----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:41:19]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.703576780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.072754080000002 Atomic positions (fractional): *1 Li 0.41306425081269 0.25000000000000 0.62873344109447 6.941 2 Li 0.08693574918731 0.75000000000000 0.12873344109446 6.941 3 Li 0.58693574918731 0.75000000000000 0.37126655890554 6.941 4 Li 0.91306425081269 0.25000000000000 0.87126655890553 6.941 *5 Li 0.17727919577088 0.99980241058781 0.68973660714887 6.941 6 Li 0.32272080422912 0.00019758941219 0.18973660714887 6.941 7 Li 0.82272080422912 0.49980241058781 0.31026339285113 6.941 8 Li 0.67727919577088 0.50019758941219 0.81026339285113 6.941 9 Li 0.82272080422912 0.00019758941219 0.31026339285113 6.941 10 Li 0.67727919577088 0.99980241058781 0.81026339285113 6.941 11 Li 0.17727919577088 0.50019758941219 0.68973660714887 6.941 12 Li 0.32272080422912 0.49980241058781 0.18973660714887 6.941 *13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 14 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 16 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *17 Ge 0.41126259652823 0.75000000000000 0.64717229831162 72.640 18 Ge 0.08873740347177 0.25000000000000 0.14717229831162 72.640 19 Ge 0.58873740347177 0.25000000000000 0.35282770168838 72.640 20 Ge 0.91126259652823 0.75000000000000 0.85282770168838 72.640 *21 S 0.34343423483431 0.98725275390851 0.78070244808004 32.065 22 S 0.15656576516569 0.01274724609149 0.28070244808004 32.065 23 S 0.65656576516569 0.48725275390851 0.21929755191996 32.065 24 S 0.84343423483431 0.51274724609149 0.71929755191996 32.065 25 S 0.65656576516569 0.01274724609149 0.21929755191996 32.065 26 S 0.84343423483431 0.98725275390851 0.71929755191996 32.065 27 S 0.34343423483431 0.51274724609149 0.78070244808004 32.065 28 S 0.15656576516569 0.48725275390851 0.28070244808004 32.065 *29 S 0.08466995051802 0.25000000000000 0.78294107809104 32.065 30 S 0.41533004948198 0.75000000000000 0.28294107809104 32.065 31 S 0.91533004948198 0.75000000000000 0.21705892190896 32.065 32 S 0.58466995051802 0.25000000000000 0.71705892190896 32.065 *33 S 0.06228723468470 0.75000000000000 0.72867476546133 32.065 34 S 0.43771276531530 0.25000000000000 0.22867476546133 32.065 35 S 0.93771276531530 0.25000000000000 0.27132523453867 32.065 36 S 0.56228723468470 0.75000000000000 0.77132523453867 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.703576780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.072754080000002 Atomic positions (fractional): *1 Li 0.41306425081269 0.25000000000000 0.62873344109447 6.941 > 1 2 Li 0.08693574918731 0.75000000000000 0.12873344109446 6.941 > 2 3 Li 0.58693574918731 0.75000000000000 0.37126655890554 6.941 > 3 4 Li 0.91306425081269 0.25000000000000 0.87126655890553 6.941 > 4 *5 Li 0.17727919577088 0.99980241058781 0.68973660714887 6.941 > 5 6 Li 0.32272080422912 0.00019758941219 0.18973660714887 6.941 > 6 7 Li 0.82272080422912 0.49980241058781 0.31026339285113 6.941 > 7 8 Li 0.67727919577088 0.50019758941219 0.81026339285113 6.941 > 8 9 Li 0.82272080422912 0.00019758941219 0.31026339285113 6.941 > 9 10 Li 0.67727919577088 0.99980241058781 0.81026339285113 6.941 > 10 11 Li 0.17727919577088 0.50019758941219 0.68973660714887 6.941 > 11 12 Li 0.32272080422912 0.49980241058781 0.18973660714887 6.941 > 12 *13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 13 14 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 14 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 15 16 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 16 *17 Ge 0.41126259652823 0.75000000000000 0.64717229831162 72.640 > 17 18 Ge 0.08873740347177 0.25000000000000 0.14717229831162 72.640 > 18 19 Ge 0.58873740347177 0.25000000000000 0.35282770168838 72.640 > 19 20 Ge 0.91126259652823 0.75000000000000 0.85282770168838 72.640 > 20 *21 S 0.34343423483431 0.98725275390851 0.78070244808004 32.065 > 21 22 S 0.15656576516569 0.01274724609149 0.28070244808004 32.065 > 22 23 S 0.65656576516569 0.48725275390851 0.21929755191996 32.065 > 23 24 S 0.84343423483431 0.51274724609149 0.71929755191996 32.065 > 24 25 S 0.65656576516569 0.01274724609149 0.21929755191996 32.065 > 25 26 S 0.84343423483431 0.98725275390851 0.71929755191996 32.065 > 26 27 S 0.34343423483431 0.51274724609149 0.78070244808004 32.065 > 27 28 S 0.15656576516569 0.48725275390851 0.28070244808004 32.065 > 28 *29 S 0.08466995051802 0.25000000000000 0.78294107809104 32.065 > 29 30 S 0.41533004948198 0.75000000000000 0.28294107809104 32.065 > 30 31 S 0.91533004948198 0.75000000000000 0.21705892190896 32.065 > 31 32 S 0.58466995051802 0.25000000000000 0.71705892190896 32.065 > 32 *33 S 0.06228723468470 0.75000000000000 0.72867476546133 32.065 > 33 34 S 0.43771276531530 0.25000000000000 0.22867476546133 32.065 > 34 35 S 0.93771276531530 0.25000000000000 0.27132523453867 32.065 > 35 36 S 0.56228723468470 0.75000000000000 0.77132523453867 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407153559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.145508160000004 Atomic positions (fractional): *1 Li 0.41306425081269 0.12500000000000 0.31436672054723 6.941 > 1 2 Li 0.41306425081269 0.62500000000000 0.31436672054723 6.941 > 1 3 Li 0.41306425081269 0.12500000000000 0.81436672054723 6.941 > 1 4 Li 0.41306425081269 0.62500000000000 0.81436672054723 6.941 > 1 5 Li 0.08693574918731 0.37500000000000 0.06436672054723 6.941 > 2 6 Li 0.08693574918731 0.87500000000000 0.06436672054723 6.941 > 2 7 Li 0.08693574918731 0.37500000000000 0.56436672054723 6.941 > 2 8 Li 0.08693574918731 0.87500000000000 0.56436672054723 6.941 > 2 9 Li 0.58693574918731 0.37500000000000 0.18563327945277 6.941 > 3 10 Li 0.58693574918731 0.87500000000000 0.18563327945277 6.941 > 3 11 Li 0.58693574918731 0.37500000000000 0.68563327945277 6.941 > 3 12 Li 0.58693574918731 0.87500000000000 0.68563327945277 6.941 > 3 13 Li 0.91306425081269 0.12500000000000 0.43563327945277 6.941 > 4 14 Li 0.91306425081269 0.62500000000000 0.43563327945277 6.941 > 4 15 Li 0.91306425081269 0.12500000000000 0.93563327945277 6.941 > 4 16 Li 0.91306425081269 0.62500000000000 0.93563327945277 6.941 > 4 *17 Li 0.17727919577088 0.49990120529391 0.34486830357444 6.941 > 5 18 Li 0.17727919577088 0.99990120529391 0.34486830357444 6.941 > 5 19 Li 0.17727919577088 0.49990120529391 0.84486830357444 6.941 > 5 20 Li 0.17727919577088 0.99990120529391 0.84486830357444 6.941 > 5 21 Li 0.32272080422912 0.00009879470609 0.09486830357444 6.941 > 6 22 Li 0.32272080422912 0.50009879470609 0.09486830357444 6.941 > 6 23 Li 0.32272080422912 0.00009879470609 0.59486830357444 6.941 > 6 24 Li 0.32272080422912 0.50009879470609 0.59486830357444 6.941 > 6 25 Li 0.82272080422912 0.24990120529391 0.15513169642556 6.941 > 7 26 Li 0.82272080422912 0.74990120529391 0.15513169642556 6.941 > 7 27 Li 0.82272080422912 0.24990120529391 0.65513169642556 6.941 > 7 28 Li 0.82272080422912 0.74990120529391 0.65513169642556 6.941 > 7 29 Li 0.67727919577088 0.25009879470609 0.40513169642556 6.941 > 8 30 Li 0.67727919577088 0.75009879470609 0.40513169642556 6.941 > 8 31 Li 0.67727919577088 0.25009879470609 0.90513169642556 6.941 > 8 32 Li 0.67727919577088 0.75009879470609 0.90513169642556 6.941 > 8 33 Li 0.82272080422912 0.00009879470609 0.15513169642556 6.941 > 9 34 Li 0.82272080422912 0.50009879470609 0.15513169642556 6.941 > 9 35 Li 0.82272080422912 0.00009879470609 0.65513169642556 6.941 > 9 36 Li 0.82272080422912 0.50009879470609 0.65513169642556 6.941 > 9 37 Li 0.67727919577088 0.49990120529391 0.40513169642556 6.941 > 10 38 Li 0.67727919577088 0.99990120529391 0.40513169642556 6.941 > 10 39 Li 0.67727919577088 0.49990120529391 0.90513169642556 6.941 > 10 40 Li 0.67727919577088 0.99990120529391 0.90513169642556 6.941 > 10 41 Li 0.17727919577088 0.25009879470609 0.34486830357444 6.941 > 11 42 Li 0.17727919577088 0.75009879470609 0.34486830357444 6.941 > 11 43 Li 0.17727919577088 0.25009879470609 0.84486830357444 6.941 > 11 44 Li 0.17727919577088 0.75009879470609 0.84486830357444 6.941 > 11 45 Li 0.32272080422912 0.24990120529391 0.09486830357444 6.941 > 12 46 Li 0.32272080422912 0.74990120529391 0.09486830357444 6.941 > 12 47 Li 0.32272080422912 0.24990120529391 0.59486830357444 6.941 > 12 48 Li 0.32272080422912 0.74990120529391 0.59486830357444 6.941 > 12 *49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 13 50 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 13 51 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 13 52 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 13 53 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 14 54 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 14 55 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 14 56 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 14 57 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 15 58 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 15 59 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 15 60 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 15 61 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 16 62 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 16 63 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 16 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 16 *65 Ge 0.41126259652823 0.37500000000000 0.32358614915581 72.640 > 17 66 Ge 0.41126259652823 0.87500000000000 0.32358614915581 72.640 > 17 67 Ge 0.41126259652823 0.37500000000000 0.82358614915581 72.640 > 17 68 Ge 0.41126259652823 0.87500000000000 0.82358614915581 72.640 > 17 69 Ge 0.08873740347177 0.12500000000000 0.07358614915581 72.640 > 18 70 Ge 0.08873740347177 0.62500000000000 0.07358614915581 72.640 > 18 71 Ge 0.08873740347177 0.12500000000000 0.57358614915581 72.640 > 18 72 Ge 0.08873740347177 0.62500000000000 0.57358614915581 72.640 > 18 73 Ge 0.58873740347177 0.12500000000000 0.17641385084419 72.640 > 19 74 Ge 0.58873740347177 0.62500000000000 0.17641385084419 72.640 > 19 75 Ge 0.58873740347177 0.12500000000000 0.67641385084419 72.640 > 19 76 Ge 0.58873740347177 0.62500000000000 0.67641385084419 72.640 > 19 77 Ge 0.91126259652823 0.37500000000000 0.42641385084419 72.640 > 20 78 Ge 0.91126259652823 0.87500000000000 0.42641385084419 72.640 > 20 79 Ge 0.91126259652823 0.37500000000000 0.92641385084419 72.640 > 20 80 Ge 0.91126259652823 0.87500000000000 0.92641385084419 72.640 > 20 *81 S 0.34343423483431 0.49362637695426 0.39035122404002 32.065 > 21 82 S 0.34343423483431 0.99362637695426 0.39035122404002 32.065 > 21 83 S 0.34343423483431 0.49362637695426 0.89035122404002 32.065 > 21 84 S 0.34343423483431 0.99362637695426 0.89035122404002 32.065 > 21 85 S 0.15656576516569 0.00637362304574 0.14035122404002 32.065 > 22 86 S 0.15656576516569 0.50637362304574 0.14035122404002 32.065 > 22 87 S 0.15656576516569 0.00637362304574 0.64035122404002 32.065 > 22 88 S 0.15656576516569 0.50637362304574 0.64035122404002 32.065 > 22 89 S 0.65656576516569 0.24362637695426 0.10964877595998 32.065 > 23 90 S 0.65656576516569 0.74362637695426 0.10964877595998 32.065 > 23 91 S 0.65656576516569 0.24362637695426 0.60964877595998 32.065 > 23 92 S 0.65656576516569 0.74362637695426 0.60964877595998 32.065 > 23 93 S 0.84343423483431 0.25637362304574 0.35964877595998 32.065 > 24 94 S 0.84343423483431 0.75637362304574 0.35964877595998 32.065 > 24 95 S 0.84343423483431 0.25637362304574 0.85964877595998 32.065 > 24 96 S 0.84343423483431 0.75637362304574 0.85964877595998 32.065 > 24 97 S 0.65656576516569 0.00637362304574 0.10964877595998 32.065 > 25 98 S 0.65656576516569 0.50637362304574 0.10964877595998 32.065 > 25 99 S 0.65656576516569 0.00637362304574 0.60964877595998 32.065 > 25 100 S 0.65656576516569 0.50637362304574 0.60964877595998 32.065 > 25 101 S 0.84343423483431 0.49362637695426 0.35964877595998 32.065 > 26 102 S 0.84343423483431 0.99362637695426 0.35964877595998 32.065 > 26 103 S 0.84343423483431 0.49362637695426 0.85964877595998 32.065 > 26 104 S 0.84343423483431 0.99362637695426 0.85964877595998 32.065 > 26 105 S 0.34343423483431 0.25637362304574 0.39035122404002 32.065 > 27 106 S 0.34343423483431 0.75637362304574 0.39035122404002 32.065 > 27 107 S 0.34343423483431 0.25637362304574 0.89035122404002 32.065 > 27 108 S 0.34343423483431 0.75637362304574 0.89035122404002 32.065 > 27 109 S 0.15656576516569 0.24362637695426 0.14035122404002 32.065 > 28 110 S 0.15656576516569 0.74362637695426 0.14035122404002 32.065 > 28 111 S 0.15656576516569 0.24362637695426 0.64035122404002 32.065 > 28 112 S 0.15656576516569 0.74362637695426 0.64035122404002 32.065 > 28 *113 S 0.08466995051802 0.12500000000000 0.39147053904552 32.065 > 29 114 S 0.08466995051802 0.62500000000000 0.39147053904552 32.065 > 29 115 S 0.08466995051802 0.12500000000000 0.89147053904552 32.065 > 29 116 S 0.08466995051802 0.62500000000000 0.89147053904552 32.065 > 29 117 S 0.41533004948198 0.37500000000000 0.14147053904552 32.065 > 30 118 S 0.41533004948198 0.87500000000000 0.14147053904552 32.065 > 30 119 S 0.41533004948198 0.37500000000000 0.64147053904552 32.065 > 30 120 S 0.41533004948198 0.87500000000000 0.64147053904552 32.065 > 30 121 S 0.91533004948198 0.37500000000000 0.10852946095448 32.065 > 31 122 S 0.91533004948198 0.87500000000000 0.10852946095448 32.065 > 31 123 S 0.91533004948198 0.37500000000000 0.60852946095448 32.065 > 31 124 S 0.91533004948198 0.87500000000000 0.60852946095448 32.065 > 31 125 S 0.58466995051802 0.12500000000000 0.35852946095448 32.065 > 32 126 S 0.58466995051802 0.62500000000000 0.35852946095448 32.065 > 32 127 S 0.58466995051802 0.12500000000000 0.85852946095448 32.065 > 32 128 S 0.58466995051802 0.62500000000000 0.85852946095448 32.065 > 32 *129 S 0.06228723468470 0.37500000000000 0.36433738273067 32.065 > 33 130 S 0.06228723468470 0.87500000000000 0.36433738273067 32.065 > 33 131 S 0.06228723468470 0.37500000000000 0.86433738273067 32.065 > 33 132 S 0.06228723468470 0.87500000000000 0.86433738273067 32.065 > 33 133 S 0.43771276531530 0.12500000000000 0.11433738273067 32.065 > 34 134 S 0.43771276531530 0.62500000000000 0.11433738273067 32.065 > 34 135 S 0.43771276531530 0.12500000000000 0.61433738273067 32.065 > 34 136 S 0.43771276531530 0.62500000000000 0.61433738273067 32.065 > 34 137 S 0.93771276531530 0.12500000000000 0.13566261726933 32.065 > 35 138 S 0.93771276531530 0.62500000000000 0.13566261726933 32.065 > 35 139 S 0.93771276531530 0.12500000000000 0.63566261726933 32.065 > 35 140 S 0.93771276531530 0.62500000000000 0.63566261726933 32.065 > 35 141 S 0.56228723468470 0.37500000000000 0.38566261726933 32.065 > 36 142 S 0.56228723468470 0.87500000000000 0.38566261726933 32.065 > 36 143 S 0.56228723468470 0.37500000000000 0.88566261726933 32.065 > 36 144 S 0.56228723468470 0.87500000000000 0.88566261726933 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2489905 0.0000000 0.0000000 0.0000000 4.4981702 0.0000000 0.0000000 0.0000000 4.9432579 -------------------------- Born effective charges -------------------------- 1 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 2 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 3 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 4 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 5 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 6 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 7 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 8 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 9 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 10 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 11 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 12 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 13 Li 0.8752089 0.2374233 -0.1223931 0.2111047 1.1702577 -0.1481062 0.0476860 0.1328986 1.3742586 14 Li 0.8752089 0.2374233 0.1223931 0.2111047 1.1702577 0.1481062 -0.0476860 -0.1328986 1.3742586 15 Li 0.8752089 -0.2374233 -0.1223931 -0.2111047 1.1702577 0.1481062 0.0476860 -0.1328986 1.3742586 16 Li 0.8752089 -0.2374233 0.1223931 -0.2111047 1.1702577 -0.1481062 -0.0476860 0.1328986 1.3742586 17 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 18 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 19 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 20 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 21 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 22 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 23 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 24 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 25 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 26 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 27 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 28 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 29 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 30 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 31 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 32 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 33 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 34 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 35 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 36 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3092 Number of blocks in projector: 3092 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: 714 Use submatrix version of eigh solver. (1) Block: 500 / 714 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 714 / 714 (1) 205 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 402 Use standard eigh solver. Tree of FC basis block matrices: - (3092, 3045), data: False |-- (402, 395), data: True |-- (402, 395), data: True |-- (402, 395), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (714, 700), data: False |-- (714, 9), data: (714, 23) @ (23, 9) |-- (214, 205), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.028 Solver_block: 100 / 560 - Time: 1.250 Solver_block: 200 / 560 - Time: 1.218 Solver_block: 300 / 560 - Time: 1.436 Solver_block: 400 / 560 - Time: 1.136 Solver_block: 500 / 560 - Time: 1.209 Solver_block: 560 / 560 - Time: 0.739 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.569 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3092 Number of blocks in projector: 3092 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: 714 Use submatrix version of eigh solver. (1) Block: 500 / 714 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 714 / 714 (1) 205 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 402 Use standard eigh solver. Tree of FC basis block matrices: - (3092, 3045), data: False |-- (402, 395), data: True |-- (402, 395), data: True |-- (402, 395), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (714, 700), data: False |-- (714, 9), data: (714, 23) @ (23, 9) |-- (214, 205), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:42:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:42:12]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.703576780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.072754080000002 Atomic positions (fractional): 1 Li 0.41306425081269 0.25000000000000 0.62873344109447 6.941 2 Li 0.08693574918731 0.75000000000000 0.12873344109446 6.941 3 Li 0.58693574918731 0.75000000000000 0.37126655890554 6.941 4 Li 0.91306425081269 0.25000000000000 0.87126655890553 6.941 5 Li 0.17727919577088 0.99980241058781 0.68973660714887 6.941 6 Li 0.32272080422912 0.00019758941219 0.18973660714887 6.941 7 Li 0.82272080422912 0.49980241058781 0.31026339285113 6.941 8 Li 0.67727919577088 0.50019758941219 0.81026339285113 6.941 9 Li 0.82272080422912 0.00019758941219 0.31026339285113 6.941 10 Li 0.67727919577088 0.99980241058781 0.81026339285113 6.941 11 Li 0.17727919577088 0.50019758941219 0.68973660714887 6.941 12 Li 0.32272080422912 0.49980241058781 0.18973660714887 6.941 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 14 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 16 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 17 Ge 0.41126259652823 0.75000000000000 0.64717229831162 72.640 18 Ge 0.08873740347177 0.25000000000000 0.14717229831162 72.640 19 Ge 0.58873740347177 0.25000000000000 0.35282770168838 72.640 20 Ge 0.91126259652823 0.75000000000000 0.85282770168838 72.640 21 S 0.34343423483431 0.98725275390851 0.78070244808004 32.065 22 S 0.15656576516569 0.01274724609149 0.28070244808004 32.065 23 S 0.65656576516569 0.48725275390851 0.21929755191996 32.065 24 S 0.84343423483431 0.51274724609149 0.71929755191996 32.065 25 S 0.65656576516569 0.01274724609149 0.21929755191996 32.065 26 S 0.84343423483431 0.98725275390851 0.71929755191996 32.065 27 S 0.34343423483431 0.51274724609149 0.78070244808004 32.065 28 S 0.15656576516569 0.48725275390851 0.28070244808004 32.065 29 S 0.08466995051802 0.25000000000000 0.78294107809104 32.065 30 S 0.41533004948198 0.75000000000000 0.28294107809104 32.065 31 S 0.91533004948198 0.75000000000000 0.21705892190896 32.065 32 S 0.58466995051802 0.25000000000000 0.71705892190896 32.065 33 S 0.06228723468470 0.75000000000000 0.72867476546133 32.065 34 S 0.43771276531530 0.25000000000000 0.22867476546133 32.065 35 S 0.93771276531530 0.25000000000000 0.27132523453867 32.065 36 S 0.56228723468470 0.75000000000000 0.77132523453867 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407153559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.145508160000004 Atomic positions (fractional): 1 Li 0.41306425081269 0.12500000000000 0.31436672054723 6.941 > 1 2 Li 0.41306425081269 0.62500000000000 0.31436672054723 6.941 > 1 3 Li 0.41306425081269 0.12500000000000 0.81436672054723 6.941 > 1 4 Li 0.41306425081269 0.62500000000000 0.81436672054723 6.941 > 1 5 Li 0.08693574918731 0.37500000000000 0.06436672054723 6.941 > 5 6 Li 0.08693574918731 0.87500000000000 0.06436672054723 6.941 > 5 7 Li 0.08693574918731 0.37500000000000 0.56436672054723 6.941 > 5 8 Li 0.08693574918731 0.87500000000000 0.56436672054723 6.941 > 5 9 Li 0.58693574918731 0.37500000000000 0.18563327945277 6.941 > 9 10 Li 0.58693574918731 0.87500000000000 0.18563327945277 6.941 > 9 11 Li 0.58693574918731 0.37500000000000 0.68563327945277 6.941 > 9 12 Li 0.58693574918731 0.87500000000000 0.68563327945277 6.941 > 9 13 Li 0.91306425081269 0.12500000000000 0.43563327945277 6.941 > 13 14 Li 0.91306425081269 0.62500000000000 0.43563327945277 6.941 > 13 15 Li 0.91306425081269 0.12500000000000 0.93563327945277 6.941 > 13 16 Li 0.91306425081269 0.62500000000000 0.93563327945277 6.941 > 13 17 Li 0.17727919577088 0.49990120529391 0.34486830357444 6.941 > 17 18 Li 0.17727919577088 0.99990120529391 0.34486830357444 6.941 > 17 19 Li 0.17727919577088 0.49990120529391 0.84486830357444 6.941 > 17 20 Li 0.17727919577088 0.99990120529391 0.84486830357444 6.941 > 17 21 Li 0.32272080422912 0.00009879470609 0.09486830357444 6.941 > 21 22 Li 0.32272080422912 0.50009879470609 0.09486830357444 6.941 > 21 23 Li 0.32272080422912 0.00009879470609 0.59486830357444 6.941 > 21 24 Li 0.32272080422912 0.50009879470609 0.59486830357444 6.941 > 21 25 Li 0.82272080422912 0.24990120529391 0.15513169642556 6.941 > 25 26 Li 0.82272080422912 0.74990120529391 0.15513169642556 6.941 > 25 27 Li 0.82272080422912 0.24990120529391 0.65513169642556 6.941 > 25 28 Li 0.82272080422912 0.74990120529391 0.65513169642556 6.941 > 25 29 Li 0.67727919577088 0.25009879470609 0.40513169642556 6.941 > 29 30 Li 0.67727919577088 0.75009879470609 0.40513169642556 6.941 > 29 31 Li 0.67727919577088 0.25009879470609 0.90513169642556 6.941 > 29 32 Li 0.67727919577088 0.75009879470609 0.90513169642556 6.941 > 29 33 Li 0.82272080422912 0.00009879470609 0.15513169642556 6.941 > 33 34 Li 0.82272080422912 0.50009879470609 0.15513169642556 6.941 > 33 35 Li 0.82272080422912 0.00009879470609 0.65513169642556 6.941 > 33 36 Li 0.82272080422912 0.50009879470609 0.65513169642556 6.941 > 33 37 Li 0.67727919577088 0.49990120529391 0.40513169642556 6.941 > 37 38 Li 0.67727919577088 0.99990120529391 0.40513169642556 6.941 > 37 39 Li 0.67727919577088 0.49990120529391 0.90513169642556 6.941 > 37 40 Li 0.67727919577088 0.99990120529391 0.90513169642556 6.941 > 37 41 Li 0.17727919577088 0.25009879470609 0.34486830357444 6.941 > 41 42 Li 0.17727919577088 0.75009879470609 0.34486830357444 6.941 > 41 43 Li 0.17727919577088 0.25009879470609 0.84486830357444 6.941 > 41 44 Li 0.17727919577088 0.75009879470609 0.84486830357444 6.941 > 41 45 Li 0.32272080422912 0.24990120529391 0.09486830357444 6.941 > 45 46 Li 0.32272080422912 0.74990120529391 0.09486830357444 6.941 > 45 47 Li 0.32272080422912 0.24990120529391 0.59486830357444 6.941 > 45 48 Li 0.32272080422912 0.74990120529391 0.59486830357444 6.941 > 45 49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 49 50 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 49 51 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 49 52 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 49 53 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 53 54 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 53 55 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 53 56 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 53 57 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 57 58 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 57 59 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 57 60 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 57 61 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 61 62 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 61 63 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 61 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 61 65 Ge 0.41126259652823 0.37500000000000 0.32358614915581 72.640 > 65 66 Ge 0.41126259652823 0.87500000000000 0.32358614915581 72.640 > 65 67 Ge 0.41126259652823 0.37500000000000 0.82358614915581 72.640 > 65 68 Ge 0.41126259652823 0.87500000000000 0.82358614915581 72.640 > 65 69 Ge 0.08873740347177 0.12500000000000 0.07358614915581 72.640 > 69 70 Ge 0.08873740347177 0.62500000000000 0.07358614915581 72.640 > 69 71 Ge 0.08873740347177 0.12500000000000 0.57358614915581 72.640 > 69 72 Ge 0.08873740347177 0.62500000000000 0.57358614915581 72.640 > 69 73 Ge 0.58873740347177 0.12500000000000 0.17641385084419 72.640 > 73 74 Ge 0.58873740347177 0.62500000000000 0.17641385084419 72.640 > 73 75 Ge 0.58873740347177 0.12500000000000 0.67641385084419 72.640 > 73 76 Ge 0.58873740347177 0.62500000000000 0.67641385084419 72.640 > 73 77 Ge 0.91126259652823 0.37500000000000 0.42641385084419 72.640 > 77 78 Ge 0.91126259652823 0.87500000000000 0.42641385084419 72.640 > 77 79 Ge 0.91126259652823 0.37500000000000 0.92641385084419 72.640 > 77 80 Ge 0.91126259652823 0.87500000000000 0.92641385084419 72.640 > 77 81 S 0.34343423483431 0.49362637695426 0.39035122404002 32.065 > 81 82 S 0.34343423483431 0.99362637695426 0.39035122404002 32.065 > 81 83 S 0.34343423483431 0.49362637695426 0.89035122404002 32.065 > 81 84 S 0.34343423483431 0.99362637695426 0.89035122404002 32.065 > 81 85 S 0.15656576516569 0.00637362304574 0.14035122404002 32.065 > 85 86 S 0.15656576516569 0.50637362304574 0.14035122404002 32.065 > 85 87 S 0.15656576516569 0.00637362304574 0.64035122404002 32.065 > 85 88 S 0.15656576516569 0.50637362304574 0.64035122404002 32.065 > 85 89 S 0.65656576516569 0.24362637695426 0.10964877595998 32.065 > 89 90 S 0.65656576516569 0.74362637695426 0.10964877595998 32.065 > 89 91 S 0.65656576516569 0.24362637695426 0.60964877595998 32.065 > 89 92 S 0.65656576516569 0.74362637695426 0.60964877595998 32.065 > 89 93 S 0.84343423483431 0.25637362304574 0.35964877595998 32.065 > 93 94 S 0.84343423483431 0.75637362304574 0.35964877595998 32.065 > 93 95 S 0.84343423483431 0.25637362304574 0.85964877595998 32.065 > 93 96 S 0.84343423483431 0.75637362304574 0.85964877595998 32.065 > 93 97 S 0.65656576516569 0.00637362304574 0.10964877595998 32.065 > 97 98 S 0.65656576516569 0.50637362304574 0.10964877595998 32.065 > 97 99 S 0.65656576516569 0.00637362304574 0.60964877595998 32.065 > 97 100 S 0.65656576516569 0.50637362304574 0.60964877595998 32.065 > 97 101 S 0.84343423483431 0.49362637695426 0.35964877595998 32.065 > 101 102 S 0.84343423483431 0.99362637695426 0.35964877595998 32.065 > 101 103 S 0.84343423483431 0.49362637695426 0.85964877595998 32.065 > 101 104 S 0.84343423483431 0.99362637695426 0.85964877595998 32.065 > 101 105 S 0.34343423483431 0.25637362304574 0.39035122404002 32.065 > 105 106 S 0.34343423483431 0.75637362304574 0.39035122404002 32.065 > 105 107 S 0.34343423483431 0.25637362304574 0.89035122404002 32.065 > 105 108 S 0.34343423483431 0.75637362304574 0.89035122404002 32.065 > 105 109 S 0.15656576516569 0.24362637695426 0.14035122404002 32.065 > 109 110 S 0.15656576516569 0.74362637695426 0.14035122404002 32.065 > 109 111 S 0.15656576516569 0.24362637695426 0.64035122404002 32.065 > 109 112 S 0.15656576516569 0.74362637695426 0.64035122404002 32.065 > 109 113 S 0.08466995051802 0.12500000000000 0.39147053904552 32.065 > 113 114 S 0.08466995051802 0.62500000000000 0.39147053904552 32.065 > 113 115 S 0.08466995051802 0.12500000000000 0.89147053904552 32.065 > 113 116 S 0.08466995051802 0.62500000000000 0.89147053904552 32.065 > 113 117 S 0.41533004948198 0.37500000000000 0.14147053904552 32.065 > 117 118 S 0.41533004948198 0.87500000000000 0.14147053904552 32.065 > 117 119 S 0.41533004948198 0.37500000000000 0.64147053904552 32.065 > 117 120 S 0.41533004948198 0.87500000000000 0.64147053904552 32.065 > 117 121 S 0.91533004948198 0.37500000000000 0.10852946095448 32.065 > 121 122 S 0.91533004948198 0.87500000000000 0.10852946095448 32.065 > 121 123 S 0.91533004948198 0.37500000000000 0.60852946095448 32.065 > 121 124 S 0.91533004948198 0.87500000000000 0.60852946095448 32.065 > 121 125 S 0.58466995051802 0.12500000000000 0.35852946095448 32.065 > 125 126 S 0.58466995051802 0.62500000000000 0.35852946095448 32.065 > 125 127 S 0.58466995051802 0.12500000000000 0.85852946095448 32.065 > 125 128 S 0.58466995051802 0.62500000000000 0.85852946095448 32.065 > 125 129 S 0.06228723468470 0.37500000000000 0.36433738273067 32.065 > 129 130 S 0.06228723468470 0.87500000000000 0.36433738273067 32.065 > 129 131 S 0.06228723468470 0.37500000000000 0.86433738273067 32.065 > 129 132 S 0.06228723468470 0.87500000000000 0.86433738273067 32.065 > 129 133 S 0.43771276531530 0.12500000000000 0.11433738273067 32.065 > 133 134 S 0.43771276531530 0.62500000000000 0.11433738273067 32.065 > 133 135 S 0.43771276531530 0.12500000000000 0.61433738273067 32.065 > 133 136 S 0.43771276531530 0.62500000000000 0.61433738273067 32.065 > 133 137 S 0.93771276531530 0.12500000000000 0.13566261726933 32.065 > 137 138 S 0.93771276531530 0.62500000000000 0.13566261726933 32.065 > 137 139 S 0.93771276531530 0.12500000000000 0.63566261726933 32.065 > 137 140 S 0.93771276531530 0.62500000000000 0.63566261726933 32.065 > 137 141 S 0.56228723468470 0.37500000000000 0.38566261726933 32.065 > 141 142 S 0.56228723468470 0.87500000000000 0.38566261726933 32.065 > 141 143 S 0.56228723468470 0.37500000000000 0.88566261726933 32.065 > 141 144 S 0.56228723468470 0.87500000000000 0.88566261726933 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2489905 0.0000000 0.0000000 0.0000000 4.4981702 0.0000000 0.0000000 0.0000000 4.9432579 -------------------------- Born effective charges -------------------------- 1 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 2 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 3 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 4 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 5 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 6 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 7 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 8 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 9 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 10 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 11 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 12 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 13 Li 0.8752089 0.2374233 -0.1223931 0.2111047 1.1702577 -0.1481062 0.0476860 0.1328986 1.3742586 14 Li 0.8752089 0.2374233 0.1223931 0.2111047 1.1702577 0.1481062 -0.0476860 -0.1328986 1.3742586 15 Li 0.8752089 -0.2374233 -0.1223931 -0.2111047 1.1702577 0.1481062 0.0476860 -0.1328986 1.3742586 16 Li 0.8752089 -0.2374233 0.1223931 -0.2111047 1.1702577 -0.1481062 -0.0476860 0.1328986 1.3742586 17 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 18 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 19 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 20 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 21 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 22 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 23 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 24 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 25 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 26 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 27 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 28 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 29 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 30 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 31 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 32 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 33 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 34 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 35 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 36 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 08:42:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:42:55]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.703576780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.072754080000002 Atomic positions (fractional): 1 Li 0.41306425081269 0.25000000000000 0.62873344109447 6.941 2 Li 0.08693574918731 0.75000000000000 0.12873344109446 6.941 3 Li 0.58693574918731 0.75000000000000 0.37126655890554 6.941 4 Li 0.91306425081269 0.25000000000000 0.87126655890553 6.941 5 Li 0.17727919577088 0.99980241058781 0.68973660714887 6.941 6 Li 0.32272080422912 0.00019758941219 0.18973660714887 6.941 7 Li 0.82272080422912 0.49980241058781 0.31026339285113 6.941 8 Li 0.67727919577088 0.50019758941219 0.81026339285113 6.941 9 Li 0.82272080422912 0.00019758941219 0.31026339285113 6.941 10 Li 0.67727919577088 0.99980241058781 0.81026339285113 6.941 11 Li 0.17727919577088 0.50019758941219 0.68973660714887 6.941 12 Li 0.32272080422912 0.49980241058781 0.18973660714887 6.941 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 14 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 16 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 17 Ge 0.41126259652823 0.75000000000000 0.64717229831162 72.640 18 Ge 0.08873740347177 0.25000000000000 0.14717229831162 72.640 19 Ge 0.58873740347177 0.25000000000000 0.35282770168838 72.640 20 Ge 0.91126259652823 0.75000000000000 0.85282770168838 72.640 21 S 0.34343423483431 0.98725275390851 0.78070244808004 32.065 22 S 0.15656576516569 0.01274724609149 0.28070244808004 32.065 23 S 0.65656576516569 0.48725275390851 0.21929755191996 32.065 24 S 0.84343423483431 0.51274724609149 0.71929755191996 32.065 25 S 0.65656576516569 0.01274724609149 0.21929755191996 32.065 26 S 0.84343423483431 0.98725275390851 0.71929755191996 32.065 27 S 0.34343423483431 0.51274724609149 0.78070244808004 32.065 28 S 0.15656576516569 0.48725275390851 0.28070244808004 32.065 29 S 0.08466995051802 0.25000000000000 0.78294107809104 32.065 30 S 0.41533004948198 0.75000000000000 0.28294107809104 32.065 31 S 0.91533004948198 0.75000000000000 0.21705892190896 32.065 32 S 0.58466995051802 0.25000000000000 0.71705892190896 32.065 33 S 0.06228723468470 0.75000000000000 0.72867476546133 32.065 34 S 0.43771276531530 0.25000000000000 0.22867476546133 32.065 35 S 0.93771276531530 0.25000000000000 0.27132523453867 32.065 36 S 0.56228723468470 0.75000000000000 0.77132523453867 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.025618350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407153559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.145508160000004 Atomic positions (fractional): 1 Li 0.41306425081269 0.12500000000000 0.31436672054723 6.941 > 1 2 Li 0.41306425081269 0.62500000000000 0.31436672054723 6.941 > 1 3 Li 0.41306425081269 0.12500000000000 0.81436672054723 6.941 > 1 4 Li 0.41306425081269 0.62500000000000 0.81436672054723 6.941 > 1 5 Li 0.08693574918731 0.37500000000000 0.06436672054723 6.941 > 5 6 Li 0.08693574918731 0.87500000000000 0.06436672054723 6.941 > 5 7 Li 0.08693574918731 0.37500000000000 0.56436672054723 6.941 > 5 8 Li 0.08693574918731 0.87500000000000 0.56436672054723 6.941 > 5 9 Li 0.58693574918731 0.37500000000000 0.18563327945277 6.941 > 9 10 Li 0.58693574918731 0.87500000000000 0.18563327945277 6.941 > 9 11 Li 0.58693574918731 0.37500000000000 0.68563327945277 6.941 > 9 12 Li 0.58693574918731 0.87500000000000 0.68563327945277 6.941 > 9 13 Li 0.91306425081269 0.12500000000000 0.43563327945277 6.941 > 13 14 Li 0.91306425081269 0.62500000000000 0.43563327945277 6.941 > 13 15 Li 0.91306425081269 0.12500000000000 0.93563327945277 6.941 > 13 16 Li 0.91306425081269 0.62500000000000 0.93563327945277 6.941 > 13 17 Li 0.17727919577088 0.49990120529391 0.34486830357444 6.941 > 17 18 Li 0.17727919577088 0.99990120529391 0.34486830357444 6.941 > 17 19 Li 0.17727919577088 0.49990120529391 0.84486830357444 6.941 > 17 20 Li 0.17727919577088 0.99990120529391 0.84486830357444 6.941 > 17 21 Li 0.32272080422912 0.00009879470609 0.09486830357444 6.941 > 21 22 Li 0.32272080422912 0.50009879470609 0.09486830357444 6.941 > 21 23 Li 0.32272080422912 0.00009879470609 0.59486830357444 6.941 > 21 24 Li 0.32272080422912 0.50009879470609 0.59486830357444 6.941 > 21 25 Li 0.82272080422912 0.24990120529391 0.15513169642556 6.941 > 25 26 Li 0.82272080422912 0.74990120529391 0.15513169642556 6.941 > 25 27 Li 0.82272080422912 0.24990120529391 0.65513169642556 6.941 > 25 28 Li 0.82272080422912 0.74990120529391 0.65513169642556 6.941 > 25 29 Li 0.67727919577088 0.25009879470609 0.40513169642556 6.941 > 29 30 Li 0.67727919577088 0.75009879470609 0.40513169642556 6.941 > 29 31 Li 0.67727919577088 0.25009879470609 0.90513169642556 6.941 > 29 32 Li 0.67727919577088 0.75009879470609 0.90513169642556 6.941 > 29 33 Li 0.82272080422912 0.00009879470609 0.15513169642556 6.941 > 33 34 Li 0.82272080422912 0.50009879470609 0.15513169642556 6.941 > 33 35 Li 0.82272080422912 0.00009879470609 0.65513169642556 6.941 > 33 36 Li 0.82272080422912 0.50009879470609 0.65513169642556 6.941 > 33 37 Li 0.67727919577088 0.49990120529391 0.40513169642556 6.941 > 37 38 Li 0.67727919577088 0.99990120529391 0.40513169642556 6.941 > 37 39 Li 0.67727919577088 0.49990120529391 0.90513169642556 6.941 > 37 40 Li 0.67727919577088 0.99990120529391 0.90513169642556 6.941 > 37 41 Li 0.17727919577088 0.25009879470609 0.34486830357444 6.941 > 41 42 Li 0.17727919577088 0.75009879470609 0.34486830357444 6.941 > 41 43 Li 0.17727919577088 0.25009879470609 0.84486830357444 6.941 > 41 44 Li 0.17727919577088 0.75009879470609 0.84486830357444 6.941 > 41 45 Li 0.32272080422912 0.24990120529391 0.09486830357444 6.941 > 45 46 Li 0.32272080422912 0.74990120529391 0.09486830357444 6.941 > 45 47 Li 0.32272080422912 0.24990120529391 0.59486830357444 6.941 > 45 48 Li 0.32272080422912 0.74990120529391 0.59486830357444 6.941 > 45 49 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 49 50 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 49 51 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 49 52 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 49 53 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 53 54 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 53 55 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 53 56 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 53 57 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 57 58 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 57 59 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 57 60 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 57 61 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 61 62 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 61 63 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 61 64 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 61 65 Ge 0.41126259652823 0.37500000000000 0.32358614915581 72.640 > 65 66 Ge 0.41126259652823 0.87500000000000 0.32358614915581 72.640 > 65 67 Ge 0.41126259652823 0.37500000000000 0.82358614915581 72.640 > 65 68 Ge 0.41126259652823 0.87500000000000 0.82358614915581 72.640 > 65 69 Ge 0.08873740347177 0.12500000000000 0.07358614915581 72.640 > 69 70 Ge 0.08873740347177 0.62500000000000 0.07358614915581 72.640 > 69 71 Ge 0.08873740347177 0.12500000000000 0.57358614915581 72.640 > 69 72 Ge 0.08873740347177 0.62500000000000 0.57358614915581 72.640 > 69 73 Ge 0.58873740347177 0.12500000000000 0.17641385084419 72.640 > 73 74 Ge 0.58873740347177 0.62500000000000 0.17641385084419 72.640 > 73 75 Ge 0.58873740347177 0.12500000000000 0.67641385084419 72.640 > 73 76 Ge 0.58873740347177 0.62500000000000 0.67641385084419 72.640 > 73 77 Ge 0.91126259652823 0.37500000000000 0.42641385084419 72.640 > 77 78 Ge 0.91126259652823 0.87500000000000 0.42641385084419 72.640 > 77 79 Ge 0.91126259652823 0.37500000000000 0.92641385084419 72.640 > 77 80 Ge 0.91126259652823 0.87500000000000 0.92641385084419 72.640 > 77 81 S 0.34343423483431 0.49362637695426 0.39035122404002 32.065 > 81 82 S 0.34343423483431 0.99362637695426 0.39035122404002 32.065 > 81 83 S 0.34343423483431 0.49362637695426 0.89035122404002 32.065 > 81 84 S 0.34343423483431 0.99362637695426 0.89035122404002 32.065 > 81 85 S 0.15656576516569 0.00637362304574 0.14035122404002 32.065 > 85 86 S 0.15656576516569 0.50637362304574 0.14035122404002 32.065 > 85 87 S 0.15656576516569 0.00637362304574 0.64035122404002 32.065 > 85 88 S 0.15656576516569 0.50637362304574 0.64035122404002 32.065 > 85 89 S 0.65656576516569 0.24362637695426 0.10964877595998 32.065 > 89 90 S 0.65656576516569 0.74362637695426 0.10964877595998 32.065 > 89 91 S 0.65656576516569 0.24362637695426 0.60964877595998 32.065 > 89 92 S 0.65656576516569 0.74362637695426 0.60964877595998 32.065 > 89 93 S 0.84343423483431 0.25637362304574 0.35964877595998 32.065 > 93 94 S 0.84343423483431 0.75637362304574 0.35964877595998 32.065 > 93 95 S 0.84343423483431 0.25637362304574 0.85964877595998 32.065 > 93 96 S 0.84343423483431 0.75637362304574 0.85964877595998 32.065 > 93 97 S 0.65656576516569 0.00637362304574 0.10964877595998 32.065 > 97 98 S 0.65656576516569 0.50637362304574 0.10964877595998 32.065 > 97 99 S 0.65656576516569 0.00637362304574 0.60964877595998 32.065 > 97 100 S 0.65656576516569 0.50637362304574 0.60964877595998 32.065 > 97 101 S 0.84343423483431 0.49362637695426 0.35964877595998 32.065 > 101 102 S 0.84343423483431 0.99362637695426 0.35964877595998 32.065 > 101 103 S 0.84343423483431 0.49362637695426 0.85964877595998 32.065 > 101 104 S 0.84343423483431 0.99362637695426 0.85964877595998 32.065 > 101 105 S 0.34343423483431 0.25637362304574 0.39035122404002 32.065 > 105 106 S 0.34343423483431 0.75637362304574 0.39035122404002 32.065 > 105 107 S 0.34343423483431 0.25637362304574 0.89035122404002 32.065 > 105 108 S 0.34343423483431 0.75637362304574 0.89035122404002 32.065 > 105 109 S 0.15656576516569 0.24362637695426 0.14035122404002 32.065 > 109 110 S 0.15656576516569 0.74362637695426 0.14035122404002 32.065 > 109 111 S 0.15656576516569 0.24362637695426 0.64035122404002 32.065 > 109 112 S 0.15656576516569 0.74362637695426 0.64035122404002 32.065 > 109 113 S 0.08466995051802 0.12500000000000 0.39147053904552 32.065 > 113 114 S 0.08466995051802 0.62500000000000 0.39147053904552 32.065 > 113 115 S 0.08466995051802 0.12500000000000 0.89147053904552 32.065 > 113 116 S 0.08466995051802 0.62500000000000 0.89147053904552 32.065 > 113 117 S 0.41533004948198 0.37500000000000 0.14147053904552 32.065 > 117 118 S 0.41533004948198 0.87500000000000 0.14147053904552 32.065 > 117 119 S 0.41533004948198 0.37500000000000 0.64147053904552 32.065 > 117 120 S 0.41533004948198 0.87500000000000 0.64147053904552 32.065 > 117 121 S 0.91533004948198 0.37500000000000 0.10852946095448 32.065 > 121 122 S 0.91533004948198 0.87500000000000 0.10852946095448 32.065 > 121 123 S 0.91533004948198 0.37500000000000 0.60852946095448 32.065 > 121 124 S 0.91533004948198 0.87500000000000 0.60852946095448 32.065 > 121 125 S 0.58466995051802 0.12500000000000 0.35852946095448 32.065 > 125 126 S 0.58466995051802 0.62500000000000 0.35852946095448 32.065 > 125 127 S 0.58466995051802 0.12500000000000 0.85852946095448 32.065 > 125 128 S 0.58466995051802 0.62500000000000 0.85852946095448 32.065 > 125 129 S 0.06228723468470 0.37500000000000 0.36433738273067 32.065 > 129 130 S 0.06228723468470 0.87500000000000 0.36433738273067 32.065 > 129 131 S 0.06228723468470 0.37500000000000 0.86433738273067 32.065 > 129 132 S 0.06228723468470 0.87500000000000 0.86433738273067 32.065 > 129 133 S 0.43771276531530 0.12500000000000 0.11433738273067 32.065 > 133 134 S 0.43771276531530 0.62500000000000 0.11433738273067 32.065 > 133 135 S 0.43771276531530 0.12500000000000 0.61433738273067 32.065 > 133 136 S 0.43771276531530 0.62500000000000 0.61433738273067 32.065 > 133 137 S 0.93771276531530 0.12500000000000 0.13566261726933 32.065 > 137 138 S 0.93771276531530 0.62500000000000 0.13566261726933 32.065 > 137 139 S 0.93771276531530 0.12500000000000 0.63566261726933 32.065 > 137 140 S 0.93771276531530 0.62500000000000 0.63566261726933 32.065 > 137 141 S 0.56228723468470 0.37500000000000 0.38566261726933 32.065 > 141 142 S 0.56228723468470 0.87500000000000 0.38566261726933 32.065 > 141 143 S 0.56228723468470 0.37500000000000 0.88566261726933 32.065 > 141 144 S 0.56228723468470 0.87500000000000 0.88566261726933 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2489905 0.0000000 0.0000000 0.0000000 4.4981702 0.0000000 0.0000000 0.0000000 4.9432579 -------------------------- Born effective charges -------------------------- 1 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 2 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 3 Li 0.8363571 0.0000000 -0.1007214 0.0000000 1.1439460 0.0000000 -0.1999048 0.0000000 0.9492708 4 Li 0.8363571 0.0000000 0.1007214 0.0000000 1.1439460 0.0000000 0.1999048 0.0000000 0.9492708 5 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 6 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 7 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 8 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 9 Li 1.2998303 0.1687608 0.0929878 -0.1239780 0.9025970 -0.1337753 -0.0907736 0.1176931 1.0614869 10 Li 1.2998303 0.1687608 -0.0929878 -0.1239780 0.9025970 0.1337753 0.0907736 -0.1176931 1.0614869 11 Li 1.2998303 -0.1687608 0.0929878 0.1239780 0.9025970 0.1337753 -0.0907736 -0.1176931 1.0614869 12 Li 1.2998303 -0.1687608 -0.0929878 0.1239780 0.9025970 -0.1337753 0.0907736 0.1176931 1.0614869 13 Li 0.8752089 0.2374233 -0.1223931 0.2111047 1.1702577 -0.1481062 0.0476860 0.1328986 1.3742586 14 Li 0.8752089 0.2374233 0.1223931 0.2111047 1.1702577 0.1481062 -0.0476860 -0.1328986 1.3742586 15 Li 0.8752089 -0.2374233 -0.1223931 -0.2111047 1.1702577 0.1481062 0.0476860 -0.1328986 1.3742586 16 Li 0.8752089 -0.2374233 0.1223931 -0.2111047 1.1702577 -0.1481062 -0.0476860 0.1328986 1.3742586 17 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 18 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 19 Ge 2.1548299 0.0000000 -0.0651802 0.0000000 2.6533380 0.0000000 0.0056863 0.0000000 2.8257153 20 Ge 2.1548299 0.0000000 0.0651802 0.0000000 2.6533380 0.0000000 -0.0056863 0.0000000 2.8257153 21 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 22 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 23 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 24 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 25 S -1.5485039 0.2667541 0.0560118 0.4390967 -1.9568727 -0.3206155 0.1072354 -0.2477082 -1.6741938 26 S -1.5485039 0.2667541 -0.0560118 0.4390967 -1.9568727 0.3206155 -0.1072354 0.2477082 -1.6741938 27 S -1.5485039 -0.2667541 0.0560118 -0.4390967 -1.9568727 0.3206155 0.1072354 0.2477082 -1.6741938 28 S -1.5485039 -0.2667541 -0.0560118 -0.4390967 -1.9568727 -0.3206155 -0.1072354 -0.2477082 -1.6741938 29 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 30 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 31 S -1.2518957 0.0000000 -0.0000048 0.0000000 -1.3760473 0.0000000 -0.0781403 0.0000000 -2.3008417 32 S -1.2518957 0.0000000 0.0000048 0.0000000 -1.3760473 0.0000000 0.0781403 0.0000000 -2.3008417 33 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 34 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 35 S -2.1171528 0.0000000 0.2448039 0.0000000 -1.4829429 0.0000000 0.3297774 0.0000000 -1.6229892 36 S -2.1171528 0.0000000 -0.2448039 0.0000000 -1.4829429 0.0000000 -0.3297774 0.0000000 -1.6229892 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 1.504 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.920 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 9.933 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.147 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.313 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.585 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 11.438 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.375 ( 0.000 0.000 0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 14.348 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 19.071 0.000 0.000) 19.071 0.496 ( 27.305 0.000 0.000) 27.305 0.876 ( -8.395 0.000 0.000) 8.395 0.924 ( 49.311 0.000 0.000) 49.311 1.349 ( -16.637 0.000 0.000) 16.637 2.226 ( -14.608 0.000 0.000) 14.608 2.278 ( 0.682 0.000 0.000) 0.682 2.302 ( -0.610 0.000 0.000) 0.610 2.339 ( 0.491 0.000 0.000) 0.491 2.405 ( -2.988 0.000 0.000) 2.988 2.576 ( 5.627 0.000 0.000) 5.627 2.608 ( -1.115 0.000 0.000) 1.115 2.966 ( 2.429 0.000 0.000) 2.429 3.106 ( -2.798 0.000 0.000) 2.798 3.280 ( 5.644 0.000 0.000) 5.644 3.444 ( -0.294 0.000 0.000) 0.294 3.546 ( -1.671 0.000 0.000) 1.671 3.672 ( 3.674 0.000 0.000) 3.674 3.691 ( -11.420 0.000 0.000) 11.420 3.765 ( 5.281 0.000 0.000) 5.281 3.785 ( 0.475 0.000 0.000) 0.475 3.831 ( -2.507 0.000 0.000) 2.507 3.856 ( -2.803 0.000 0.000) 2.803 4.195 ( -16.338 0.000 0.000) 16.338 4.289 ( 7.447 0.000 0.000) 7.447 4.537 ( -0.152 0.000 0.000) 0.152 4.617 ( -0.770 0.000 0.000) 0.770 4.713 ( 9.776 0.000 0.000) 9.776 4.726 ( 1.443 0.000 0.000) 1.443 4.803 ( 0.868 0.000 0.000) 0.868 5.020 ( 1.127 0.000 0.000) 1.127 5.094 ( -0.755 0.000 0.000) 0.755 5.253 ( -0.995 0.000 0.000) 0.995 5.326 ( -5.122 0.000 0.000) 5.122 5.378 ( -1.513 0.000 0.000) 1.513 5.459 ( -5.149 0.000 0.000) 5.149 5.491 ( 1.515 0.000 0.000) 1.515 5.723 ( -6.977 0.000 0.000) 6.977 5.743 ( 4.966 0.000 0.000) 4.966 5.822 ( 7.282 0.000 0.000) 7.282 5.876 ( 6.534 0.000 0.000) 6.534 5.899 ( -1.150 0.000 0.000) 1.150 5.937 ( 1.193 0.000 0.000) 1.193 5.978 ( 0.597 0.000 0.000) 0.597 6.153 ( 3.980 0.000 0.000) 3.980 6.426 ( 0.401 0.000 0.000) 0.401 6.437 ( -0.333 0.000 0.000) 0.333 6.465 ( -9.939 0.000 0.000) 9.939 6.751 ( 3.128 0.000 0.000) 3.128 6.877 ( -4.049 0.000 0.000) 4.049 6.943 ( 2.495 0.000 0.000) 2.495 7.011 ( -1.944 0.000 0.000) 1.944 7.078 ( 5.003 0.000 0.000) 5.003 7.235 ( -3.011 0.000 0.000) 3.011 7.615 ( 1.572 0.000 0.000) 1.572 7.748 ( -5.750 0.000 0.000) 5.750 8.384 ( 7.347 0.000 0.000) 7.347 8.494 ( 5.270 0.000 0.000) 5.270 8.581 ( 0.413 0.000 0.000) 0.413 8.739 ( -7.042 0.000 0.000) 7.042 8.847 ( -2.394 0.000 0.000) 2.394 8.878 ( -3.232 0.000 0.000) 3.232 9.153 ( 4.175 0.000 0.000) 4.175 9.229 ( 0.158 0.000 0.000) 0.158 9.349 ( 0.757 0.000 0.000) 0.757 9.373 ( -0.232 0.000 0.000) 0.232 9.911 ( 0.455 0.000 0.000) 0.455 9.942 ( -1.546 0.000 0.000) 1.546 10.055 ( 3.903 0.000 0.000) 3.903 10.093 ( -0.487 0.000 0.000) 0.487 10.099 ( -0.720 0.000 0.000) 0.720 10.179 ( 1.956 0.000 0.000) 1.956 10.191 ( -3.241 0.000 0.000) 3.241 10.266 ( -1.772 0.000 0.000) 1.772 10.318 ( 0.553 0.000 0.000) 0.553 10.341 ( -0.152 0.000 0.000) 0.152 10.551 ( 0.662 0.000 0.000) 0.662 10.580 ( -0.613 0.000 0.000) 0.613 10.644 ( 1.473 0.000 0.000) 1.473 10.686 ( 0.778 0.000 0.000) 0.778 10.709 ( -1.945 0.000 0.000) 1.945 10.712 ( -0.316 0.000 0.000) 0.316 10.800 ( -0.138 0.000 0.000) 0.138 10.806 ( -0.316 0.000 0.000) 0.316 10.825 ( 2.281 0.000 0.000) 2.281 10.884 ( -0.778 0.000 0.000) 0.778 11.311 ( 2.064 0.000 0.000) 2.064 11.371 ( 0.768 0.000 0.000) 0.768 11.423 ( -1.564 0.000 0.000) 1.564 11.440 ( -4.655 0.000 0.000) 4.655 11.605 ( 3.380 0.000 0.000) 3.380 11.722 ( 6.988 0.000 0.000) 6.988 11.782 ( -5.009 0.000 0.000) 5.009 11.899 ( 1.065 0.000 0.000) 1.065 11.927 ( -0.599 0.000 0.000) 0.599 11.967 ( -4.945 0.000 0.000) 4.945 12.370 ( -1.139 0.000 0.000) 1.139 12.371 ( -0.422 0.000 0.000) 0.422 12.468 ( -0.298 0.000 0.000) 0.298 12.475 ( -0.484 0.000 0.000) 0.484 12.616 ( 5.955 0.000 0.000) 5.955 12.793 ( -2.939 0.000 0.000) 2.939 12.799 ( 3.221 0.000 0.000) 3.221 12.911 ( -1.919 0.000 0.000) 1.919 13.043 ( 6.867 0.000 0.000) 6.867 13.373 ( -7.607 0.000 0.000) 7.607 14.378 ( 3.014 0.000 0.000) 3.014 14.491 ( -2.119 0.000 0.000) 2.119 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -15.026 0.000 0.000) 15.026 0.664 ( 15.026 0.000 0.000) 15.026 0.961 ( -24.315 0.000 0.000) 24.315 0.961 ( 24.315 0.000 0.000) 24.315 1.736 ( -38.453 0.000 0.000) 38.453 1.736 ( 38.453 0.000 0.000) 38.453 2.292 ( -0.684 0.000 0.000) 0.684 2.292 ( 0.684 0.000 0.000) 0.684 2.357 ( -1.869 0.000 0.000) 1.869 2.357 ( 1.869 0.000 0.000) 1.869 2.624 ( -0.657 0.000 0.000) 0.657 2.624 ( 0.657 0.000 0.000) 0.657 3.034 ( -4.769 0.000 0.000) 4.769 3.034 ( 4.769 0.000 0.000) 4.769 3.388 ( -5.467 0.000 0.000) 5.467 3.388 ( 5.467 0.000 0.000) 5.467 3.552 ( -3.500 0.000 0.000) 3.500 3.552 ( 3.500 0.000 0.000) 3.500 3.764 ( -5.042 0.000 0.000) 5.042 3.764 ( 5.042 0.000 0.000) 5.042 3.807 ( -2.131 0.000 0.000) 2.131 3.807 ( 2.131 0.000 0.000) 2.131 3.925 ( -12.915 0.000 0.000) 12.915 3.925 ( 12.915 0.000 0.000) 12.915 4.438 ( -8.423 0.000 0.000) 8.423 4.438 ( 8.423 0.000 0.000) 8.423 4.683 ( -5.233 0.000 0.000) 5.233 4.683 ( 5.233 0.000 0.000) 5.233 4.808 ( -1.320 0.000 0.000) 1.320 4.808 ( 1.320 0.000 0.000) 1.320 5.061 ( -2.892 0.000 0.000) 2.892 5.061 ( 2.892 0.000 0.000) 2.892 5.256 ( -2.053 0.000 0.000) 2.053 5.256 ( 2.053 0.000 0.000) 2.053 5.381 ( -2.702 0.000 0.000) 2.702 5.381 ( 2.702 0.000 0.000) 2.702 5.589 ( -7.520 0.000 0.000) 7.520 5.589 ( 7.520 0.000 0.000) 7.520 5.836 ( -4.888 0.000 0.000) 4.888 5.836 ( 4.888 0.000 0.000) 4.888 5.925 ( -3.516 0.000 0.000) 3.516 5.925 ( 3.516 0.000 0.000) 3.516 5.968 ( -2.603 0.000 0.000) 2.603 5.968 ( 2.603 0.000 0.000) 2.603 6.275 ( -9.793 0.000 0.000) 9.793 6.275 ( 9.793 0.000 0.000) 9.793 6.431 ( -0.257 0.000 0.000) 0.257 6.431 ( 0.257 0.000 0.000) 0.257 6.812 ( -3.428 0.000 0.000) 3.428 6.812 ( 3.428 0.000 0.000) 3.428 6.978 ( -1.686 0.000 0.000) 1.686 6.978 ( 1.686 0.000 0.000) 1.686 7.165 ( -4.612 0.000 0.000) 4.612 7.165 ( 4.612 0.000 0.000) 4.612 7.659 ( -3.640 0.000 0.000) 3.640 7.659 ( 3.640 0.000 0.000) 3.640 8.559 ( -11.331 0.000 0.000) 11.331 8.559 ( 11.331 0.000 0.000) 11.331 8.568 ( -2.391 0.000 0.000) 2.391 8.568 ( 2.391 0.000 0.000) 2.391 8.837 ( -1.051 0.000 0.000) 1.051 8.837 ( 1.051 0.000 0.000) 1.051 9.214 ( -2.165 0.000 0.000) 2.165 9.214 ( 2.165 0.000 0.000) 2.165 9.364 ( -0.728 0.000 0.000) 0.728 9.364 ( 0.728 0.000 0.000) 0.728 9.922 ( -0.822 0.000 0.000) 0.822 9.922 ( 0.822 0.000 0.000) 0.822 10.089 ( -0.200 0.000 0.000) 0.200 10.089 ( 0.200 0.000 0.000) 0.200 10.124 ( -3.926 0.000 0.000) 3.926 10.124 ( 3.926 0.000 0.000) 3.926 10.226 ( -2.779 0.000 0.000) 2.779 10.226 ( 2.779 0.000 0.000) 2.779 10.331 ( -0.806 0.000 0.000) 0.806 10.331 ( 0.806 0.000 0.000) 0.806 10.566 ( -0.888 0.000 0.000) 0.888 10.566 ( 0.888 0.000 0.000) 0.888 10.675 ( -1.866 0.000 0.000) 1.866 10.675 ( 1.866 0.000 0.000) 1.866 10.702 ( -0.843 0.000 0.000) 0.843 10.702 ( 0.843 0.000 0.000) 0.843 10.801 ( -0.215 0.000 0.000) 0.215 10.801 ( 0.215 0.000 0.000) 0.215 10.862 ( -1.668 0.000 0.000) 1.668 10.862 ( 1.668 0.000 0.000) 1.668 11.364 ( -3.723 0.000 0.000) 3.723 11.364 ( 3.723 0.000 0.000) 3.723 11.393 ( -1.572 0.000 0.000) 1.572 11.393 ( 1.572 0.000 0.000) 1.572 11.686 ( -5.346 0.000 0.000) 5.346 11.686 ( 5.346 0.000 0.000) 5.346 11.854 ( -7.293 0.000 0.000) 7.293 11.854 ( 7.293 0.000 0.000) 7.293 11.914 ( -0.750 0.000 0.000) 0.750 11.914 ( 0.750 0.000 0.000) 0.750 12.363 ( -0.261 0.000 0.000) 0.261 12.363 ( 0.261 0.000 0.000) 0.261 12.467 ( -0.220 0.000 0.000) 0.220 12.467 ( 0.220 0.000 0.000) 0.220 12.719 ( -5.169 0.000 0.000) 5.169 12.719 ( 5.169 0.000 0.000) 5.169 12.862 ( -3.431 0.000 0.000) 3.431 12.862 ( 3.431 0.000 0.000) 3.431 13.205 ( -10.294 0.000 0.000) 10.294 13.205 ( 10.294 0.000 0.000) 10.294 14.439 ( -3.480 0.000 0.000) 3.480 14.439 ( 3.480 0.000 0.000) 3.480 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 23.776 0.000) 23.776 0.583 ( 0.000 27.413 0.000) 27.413 1.090 ( 0.000 47.709 0.000) 47.709 1.320 ( 0.000 25.207 0.000) 25.207 1.581 ( 0.000 7.484 0.000) 7.484 2.179 ( 0.000 -8.511 0.000) 8.511 2.276 ( 0.000 1.652 0.000) 1.652 2.419 ( 0.000 1.082 0.000) 1.082 2.426 ( 0.000 -9.244 0.000) 9.244 2.480 ( 0.000 16.089 0.000) 16.089 2.633 ( 0.000 -4.025 0.000) 4.025 2.863 ( 0.000 15.267 0.000) 15.267 3.011 ( 0.000 1.109 0.000) 1.109 3.092 ( 0.000 -0.738 0.000) 0.738 3.262 ( 0.000 0.057 0.000) 0.057 3.465 ( 0.000 -3.307 0.000) 3.307 3.465 ( 0.000 -0.395 0.000) 0.395 3.715 ( 0.000 6.511 0.000) 6.511 3.720 ( 0.000 -0.243 0.000) 0.243 3.824 ( 0.000 10.692 0.000) 10.692 3.915 ( 0.000 3.103 0.000) 3.103 3.942 ( 0.000 7.054 0.000) 7.054 4.058 ( 0.000 8.037 0.000) 8.037 4.219 ( 0.000 3.125 0.000) 3.125 4.345 ( 0.000 -10.681 0.000) 10.681 4.477 ( 0.000 5.907 0.000) 5.907 4.613 ( 0.000 -3.321 0.000) 3.321 4.696 ( 0.000 11.651 0.000) 11.651 4.743 ( 0.000 6.009 0.000) 6.009 4.832 ( 0.000 3.447 0.000) 3.447 5.064 ( 0.000 3.692 0.000) 3.692 5.180 ( 0.000 6.845 0.000) 6.845 5.217 ( 0.000 -2.169 0.000) 2.169 5.469 ( 0.000 -5.059 0.000) 5.059 5.485 ( 0.000 7.012 0.000) 7.012 5.485 ( 0.000 -1.508 0.000) 1.508 5.500 ( 0.000 -3.783 0.000) 3.783 5.631 ( 0.000 -3.655 0.000) 3.655 5.672 ( 0.000 -4.608 0.000) 4.608 5.751 ( 0.000 1.912 0.000) 1.912 5.773 ( 0.000 -6.835 0.000) 6.835 5.857 ( 0.000 -2.289 0.000) 2.289 5.943 ( 0.000 -2.373 0.000) 2.373 5.965 ( 0.000 3.708 0.000) 3.708 6.072 ( 0.000 -3.440 0.000) 3.440 6.335 ( 0.000 -9.058 0.000) 9.058 6.371 ( 0.000 -4.369 0.000) 4.369 6.486 ( 0.000 -6.891 0.000) 6.891 6.752 ( 0.000 2.117 0.000) 2.117 6.897 ( 0.000 -2.985 0.000) 2.985 6.900 ( 0.000 -1.075 0.000) 1.075 6.917 ( 0.000 -3.066 0.000) 3.066 7.162 ( 0.000 1.026 0.000) 1.026 7.253 ( 0.000 -0.615 0.000) 0.615 7.533 ( 0.000 -5.983 0.000) 5.983 7.729 ( 0.000 -7.382 0.000) 7.382 8.315 ( 0.000 -0.111 0.000) 0.111 8.423 ( 0.000 -1.014 0.000) 1.014 8.614 ( 0.000 -1.023 0.000) 1.023 8.626 ( 0.000 -0.867 0.000) 0.867 8.821 ( 0.000 2.548 0.000) 2.548 8.925 ( 0.000 0.817 0.000) 0.817 9.097 ( 0.000 -0.504 0.000) 0.504 9.158 ( 0.000 -2.495 0.000) 2.495 9.378 ( 0.000 2.961 0.000) 2.961 9.505 ( 0.000 1.846 0.000) 1.846 9.845 ( 0.000 -5.109 0.000) 5.109 9.886 ( 0.000 -4.107 0.000) 4.107 10.013 ( 0.000 1.312 0.000) 1.312 10.079 ( 0.000 -1.861 0.000) 1.861 10.105 ( 0.000 -0.068 0.000) 0.068 10.191 ( 0.000 -2.600 0.000) 2.600 10.192 ( 0.000 3.372 0.000) 3.372 10.293 ( 0.000 0.457 0.000) 0.457 10.328 ( 0.000 1.231 0.000) 1.231 10.328 ( 0.000 -0.632 0.000) 0.632 10.453 ( 0.000 -4.251 0.000) 4.251 10.456 ( 0.000 -2.326 0.000) 2.326 10.573 ( 0.000 1.770 0.000) 1.770 10.658 ( 0.000 -5.365 0.000) 5.365 10.662 ( 0.000 -0.830 0.000) 0.830 10.726 ( 0.000 4.017 0.000) 4.017 10.829 ( 0.000 7.893 0.000) 7.893 10.959 ( 0.000 4.825 0.000) 4.825 10.996 ( 0.000 12.759 0.000) 12.759 11.234 ( 0.000 -9.198 0.000) 9.198 11.249 ( 0.000 -4.091 0.000) 4.091 11.267 ( 0.000 5.197 0.000) 5.197 11.356 ( 0.000 -0.885 0.000) 0.885 11.412 ( 0.000 -1.692 0.000) 1.692 11.567 ( 0.000 -0.608 0.000) 0.608 11.660 ( 0.000 0.993 0.000) 0.993 11.826 ( 0.000 -3.060 0.000) 3.060 11.857 ( 0.000 -1.863 0.000) 1.863 11.904 ( 0.000 -2.301 0.000) 2.301 12.103 ( 0.000 7.466 0.000) 7.466 12.182 ( 0.000 -11.317 0.000) 11.317 12.363 ( 0.000 -2.164 0.000) 2.164 12.518 ( 0.000 -2.525 0.000) 2.525 12.553 ( 0.000 3.470 0.000) 3.470 12.651 ( 0.000 9.415 0.000) 9.415 12.719 ( 0.000 2.122 0.000) 2.122 12.781 ( 0.000 1.350 0.000) 1.350 12.946 ( 0.000 9.374 0.000) 9.374 13.366 ( 0.000 -6.941 0.000) 6.941 13.723 ( 0.000 -1.749 0.000) 1.749 13.746 ( 0.000 -5.231 0.000) 5.231 14.208 ( 0.000 -12.088 0.000) 12.088 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 16.872 20.454 0.000) 26.515 0.786 ( 21.542 16.201 0.000) 26.955 1.261 ( -6.496 25.612 0.000) 26.423 1.293 ( 23.488 35.832 0.000) 42.844 1.441 ( -14.385 9.007 0.000) 16.973 2.122 ( -8.390 -4.067 0.000) 9.323 2.331 ( 3.701 0.621 0.000) 3.753 2.377 ( -4.114 -6.258 0.000) 7.489 2.387 ( -0.547 1.241 0.000) 1.356 2.515 ( 0.581 12.566 0.000) 12.580 2.625 ( 3.526 5.116 0.000) 6.214 2.803 ( -6.215 15.540 0.000) 16.737 2.945 ( -4.892 -3.151 0.000) 5.819 3.036 ( -5.372 -4.225 0.000) 6.835 3.271 ( 0.491 -5.193 0.000) 5.216 3.432 ( -8.038 -2.942 0.000) 8.559 3.524 ( 6.859 3.426 0.000) 7.667 3.677 ( 8.389 -0.381 0.000) 8.398 3.786 ( -1.900 9.581 0.000) 9.768 3.829 ( 0.513 9.821 0.000) 9.835 3.877 ( -1.981 5.064 0.000) 5.438 3.936 ( 0.174 9.964 0.000) 9.965 4.016 ( -3.117 8.984 0.000) 9.509 4.181 ( -13.546 -1.605 0.000) 13.641 4.273 ( 5.328 -0.422 0.000) 5.345 4.502 ( -4.361 -5.072 0.000) 6.689 4.586 ( 3.766 4.513 0.000) 5.878 4.751 ( -1.054 3.409 0.000) 3.568 4.800 ( 6.545 5.869 0.000) 8.791 4.843 ( 1.355 3.664 0.000) 3.906 5.076 ( 1.052 3.907 0.000) 4.046 5.148 ( -2.173 3.870 0.000) 4.438 5.258 ( 3.303 2.197 0.000) 3.967 5.370 ( -5.411 -0.566 0.000) 5.441 5.406 ( -5.167 -1.944 0.000) 5.520 5.473 ( -4.001 0.714 0.000) 4.064 5.519 ( 3.843 5.310 0.000) 6.555 5.706 ( 4.692 -3.147 0.000) 5.650 5.716 ( -4.620 0.729 0.000) 4.678 5.746 ( 6.557 -6.049 0.000) 8.921 5.790 ( 2.691 -5.932 0.000) 6.514 5.861 ( -1.394 -3.575 0.000) 3.837 5.956 ( 1.149 -2.248 0.000) 2.525 5.969 ( 0.521 0.226 0.000) 0.568 6.110 ( 4.428 -2.718 0.000) 5.196 6.319 ( -2.301 -9.215 0.000) 9.498 6.369 ( -0.179 -4.861 0.000) 4.864 6.433 ( -5.349 -4.284 0.000) 6.853 6.749 ( 1.229 0.051 0.000) 1.230 6.839 ( -2.519 -2.115 0.000) 3.289 6.927 ( 1.731 -1.686 0.000) 2.417 6.990 ( 0.583 -5.132 0.000) 5.165 7.105 ( -0.509 3.686 0.000) 3.721 7.228 ( -2.614 -0.213 0.000) 2.622 7.552 ( 1.690 -5.770 0.000) 6.013 7.673 ( -4.954 -6.510 0.000) 8.180 8.372 ( 6.026 -0.848 0.000) 6.085 8.479 ( 4.966 -1.503 0.000) 5.189 8.567 ( -1.844 -0.950 0.000) 2.074 8.639 ( -2.961 -4.323 0.000) 5.240 8.856 ( 1.410 1.974 0.000) 2.425 8.893 ( -2.416 1.633 0.000) 2.916 9.142 ( 3.692 -1.065 0.000) 3.842 9.185 ( 1.940 -2.793 0.000) 3.401 9.388 ( 1.014 3.033 0.000) 3.198 9.463 ( -3.352 3.993 0.000) 5.213 9.847 ( 0.175 -5.319 0.000) 5.322 9.861 ( -1.139 -5.205 0.000) 5.328 10.053 ( 3.230 -0.035 0.000) 3.230 10.078 ( -0.050 -1.450 0.000) 1.451 10.096 ( -0.866 -0.268 0.000) 0.907 10.166 ( -2.508 -2.150 0.000) 3.303 10.199 ( 0.913 2.595 0.000) 2.751 10.272 ( -2.069 0.566 0.000) 2.145 10.324 ( -0.224 -0.826 0.000) 0.856 10.327 ( -0.066 0.967 0.000) 0.970 10.490 ( 3.461 -3.466 0.000) 4.899 10.534 ( 5.434 -5.173 0.000) 7.503 10.586 ( 0.925 2.461 0.000) 2.629 10.641 ( -1.042 -4.246 0.000) 4.372 10.647 ( -1.601 -0.928 0.000) 1.851 10.709 ( -1.782 3.033 0.000) 3.517 10.854 ( 2.427 7.367 0.000) 7.757 10.939 ( -1.769 6.400 0.000) 6.640 11.021 ( 2.174 10.923 0.000) 11.138 11.136 ( -5.395 5.616 0.000) 7.787 11.260 ( 1.160 -4.095 0.000) 4.257 11.285 ( 0.326 -1.880 0.000) 1.908 11.380 ( 0.438 -4.215 0.000) 4.238 11.399 ( -1.161 -1.616 0.000) 1.990 11.595 ( 3.028 -0.866 0.000) 3.150 11.714 ( 2.820 -1.432 0.000) 3.163 11.777 ( -0.850 -0.074 0.000) 0.854 11.891 ( 1.428 -2.031 0.000) 2.483 11.902 ( -0.232 -1.947 0.000) 1.961 12.009 ( -6.969 1.361 0.000) 7.101 12.274 ( 6.895 -3.746 0.000) 7.847 12.374 ( 2.026 0.269 0.000) 2.044 12.519 ( -3.571 3.545 0.000) 5.032 12.520 ( -3.583 2.934 0.000) 4.631 12.616 ( -0.592 1.041 0.000) 1.198 12.724 ( -4.746 -0.552 0.000) 4.778 12.826 ( 10.815 -0.611 0.000) 10.832 13.000 ( 4.372 10.640 0.000) 11.503 13.291 ( -7.736 -7.212 0.000) 10.576 13.313 ( -14.474 9.776 0.000) 17.466 14.148 ( 12.884 -17.825 0.000) 21.994 14.229 ( 1.901 -12.606 0.000) 12.749 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.266 17.996 0.000) 17.998 1.039 ( 0.266 17.996 0.000) 17.998 1.154 ( -8.063 19.412 0.000) 21.020 1.154 ( 8.063 19.412 0.000) 21.020 1.801 ( -27.184 10.823 0.000) 29.259 1.801 ( 27.184 10.823 0.000) 29.259 2.330 ( -0.499 -5.198 0.000) 5.222 2.330 ( 0.499 -5.198 0.000) 5.222 2.481 ( -5.260 10.080 0.000) 11.370 2.481 ( 5.260 10.080 0.000) 11.370 2.699 ( -4.143 10.377 0.000) 11.174 2.699 ( 4.143 10.377 0.000) 11.174 2.934 ( -4.429 -7.587 0.000) 8.785 2.934 ( 4.429 -7.587 0.000) 8.785 3.306 ( -4.339 -6.870 0.000) 8.125 3.306 ( 4.339 -6.870 0.000) 8.125 3.671 ( -8.438 7.464 0.000) 11.266 3.671 ( 8.438 7.464 0.000) 11.266 3.841 ( -0.095 8.390 0.000) 8.390 3.841 ( 0.095 8.390 0.000) 8.390 3.922 ( -13.836 3.184 0.000) 14.198 3.922 ( 13.836 3.184 0.000) 14.198 3.965 ( -2.574 9.312 0.000) 9.661 3.965 ( 2.574 9.312 0.000) 9.661 4.388 ( -7.063 -3.770 0.000) 8.006 4.388 ( 7.063 -3.770 0.000) 8.006 4.682 ( -5.683 2.418 0.000) 6.176 4.682 ( 5.683 2.418 0.000) 6.176 4.862 ( -0.312 4.082 0.000) 4.094 4.862 ( 0.312 4.082 0.000) 4.094 5.107 ( -2.358 4.017 0.000) 4.658 5.107 ( 2.358 4.017 0.000) 4.658 5.313 ( -1.968 3.736 0.000) 4.222 5.313 ( 1.968 3.736 0.000) 4.222 5.385 ( -3.623 -1.424 0.000) 3.893 5.385 ( 3.623 -1.424 0.000) 3.893 5.614 ( -6.236 3.530 0.000) 7.166 5.614 ( 6.236 3.530 0.000) 7.166 5.795 ( -4.553 -3.889 0.000) 5.987 5.795 ( 4.553 -3.889 0.000) 5.987 5.822 ( -1.371 -6.516 0.000) 6.658 5.822 ( 1.371 -6.516 0.000) 6.658 5.972 ( -0.432 -1.830 0.000) 1.880 5.972 ( 0.432 -1.830 0.000) 1.880 6.222 ( -7.551 -5.185 0.000) 9.160 6.222 ( 7.551 -5.185 0.000) 9.160 6.371 ( -0.967 -4.785 0.000) 4.882 6.371 ( 0.967 -4.785 0.000) 4.882 6.793 ( -2.885 -1.338 0.000) 3.180 6.793 ( 2.885 -1.338 0.000) 3.180 6.953 ( -1.852 -2.890 0.000) 3.432 6.953 ( 1.852 -2.890 0.000) 3.432 7.165 ( -4.332 0.700 0.000) 4.388 7.165 ( 4.332 0.700 0.000) 4.388 7.595 ( -3.346 -5.720 0.000) 6.627 7.595 ( 3.346 -5.720 0.000) 6.627 8.500 ( -6.842 -2.898 0.000) 7.430 8.500 ( 6.842 -2.898 0.000) 7.430 8.561 ( -4.234 -1.720 0.000) 4.570 8.561 ( 4.234 -1.720 0.000) 4.570 8.865 ( -0.594 2.573 0.000) 2.641 8.865 ( 0.594 2.573 0.000) 2.641 9.192 ( -1.398 -1.930 0.000) 2.383 9.192 ( 1.398 -1.930 0.000) 2.383 9.414 ( -2.024 3.584 0.000) 4.116 9.414 ( 2.024 3.584 0.000) 4.116 9.851 ( -0.263 -5.741 0.000) 5.747 9.851 ( 0.263 -5.741 0.000) 5.747 10.081 ( -0.492 -0.747 0.000) 0.895 10.081 ( 0.492 -0.747 0.000) 0.895 10.113 ( -3.237 -1.158 0.000) 3.438 10.113 ( 3.237 -1.158 0.000) 3.438 10.229 ( -2.378 1.082 0.000) 2.613 10.229 ( 2.378 1.082 0.000) 2.613 10.324 ( -0.172 0.084 0.000) 0.191 10.324 ( 0.172 0.084 0.000) 0.191 10.554 ( -3.192 -2.658 0.000) 4.153 10.554 ( 3.192 -2.658 0.000) 4.153 10.609 ( -2.636 -1.931 0.000) 3.268 10.609 ( 2.636 -1.931 0.000) 3.268 10.666 ( -2.862 0.878 0.000) 2.994 10.666 ( 2.862 0.878 0.000) 2.994 10.900 ( -2.506 6.883 0.000) 7.325 10.900 ( 2.506 6.883 0.000) 7.325 11.066 ( -2.924 9.356 0.000) 9.803 11.066 ( 2.924 9.356 0.000) 9.803 11.281 ( -0.860 -3.561 0.000) 3.664 11.281 ( 0.860 -3.561 0.000) 3.664 11.382 ( -0.479 -2.333 0.000) 2.382 11.382 ( 0.479 -2.333 0.000) 2.382 11.665 ( -4.498 -1.712 0.000) 4.812 11.665 ( 4.498 -1.712 0.000) 4.812 11.869 ( -6.400 0.536 0.000) 6.423 11.869 ( 6.400 0.536 0.000) 6.423 11.908 ( -1.334 -1.189 0.000) 1.787 11.908 ( 1.334 -1.189 0.000) 1.787 12.398 ( -5.505 2.279 0.000) 5.958 12.398 ( 5.505 2.279 0.000) 5.958 12.448 ( -2.652 0.647 0.000) 2.729 12.448 ( 2.652 0.647 0.000) 2.729 12.647 ( -3.435 -1.398 0.000) 3.708 12.647 ( 3.435 -1.398 0.000) 3.708 13.021 ( -6.796 4.468 0.000) 8.133 13.021 ( 6.796 4.468 0.000) 8.133 13.175 ( -0.448 0.667 0.000) 0.803 13.175 ( 0.448 0.667 0.000) 0.803 14.249 ( -0.748 -14.722 0.000) 14.741 14.249 ( 0.748 -14.722 0.000) 14.741 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 26.636 0.000) 26.636 1.181 ( 0.000 27.546 0.000) 27.546 1.718 ( 0.000 9.336 0.000) 9.336 1.826 ( 0.000 14.599 0.000) 14.599 1.961 ( 0.000 21.685 0.000) 21.685 2.003 ( 0.000 -7.255 0.000) 7.255 2.116 ( 0.000 -10.217 0.000) 10.217 2.236 ( 0.000 -15.537 0.000) 15.537 2.516 ( 0.000 17.996 0.000) 17.996 2.595 ( 0.000 -1.215 0.000) 1.215 2.793 ( 0.000 8.817 0.000) 8.817 2.919 ( 0.000 -4.630 0.000) 4.630 3.102 ( 0.000 1.690 0.000) 1.690 3.156 ( 0.000 -8.370 0.000) 8.370 3.211 ( 0.000 11.148 0.000) 11.148 3.468 ( 0.000 3.840 0.000) 3.840 3.579 ( 0.000 11.776 0.000) 11.776 3.699 ( 0.000 -2.019 0.000) 2.019 3.704 ( 0.000 -6.655 0.000) 6.655 4.037 ( 0.000 4.334 0.000) 4.334 4.048 ( 0.000 -7.097 0.000) 7.097 4.056 ( 0.000 2.922 0.000) 2.922 4.145 ( 0.000 1.758 0.000) 1.758 4.274 ( 0.000 19.424 0.000) 19.424 4.464 ( 0.000 19.597 0.000) 19.597 4.472 ( 0.000 -9.509 0.000) 9.509 4.720 ( 0.000 12.043 0.000) 12.043 4.894 ( 0.000 5.893 0.000) 5.893 4.963 ( 0.000 7.417 0.000) 7.417 4.989 ( 0.000 13.679 0.000) 13.679 5.117 ( 0.000 -0.391 0.000) 0.391 5.189 ( 0.000 -1.575 0.000) 1.575 5.340 ( 0.000 4.915 0.000) 4.915 5.349 ( 0.000 -2.556 0.000) 2.556 5.372 ( 0.000 -6.266 0.000) 6.266 5.383 ( 0.000 -7.866 0.000) 7.866 5.542 ( 0.000 -2.648 0.000) 2.648 5.575 ( 0.000 -2.175 0.000) 2.175 5.577 ( 0.000 -9.050 0.000) 9.050 5.667 ( 0.000 7.736 0.000) 7.736 5.738 ( 0.000 -7.850 0.000) 7.850 5.881 ( 0.000 -2.187 0.000) 2.187 5.886 ( 0.000 7.887 0.000) 7.887 6.021 ( 0.000 -0.937 0.000) 0.937 6.024 ( 0.000 1.348 0.000) 1.348 6.101 ( 0.000 -10.746 0.000) 10.746 6.242 ( 0.000 -7.190 0.000) 7.190 6.290 ( 0.000 -11.008 0.000) 11.008 6.788 ( 0.000 1.209 0.000) 1.209 6.833 ( 0.000 -2.470 0.000) 2.470 6.844 ( 0.000 -3.099 0.000) 3.099 6.860 ( 0.000 -2.397 0.000) 2.397 7.181 ( 0.000 1.072 0.000) 1.072 7.259 ( 0.000 1.670 0.000) 1.670 7.371 ( 0.000 -7.942 0.000) 7.942 7.529 ( 0.000 -10.046 0.000) 10.046 8.317 ( 0.000 0.504 0.000) 0.504 8.386 ( 0.000 -2.177 0.000) 2.177 8.594 ( 0.000 -0.686 0.000) 0.686 8.604 ( 0.000 -0.993 0.000) 0.993 8.893 ( 0.000 3.975 0.000) 3.975 8.966 ( 0.000 2.826 0.000) 2.826 9.077 ( 0.000 -1.416 0.000) 1.416 9.084 ( 0.000 -4.150 0.000) 4.150 9.455 ( 0.000 4.106 0.000) 4.106 9.562 ( 0.000 3.451 0.000) 3.451 9.708 ( 0.000 -7.072 0.000) 7.072 9.774 ( 0.000 -5.731 0.000) 5.731 10.045 ( 0.000 -0.552 0.000) 0.552 10.047 ( 0.000 1.650 0.000) 1.650 10.099 ( 0.000 -0.600 0.000) 0.600 10.125 ( 0.000 -3.194 0.000) 3.194 10.259 ( 0.000 2.391 0.000) 2.391 10.299 ( 0.000 0.170 0.000) 0.170 10.317 ( 0.000 -0.492 0.000) 0.492 10.344 ( 0.000 -0.509 0.000) 0.509 10.444 ( 0.000 2.953 0.000) 2.953 10.457 ( 0.000 2.250 0.000) 2.250 10.558 ( 0.000 -2.774 0.000) 2.774 10.631 ( 0.000 -2.646 0.000) 2.646 10.637 ( 0.000 4.199 0.000) 4.199 10.811 ( 0.000 3.875 0.000) 3.875 10.982 ( 0.000 -2.494 0.000) 2.494 11.021 ( 0.000 -2.223 0.000) 2.223 11.025 ( 0.000 -0.751 0.000) 0.751 11.163 ( 0.000 -0.349 0.000) 0.349 11.210 ( 0.000 4.590 0.000) 4.590 11.292 ( 0.000 -3.985 0.000) 3.985 11.405 ( 0.000 5.968 0.000) 5.968 11.418 ( 0.000 3.414 0.000) 3.414 11.548 ( 0.000 -1.209 0.000) 1.209 11.651 ( 0.000 -2.870 0.000) 2.870 11.764 ( 0.000 -1.264 0.000) 1.264 11.813 ( 0.000 -1.913 0.000) 1.913 11.858 ( 0.000 -1.284 0.000) 1.284 11.978 ( 0.000 -7.019 0.000) 7.019 12.300 ( 0.000 9.997 0.000) 9.997 12.353 ( 0.000 0.829 0.000) 0.829 12.452 ( 0.000 -3.240 0.000) 3.240 12.585 ( 0.000 -1.038 0.000) 1.038 12.785 ( 0.000 3.679 0.000) 3.679 12.824 ( 0.000 5.352 0.000) 5.352 12.830 ( 0.000 3.397 0.000) 3.397 13.121 ( 0.000 -3.079 0.000) 3.079 13.235 ( 0.000 5.539 0.000) 5.539 13.629 ( 0.000 -4.185 0.000) 4.185 13.668 ( 0.000 -3.193 0.000) 3.193 13.879 ( 0.000 -16.964 0.000) 16.964 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 13.851 19.798 0.000) 24.163 1.266 ( 8.606 25.034 0.000) 26.472 1.666 ( -6.555 10.686 0.000) 12.536 1.725 ( -9.795 16.344 0.000) 19.054 2.005 ( 0.678 -7.369 0.000) 7.400 2.007 ( 2.239 4.223 0.000) 4.780 2.144 ( 5.027 6.027 0.000) 7.848 2.251 ( 1.721 -14.097 0.000) 14.201 2.540 ( 2.420 17.882 0.000) 18.045 2.648 ( 4.844 -3.834 0.000) 6.178 2.779 ( -4.282 5.976 0.000) 7.352 2.891 ( 1.346 3.554 0.000) 3.800 3.015 ( -10.364 3.964 0.000) 11.096 3.111 ( -5.609 6.906 0.000) 8.897 3.132 ( -1.562 -7.402 0.000) 7.565 3.353 ( -15.425 -2.667 0.000) 15.654 3.637 ( 5.640 7.988 0.000) 9.779 3.685 ( 11.137 1.825 0.000) 11.286 3.830 ( -0.678 -1.222 0.000) 1.398 3.989 ( -5.439 -6.744 0.000) 8.664 4.056 ( 2.976 3.811 0.000) 4.835 4.102 ( 5.485 1.898 0.000) 5.804 4.139 ( -0.741 4.379 0.000) 4.441 4.302 ( 2.074 21.042 0.000) 21.144 4.394 ( -6.823 -6.844 0.000) 9.664 4.435 ( -2.914 19.183 0.000) 19.403 4.760 ( 3.148 9.304 0.000) 9.822 4.863 ( -2.983 5.232 0.000) 6.023 4.975 ( 1.190 7.245 0.000) 7.342 4.998 ( 0.561 10.733 0.000) 10.748 5.139 ( 2.457 0.802 0.000) 2.585 5.218 ( 3.264 -0.231 0.000) 3.272 5.297 ( -5.122 -0.387 0.000) 5.136 5.308 ( -1.272 -2.191 0.000) 2.533 5.359 ( 0.510 1.134 0.000) 1.243 5.436 ( -0.150 -4.189 0.000) 4.192 5.558 ( 0.923 -11.045 0.000) 11.083 5.581 ( 3.044 -6.198 0.000) 6.905 5.633 ( 4.492 -3.060 0.000) 5.435 5.691 ( 3.079 7.420 0.000) 8.033 5.741 ( -0.636 -7.241 0.000) 7.269 5.854 ( -3.547 7.944 0.000) 8.700 5.891 ( 0.934 -2.428 0.000) 2.602 5.956 ( -3.371 0.056 0.000) 3.371 6.061 ( 1.212 -2.660 0.000) 2.923 6.093 ( -0.713 -9.902 0.000) 9.928 6.231 ( -0.863 -7.618 0.000) 7.666 6.277 ( -1.843 -9.783 0.000) 9.955 6.758 ( -1.175 0.867 0.000) 1.460 6.801 ( -1.402 -1.023 0.000) 1.736 6.866 ( -0.153 -3.617 0.000) 3.620 6.879 ( 0.565 -4.558 0.000) 4.593 7.167 ( 0.034 2.562 0.000) 2.563 7.245 ( -1.598 2.085 0.000) 2.627 7.392 ( 1.992 -8.051 0.000) 8.294 7.496 ( -3.150 -8.887 0.000) 9.429 8.362 ( 4.659 0.174 0.000) 4.663 8.432 ( 4.339 -2.544 0.000) 5.029 8.552 ( -3.922 -0.394 0.000) 3.942 8.578 ( -2.913 -1.827 0.000) 3.438 8.920 ( 1.895 3.754 0.000) 4.206 8.953 ( -0.876 3.736 0.000) 3.838 9.106 ( 2.313 -2.352 0.000) 3.299 9.108 ( 2.163 -4.177 0.000) 4.704 9.464 ( 1.023 3.986 0.000) 4.115 9.540 ( -2.297 3.615 0.000) 4.283 9.707 ( -0.012 -6.990 0.000) 6.990 9.743 ( -2.465 -5.543 0.000) 6.067 10.049 ( 0.501 -0.609 0.000) 0.789 10.056 ( 1.042 0.363 0.000) 1.103 10.087 ( -1.257 -0.646 0.000) 1.413 10.111 ( -1.465 -2.686 0.000) 3.059 10.264 ( 0.491 2.893 0.000) 2.934 10.289 ( -0.648 1.050 0.000) 1.234 10.326 ( 0.546 0.423 0.000) 0.690 10.345 ( -0.103 0.030 0.000) 0.108 10.465 ( 2.229 1.270 0.000) 2.566 10.490 ( 3.097 0.375 0.000) 3.119 10.554 ( -0.679 -2.622 0.000) 2.709 10.615 ( -1.811 -2.438 0.000) 3.037 10.668 ( 3.333 4.763 0.000) 5.814 10.791 ( -2.185 4.153 0.000) 4.693 11.008 ( 2.500 -4.201 0.000) 4.889 11.022 ( 0.042 -2.340 0.000) 2.340 11.025 ( 0.079 1.751 0.000) 1.753 11.126 ( -3.075 1.314 0.000) 3.344 11.238 ( 2.019 1.001 0.000) 2.253 11.289 ( -0.521 -4.512 0.000) 4.542 11.403 ( 0.071 7.150 0.000) 7.150 11.416 ( -0.170 4.634 0.000) 4.637 11.569 ( 2.235 -1.559 0.000) 2.725 11.653 ( -0.800 -4.040 0.000) 4.118 11.782 ( 3.145 0.409 0.000) 3.172 11.836 ( 1.802 -2.300 0.000) 2.921 11.862 ( 0.308 -1.186 0.000) 1.225 11.950 ( -3.198 -4.525 0.000) 5.541 12.344 ( 5.011 7.803 0.000) 9.273 12.396 ( 4.805 1.798 0.000) 5.130 12.518 ( 4.976 -2.707 0.000) 5.665 12.572 ( -1.592 0.210 0.000) 1.605 12.687 ( -7.567 4.945 0.000) 9.040 12.749 ( -7.251 3.071 0.000) 7.875 12.841 ( 1.241 0.227 0.000) 1.262 13.085 ( -6.359 -10.518 0.000) 12.291 13.249 ( 3.295 12.166 0.000) 12.604 13.456 ( -8.695 5.546 0.000) 10.314 13.832 ( 7.453 -12.122 0.000) 14.230 13.897 ( 1.466 -16.729 0.000) 16.793 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.559 15.172 0.000) 15.842 1.383 ( 4.559 15.172 0.000) 15.842 1.556 ( -3.071 18.211 0.000) 18.469 1.556 ( 3.071 18.211 0.000) 18.469 2.016 ( -0.260 -8.128 0.000) 8.132 2.016 ( 0.260 -8.128 0.000) 8.132 2.257 ( -3.671 3.246 0.000) 4.900 2.257 ( 3.671 3.246 0.000) 4.900 2.611 ( -6.341 6.637 0.000) 9.179 2.611 ( 6.341 6.637 0.000) 9.179 2.819 ( -9.480 4.096 0.000) 10.327 2.819 ( 9.480 4.096 0.000) 10.327 2.993 ( -8.111 8.503 0.000) 11.751 2.993 ( 8.111 8.503 0.000) 11.751 3.151 ( -5.159 -7.482 0.000) 9.088 3.151 ( 5.159 -7.482 0.000) 9.088 3.747 ( -6.064 3.214 0.000) 6.863 3.747 ( 6.064 3.214 0.000) 6.863 3.872 ( -8.001 -2.763 0.000) 8.464 3.872 ( 8.001 -2.763 0.000) 8.464 4.110 ( -2.679 4.406 0.000) 5.156 4.110 ( 2.679 4.406 0.000) 5.156 4.230 ( -7.889 3.699 0.000) 8.713 4.230 ( 7.889 3.699 0.000) 8.713 4.376 ( -3.232 15.677 0.000) 16.007 4.376 ( 3.232 15.677 0.000) 16.007 4.811 ( -2.698 6.736 0.000) 7.257 4.811 ( 2.698 6.736 0.000) 7.257 4.996 ( -0.860 7.472 0.000) 7.521 4.996 ( 0.860 7.472 0.000) 7.521 5.204 ( -4.610 2.355 0.000) 5.177 5.204 ( 4.610 2.355 0.000) 5.177 5.286 ( -2.671 -2.115 0.000) 3.407 5.286 ( 2.671 -2.115 0.000) 3.407 5.380 ( -2.758 -0.278 0.000) 2.771 5.380 ( 2.758 -0.278 0.000) 2.771 5.603 ( -1.364 -10.094 0.000) 10.186 5.603 ( 1.364 -10.094 0.000) 10.186 5.703 ( -3.297 -4.727 0.000) 5.763 5.703 ( 3.297 -4.727 0.000) 5.763 5.771 ( -5.183 7.077 0.000) 8.772 5.771 ( 5.183 7.077 0.000) 8.772 5.912 ( -1.658 -1.702 0.000) 2.376 5.912 ( 1.658 -1.702 0.000) 2.376 6.079 ( -0.937 -7.048 0.000) 7.110 6.079 ( 0.937 -7.048 0.000) 7.110 6.235 ( -1.766 -7.898 0.000) 8.093 6.235 ( 1.766 -7.898 0.000) 8.093 6.772 ( -1.957 -0.285 0.000) 1.977 6.772 ( 1.957 -0.285 0.000) 1.977 6.866 ( -0.736 -4.322 0.000) 4.384 6.866 ( 0.736 -4.322 0.000) 4.384 7.202 ( -3.002 2.623 0.000) 3.987 7.202 ( 3.002 2.623 0.000) 3.987 7.437 ( -3.075 -7.966 0.000) 8.539 7.437 ( 3.075 -7.966 0.000) 8.539 8.462 ( -5.875 -0.576 0.000) 5.903 8.462 ( 5.875 -0.576 0.000) 5.903 8.512 ( -4.257 -2.369 0.000) 4.872 8.512 ( 4.257 -2.369 0.000) 4.872 8.941 ( -0.613 4.287 0.000) 4.331 8.941 ( 0.613 4.287 0.000) 4.331 9.132 ( -0.110 -3.623 0.000) 3.625 9.132 ( 0.110 -3.623 0.000) 3.625 9.494 ( -2.365 3.831 0.000) 4.502 9.494 ( 2.365 3.831 0.000) 4.502 9.713 ( -0.829 -6.413 0.000) 6.466 9.713 ( 0.829 -6.413 0.000) 6.466 10.063 ( -1.112 -0.692 0.000) 1.310 10.063 ( 1.112 -0.692 0.000) 1.310 10.081 ( -1.635 -1.454 0.000) 2.188 10.081 ( 1.635 -1.454 0.000) 2.188 10.276 ( -0.844 2.798 0.000) 2.923 10.276 ( 0.844 2.798 0.000) 2.923 10.337 ( -0.681 0.660 0.000) 0.948 10.337 ( 0.681 0.660 0.000) 0.948 10.508 ( -1.968 -0.899 0.000) 2.163 10.508 ( 1.968 -0.899 0.000) 2.163 10.569 ( -2.988 -1.837 0.000) 3.507 10.569 ( 2.988 -1.837 0.000) 3.507 10.736 ( -3.744 4.622 0.000) 5.948 10.736 ( 3.744 4.622 0.000) 5.948 11.022 ( -0.011 -3.167 0.000) 3.167 11.022 ( 0.011 -3.167 0.000) 3.167 11.066 ( -3.454 1.806 0.000) 3.898 11.066 ( 3.454 1.806 0.000) 3.898 11.270 ( -1.504 -2.756 0.000) 3.139 11.270 ( 1.504 -2.756 0.000) 3.139 11.410 ( -0.533 6.732 0.000) 6.753 11.410 ( 0.533 6.732 0.000) 6.753 11.617 ( -2.754 -2.774 0.000) 3.909 11.617 ( 2.754 -2.774 0.000) 3.909 11.860 ( -0.691 -1.637 0.000) 1.777 11.860 ( 0.691 -1.637 0.000) 1.777 11.868 ( -5.509 -1.021 0.000) 5.603 11.868 ( 5.509 -1.021 0.000) 5.603 12.465 ( -6.111 3.940 0.000) 7.271 12.465 ( 6.111 3.940 0.000) 7.271 12.514 ( -3.913 3.886 0.000) 5.515 12.514 ( 3.913 3.886 0.000) 5.515 12.645 ( -2.894 1.036 0.000) 3.074 12.645 ( 2.894 1.036 0.000) 3.074 12.930 ( -8.804 -8.247 0.000) 12.064 12.930 ( 8.804 -8.247 0.000) 12.064 13.333 ( -5.595 10.429 0.000) 11.835 13.333 ( 5.595 10.429 0.000) 11.835 13.906 ( -1.188 -15.752 0.000) 15.796 13.906 ( 1.188 -15.752 0.000) 15.796 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 -25.117 0.000) 25.117 1.581 ( 0.000 25.117 0.000) 25.117 1.731 ( 0.000 -18.711 0.000) 18.711 1.731 ( 0.000 18.711 0.000) 18.711 1.896 ( 0.000 -1.082 0.000) 1.082 1.896 ( 0.000 1.082 0.000) 1.082 2.156 ( 0.000 -12.999 0.000) 12.999 2.156 ( 0.000 12.999 0.000) 12.999 2.750 ( 0.000 -12.052 0.000) 12.052 2.750 ( 0.000 12.052 0.000) 12.052 2.918 ( 0.000 -15.780 0.000) 15.780 2.918 ( 0.000 15.780 0.000) 15.780 2.968 ( 0.000 -7.610 0.000) 7.610 2.968 ( 0.000 7.610 0.000) 7.610 3.475 ( 0.000 -10.742 0.000) 10.742 3.475 ( 0.000 10.742 0.000) 10.742 3.624 ( 0.000 -4.498 0.000) 4.498 3.624 ( 0.000 4.498 0.000) 4.498 3.845 ( 0.000 -10.649 0.000) 10.649 3.845 ( 0.000 10.649 0.000) 10.649 4.081 ( 0.000 -0.340 0.000) 0.340 4.081 ( 0.000 0.340 0.000) 0.340 4.235 ( 0.000 -8.416 0.000) 8.416 4.235 ( 0.000 8.416 0.000) 8.416 4.755 ( 0.000 -16.231 0.000) 16.231 4.755 ( 0.000 16.231 0.000) 16.231 4.879 ( 0.000 -13.469 0.000) 13.469 4.879 ( 0.000 13.469 0.000) 13.469 5.048 ( 0.000 -2.269 0.000) 2.269 5.048 ( 0.000 2.269 0.000) 2.269 5.078 ( 0.000 -6.968 0.000) 6.968 5.078 ( 0.000 6.968 0.000) 6.968 5.328 ( 0.000 -1.379 0.000) 1.379 5.328 ( 0.000 1.379 0.000) 1.379 5.409 ( 0.000 -6.056 0.000) 6.056 5.409 ( 0.000 6.056 0.000) 6.056 5.490 ( 0.000 -13.975 0.000) 13.975 5.490 ( 0.000 13.975 0.000) 13.975 5.543 ( 0.000 -0.392 0.000) 0.392 5.543 ( 0.000 0.392 0.000) 0.392 5.840 ( 0.000 -6.808 0.000) 6.808 5.840 ( 0.000 6.808 0.000) 6.808 6.022 ( 0.000 -0.244 0.000) 0.244 6.022 ( 0.000 0.244 0.000) 0.244 6.039 ( 0.000 -9.564 0.000) 9.564 6.039 ( 0.000 9.564 0.000) 9.564 6.073 ( 0.000 -8.011 0.000) 8.011 6.073 ( 0.000 8.011 0.000) 8.011 6.805 ( 0.000 -0.183 0.000) 0.183 6.805 ( 0.000 0.183 0.000) 0.183 6.814 ( 0.000 -1.551 0.000) 1.551 6.814 ( 0.000 1.551 0.000) 1.551 7.233 ( 0.000 -4.263 0.000) 4.263 7.233 ( 0.000 4.263 0.000) 4.263 7.343 ( 0.000 -6.387 0.000) 6.387 7.343 ( 0.000 6.387 0.000) 6.387 8.341 ( 0.000 -1.708 0.000) 1.708 8.341 ( 0.000 1.708 0.000) 1.708 8.589 ( 0.000 -0.282 0.000) 0.282 8.589 ( 0.000 0.282 0.000) 0.282 8.987 ( 0.000 -4.570 0.000) 4.570 8.987 ( 0.000 4.570 0.000) 4.570 9.031 ( 0.000 -2.815 0.000) 2.815 9.031 ( 0.000 2.815 0.000) 2.815 9.563 ( 0.000 -5.955 0.000) 5.955 9.563 ( 0.000 5.955 0.000) 5.955 9.654 ( 0.000 -5.055 0.000) 5.055 9.654 ( 0.000 5.055 0.000) 5.055 10.064 ( 0.000 -2.163 0.000) 2.163 10.064 ( 0.000 2.163 0.000) 2.163 10.079 ( 0.000 -1.218 0.000) 1.218 10.079 ( 0.000 1.218 0.000) 1.218 10.306 ( 0.000 -0.466 0.000) 0.466 10.306 ( 0.000 0.466 0.000) 0.466 10.306 ( 0.000 -2.263 0.000) 2.263 10.306 ( 0.000 2.263 0.000) 2.263 10.514 ( 0.000 -2.216 0.000) 2.216 10.514 ( 0.000 2.216 0.000) 2.216 10.542 ( 0.000 -5.162 0.000) 5.162 10.542 ( 0.000 5.162 0.000) 5.162 10.778 ( 0.000 -8.755 0.000) 8.755 10.778 ( 0.000 8.755 0.000) 8.755 10.907 ( 0.000 -5.414 0.000) 5.414 10.907 ( 0.000 5.414 0.000) 5.414 11.169 ( 0.000 -6.876 0.000) 6.876 11.169 ( 0.000 6.876 0.000) 6.876 11.215 ( 0.000 -2.412 0.000) 2.412 11.215 ( 0.000 2.412 0.000) 2.412 11.506 ( 0.000 -3.060 0.000) 3.060 11.506 ( 0.000 3.060 0.000) 3.060 11.541 ( 0.000 -6.257 0.000) 6.257 11.541 ( 0.000 6.257 0.000) 6.257 11.776 ( 0.000 -1.499 0.000) 1.499 11.776 ( 0.000 1.499 0.000) 1.499 11.873 ( 0.000 -2.829 0.000) 2.829 11.873 ( 0.000 2.829 0.000) 2.829 12.389 ( 0.000 -2.397 0.000) 2.397 12.389 ( 0.000 2.397 0.000) 2.397 12.496 ( 0.000 -7.158 0.000) 7.158 12.496 ( 0.000 7.158 0.000) 7.158 12.856 ( 0.000 -1.977 0.000) 1.977 12.856 ( 0.000 1.977 0.000) 1.977 12.944 ( 0.000 -7.544 0.000) 7.544 12.944 ( 0.000 7.544 0.000) 7.544 13.518 ( 0.000 -15.753 0.000) 15.753 13.518 ( 0.000 15.753 0.000) 15.753 13.605 ( 0.000 -1.775 0.000) 1.775 13.605 ( 0.000 1.775 0.000) 1.775 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.750 -21.265 0.000) 21.593 1.615 ( 3.750 21.265 0.000) 21.593 1.764 ( 0.895 -13.820 0.000) 13.849 1.764 ( 0.895 13.820 0.000) 13.849 1.889 ( 1.729 -8.129 0.000) 8.310 1.889 ( 1.729 8.129 0.000) 8.310 2.122 ( -4.270 -16.475 0.000) 17.019 2.122 ( -4.270 16.475 0.000) 17.019 2.806 ( 6.601 -11.591 0.000) 13.339 2.806 ( 6.601 11.591 0.000) 13.339 2.914 ( -0.262 -13.395 0.000) 13.398 2.914 ( -0.262 13.395 0.000) 13.398 2.954 ( -1.332 -8.138 0.000) 8.246 2.954 ( -1.332 8.138 0.000) 8.246 3.263 ( -15.260 -7.632 0.000) 17.062 3.263 ( -15.260 7.632 0.000) 17.062 3.768 ( 6.972 -4.477 0.000) 8.286 3.768 ( 6.972 4.477 0.000) 8.286 3.830 ( -1.028 -8.076 0.000) 8.141 3.830 ( -1.028 8.076 0.000) 8.141 4.095 ( 2.450 -0.979 0.000) 2.639 4.095 ( 2.450 0.979 0.000) 2.639 4.222 ( -1.679 -6.598 0.000) 6.809 4.222 ( -1.679 6.598 0.000) 6.809 4.778 ( 1.899 -15.251 0.000) 15.369 4.778 ( 1.899 15.251 0.000) 15.369 4.843 ( -2.934 -12.391 0.000) 12.733 4.843 ( -2.934 12.391 0.000) 12.733 5.067 ( 2.019 -5.362 0.000) 5.729 5.067 ( 2.019 5.362 0.000) 5.729 5.104 ( 1.807 -9.021 0.000) 9.200 5.104 ( 1.807 9.021 0.000) 9.200 5.320 ( -0.486 -2.437 0.000) 2.485 5.320 ( -0.486 2.437 0.000) 2.485 5.374 ( -2.817 -5.969 0.000) 6.600 5.374 ( -2.817 5.969 0.000) 6.600 5.524 ( 2.752 -11.296 0.000) 11.627 5.524 ( 2.752 11.296 0.000) 11.627 5.568 ( 1.737 -3.497 0.000) 3.904 5.568 ( 1.737 3.497 0.000) 3.904 5.839 ( 0.791 -6.272 0.000) 6.322 5.839 ( 0.791 6.272 0.000) 6.322 5.987 ( -4.182 -3.283 0.000) 5.317 5.987 ( -4.182 3.283 0.000) 5.317 6.049 ( 0.543 -8.900 0.000) 8.917 6.049 ( 0.543 8.900 0.000) 8.917 6.051 ( -1.209 -8.631 0.000) 8.715 6.051 ( -1.209 8.631 0.000) 8.715 6.794 ( -1.357 -2.614 0.000) 2.945 6.794 ( -1.357 2.614 0.000) 2.945 6.808 ( -0.210 -1.818 0.000) 1.830 6.808 ( -0.210 1.818 0.000) 1.830 7.244 ( 1.492 -5.121 0.000) 5.334 7.244 ( 1.492 5.121 0.000) 5.334 7.330 ( -1.629 -5.901 0.000) 6.121 7.330 ( -1.629 5.901 0.000) 6.121 8.383 ( 4.226 -1.739 0.000) 4.570 8.383 ( 4.226 1.739 0.000) 4.570 8.553 ( -3.696 -0.554 0.000) 3.737 8.553 ( -3.696 0.554 0.000) 3.737 9.012 ( 2.134 -4.540 0.000) 5.016 9.012 ( 2.134 4.540 0.000) 5.016 9.039 ( 0.592 -3.776 0.000) 3.822 9.039 ( 0.592 3.776 0.000) 3.822 9.567 ( 0.570 -5.678 0.000) 5.706 9.567 ( 0.570 5.678 0.000) 5.706 9.630 ( -2.378 -4.754 0.000) 5.316 9.630 ( -2.378 4.754 0.000) 5.316 10.061 ( -0.262 -1.629 0.000) 1.650 10.061 ( -0.262 1.629 0.000) 1.650 10.069 ( -0.796 -0.810 0.000) 1.136 10.069 ( -0.796 0.810 0.000) 1.136 10.316 ( 0.937 -1.174 0.000) 1.503 10.316 ( 0.937 1.174 0.000) 1.503 10.319 ( 1.036 -2.121 0.000) 2.360 10.319 ( 1.036 2.121 0.000) 2.360 10.516 ( 0.295 -1.438 0.000) 1.468 10.516 ( 0.295 1.438 0.000) 1.468 10.537 ( -0.557 -4.381 0.000) 4.416 10.537 ( -0.557 4.381 0.000) 4.416 10.808 ( 2.898 -8.266 0.000) 8.759 10.808 ( 2.898 8.266 0.000) 8.759 10.896 ( -1.249 -5.917 0.000) 6.047 10.896 ( -1.249 5.917 0.000) 6.047 11.171 ( 0.260 -6.392 0.000) 6.397 11.171 ( 0.260 6.392 0.000) 6.397 11.203 ( -1.191 -3.414 0.000) 3.616 11.203 ( -1.191 3.414 0.000) 3.616 11.519 ( 1.259 -3.449 0.000) 3.672 11.519 ( 1.259 3.449 0.000) 3.672 11.544 ( 0.160 -5.883 0.000) 5.886 11.544 ( 0.160 5.883 0.000) 5.886 11.799 ( 2.444 -1.235 0.000) 2.739 11.799 ( 2.444 1.235 0.000) 2.739 11.873 ( -0.314 -2.305 0.000) 2.326 11.873 ( -0.314 2.305 0.000) 2.326 12.449 ( 6.071 -3.041 0.000) 6.790 12.449 ( 6.071 3.041 0.000) 6.790 12.508 ( 1.528 -5.934 0.000) 6.127 12.508 ( 1.528 5.934 0.000) 6.127 12.794 ( -5.667 -4.290 0.000) 7.108 12.794 ( -5.667 4.290 0.000) 7.108 12.870 ( -7.416 -8.229 0.000) 11.077 12.870 ( -7.416 8.229 0.000) 11.077 13.546 ( 2.578 -15.199 0.000) 15.416 13.546 ( 2.578 15.199 0.000) 15.416 13.607 ( -0.110 -8.737 0.000) 8.738 13.607 ( -0.110 8.737 0.000) 8.738 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.561 -14.216 0.000) 15.265 1.703 ( 5.561 -14.216 0.000) 15.265 1.703 ( -5.561 14.216 0.000) 15.265 1.703 ( 5.561 14.216 0.000) 15.265 2.002 ( -8.365 -18.756 0.000) 20.537 2.002 ( 8.365 -18.756 0.000) 20.537 2.002 ( -8.365 18.756 0.000) 20.537 2.002 ( 8.365 18.756 0.000) 20.537 2.916 ( -0.008 -9.323 0.000) 9.323 2.916 ( 0.008 -9.323 0.000) 9.323 2.916 ( -0.008 9.323 0.000) 9.323 2.916 ( 0.008 9.323 0.000) 9.323 3.004 ( -12.387 -5.440 0.000) 13.529 3.004 ( -12.387 5.439 0.000) 13.529 3.004 ( 12.387 -5.439 0.000) 13.529 3.004 ( 12.387 5.439 0.000) 13.529 3.821 ( -0.461 -2.635 0.000) 2.675 3.821 ( 0.461 -2.635 0.000) 2.675 3.821 ( -0.461 2.635 0.000) 2.675 3.821 ( 0.461 2.635 0.000) 2.675 4.168 ( -4.370 -2.993 0.000) 5.297 4.168 ( 4.370 -2.993 0.000) 5.297 4.168 ( -4.370 2.993 0.000) 5.297 4.168 ( 4.370 2.993 0.000) 5.297 4.804 ( -1.318 -13.037 0.000) 13.103 4.804 ( 1.318 -13.037 0.000) 13.103 4.804 ( -1.318 13.037 0.000) 13.103 4.804 ( 1.318 13.037 0.000) 13.103 5.107 ( -1.673 -9.409 0.000) 9.556 5.107 ( 1.673 -9.409 0.000) 9.556 5.107 ( -1.673 9.409 0.000) 9.556 5.107 ( 1.673 9.409 0.000) 9.556 5.330 ( -1.774 -3.914 0.000) 4.297 5.330 ( 1.774 -3.914 0.000) 4.297 5.330 ( -1.774 3.914 0.000) 4.297 5.330 ( 1.774 3.914 0.000) 4.297 5.569 ( -1.761 -7.158 0.000) 7.372 5.569 ( 1.761 -7.158 0.000) 7.372 5.569 ( -1.761 7.158 0.000) 7.372 5.569 ( 1.761 7.158 0.000) 7.372 5.894 ( -5.120 -4.491 0.000) 6.811 5.894 ( 5.120 -4.491 0.000) 6.811 5.894 ( -5.120 4.491 0.000) 6.811 5.894 ( 5.120 4.491 0.000) 6.811 6.047 ( -0.448 -7.850 0.000) 7.863 6.047 ( 0.448 -7.850 0.000) 7.863 6.047 ( -0.448 7.850 0.000) 7.863 6.047 ( 0.448 7.850 0.000) 7.863 6.792 ( -1.043 -2.254 0.000) 2.484 6.792 ( 1.043 -2.254 0.000) 2.484 6.792 ( -1.043 2.254 0.000) 2.484 6.792 ( 1.043 2.254 0.000) 2.484 7.286 ( -2.880 -5.473 0.000) 6.184 7.286 ( 2.880 -5.473 0.000) 6.184 7.286 ( -2.880 5.473 0.000) 6.184 7.286 ( 2.880 5.473 0.000) 6.184 8.471 ( -5.147 -1.274 0.000) 5.302 8.471 ( -5.147 1.274 0.000) 5.302 8.471 ( 5.147 -1.274 0.000) 5.302 8.471 ( 5.147 1.274 0.000) 5.302 9.040 ( -0.708 -4.625 0.000) 4.678 9.040 ( 0.708 -4.625 0.000) 4.678 9.040 ( -0.708 4.625 0.000) 4.678 9.040 ( 0.708 4.625 0.000) 4.678 9.588 ( -1.897 -5.001 0.000) 5.349 9.588 ( 1.897 -5.001 0.000) 5.349 9.588 ( -1.897 5.001 0.000) 5.349 9.588 ( 1.897 5.001 0.000) 5.349 10.060 ( -0.200 -0.446 0.000) 0.489 10.060 ( 0.200 -0.446 0.000) 0.489 10.060 ( -0.200 0.446 0.000) 0.489 10.060 ( 0.200 0.446 0.000) 0.489 10.329 ( -0.154 -1.650 0.000) 1.657 10.329 ( 0.154 -1.650 0.000) 1.657 10.329 ( -0.154 1.650 0.000) 1.657 10.329 ( 0.154 1.650 0.000) 1.657 10.525 ( -0.664 -2.047 0.000) 2.152 10.525 ( 0.664 -2.047 0.000) 2.152 10.525 ( -0.664 2.047 0.000) 2.152 10.525 ( 0.664 2.047 0.000) 2.152 10.861 ( -2.648 -7.097 0.000) 7.575 10.861 ( 2.648 -7.097 0.000) 7.575 10.861 ( -2.648 7.097 0.000) 7.575 10.861 ( 2.648 7.097 0.000) 7.575 11.182 ( -0.980 -5.088 0.000) 5.182 11.182 ( 0.980 -5.088 0.000) 5.182 11.182 ( -0.980 5.088 0.000) 5.182 11.182 ( 0.980 5.088 0.000) 5.182 11.539 ( -0.775 -4.624 0.000) 4.688 11.539 ( 0.775 -4.624 0.000) 4.688 11.539 ( -0.775 4.624 0.000) 4.688 11.539 ( 0.775 4.624 0.000) 4.688 11.849 ( -2.482 -0.636 0.000) 2.562 11.849 ( -2.482 0.636 0.000) 2.562 11.849 ( 2.482 -0.636 0.000) 2.562 11.849 ( 2.482 0.636 0.000) 2.562 12.536 ( -0.664 -2.067 0.000) 2.171 12.536 ( 0.664 -2.067 0.000) 2.171 12.536 ( -0.664 2.067 0.000) 2.171 12.536 ( 0.664 2.067 0.000) 2.171 12.745 ( -3.393 -7.917 0.000) 8.614 12.745 ( 3.393 -7.917 0.000) 8.614 12.745 ( -3.393 7.917 0.000) 8.614 12.745 ( 3.393 7.917 0.000) 8.614 13.590 ( -1.904 -13.300 0.000) 13.435 13.590 ( 1.904 -13.300 0.000) 13.435 13.590 ( -1.904 13.300 0.000) 13.435 13.590 ( 1.904 13.300 0.000) 13.435 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.000 0.000 26.044) 26.044 0.587 ( 0.000 0.000 26.969) 26.969 0.946 ( 0.000 0.000 45.636) 45.636 1.109 ( 0.000 0.000 12.647) 12.647 1.632 ( 0.000 0.000 11.814) 11.814 2.083 ( 0.000 0.000 -10.840) 10.840 2.194 ( 0.000 0.000 -7.173) 7.173 2.256 ( 0.000 0.000 -15.757) 15.757 2.326 ( 0.000 0.000 0.253) 0.253 2.442 ( 0.000 0.000 4.076) 4.076 2.540 ( 0.000 0.000 5.903) 5.903 2.942 ( 0.000 0.000 0.605) 0.605 3.004 ( 0.000 0.000 10.491) 10.491 3.074 ( 0.000 0.000 -1.782) 1.782 3.196 ( 0.000 0.000 -2.926) 2.926 3.443 ( 0.000 0.000 0.197) 0.197 3.485 ( 0.000 0.000 -8.339) 8.339 3.521 ( 0.000 0.000 -11.816) 11.816 3.615 ( 0.000 0.000 -3.620) 3.620 3.683 ( 0.000 0.000 -3.972) 3.972 3.851 ( 0.000 0.000 -0.123) 0.123 3.914 ( 0.000 0.000 -0.723) 0.723 3.960 ( 0.000 0.000 0.967) 0.967 4.158 ( 0.000 0.000 -25.015) 25.015 4.415 ( 0.000 0.000 -6.028) 6.028 4.466 ( 0.000 0.000 -3.152) 3.152 4.539 ( 0.000 0.000 -5.504) 5.504 4.594 ( 0.000 0.000 -3.618) 3.618 4.668 ( 0.000 0.000 -2.262) 2.262 4.775 ( 0.000 0.000 -9.684) 9.684 4.803 ( 0.000 0.000 -9.541) 9.541 4.857 ( 0.000 0.000 -28.565) 28.565 4.997 ( 0.000 0.000 -4.267) 4.267 5.190 ( 0.000 0.000 -15.478) 15.478 5.343 ( 0.000 0.000 -16.347) 16.347 5.411 ( 0.000 0.000 -4.940) 4.940 5.439 ( 0.000 0.000 -5.479) 5.479 5.619 ( 0.000 0.000 -3.374) 3.374 5.756 ( 0.000 0.000 -10.259) 10.259 5.795 ( 0.000 0.000 -11.331) 11.331 6.005 ( 0.000 0.000 9.223) 9.223 6.018 ( 0.000 0.000 6.747) 6.747 6.066 ( 0.000 0.000 21.660) 21.660 6.335 ( 0.000 0.000 14.174) 14.174 6.360 ( 0.000 0.000 26.860) 26.860 6.393 ( 0.000 0.000 -2.575) 2.575 6.427 ( 0.000 0.000 -3.027) 3.027 6.819 ( 0.000 0.000 18.221) 18.221 6.933 ( 0.000 0.000 2.204) 2.204 7.033 ( 0.000 0.000 8.076) 8.076 7.086 ( 0.000 0.000 5.164) 5.164 7.113 ( 0.000 0.000 13.572) 13.572 7.331 ( 0.000 0.000 10.538) 10.538 7.339 ( 0.000 0.000 6.985) 6.985 7.627 ( 0.000 0.000 2.719) 2.719 7.825 ( 0.000 0.000 1.222) 1.222 8.414 ( 0.000 0.000 2.145) 2.145 8.434 ( 0.000 0.000 0.325) 0.325 8.592 ( 0.000 0.000 1.537) 1.537 8.665 ( 0.000 0.000 2.894) 2.894 8.829 ( 0.000 0.000 2.821) 2.821 8.956 ( 0.000 0.000 2.615) 2.615 9.106 ( 0.000 0.000 0.357) 0.357 9.178 ( 0.000 0.000 -0.771) 0.771 9.354 ( 0.000 0.000 1.051) 1.051 9.382 ( 0.000 0.000 0.718) 0.718 9.973 ( 0.000 0.000 1.988) 1.988 10.011 ( 0.000 0.000 0.978) 0.978 10.067 ( 0.000 0.000 -2.738) 2.738 10.100 ( 0.000 0.000 -0.010) 0.010 10.103 ( 0.000 0.000 -0.334) 0.334 10.217 ( 0.000 0.000 -3.491) 3.491 10.251 ( 0.000 0.000 -0.929) 0.929 10.297 ( 0.000 0.000 2.669) 2.669 10.420 ( 0.000 0.000 1.818) 1.818 10.521 ( 0.000 0.000 -1.593) 1.593 10.530 ( 0.000 0.000 3.300) 3.300 10.558 ( 0.000 0.000 -2.315) 2.315 10.702 ( 0.000 0.000 1.444) 1.444 10.714 ( 0.000 0.000 2.109) 2.109 10.716 ( 0.000 0.000 -0.149) 0.149 10.735 ( 0.000 0.000 7.657) 7.657 10.792 ( 0.000 0.000 -0.759) 0.759 10.810 ( 0.000 0.000 0.113) 0.113 10.913 ( 0.000 0.000 5.782) 5.782 10.990 ( 0.000 0.000 -1.454) 1.454 11.247 ( 0.000 0.000 -6.197) 6.197 11.311 ( 0.000 0.000 1.738) 1.738 11.382 ( 0.000 0.000 0.927) 0.927 11.534 ( 0.000 0.000 3.106) 3.106 11.553 ( 0.000 0.000 7.404) 7.404 11.629 ( 0.000 0.000 -1.048) 1.048 11.783 ( 0.000 0.000 -7.862) 7.862 11.898 ( 0.000 0.000 3.999) 3.999 12.002 ( 0.000 0.000 -1.224) 1.224 12.015 ( 0.000 0.000 6.705) 6.705 12.356 ( 0.000 0.000 -1.246) 1.246 12.450 ( 0.000 0.000 -4.425) 4.425 12.463 ( 0.000 0.000 1.515) 1.515 12.480 ( 0.000 0.000 0.700) 0.700 12.500 ( 0.000 0.000 1.783) 1.783 12.791 ( 0.000 0.000 1.847) 1.847 12.813 ( 0.000 0.000 4.408) 4.408 12.963 ( 0.000 0.000 3.161) 3.161 12.979 ( 0.000 0.000 1.838) 1.838 13.526 ( 0.000 0.000 7.111) 7.111 13.737 ( 0.000 0.000 -6.708) 6.708 14.315 ( 0.000 0.000 -2.868) 2.868 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 9.724 0.000 22.867) 24.849 0.709 ( 16.634 0.000 19.836) 25.888 1.046 ( -6.812 0.000 13.782) 15.373 1.300 ( 31.369 0.000 29.121) 42.803 1.465 ( -17.768 0.000 10.529) 20.653 2.096 ( 1.424 0.000 -10.184) 10.283 2.138 ( -9.343 0.000 -6.480) 11.370 2.174 ( -2.064 0.000 -7.667) 7.940 2.394 ( 6.116 0.000 -1.709) 6.351 2.452 ( 1.149 0.000 4.624) 4.765 2.520 ( -1.961 0.000 5.966) 6.280 2.802 ( -13.143 0.000 3.795) 13.680 3.003 ( 1.524 0.000 6.058) 6.247 3.085 ( -0.793 0.000 0.413) 0.894 3.253 ( 5.636 0.000 -2.978) 6.374 3.426 ( -1.881 0.000 -9.402) 9.588 3.434 ( -1.842 0.000 -1.487) 2.368 3.547 ( -2.567 0.000 -8.961) 9.321 3.635 ( 3.097 0.000 -4.415) 5.393 3.714 ( 2.977 0.000 -5.138) 5.938 3.833 ( -1.758 0.000 0.149) 1.764 3.865 ( -5.165 0.000 -0.111) 5.166 3.913 ( -2.410 0.000 -0.634) 2.492 4.023 ( -11.001 0.000 -15.264) 18.815 4.403 ( -4.287 0.000 -2.418) 4.922 4.484 ( 0.467 0.000 -3.724) 3.754 4.523 ( 8.362 0.000 -15.084) 17.247 4.645 ( 0.031 0.000 0.057) 0.065 4.694 ( 1.232 0.000 -3.712) 3.912 4.754 ( -3.302 0.000 -13.481) 13.880 4.829 ( 2.519 0.000 -9.765) 10.084 4.861 ( 1.097 0.000 -17.365) 17.400 4.991 ( -0.158 0.000 -9.150) 9.151 5.135 ( -5.392 0.000 -15.537) 16.446 5.358 ( -1.898 0.000 -3.372) 3.869 5.367 ( 0.623 0.000 -12.207) 12.223 5.446 ( 1.169 0.000 -8.893) 8.970 5.613 ( -3.228 0.000 -10.613) 11.093 5.722 ( 0.261 0.000 -3.397) 3.407 5.822 ( -3.805 0.000 2.064) 4.328 5.917 ( 3.078 0.000 3.546) 4.696 6.060 ( -0.917 0.000 8.086) 8.138 6.131 ( 6.570 0.000 21.355) 22.342 6.316 ( -1.674 0.000 20.516) 20.585 6.392 ( 0.123 0.000 -3.060) 3.062 6.413 ( 4.895 0.000 20.429) 21.007 6.421 ( -0.689 0.000 -2.411) 2.508 6.701 ( -9.754 0.000 16.263) 18.964 6.980 ( 2.548 0.000 3.909) 4.666 6.984 ( -1.660 0.000 14.254) 14.350 7.058 ( -2.656 0.000 4.490) 5.216 7.123 ( -8.505 0.000 14.976) 17.223 7.200 ( 2.569 0.000 14.092) 14.324 7.325 ( -2.021 0.000 7.667) 7.929 7.648 ( 2.162 0.000 3.338) 3.977 7.777 ( -4.374 0.000 2.872) 5.233 8.403 ( 3.630 0.000 2.425) 4.366 8.485 ( 4.722 0.000 -0.604) 4.761 8.593 ( -0.274 0.000 0.961) 0.999 8.669 ( -4.796 0.000 -2.294) 5.316 8.849 ( 1.688 0.000 2.631) 3.126 8.931 ( -2.647 0.000 2.313) 3.515 9.157 ( 3.861 0.000 0.267) 3.870 9.196 ( 1.410 0.000 -1.417) 1.999 9.360 ( 0.661 0.000 0.970) 1.174 9.380 ( -0.210 0.000 0.725) 0.755 9.982 ( 2.226 0.000 4.871) 5.356 10.032 ( 1.595 0.000 -1.381) 2.109 10.075 ( -0.224 0.000 -2.268) 2.279 10.092 ( -0.474 0.000 -0.153) 0.498 10.100 ( -0.490 0.000 0.072) 0.495 10.188 ( -0.698 0.000 -1.392) 1.557 10.229 ( -5.555 0.000 2.663) 6.160 10.308 ( -6.629 0.000 8.900) 11.098 10.328 ( -1.999 0.000 4.626) 5.040 10.403 ( -1.737 0.000 1.859) 2.544 10.528 ( 0.653 0.000 -1.672) 1.795 10.554 ( -0.467 0.000 -2.162) 2.212 10.703 ( 0.211 0.000 0.889) 0.914 10.712 ( 1.578 0.000 4.066) 4.361 10.716 ( -0.112 0.000 0.048) 0.121 10.753 ( 0.195 0.000 6.080) 6.083 10.793 ( 0.153 0.000 -0.474) 0.499 10.807 ( -0.351 0.000 0.133) 0.376 10.891 ( -0.563 0.000 5.019) 5.050 10.925 ( -1.614 0.000 2.565) 3.030 11.329 ( 2.051 0.000 1.707) 2.668 11.370 ( 3.333 0.000 -4.063) 5.255 11.398 ( 1.687 0.000 -1.984) 2.604 11.462 ( -5.040 0.000 1.927) 5.396 11.576 ( 2.956 0.000 2.650) 3.970 11.722 ( 7.201 0.000 -0.022) 7.202 11.741 ( -4.277 0.000 -5.323) 6.829 11.894 ( 0.672 0.000 2.888) 2.966 11.959 ( -4.574 0.000 -0.851) 4.652 11.977 ( -3.228 0.000 5.283) 6.191 12.347 ( -0.608 0.000 -1.324) 1.457 12.368 ( -1.869 0.000 -0.404) 1.912 12.478 ( -0.068 0.000 0.888) 0.891 12.493 ( -0.694 0.000 1.635) 1.776 12.597 ( 6.482 0.000 -1.864) 6.745 12.775 ( -2.849 0.000 -0.397) 2.877 12.842 ( 2.905 0.000 4.066) 4.998 12.946 ( -1.820 0.000 3.263) 3.736 13.072 ( 9.043 0.000 1.784) 9.217 13.439 ( -8.116 0.000 4.837) 9.448 14.053 ( 19.392 0.000 -19.179) 27.274 14.315 ( -0.536 0.000 -5.489) 5.515 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -11.051 0.000 17.187) 20.434 0.881 ( 11.051 0.000 17.187) 20.434 1.074 ( -22.700 0.000 11.779) 25.574 1.074 ( 22.700 0.000 11.779) 25.574 1.853 ( -25.160 0.000 9.087) 26.750 1.853 ( 25.160 0.000 9.087) 26.750 2.131 ( -2.427 0.000 -8.821) 9.149 2.131 ( 2.427 0.000 -8.821) 9.149 2.482 ( -2.088 0.000 5.566) 5.944 2.482 ( 2.088 0.000 5.566) 5.944 2.557 ( -12.316 0.000 -0.120) 12.316 2.557 ( 12.316 0.000 -0.120) 12.316 3.047 ( -2.940 0.000 3.081) 4.259 3.047 ( 2.940 0.000 3.081) 4.259 3.363 ( -5.782 0.000 -2.781) 6.416 3.363 ( 5.782 0.000 -2.781) 6.416 3.453 ( -4.922 0.000 -7.654) 9.100 3.453 ( 4.922 0.000 -7.654) 9.100 3.721 ( -4.369 0.000 -6.672) 7.975 3.721 ( 4.369 0.000 -6.672) 7.975 3.851 ( -6.393 0.000 -4.432) 7.779 3.851 ( 6.393 0.000 -4.432) 7.779 3.852 ( -3.145 0.000 -1.606) 3.532 3.852 ( 3.145 0.000 -1.606) 3.532 4.432 ( -5.138 0.000 -2.923) 5.911 4.432 ( 5.138 0.000 -2.923) 5.911 4.661 ( -6.737 0.000 -18.810) 19.980 4.661 ( 6.737 0.000 -18.810) 19.980 4.671 ( -2.823 0.000 -1.710) 3.300 4.671 ( 2.823 0.000 -1.710) 3.300 4.868 ( -1.354 0.000 -5.865) 6.019 4.868 ( 1.354 0.000 -5.865) 6.019 5.032 ( -5.082 0.000 -16.498) 17.263 5.032 ( 5.082 0.000 -16.498) 17.263 5.353 ( -1.293 0.000 -4.016) 4.219 5.353 ( 1.293 0.000 -4.016) 4.219 5.519 ( -5.863 0.000 -14.358) 15.509 5.519 ( 5.863 0.000 -14.358) 15.509 5.759 ( -3.103 0.000 3.663) 4.800 5.759 ( 3.103 0.000 3.663) 4.800 6.005 ( -4.748 0.000 3.955) 6.179 6.005 ( 4.748 0.000 3.955) 6.179 6.254 ( -5.767 0.000 21.585) 22.342 6.254 ( 5.767 0.000 21.585) 22.342 6.403 ( -1.103 0.000 -2.490) 2.723 6.403 ( 1.103 0.000 -2.490) 2.723 6.530 ( -8.420 0.000 17.809) 19.699 6.530 ( 8.420 0.000 17.809) 19.699 7.008 ( -3.911 0.000 15.400) 15.889 7.008 ( 3.911 0.000 15.400) 15.889 7.014 ( -1.928 0.000 3.517) 4.011 7.014 ( 1.928 0.000 3.517) 4.011 7.272 ( -3.793 0.000 9.520) 10.248 7.272 ( 3.793 0.000 9.520) 10.248 7.701 ( -3.726 0.000 4.051) 5.504 7.701 ( 3.726 0.000 4.051) 5.504 8.530 ( -9.070 0.000 -0.815) 9.106 8.530 ( 9.070 0.000 -0.815) 9.106 8.564 ( -3.289 0.000 -0.407) 3.315 8.564 ( 3.289 0.000 -0.407) 3.315 8.881 ( -2.310 0.000 2.903) 3.710 8.881 ( 2.310 0.000 2.903) 3.710 9.203 ( -1.056 0.000 -0.721) 1.278 9.203 ( 1.056 0.000 -0.721) 1.278 9.373 ( -0.633 0.000 0.800) 1.021 9.373 ( 0.633 0.000 0.800) 1.021 10.041 ( -2.999 0.000 0.702) 3.080 10.041 ( 2.999 0.000 0.702) 3.080 10.088 ( -5.829 0.000 6.016) 8.377 10.088 ( 5.829 0.000 6.016) 8.377 10.091 ( -0.363 0.000 0.099) 0.377 10.091 ( 0.363 0.000 0.099) 0.377 10.224 ( -3.198 0.000 0.492) 3.235 10.224 ( 3.198 0.000 0.492) 3.235 10.365 ( -2.356 0.000 1.819) 2.976 10.365 ( 2.356 0.000 1.819) 2.976 10.542 ( -0.826 0.000 -1.878) 2.052 10.542 ( 0.826 0.000 -1.878) 2.052 10.710 ( -0.461 0.000 0.276) 0.537 10.710 ( 0.461 0.000 0.276) 0.537 10.742 ( -1.347 0.000 5.674) 5.832 10.742 ( 1.347 0.000 5.674) 5.832 10.799 ( -0.485 0.000 -0.006) 0.485 10.799 ( 0.485 0.000 -0.006) 0.485 10.901 ( -1.135 0.000 3.158) 3.356 10.901 ( 1.135 0.000 3.158) 3.356 11.382 ( -3.796 0.000 1.697) 4.158 11.382 ( 3.796 0.000 1.697) 4.158 11.401 ( -1.088 0.000 -0.538) 1.214 11.401 ( 1.088 0.000 -0.538) 1.214 11.653 ( -5.129 0.000 -2.562) 5.733 11.653 ( 5.129 0.000 -2.562) 5.733 11.852 ( -7.041 0.000 -0.227) 7.044 11.852 ( 7.041 0.000 -0.227) 7.044 11.923 ( -2.489 0.000 2.865) 3.795 11.923 ( 2.489 0.000 2.865) 3.795 12.348 ( -0.618 0.000 -0.971) 1.151 12.348 ( 0.618 0.000 -0.971) 1.151 12.481 ( -0.500 0.000 1.267) 1.362 12.481 ( 0.500 0.000 1.267) 1.362 12.700 ( -5.164 0.000 -1.320) 5.330 12.700 ( 5.164 0.000 -1.320) 5.330 12.900 ( -3.215 0.000 3.565) 4.801 12.900 ( 3.215 0.000 3.565) 4.801 13.260 ( -11.133 0.000 3.609) 11.704 13.260 ( 11.133 0.000 3.609) 11.704 14.266 ( -5.976 0.000 -12.329) 13.701 14.266 ( 5.976 0.000 -12.329) 13.701 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 15.882 20.422) 25.870 0.770 ( 0.000 14.499 20.419) 25.043 1.381 ( 0.000 17.025 6.049) 18.067 1.431 ( 0.000 35.495 25.827) 43.897 1.735 ( 0.000 11.425 12.855) 17.198 1.948 ( 0.000 -12.826 -11.709) 17.366 2.192 ( 0.000 5.460 -7.470) 9.253 2.323 ( 0.000 5.759 -5.990) 8.309 2.353 ( 0.000 -0.340 -4.024) 4.039 2.496 ( 0.000 8.933 0.221) 8.935 2.695 ( 0.000 4.086 3.291) 5.247 2.881 ( 0.000 -3.258 1.145) 3.454 3.007 ( 0.000 -2.149 -1.229) 2.476 3.063 ( 0.000 0.362 -0.948) 1.015 3.247 ( 0.000 1.395 -2.137) 2.552 3.403 ( 0.000 -0.081 -4.117) 4.118 3.537 ( 0.000 -0.207 4.295) 4.300 3.597 ( 0.000 8.208 -9.868) 12.835 3.680 ( 0.000 8.734 -5.221) 10.175 3.731 ( 0.000 2.909 -5.747) 6.442 3.914 ( 0.000 0.803 -2.666) 2.785 3.989 ( 0.000 8.202 -0.777) 8.239 3.990 ( 0.000 4.712 -1.366) 4.906 4.170 ( 0.000 -1.192 -15.006) 15.053 4.359 ( 0.000 -6.203 1.035) 6.289 4.460 ( 0.000 4.863 -4.096) 6.358 4.513 ( 0.000 -4.430 -6.148) 7.578 4.609 ( 0.000 10.678 -6.844) 12.683 4.675 ( 0.000 1.101 -7.626) 7.705 4.829 ( 0.000 3.247 -0.640) 3.310 4.906 ( 0.000 9.980 -13.073) 16.447 4.907 ( 0.000 4.588 -23.095) 23.547 5.016 ( 0.000 1.481 -6.140) 6.316 5.189 ( 0.000 -0.722 -17.883) 17.898 5.357 ( 0.000 0.718 -15.056) 15.073 5.416 ( 0.000 0.672 -3.842) 3.900 5.484 ( 0.000 2.225 -2.756) 3.542 5.566 ( 0.000 -5.125 -5.450) 7.481 5.723 ( 0.000 -1.608 -8.935) 9.079 5.738 ( 0.000 -5.494 -6.528) 8.532 5.856 ( 0.000 -8.901 10.248) 13.574 5.864 ( 0.000 -8.290 10.577) 13.438 6.126 ( 0.000 1.593 14.365) 14.453 6.199 ( 0.000 -8.800 5.868) 10.577 6.314 ( 0.000 -8.207 5.648) 9.963 6.354 ( 0.000 -2.568 17.509) 17.696 6.390 ( 0.000 -3.079 3.737) 4.843 6.723 ( 0.000 -9.013 15.642) 18.053 6.911 ( 0.000 -1.888 1.328) 2.308 6.996 ( 0.000 -5.320 17.041) 17.852 7.018 ( 0.000 -1.202 9.598) 9.673 7.060 ( 0.000 -2.292 10.774) 11.015 7.293 ( 0.000 0.106 12.664) 12.664 7.336 ( 0.000 -0.065 7.622) 7.623 7.578 ( 0.000 -4.205 4.348) 6.049 7.761 ( 0.000 -5.466 3.094) 6.281 8.363 ( 0.000 -1.633 4.032) 4.350 8.425 ( 0.000 -0.882 0.354) 0.951 8.616 ( 0.000 0.043 0.215) 0.220 8.655 ( 0.000 -0.835 2.853) 2.973 8.847 ( 0.000 2.103 2.604) 3.347 8.957 ( 0.000 0.401 2.346) 2.380 9.097 ( 0.000 -0.746 0.028) 0.746 9.150 ( 0.000 -2.389 -0.671) 2.482 9.386 ( 0.000 2.607 0.640) 2.684 9.448 ( 0.000 4.200 -1.686) 4.525 9.920 ( 0.000 -4.724 2.565) 5.375 9.971 ( 0.000 -5.797 0.177) 5.799 10.067 ( 0.000 -0.315 -4.244) 4.256 10.102 ( 0.000 0.069 1.545) 1.546 10.115 ( 0.000 0.991 -0.346) 1.050 10.150 ( 0.000 -15.202 13.055) 20.038 10.228 ( 0.000 -1.552 -1.658) 2.271 10.231 ( 0.000 -0.438 -2.625) 2.661 10.304 ( 0.000 1.112 2.425) 2.668 10.408 ( 0.000 -0.365 1.189) 1.243 10.454 ( 0.000 -2.103 1.469) 2.566 10.542 ( 0.000 -2.322 4.820) 5.350 10.557 ( 0.000 2.388 -1.015) 2.595 10.670 ( 0.000 -5.132 1.730) 5.416 10.696 ( 0.000 -1.350 2.824) 3.130 10.719 ( 0.000 2.332 0.157) 2.337 10.852 ( 0.000 8.726 1.876) 8.926 10.990 ( 0.000 4.083 2.353) 4.713 11.010 ( 0.000 11.779 1.217) 11.841 11.175 ( 0.000 -5.693 -4.113) 7.024 11.229 ( 0.000 2.018 -0.445) 2.066 11.285 ( 0.000 1.255 -3.204) 3.441 11.367 ( 0.000 0.386 5.812) 5.824 11.501 ( 0.000 -3.272 6.971) 7.701 11.610 ( 0.000 1.146 2.747) 2.977 11.646 ( 0.000 0.981 -1.184) 1.538 11.774 ( 0.000 -0.851 -6.520) 6.575 11.863 ( 0.000 -3.017 3.755) 4.817 11.975 ( 0.000 -2.951 5.802) 6.510 12.097 ( 0.000 7.424 -0.365) 7.433 12.199 ( 0.000 -10.035 1.362) 10.127 12.379 ( 0.000 -2.211 1.486) 2.664 12.419 ( 0.000 0.407 -4.432) 4.450 12.621 ( 0.000 4.286 2.079) 4.764 12.661 ( 0.000 8.481 0.718) 8.511 12.757 ( 0.000 1.069 2.901) 3.092 12.831 ( 0.000 1.792 4.676) 5.008 12.977 ( 0.000 4.470 2.276) 5.016 13.390 ( 0.000 13.981 -18.252) 22.991 13.443 ( 0.000 -7.011 6.643) 9.658 13.676 ( 0.000 -5.139 -6.525) 8.306 14.183 ( 0.000 -11.484 -2.253) 11.703 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 12.745 13.705 13.010) 22.793 0.966 ( 15.232 14.490 15.077) 25.870 1.310 ( -7.343 16.405 6.455) 19.098 1.540 ( -16.149 9.523 8.323) 20.512 1.614 ( 17.312 26.797 21.925) 38.710 2.009 ( 2.633 -3.457 -4.832) 6.499 2.253 ( 5.439 7.120 -7.692) 11.809 2.276 ( -2.959 1.933 -5.485) 6.525 2.357 ( -0.561 1.654 -1.099) 2.064 2.507 ( 0.519 6.653 -0.020) 6.673 2.691 ( -0.195 8.126 2.217) 8.425 2.790 ( -8.432 0.636 0.501) 8.471 2.958 ( -3.623 -5.068 1.235) 6.351 3.023 ( -4.389 -2.973 0.904) 5.377 3.254 ( 0.529 -2.741 -2.306) 3.621 3.432 ( -3.770 -0.200 -1.650) 4.120 3.504 ( 1.491 6.691 -3.476) 7.686 3.624 ( 5.729 1.173 -4.166) 7.180 3.671 ( -0.139 7.407 -8.223) 11.068 3.763 ( 0.820 6.199 -5.909) 8.603 3.884 ( -3.369 1.350 -1.635) 3.980 3.951 ( -3.257 8.428 -2.959) 9.508 3.984 ( 0.104 7.842 -1.960) 8.084 4.081 ( -7.862 2.863 -7.940) 11.535 4.308 ( -0.989 -4.129 -1.652) 4.556 4.481 ( -4.858 -1.670 -3.754) 6.363 4.512 ( 4.010 1.145 -6.437) 7.670 4.629 ( 1.153 1.968 -10.146) 10.399 4.725 ( 3.957 5.914 -6.288) 9.496 4.817 ( -0.820 2.867 -7.126) 7.725 4.919 ( 1.328 4.933 -14.884) 15.736 4.936 ( 2.196 9.233 -11.060) 14.574 5.023 ( 0.845 2.553 -10.321) 10.665 5.151 ( -3.958 0.602 -17.153) 17.614 5.362 ( -0.824 -0.988 -6.729) 6.851 5.392 ( 1.005 2.692 -9.100) 9.543 5.483 ( -1.366 2.041 -4.813) 5.403 5.563 ( -1.217 -3.773 -10.491) 11.215 5.691 ( -0.142 -2.508 -1.819) 3.102 5.779 ( -3.661 -4.319 8.680) 10.364 5.821 ( 5.842 -5.959 -4.459) 9.462 5.926 ( 2.261 -9.261 9.053) 13.147 6.157 ( 2.952 -0.899 14.681) 15.002 6.200 ( 0.071 -8.542 6.804) 10.921 6.312 ( -0.326 -8.892 1.619) 9.044 6.345 ( -1.094 -2.693 14.346) 14.637 6.408 ( 2.485 -3.267 10.073) 10.878 6.634 ( -8.145 -6.529 14.067) 17.517 6.933 ( 1.538 -3.521 5.155) 6.429 6.954 ( -0.692 -1.990 12.645) 12.820 7.025 ( -1.544 -1.004 11.052) 11.204 7.069 ( -1.677 -4.494 9.422) 10.573 7.249 ( -0.671 2.929 13.141) 13.480 7.328 ( -1.195 0.640 8.701) 8.806 7.600 ( 2.079 -4.290 4.622) 6.639 7.718 ( -3.923 -5.020 4.295) 7.684 8.393 ( 4.067 -0.614 2.550) 4.840 8.475 ( 4.627 -1.041 -0.268) 4.750 8.579 ( -2.559 -0.839 1.125) 2.919 8.640 ( -3.606 -2.079 0.342) 4.177 8.873 ( 1.638 2.123 2.199) 3.467 8.931 ( -2.058 0.703 2.368) 3.215 9.143 ( 3.483 -1.257 0.051) 3.704 9.169 ( 1.626 -2.311 -1.075) 3.023 9.394 ( 0.835 2.673 0.545) 2.853 9.435 ( -1.210 3.863 -0.959) 4.160 9.911 ( 0.399 -5.858 3.977) 7.092 9.991 ( 0.062 -8.419 2.495) 8.781 10.064 ( -2.813 -3.479 1.099) 4.607 10.068 ( -0.856 -0.682 -1.975) 2.258 10.099 ( -1.273 -3.418 4.502) 5.794 10.108 ( -1.087 0.344 0.460) 1.230 10.204 ( 0.367 1.347 -0.831) 1.624 10.265 ( -0.597 0.240 -0.584) 0.869 10.318 ( 1.696 0.161 2.240) 2.815 10.386 ( -1.870 -0.819 1.571) 2.576 10.500 ( 3.505 -2.859 0.208) 4.528 10.568 ( 0.699 1.770 -0.734) 2.040 10.575 ( 2.689 -2.693 2.333) 4.464 10.664 ( -1.125 -2.258 2.575) 3.605 10.674 ( -0.838 -2.378 1.870) 3.139 10.718 ( -0.705 0.069 1.570) 1.722 10.876 ( 2.448 8.064 1.983) 8.657 10.967 ( -1.911 6.389 2.332) 7.065 11.034 ( 1.891 9.211 0.975) 9.454 11.122 ( -3.442 3.492 -1.262) 5.063 11.253 ( 1.523 -3.149 -0.413) 3.522 11.299 ( 0.102 -1.110 -2.317) 2.571 11.383 ( 2.048 -0.054 4.750) 5.173 11.480 ( -2.274 -2.316 6.061) 6.876 11.601 ( 1.369 1.419 0.212) 1.983 11.707 ( 0.721 -1.475 -1.503) 2.226 11.759 ( 2.234 1.193 -2.033) 3.248 11.876 ( 0.942 -2.212 1.470) 2.818 11.953 ( -2.185 -1.751 4.473) 5.278 12.019 ( -5.991 2.482 0.894) 6.546 12.277 ( 6.165 -3.701 0.257) 7.195 12.373 ( 1.261 1.235 -0.278) 1.787 12.469 ( 1.699 0.441 -1.842) 2.545 12.535 ( -6.079 3.630 0.339) 7.089 12.661 ( -2.288 2.596 3.019) 4.593 12.752 ( -3.997 1.931 2.073) 4.899 12.858 ( 8.655 -0.144 2.861) 9.116 13.035 ( 4.664 6.039 2.995) 8.197 13.219 ( -8.578 7.965 -6.058) 13.180 13.367 ( -7.695 -5.408 4.650) 10.492 13.935 ( 15.738 -9.135 -13.416) 22.608 14.180 ( -0.840 -11.574 -4.317) 12.381 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -15.479 11.857 7.479) 20.883 1.104 ( 15.479 11.857 7.479) 20.883 1.236 ( -15.392 15.377 9.146) 23.601 1.236 ( 15.392 15.377 9.146) 23.601 1.940 ( -13.032 10.534 8.612) 18.841 1.940 ( 13.032 10.534 8.612) 18.841 2.258 ( -1.867 4.595 -4.075) 6.419 2.258 ( 1.867 4.595 -4.075) 6.419 2.446 ( -8.142 1.819 -1.209) 8.429 2.446 ( 8.142 1.819 -1.209) 8.429 2.688 ( -0.885 8.740 -0.924) 8.833 2.688 ( 0.885 8.740 -0.924) 8.833 2.945 ( -2.868 -7.058 3.324) 8.312 2.945 ( 2.868 -7.058 3.324) 8.312 3.300 ( -5.613 -4.081 -1.627) 7.128 3.300 ( 5.613 -4.081 -1.627) 7.128 3.618 ( -6.000 9.653 -5.659) 12.697 3.618 ( 6.000 9.653 -5.659) 12.697 3.736 ( -3.799 1.428 -8.508) 9.427 3.736 ( 3.799 1.428 -8.508) 9.427 3.875 ( -4.465 6.291 -4.377) 8.870 3.875 ( 4.465 6.291 -4.377) 8.870 3.989 ( -1.188 8.101 -0.185) 8.190 3.989 ( 1.188 8.101 -0.185) 8.190 4.366 ( -6.292 -3.924 -3.152) 8.058 4.366 ( 6.292 -3.924 -3.152) 8.058 4.594 ( -4.200 1.183 -8.367) 9.437 4.594 ( 4.200 1.183 -8.367) 9.437 4.790 ( -2.775 4.776 -9.633) 11.104 4.790 ( 2.775 4.776 -9.633) 11.104 4.946 ( -1.461 6.782 -7.770) 10.416 4.946 ( 1.461 6.782 -7.770) 10.416 5.069 ( -4.499 2.853 -16.640) 17.472 5.069 ( 4.499 2.853 -16.640) 17.472 5.377 ( -2.493 0.801 -3.842) 4.649 5.377 ( 2.493 0.801 -3.842) 4.649 5.508 ( -3.980 -0.169 -12.904) 13.505 5.508 ( 3.980 -0.169 -12.904) 13.505 5.723 ( -2.970 -3.101 4.037) 5.894 5.723 ( 2.970 -3.101 4.037) 5.894 5.915 ( -3.685 -7.297 2.969) 8.697 5.915 ( 3.685 -7.297 2.969) 8.697 6.200 ( -0.876 -6.578 11.719) 13.467 6.200 ( 0.876 -6.578 11.719) 13.467 6.317 ( -1.421 -5.498 5.921) 8.204 6.317 ( 1.421 -5.498 5.921) 8.204 6.490 ( -6.804 -4.408 13.577) 15.813 6.490 ( 6.804 -4.408 13.577) 15.813 6.958 ( -0.352 -2.577 8.372) 8.767 6.958 ( 0.352 -2.577 8.372) 8.767 7.012 ( -1.866 -1.838 10.510) 10.831 7.012 ( 1.866 -1.838 10.510) 10.831 7.288 ( -3.091 1.610 10.514) 11.077 7.288 ( 3.091 1.610 10.514) 11.077 7.649 ( -3.420 -4.493 5.191) 7.670 7.649 ( 3.420 -4.493 5.191) 7.670 8.500 ( -6.583 -1.656 0.738) 6.828 8.500 ( 6.583 -1.656 0.738) 6.828 8.559 ( -4.491 -1.024 -0.253) 4.613 8.559 ( 4.491 -1.024 -0.253) 4.613 8.897 ( -1.558 1.729 2.453) 3.381 8.897 ( 1.558 1.729 2.453) 3.381 9.183 ( -0.649 -1.834 -0.713) 2.072 9.183 ( 0.649 -1.834 -0.713) 2.072 9.412 ( -1.235 3.095 0.081) 3.334 9.412 ( 1.235 3.095 0.081) 3.334 9.946 ( -3.187 -8.597 6.101) 11.014 9.946 ( 3.187 -8.597 6.101) 11.014 10.056 ( -1.100 -0.785 -3.127) 3.407 10.056 ( 1.100 -0.785 -3.127) 3.407 10.092 ( -0.451 -0.933 1.798) 2.075 10.092 ( 0.451 -0.933 1.798) 2.075 10.233 ( -2.302 1.808 -0.103) 2.930 10.233 ( 2.302 1.808 -0.103) 2.930 10.351 ( -1.927 -0.609 1.723) 2.656 10.351 ( 1.927 -0.609 1.723) 2.656 10.554 ( -2.239 -0.856 -0.733) 2.507 10.554 ( 2.239 -0.856 -0.733) 2.507 10.623 ( -2.649 -0.971 1.384) 3.143 10.623 ( 2.649 -0.971 1.384) 3.143 10.693 ( -1.798 -2.253 2.714) 3.959 10.693 ( 1.798 -2.253 2.714) 3.959 10.925 ( -2.696 7.127 2.249) 7.946 10.925 ( 2.696 7.127 2.249) 7.946 11.072 ( -2.330 7.388 0.325) 7.753 11.072 ( 2.330 7.388 0.325) 7.753 11.282 ( -1.570 -2.836 -0.638) 3.303 11.282 ( 1.570 -2.836 -0.638) 3.303 11.431 ( -2.956 -0.783 4.861) 5.742 11.431 ( 2.956 -0.783 4.861) 5.742 11.653 ( -3.879 0.071 -1.545) 4.176 11.653 ( 3.879 0.071 -1.545) 4.176 11.855 ( -4.963 -0.442 0.022) 4.982 11.855 ( 4.963 -0.442 0.022) 4.982 11.935 ( -2.011 0.372 2.685) 3.375 11.935 ( 2.011 0.372 2.685) 3.375 12.383 ( -4.019 2.690 -1.087) 4.957 12.383 ( 4.019 2.690 -1.087) 4.957 12.455 ( -0.825 -0.195 0.756) 1.136 12.455 ( 0.825 -0.195 0.756) 1.136 12.673 ( -3.573 -0.513 2.123) 4.188 12.673 ( 3.573 -0.513 2.123) 4.188 13.026 ( -7.403 6.383 0.657) 9.797 13.026 ( 7.403 6.383 0.657) 9.797 13.211 ( -7.762 -2.745 2.565) 8.623 13.211 ( 7.762 -2.745 2.565) 8.623 14.125 ( -6.088 -11.543 -9.340) 16.048 14.125 ( 6.088 -11.543 -9.340) 16.048 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 23.097 13.431) 26.719 1.169 ( 0.000 21.361 3.977) 21.728 1.648 ( 0.000 8.884 -1.358) 8.988 1.785 ( 0.000 -4.045 -11.035) 11.753 1.992 ( 0.000 1.925 6.952) 7.214 2.105 ( 0.000 7.154 9.057) 11.541 2.158 ( 0.000 -6.315 -0.814) 6.367 2.257 ( 0.000 4.312 10.402) 11.260 2.450 ( 0.000 16.674 -5.640) 17.602 2.749 ( 0.000 -1.619 11.304) 11.419 2.792 ( 0.000 11.862 -3.433) 12.349 2.821 ( 0.000 -6.059 -9.968) 11.665 2.951 ( 0.000 4.383 -10.819) 11.673 3.050 ( 0.000 -4.317 -5.734) 7.177 3.279 ( 0.000 5.071 2.247) 5.546 3.495 ( 0.000 1.804 2.385) 2.990 3.564 ( 0.000 9.271 -1.528) 9.396 3.694 ( 0.000 -0.836 -0.812) 1.165 3.697 ( 0.000 -7.636 -3.231) 8.291 3.854 ( 0.000 6.894 -12.956) 14.676 3.986 ( 0.000 2.814 -4.235) 5.085 4.021 ( 0.000 -9.408 -4.003) 10.224 4.114 ( 0.000 5.690 -0.950) 5.769 4.263 ( 0.000 18.133 -2.689) 18.331 4.437 ( 0.000 -4.844 -3.517) 5.986 4.474 ( 0.000 13.137 -3.907) 13.706 4.621 ( 0.000 9.074 -10.614) 13.964 4.736 ( 0.000 4.687 -15.734) 16.417 4.902 ( 0.000 3.822 -3.504) 5.185 4.907 ( 0.000 14.576 -4.557) 15.272 5.043 ( 0.000 0.599 -6.150) 6.179 5.047 ( 0.000 7.621 -13.777) 15.745 5.171 ( 0.000 0.420 -14.085) 14.092 5.208 ( 0.000 14.685 -4.090) 15.244 5.287 ( 0.000 -7.592 -7.915) 10.967 5.385 ( 0.000 -9.888 -7.402) 12.352 5.401 ( 0.000 -6.364 -3.929) 7.479 5.457 ( 0.000 -3.411 -1.730) 3.825 5.626 ( 0.000 -0.267 2.875) 2.887 5.653 ( 0.000 -9.094 -0.569) 9.111 5.726 ( 0.000 -3.265 -2.615) 4.183 5.817 ( 0.000 6.981 -3.975) 8.033 6.052 ( 0.000 -3.085 2.133) 3.751 6.062 ( 0.000 -13.177 1.061) 13.219 6.121 ( 0.000 -1.380 7.351) 7.479 6.254 ( 0.000 -8.788 2.477) 9.130 6.286 ( 0.000 -4.289 18.352) 18.847 6.478 ( 0.000 -12.681 10.848) 16.688 6.865 ( 0.000 -1.815 2.131) 2.799 6.902 ( 0.000 -3.456 12.975) 13.427 6.995 ( 0.000 -0.535 12.905) 12.916 7.028 ( 0.000 -1.174 13.108) 13.161 7.300 ( 0.000 0.265 11.195) 11.199 7.338 ( 0.000 -0.144 7.665) 7.666 7.482 ( 0.000 -3.170 9.284) 9.810 7.618 ( 0.000 -6.952 7.676) 10.356 8.349 ( 0.000 0.080 3.133) 3.134 8.396 ( 0.000 -1.664 0.947) 1.915 8.607 ( 0.000 -0.280 0.900) 0.942 8.633 ( 0.000 -1.109 2.586) 2.814 8.911 ( 0.000 3.489 1.751) 3.904 8.982 ( 0.000 1.744 1.000) 2.010 9.074 ( 0.000 -1.330 -0.269) 1.357 9.084 ( 0.000 -3.479 0.242) 3.488 9.456 ( 0.000 3.995 0.096) 3.996 9.540 ( 0.000 4.424 -1.258) 4.599 9.756 ( 0.000 -10.032 2.560) 10.354 9.791 ( 0.000 -6.570 1.351) 6.708 10.023 ( 0.000 -1.549 0.940) 1.812 10.044 ( 0.000 -1.527 -3.824) 4.118 10.119 ( 0.000 0.939 3.677) 3.795 10.136 ( 0.000 0.631 0.962) 1.151 10.205 ( 0.000 -0.332 -2.385) 2.408 10.229 ( 0.000 -0.374 -3.714) 3.733 10.350 ( 0.000 2.570 2.263) 3.424 10.407 ( 0.000 -0.344 1.584) 1.620 10.453 ( 0.000 1.750 0.610) 1.853 10.524 ( 0.000 0.842 5.200) 5.268 10.579 ( 0.000 -2.223 1.782) 2.849 10.610 ( 0.000 -0.211 -1.337) 1.354 10.668 ( 0.000 0.957 2.396) 2.580 10.788 ( 0.000 3.351 -1.449) 3.651 10.987 ( 0.000 -8.131 -0.951) 8.187 11.035 ( 0.000 7.452 2.347) 7.813 11.036 ( 0.000 -3.091 0.639) 3.156 11.176 ( 0.000 0.305 0.963) 1.011 11.236 ( 0.000 4.480 2.028) 4.917 11.288 ( 0.000 -2.773 0.511) 2.819 11.458 ( 0.000 6.178 5.142) 8.038 11.482 ( 0.000 2.707 5.904) 6.495 11.600 ( 0.000 -1.181 4.210) 4.373 11.657 ( 0.000 -0.602 -0.038) 0.603 11.766 ( 0.000 0.123 -3.080) 3.082 11.787 ( 0.000 -2.975 2.810) 4.092 11.907 ( 0.000 -2.622 4.550) 5.251 12.009 ( 0.000 -7.152 2.341) 7.525 12.281 ( 0.000 7.983 -1.202) 8.073 12.380 ( 0.000 2.796 1.976) 3.424 12.411 ( 0.000 -1.251 -2.440) 2.742 12.633 ( 0.000 -2.689 3.071) 4.082 12.808 ( 0.000 4.723 -0.355) 4.736 12.808 ( 0.000 3.031 1.796) 3.523 12.897 ( 0.000 3.931 4.841) 6.236 13.119 ( 0.000 4.027 -1.891) 4.449 13.269 ( 0.000 -3.603 4.567) 5.817 13.542 ( 0.000 2.255 -9.942) 10.194 13.554 ( 0.000 -5.127 -6.707) 8.442 13.871 ( 0.000 -15.850 -0.907) 15.876 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.086 21.523 2.822) 23.164 1.299 ( 10.866 16.902 10.745) 22.786 1.594 ( -6.075 11.668 -2.088) 13.319 1.714 ( -8.032 3.910 -3.847) 9.726 2.003 ( 1.400 -3.332 4.774) 5.988 2.110 ( -2.976 -2.177 2.924) 4.706 2.189 ( 5.928 -10.618 -0.447) 12.168 2.273 ( 4.110 12.147 10.437) 16.534 2.514 ( 4.774 15.802 -2.141) 16.646 2.672 ( -8.757 -1.184 -6.448) 10.939 2.796 ( 3.859 3.234 7.927) 9.391 2.832 ( 0.512 5.058 -6.327) 8.116 2.925 ( -2.881 4.719 -10.437) 11.810 3.035 ( -3.023 2.347 -2.257) 4.443 3.192 ( -4.994 -1.263 4.983) 7.167 3.406 ( -13.692 -3.338 2.673) 14.344 3.621 ( 5.140 6.761 -2.143) 8.759 3.651 ( 8.569 2.783 -3.845) 9.796 3.802 ( -0.597 -1.102 -3.555) 3.770 3.842 ( -0.949 5.149 -12.065) 13.153 4.004 ( -0.172 -3.750 -5.445) 6.614 4.021 ( 0.123 0.041 -3.406) 3.408 4.067 ( -0.675 1.344 -4.337) 4.591 4.269 ( -1.655 16.313 -4.754) 17.072 4.383 ( -2.820 -0.495 -1.794) 3.379 4.447 ( -2.443 14.890 -2.457) 15.288 4.672 ( 4.682 8.518 -9.113) 13.323 4.782 ( 3.236 8.546 -10.373) 13.824 4.872 ( -2.785 3.044 -5.887) 7.188 4.894 ( -1.459 9.406 -7.865) 12.347 5.056 ( 3.127 5.155 -9.753) 11.466 5.094 ( 2.745 4.533 -13.500) 14.503 5.161 ( -0.520 3.520 -11.532) 12.068 5.207 ( -0.596 12.820 -5.231) 13.859 5.288 ( -0.382 -5.304 -4.427) 6.919 5.364 ( -2.358 -8.421 -5.559) 10.362 5.413 ( 2.675 -7.153 -4.976) 9.115 5.490 ( 1.602 -6.637 -1.181) 6.930 5.625 ( 1.520 -0.642 -0.084) 1.652 5.702 ( 3.099 -7.980 -0.284) 8.566 5.718 ( -0.364 -4.617 -1.505) 4.870 5.791 ( -2.488 5.944 -3.630) 7.396 6.023 ( -1.908 -4.056 2.515) 5.139 6.050 ( -1.819 -11.378 -0.206) 11.524 6.139 ( 2.008 -3.703 7.804) 8.868 6.239 ( -1.773 -7.677 6.595) 10.275 6.293 ( 1.107 -6.287 13.320) 14.771 6.432 ( -4.748 -11.225 9.613) 15.523 6.873 ( 1.160 -1.734 4.790) 5.225 6.909 ( 1.042 -2.209 13.027) 13.254 6.987 ( -2.085 -2.389 10.348) 10.823 7.001 ( -2.348 -1.329 13.257) 13.529 7.298 ( 0.863 1.876 11.710) 11.891 7.354 ( 0.705 1.413 9.329) 9.462 7.490 ( 1.018 -4.781 8.574) 9.870 7.587 ( -3.002 -6.388 7.981) 10.654 8.387 ( 4.067 0.192 2.570) 4.815 8.441 ( 4.330 -1.901 0.789) 4.795 8.568 ( -3.905 -0.101 1.362) 4.137 8.599 ( -3.475 -1.545 1.704) 4.167 8.934 ( 1.695 3.378 1.417) 4.036 8.971 ( -0.766 2.830 1.301) 3.208 9.099 ( 2.187 -3.213 -0.662) 3.943 9.108 ( 1.898 -2.772 0.184) 3.364 9.465 ( 0.960 3.964 0.089) 4.080 9.524 ( -1.641 4.320 -0.927) 4.713 9.750 ( -0.398 -9.107 2.342) 9.412 9.775 ( -1.519 -7.554 2.600) 8.132 10.031 ( 0.828 -1.021 -0.133) 1.321 10.042 ( -0.077 -1.380 -2.882) 3.196 10.075 ( -2.568 -0.014 -0.205) 2.576 10.106 ( -2.585 -0.636 0.512) 2.711 10.240 ( 2.970 1.805 -0.486) 3.510 10.284 ( 3.320 0.506 -1.212) 3.570 10.341 ( -0.817 1.983 2.366) 3.193 10.382 ( -1.936 0.261 1.276) 2.333 10.482 ( 2.408 0.717 0.792) 2.634 10.530 ( 0.697 -0.302 3.118) 3.209 10.583 ( -0.102 -2.115 2.594) 3.348 10.615 ( 0.061 -2.523 -0.703) 2.620 10.676 ( 1.652 3.921 1.571) 4.535 10.773 ( -1.777 3.904 -1.153) 4.442 10.996 ( 0.976 -8.249 -1.555) 8.451 11.031 ( -0.496 -3.402 0.244) 3.447 11.048 ( 1.343 6.834 2.555) 7.419 11.137 ( -3.073 2.723 1.207) 4.280 11.264 ( 1.880 1.302 2.159) 3.145 11.294 ( 0.364 -2.809 1.015) 3.009 11.461 ( 0.433 6.449 5.481) 8.474 11.481 ( -0.180 4.003 5.850) 7.091 11.608 ( 1.307 -0.592 3.036) 3.358 11.668 ( -0.165 -2.180 0.729) 2.305 11.782 ( 3.024 0.918 -0.438) 3.190 11.816 ( 2.184 -2.295 0.549) 3.216 11.901 ( -0.521 -2.272 3.803) 4.461 11.979 ( -3.329 -4.660 2.054) 6.084 12.326 ( 5.007 5.858 -1.115) 7.786 12.415 ( 4.293 3.074 0.663) 5.322 12.473 ( 4.750 -0.416 -1.520) 5.005 12.601 ( -5.103 1.131 0.691) 5.273 12.708 ( -5.463 2.149 2.381) 6.336 12.808 ( -6.680 3.290 4.735) 8.824 12.856 ( 2.270 -0.365 1.037) 2.523 13.128 ( -3.774 -7.602 2.275) 8.787 13.235 ( 0.698 8.320 -0.105) 8.350 13.408 ( -6.406 6.076 -3.942) 9.669 13.719 ( 8.697 -10.145 -8.846) 16.025 13.873 ( -0.384 -15.364 -2.438) 15.561 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -9.103 15.732 1.268) 18.220 1.405 ( 9.103 15.732 1.268) 18.220 1.536 ( -9.566 12.596 3.322) 16.161 1.536 ( 9.566 12.596 3.322) 16.161 2.044 ( -3.376 -6.401 1.573) 7.406 2.044 ( 3.376 -6.401 1.573) 7.406 2.308 ( -4.497 -5.808 3.849) 8.293 2.308 ( 4.497 -5.808 3.849) 8.293 2.564 ( -1.877 13.193 -3.030) 13.666 2.564 ( 1.877 13.193 -3.030) 13.666 2.853 ( -2.204 6.506 -5.927) 9.073 2.853 ( 2.204 6.506 -5.927) 9.073 2.921 ( -7.157 5.138 2.784) 9.239 2.921 ( 7.157 5.138 2.784) 9.239 3.207 ( -6.644 -4.598 3.449) 8.786 3.207 ( 6.644 -4.598 3.449) 8.786 3.722 ( -4.896 3.568 -3.110) 6.810 3.722 ( 4.896 3.568 -3.110) 6.810 3.800 ( -4.479 2.332 -8.145) 9.584 3.800 ( 4.479 2.332 -8.145) 9.584 3.985 ( -0.669 0.196 -6.399) 6.437 3.985 ( 0.669 0.196 -6.399) 6.437 4.169 ( -7.479 1.351 -5.600) 9.441 4.169 ( 7.479 1.351 -5.600) 9.441 4.398 ( -2.801 14.617 -0.759) 14.902 4.398 ( 2.801 14.617 -0.759) 14.902 4.763 ( -4.881 10.763 -4.013) 12.480 4.763 ( 4.881 10.763 -4.013) 12.480 4.864 ( -1.732 3.434 -12.158) 12.752 4.864 ( 1.732 3.434 -12.158) 12.752 5.111 ( -1.369 3.506 -14.761) 15.233 5.111 ( 1.369 3.506 -14.761) 15.233 5.175 ( -2.355 11.188 -6.475) 13.139 5.175 ( 2.355 11.188 -6.475) 13.139 5.308 ( -3.162 -6.814 -3.142) 8.142 5.308 ( 3.162 -6.814 -3.142) 8.142 5.475 ( -3.032 -7.486 -2.556) 8.471 5.475 ( 3.032 -7.486 -2.556) 8.471 5.678 ( -3.519 -1.137 -2.125) 4.266 5.678 ( 3.519 -1.137 -2.125) 4.266 5.755 ( -1.758 -3.818 -1.035) 4.329 5.755 ( 1.758 -3.818 -1.035) 4.329 6.013 ( -1.209 -7.353 0.700) 7.485 6.013 ( 1.209 -7.353 0.700) 7.485 6.191 ( -3.362 -6.441 8.917) 11.502 6.191 ( 3.362 -6.441 8.917) 11.502 6.341 ( -4.461 -8.784 9.023) 13.359 6.341 ( 4.461 -8.784 9.023) 13.359 6.912 ( -2.559 -1.273 8.315) 8.793 6.912 ( 2.559 -1.273 8.315) 8.793 6.959 ( -1.671 -2.554 12.682) 13.045 6.959 ( 1.671 -2.554 12.682) 13.045 7.336 ( -2.447 2.726 11.193) 11.777 7.336 ( 2.447 2.726 11.193) 11.777 7.528 ( -3.141 -6.017 8.181) 10.630 7.528 ( 3.141 -6.017 8.181) 10.630 8.480 ( -5.658 -0.134 1.787) 5.935 8.480 ( 5.658 -0.134 1.787) 5.935 8.525 ( -4.597 -1.815 0.883) 5.020 8.525 ( 4.597 -1.815 0.883) 5.020 8.957 ( -0.953 3.590 1.335) 3.947 8.957 ( 0.953 3.590 1.335) 3.947 9.126 ( -0.276 -3.355 -0.428) 3.393 9.126 ( 0.276 -3.355 -0.428) 3.393 9.490 ( -1.822 4.082 -0.212) 4.475 9.490 ( 1.822 4.082 -0.212) 4.475 9.752 ( -0.767 -8.410 2.808) 8.899 9.752 ( 0.767 -8.410 2.808) 8.899 10.042 ( -0.641 -0.475 -2.555) 2.677 10.042 ( 0.641 -0.475 -2.555) 2.677 10.064 ( -1.793 -1.359 0.412) 2.287 10.064 ( 1.793 -1.359 0.412) 2.287 10.290 ( -2.267 3.007 0.317) 3.779 10.290 ( 2.267 3.007 0.317) 3.779 10.349 ( -1.653 0.220 1.529) 2.262 10.349 ( 1.653 0.220 1.529) 2.262 10.524 ( -1.807 -0.649 0.907) 2.123 10.524 ( 1.807 -0.649 0.907) 2.123 10.595 ( -1.636 -2.510 2.000) 3.602 10.595 ( 1.636 -2.510 2.000) 3.602 10.726 ( -3.197 4.579 -0.380) 5.598 10.726 ( 3.197 4.579 -0.380) 5.598 11.016 ( -1.147 -6.456 -1.166) 6.660 11.016 ( 1.147 -6.456 -1.166) 6.660 11.084 ( -2.617 5.511 2.145) 6.467 11.084 ( 2.617 5.511 2.145) 6.467 11.290 ( -0.951 -1.662 1.906) 2.702 11.290 ( 0.951 -1.662 1.906) 2.702 11.473 ( -0.706 5.898 5.758) 8.273 11.473 ( 0.706 5.898 5.758) 8.273 11.643 ( -2.155 -1.290 1.884) 3.140 11.643 ( 2.155 -1.290 1.884) 3.140 11.839 ( -0.956 -0.410 -0.012) 1.040 11.839 ( 0.956 -0.410 -0.012) 1.040 11.909 ( -2.946 -2.359 2.568) 4.564 11.909 ( 2.946 -2.359 2.568) 4.564 12.452 ( -8.323 3.590 -0.939) 9.112 12.452 ( 8.323 3.590 -0.939) 9.112 12.504 ( -3.871 3.088 -0.849) 5.024 12.504 ( 3.871 3.088 -0.849) 5.024 12.685 ( -4.489 2.024 3.458) 6.017 12.685 ( 4.489 2.024 3.458) 6.017 12.979 ( -9.806 -7.955 3.693) 13.156 12.979 ( 9.806 -7.955 3.693) 13.156 13.307 ( -5.199 9.525 -2.193) 11.071 13.307 ( 5.199 9.525 -2.193) 11.071 13.835 ( -4.204 -14.098 -5.815) 15.819 13.835 ( 4.204 -14.098 -5.815) 15.819 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 -1.306 -0.640) 1.454 1.601 ( 0.000 1.306 -0.640) 1.454 1.680 ( 0.000 -7.059 -0.770) 7.100 1.680 ( 0.000 7.059 -0.770) 7.100 1.829 ( 0.000 -10.184 0.527) 10.198 1.829 ( 0.000 10.184 0.527) 10.198 2.309 ( 0.000 -10.872 10.056) 14.810 2.309 ( 0.000 10.872 10.056) 14.810 2.744 ( 0.000 -1.302 -7.349) 7.464 2.744 ( 0.000 1.302 -7.349) 7.464 2.882 ( 0.000 -1.508 1.485) 2.116 2.882 ( 0.000 1.508 1.485) 2.116 2.932 ( 0.000 -1.439 -2.980) 3.309 2.932 ( 0.000 1.439 -2.980) 3.309 3.456 ( 0.000 -9.175 -3.433) 9.796 3.456 ( 0.000 9.175 -3.433) 9.796 3.619 ( 0.000 -4.560 -0.623) 4.603 3.619 ( 0.000 4.560 -0.623) 4.603 3.795 ( 0.000 -10.815 -4.528) 11.725 3.795 ( 0.000 10.815 -4.528) 11.725 3.975 ( 0.000 -3.749 -5.580) 6.722 3.975 ( 0.000 3.749 -5.580) 6.722 4.269 ( 0.000 -8.945 0.830) 8.984 4.269 ( 0.000 8.945 0.830) 8.984 4.593 ( 0.000 -5.759 -13.415) 14.599 4.593 ( 0.000 5.759 -13.415) 14.599 4.812 ( 0.000 -1.806 -12.970) 13.095 4.812 ( 0.000 1.806 -12.970) 13.095 5.032 ( 0.000 -5.580 2.403) 6.076 5.032 ( 0.000 5.580 2.403) 6.076 5.065 ( 0.000 -5.114 -2.918) 5.888 5.065 ( 0.000 5.114 -2.918) 5.888 5.201 ( 0.000 -4.294 -10.406) 11.257 5.201 ( 0.000 4.294 -10.406) 11.257 5.221 ( 0.000 -6.543 -5.416) 8.494 5.221 ( 0.000 6.543 -5.416) 8.494 5.411 ( 0.000 -12.124 -3.944) 12.749 5.411 ( 0.000 12.124 -3.944) 12.749 5.606 ( 0.000 -9.952 -2.743) 10.323 5.606 ( 0.000 9.952 -2.743) 10.323 5.772 ( 0.000 -11.127 -1.569) 11.237 5.772 ( 0.000 11.127 -1.569) 11.237 6.025 ( 0.000 -8.236 -3.225) 8.845 6.025 ( 0.000 8.236 -3.225) 8.845 6.092 ( 0.000 -1.132 5.315) 5.434 6.092 ( 0.000 1.132 5.315) 5.434 6.249 ( 0.000 -5.192 10.050) 11.312 6.249 ( 0.000 5.192 10.050) 11.312 6.853 ( 0.000 -0.909 7.549) 7.604 6.853 ( 0.000 0.909 7.549) 7.604 7.002 ( 0.000 -1.038 14.315) 14.353 7.002 ( 0.000 1.038 14.315) 14.353 7.315 ( 0.000 -1.322 8.863) 8.961 7.315 ( 0.000 1.322 8.863) 8.961 7.493 ( 0.000 -3.877 11.378) 12.021 7.493 ( 0.000 3.877 11.378) 12.021 8.363 ( 0.000 -1.175 2.101) 2.407 8.363 ( 0.000 1.175 2.101) 2.407 8.612 ( 0.000 -0.694 1.831) 1.958 8.612 ( 0.000 0.694 1.831) 1.958 8.987 ( 0.000 -3.025 0.060) 3.026 8.987 ( 0.000 3.025 0.060) 3.026 9.042 ( 0.000 -1.207 0.902) 1.507 9.042 ( 0.000 1.207 0.902) 1.507 9.567 ( 0.000 -6.115 0.286) 6.121 9.567 ( 0.000 6.115 0.286) 6.121 9.657 ( 0.000 -5.222 0.212) 5.227 9.657 ( 0.000 5.222 0.212) 5.227 10.017 ( 0.000 -0.738 -2.081) 2.208 10.017 ( 0.000 0.738 -2.081) 2.208 10.137 ( 0.000 -0.510 3.151) 3.192 10.137 ( 0.000 0.510 3.151) 3.192 10.214 ( 0.000 -0.870 -3.458) 3.566 10.214 ( 0.000 0.870 -3.458) 3.566 10.389 ( 0.000 -1.116 2.491) 2.730 10.389 ( 0.000 1.116 2.491) 2.730 10.531 ( 0.000 -4.812 -0.880) 4.892 10.531 ( 0.000 4.812 -0.880) 4.892 10.551 ( 0.000 -1.111 2.922) 3.126 10.551 ( 0.000 1.111 2.922) 3.126 10.773 ( 0.000 -6.474 -0.017) 6.474 10.773 ( 0.000 6.474 -0.017) 6.474 10.916 ( 0.000 -4.687 0.171) 4.690 10.916 ( 0.000 4.687 0.171) 4.690 11.185 ( 0.000 -5.640 2.104) 6.020 11.185 ( 0.000 5.640 2.104) 6.020 11.240 ( 0.000 -2.237 2.341) 3.238 11.240 ( 0.000 2.237 2.341) 3.238 11.558 ( 0.000 -1.940 4.430) 4.837 11.558 ( 0.000 1.940 4.430) 4.837 11.590 ( 0.000 -4.471 4.420) 6.287 11.590 ( 0.000 4.471 4.420) 6.287 11.767 ( 0.000 -0.206 -0.217) 0.299 11.767 ( 0.000 0.206 -0.217) 0.299 11.899 ( 0.000 -2.566 2.448) 3.547 11.899 ( 0.000 2.566 2.448) 3.547 12.372 ( 0.000 -2.197 -1.032) 2.428 12.372 ( 0.000 2.197 -1.032) 2.428 12.521 ( 0.000 -7.371 1.712) 7.567 12.521 ( 0.000 7.371 1.712) 7.567 12.860 ( 0.000 -0.666 0.228) 0.704 12.860 ( 0.000 0.666 0.228) 0.704 12.999 ( 0.000 -6.827 4.552) 8.206 12.999 ( 0.000 6.827 4.552) 8.206 13.437 ( 0.000 -9.059 -6.712) 11.274 13.437 ( 0.000 9.059 -6.712) 11.274 13.591 ( 0.000 -6.161 -1.515) 6.345 13.591 ( 0.000 6.161 -1.515) 6.345 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 2.717 -4.867 -0.190) 5.577 1.628 ( 2.717 4.867 -0.190) 5.577 1.709 ( 1.416 -12.149 -2.247) 12.436 1.709 ( 1.416 12.149 -2.247) 12.436 1.858 ( 4.539 -11.231 2.038) 12.284 1.858 ( 4.539 11.231 2.038) 12.284 2.216 ( -9.519 -11.314 6.647) 16.211 2.216 ( -9.519 11.314 6.647) 16.211 2.784 ( 3.820 -4.302 -6.830) 8.930 2.784 ( 3.820 4.302 -6.830) 8.930 2.864 ( -0.628 -5.526 -3.724) 6.694 2.864 ( -0.628 5.526 -3.724) 6.694 2.974 ( 3.733 -7.881 3.733) 9.486 2.974 ( 3.733 7.881 3.733) 9.486 3.295 ( -12.627 -7.127 1.321) 14.559 3.295 ( -12.627 7.127 1.321) 14.559 3.726 ( 5.973 -4.328 -3.739) 8.269 3.726 ( 5.973 4.328 -3.739) 8.269 3.810 ( 1.057 -9.087 -2.993) 9.625 3.810 ( 1.057 9.087 -2.993) 9.625 3.969 ( 0.958 -4.637 -7.336) 8.732 3.969 ( 0.958 4.637 -7.336) 8.732 4.195 ( -6.866 -8.339 -4.180) 11.583 4.195 ( -6.866 8.339 -4.180) 11.583 4.658 ( 5.645 -5.904 -9.260) 12.348 4.658 ( 5.645 5.904 -9.260) 12.348 4.805 ( -1.297 -5.449 -9.751) 11.245 4.805 ( -1.297 5.449 -9.751) 11.245 5.042 ( 2.116 -6.206 -3.052) 7.232 5.042 ( 2.116 6.206 -3.052) 7.232 5.105 ( 3.435 -8.558 -1.062) 9.283 5.105 ( 3.435 8.558 -1.062) 9.283 5.183 ( -2.224 -6.715 -9.524) 11.863 5.183 ( -2.224 6.715 -9.524) 11.863 5.226 ( 0.151 -3.669 -3.493) 5.068 5.226 ( 0.151 3.669 -3.493) 5.068 5.431 ( 2.380 -12.811 -4.351) 13.738 5.431 ( 2.380 12.811 -4.351) 13.738 5.572 ( -3.600 -10.384 -3.619) 11.571 5.572 ( -3.600 10.384 -3.619) 11.571 5.793 ( 2.548 -10.222 -1.650) 10.663 5.793 ( 2.548 10.222 -1.650) 10.663 5.974 ( -5.376 -7.165 -3.432) 9.592 5.974 ( -5.376 7.165 -3.432) 9.592 6.104 ( 1.847 -2.960 5.353) 6.389 6.104 ( 1.847 2.960 5.353) 6.389 6.226 ( -2.693 -4.656 8.700) 10.228 6.226 ( -2.693 4.656 8.700) 10.228 6.867 ( 1.668 -1.167 9.051) 9.277 6.867 ( 1.668 1.167 9.051) 9.277 6.974 ( -2.899 -0.798 13.182) 13.520 6.974 ( -2.899 0.798 13.182) 13.520 7.345 ( 3.101 -2.346 9.741) 10.489 7.345 ( 3.101 2.346 9.741) 10.489 7.471 ( -2.425 -3.526 11.100) 11.896 7.471 ( -2.425 3.526 11.100) 11.896 8.404 ( 4.131 -1.338 1.951) 4.761 8.404 ( 4.131 1.338 1.951) 4.761 8.575 ( -3.822 -0.701 1.760) 4.266 8.575 ( -3.822 0.701 1.760) 4.266 9.011 ( 2.164 -3.125 0.037) 3.801 9.011 ( 2.164 3.125 0.037) 3.801 9.047 ( 0.333 -2.472 0.723) 2.597 9.047 ( 0.333 2.472 0.723) 2.597 9.573 ( 0.742 -5.800 0.442) 5.864 9.573 ( 0.742 5.800 0.442) 5.864 9.636 ( -2.118 -5.042 0.456) 5.488 9.636 ( -2.118 5.042 0.456) 5.488 10.022 ( 0.634 -0.323 -1.865) 1.996 10.022 ( 0.634 0.323 -1.865) 1.996 10.086 ( -3.281 -0.912 0.213) 3.412 10.086 ( -3.281 0.912 0.213) 3.412 10.275 ( 4.405 -1.213 -0.564) 4.604 10.275 ( 4.405 1.213 -0.564) 4.604 10.378 ( -1.239 -0.987 2.023) 2.569 10.378 ( -1.239 0.987 2.023) 2.569 10.533 ( 0.232 -3.762 -0.145) 3.772 10.533 ( 0.232 3.762 -0.145) 3.772 10.549 ( -0.314 -1.300 2.312) 2.671 10.549 ( -0.314 1.300 2.312) 2.671 10.799 ( 2.650 -6.225 -0.392) 6.777 10.799 ( 2.650 6.225 -0.392) 6.777 10.898 ( -1.902 -4.972 -0.206) 5.327 10.898 ( -1.902 4.972 -0.206) 5.327 11.191 ( 0.739 -5.149 2.415) 5.735 11.191 ( 0.739 5.149 2.415) 5.735 11.230 ( -0.969 -3.012 2.559) 4.069 11.230 ( -0.969 3.012 2.559) 4.069 11.570 ( 1.104 -2.111 4.330) 4.942 11.570 ( 1.104 2.111 4.330) 4.942 11.594 ( 0.157 -4.132 4.447) 6.072 11.594 ( 0.157 4.132 4.447) 6.072 11.796 ( 3.021 -0.324 0.159) 3.042 11.796 ( 3.021 0.324 0.159) 3.042 11.894 ( -0.886 -2.255 1.959) 3.116 11.894 ( -0.886 2.255 1.959) 3.116 12.417 ( 4.621 -2.719 -1.738) 5.636 12.417 ( 4.621 2.719 -1.738) 5.636 12.546 ( 2.177 -5.416 2.199) 6.237 12.546 ( 2.177 5.416 2.199) 6.237 12.786 ( -5.517 -4.420 -0.139) 7.071 12.786 ( -5.517 4.420 -0.139) 7.071 12.938 ( -6.759 -7.523 5.170) 11.358 12.938 ( -6.759 7.523 5.170) 11.358 13.476 ( 3.825 -10.605 -5.797) 12.677 13.476 ( 3.825 10.605 -5.797) 12.677 13.585 ( -1.036 -8.922 -2.124) 9.229 13.585 ( -1.036 8.922 -2.124) 9.229 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.801 -6.728 -1.029) 7.360 1.686 ( 2.253 -6.676 -1.029) 7.121 1.686 ( -2.253 6.676 -1.029) 7.121 1.686 ( 2.801 6.728 -1.029) 7.360 2.015 ( -10.731 -12.256 3.038) 16.571 2.015 ( 6.381 -11.472 3.038) 13.474 2.015 ( -6.381 11.472 3.038) 13.474 2.015 ( 10.731 12.256 3.038) 16.571 2.847 ( -2.030 -8.081 -6.411) 10.513 2.847 ( 1.880 -8.072 -6.411) 10.478 2.847 ( -1.880 8.072 -6.411) 10.478 2.847 ( 2.030 8.081 -6.411) 10.513 3.085 ( -9.179 -7.843 5.397) 13.225 3.085 ( 5.692 -6.968 5.397) 10.492 3.085 ( -5.692 6.968 5.397) 10.492 3.085 ( 9.179 7.843 5.397) 13.225 3.793 ( -2.353 -2.640 -2.699) 4.448 3.793 ( 1.384 -2.462 -2.699) 3.907 3.793 ( -1.384 2.462 -2.699) 3.907 3.793 ( 2.353 2.640 -2.699) 4.448 4.059 ( -7.726 -6.728 -8.422) 13.262 4.059 ( 7.429 -6.644 -8.422) 13.049 4.059 ( -7.429 6.644 -8.422) 13.049 4.059 ( 7.726 6.728 -8.422) 13.262 4.753 ( -3.331 -10.626 -6.872) 13.086 4.753 ( 2.221 -10.553 -6.872) 12.788 4.753 ( -2.221 10.553 -6.872) 12.788 4.753 ( 3.331 10.626 -6.872) 13.086 5.103 ( -3.519 -11.834 -6.656) 14.027 5.103 ( 3.292 -11.818 -6.656) 13.957 5.103 ( -3.292 11.818 -6.656) 13.957 5.103 ( 3.519 11.834 -6.656) 14.027 5.196 ( -2.377 -5.337 -2.136) 6.221 5.196 ( 0.864 -5.221 -2.136) 5.707 5.196 ( -0.864 5.221 -2.136) 5.707 5.196 ( 2.377 5.337 -2.136) 6.221 5.495 ( -4.405 -12.111 -4.423) 13.625 5.495 ( 4.347 -12.106 -4.423) 13.602 5.495 ( -4.347 12.106 -4.423) 13.602 5.495 ( 4.405 12.111 -4.423) 13.625 5.867 ( -5.617 -8.171 -2.824) 10.310 5.867 ( 5.516 -8.154 -2.824) 10.242 5.867 ( -5.516 8.154 -2.824) 10.242 5.867 ( 5.617 8.171 -2.824) 10.310 6.160 ( -3.319 -5.639 6.342) 9.112 6.160 ( 1.655 -5.452 6.342) 8.525 6.160 ( -1.655 5.452 6.342) 8.525 6.160 ( 3.319 5.639 6.342) 9.112 6.914 ( -3.288 -1.297 11.348) 11.886 6.914 ( -2.042 0.150 11.348) 11.531 6.914 ( 2.042 -0.150 11.348) 11.531 6.914 ( 3.288 1.297 11.348) 11.886 7.412 ( -3.350 -4.349 10.647) 11.979 7.412 ( 1.336 -4.069 10.647) 11.476 7.412 ( -1.336 4.069 10.647) 11.476 7.412 ( 3.350 4.349 10.647) 11.979 8.491 ( -5.172 -1.127 1.742) 5.573 8.491 ( -5.152 1.104 1.742) 5.550 8.491 ( 5.152 -1.104 1.742) 5.550 8.491 ( 5.172 1.127 1.742) 5.573 9.043 ( -0.860 -4.121 0.274) 4.219 9.043 ( 0.773 -4.117 0.274) 4.198 9.043 ( -0.773 4.117 0.274) 4.198 9.043 ( 0.860 4.121 0.274) 4.219 9.596 ( -1.756 -5.911 0.648) 6.200 9.596 ( 1.601 -5.900 0.648) 6.148 9.596 ( -1.601 5.900 0.648) 6.148 9.596 ( 1.756 5.911 0.648) 6.200 10.042 ( -1.685 -0.538 -1.178) 2.126 10.042 ( -1.383 0.240 -1.178) 1.833 10.042 ( 1.383 -0.240 -1.178) 1.833 10.042 ( 1.685 0.538 -1.178) 2.126 10.342 ( -2.756 -1.282 0.902) 3.171 10.342 ( -1.200 -0.321 0.902) 1.535 10.342 ( 1.200 0.321 0.902) 1.535 10.342 ( 2.756 1.282 0.902) 3.171 10.540 ( -0.460 -2.100 1.172) 2.448 10.540 ( 0.393 -2.096 1.172) 2.434 10.540 ( -0.393 2.096 1.172) 2.434 10.540 ( 0.460 2.100 1.172) 2.448 10.853 ( -2.581 -6.993 -0.648) 7.482 10.853 ( 2.084 -6.952 -0.648) 7.286 10.853 ( -2.084 6.952 -0.648) 7.286 10.853 ( 2.581 6.993 -0.648) 7.482 11.210 ( -1.030 -5.079 2.729) 5.857 11.210 ( 0.929 -5.074 2.729) 5.836 11.210 ( -0.929 5.074 2.729) 5.836 11.210 ( 1.030 5.079 2.729) 5.857 11.589 ( -0.614 -3.906 4.350) 5.878 11.589 ( 0.552 -3.903 4.350) 5.870 11.589 ( -0.552 3.903 4.350) 5.870 11.589 ( 0.614 3.906 4.350) 5.878 11.857 ( -2.603 -1.807 1.005) 3.324 11.857 ( -1.073 -1.363 1.005) 2.005 11.857 ( 1.073 1.363 1.005) 2.005 11.857 ( 2.603 1.807 1.005) 3.324 12.517 ( -5.665 -1.930 -1.257) 6.116 12.517 ( -5.665 1.930 -1.257) 6.115 12.517 ( 5.665 -1.930 -1.257) 6.115 12.517 ( 5.665 1.930 -1.257) 6.116 12.796 ( -7.012 -7.835 3.986) 11.245 12.796 ( 6.714 -7.770 3.986) 11.015 12.796 ( -6.714 7.770 3.986) 11.015 12.796 ( 7.012 7.835 3.986) 11.245 13.546 ( -3.092 -12.350 -3.770) 13.278 13.546 ( 2.903 -12.339 -3.770) 13.224 13.546 ( -2.903 12.339 -3.770) 13.224 13.546 ( 3.092 12.350 -3.770) 13.278 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 0.000 18.394) 18.394 1.070 ( 0.000 0.000 24.379) 24.379 1.315 ( 0.000 0.000 3.662) 3.662 1.833 ( 0.000 0.000 35.754) 35.754 1.956 ( 0.000 0.000 18.786) 18.786 1.959 ( 0.000 0.000 2.207) 2.207 1.999 ( 0.000 0.000 -4.653) 4.653 2.086 ( 0.000 0.000 -1.992) 1.992 2.363 ( 0.000 0.000 4.452) 4.452 2.466 ( 0.000 0.000 -2.161) 2.161 2.614 ( 0.000 0.000 -0.122) 0.122 2.924 ( 0.000 0.000 -2.752) 2.752 3.065 ( 0.000 0.000 -10.997) 10.997 3.071 ( 0.000 0.000 -3.466) 3.466 3.189 ( 0.000 0.000 7.418) 7.418 3.244 ( 0.000 0.000 -13.554) 13.554 3.331 ( 0.000 0.000 -3.311) 3.311 3.359 ( 0.000 0.000 -11.380) 11.380 3.501 ( 0.000 0.000 -4.849) 4.849 3.515 ( 0.000 0.000 -10.738) 10.738 3.756 ( 0.000 0.000 -10.942) 10.942 3.851 ( 0.000 0.000 -6.577) 6.577 3.857 ( 0.000 0.000 0.387) 0.387 3.862 ( 0.000 0.000 -8.489) 8.489 4.144 ( 0.000 0.000 -22.377) 22.377 4.372 ( 0.000 0.000 -8.886) 8.886 4.411 ( 0.000 0.000 -16.115) 16.115 4.430 ( 0.000 0.000 -5.785) 5.785 4.445 ( 0.000 0.000 0.777) 0.777 4.520 ( 0.000 0.000 -2.772) 2.772 4.571 ( 0.000 0.000 -6.998) 6.998 4.767 ( 0.000 0.000 -1.680) 1.680 4.936 ( 0.000 0.000 -2.601) 2.601 4.939 ( 0.000 0.000 -7.610) 7.610 5.045 ( 0.000 0.000 -10.600) 10.600 5.306 ( 0.000 0.000 -4.691) 4.691 5.308 ( 0.000 0.000 -6.994) 6.994 5.441 ( 0.000 0.000 -12.982) 12.982 5.513 ( 0.000 0.000 -14.573) 14.573 5.623 ( 0.000 0.000 -3.418) 3.418 6.150 ( 0.000 0.000 4.194) 4.194 6.153 ( 0.000 0.000 5.512) 5.512 6.311 ( 0.000 0.000 -6.736) 6.736 6.329 ( 0.000 0.000 -3.238) 3.238 6.481 ( 0.000 0.000 16.392) 16.392 6.570 ( 0.000 0.000 8.463) 8.463 6.876 ( 0.000 0.000 18.969) 18.969 7.013 ( 0.000 0.000 8.011) 8.011 7.102 ( 0.000 0.000 6.458) 6.458 7.263 ( 0.000 0.000 12.610) 12.610 7.266 ( 0.000 0.000 12.191) 12.191 7.376 ( 0.000 0.000 10.789) 10.789 7.521 ( 0.000 0.000 9.717) 9.717 7.565 ( 0.000 0.000 10.801) 10.801 7.719 ( 0.000 0.000 6.202) 6.202 7.873 ( 0.000 0.000 3.442) 3.442 8.453 ( 0.000 0.000 1.661) 1.661 8.503 ( 0.000 0.000 6.038) 6.038 8.625 ( 0.000 0.000 1.333) 1.333 8.742 ( 0.000 0.000 3.881) 3.881 8.880 ( 0.000 0.000 1.914) 1.914 8.988 ( 0.000 0.000 0.007) 0.007 9.118 ( 0.000 0.000 0.805) 0.805 9.158 ( 0.000 0.000 -0.924) 0.924 9.380 ( 0.000 0.000 1.379) 1.379 9.401 ( 0.000 0.000 1.017) 1.017 9.945 ( 0.000 0.000 -2.108) 2.108 10.016 ( 0.000 0.000 -0.951) 0.951 10.092 ( 0.000 0.000 -0.776) 0.776 10.092 ( 0.000 0.000 -0.720) 0.720 10.111 ( 0.000 0.000 4.106) 4.106 10.177 ( 0.000 0.000 -0.550) 0.550 10.207 ( 0.000 0.000 -2.507) 2.507 10.400 ( 0.000 0.000 -2.091) 2.091 10.422 ( 0.000 0.000 9.410) 9.410 10.494 ( 0.000 0.000 -1.031) 1.031 10.505 ( 0.000 0.000 -2.483) 2.483 10.639 ( 0.000 0.000 6.701) 6.701 10.705 ( 0.000 0.000 -0.826) 0.826 10.709 ( 0.000 0.000 -0.888) 0.888 10.787 ( 0.000 0.000 0.463) 0.463 10.804 ( 0.000 0.000 4.234) 4.234 10.813 ( 0.000 0.000 0.120) 0.120 10.880 ( 0.000 0.000 5.762) 5.762 10.954 ( 0.000 0.000 -1.535) 1.535 11.016 ( 0.000 0.000 3.321) 3.321 11.128 ( 0.000 0.000 -5.150) 5.150 11.337 ( 0.000 0.000 -6.265) 6.265 11.361 ( 0.000 0.000 3.032) 3.032 11.599 ( 0.000 0.000 -1.862) 1.862 11.618 ( 0.000 0.000 4.784) 4.784 11.679 ( 0.000 0.000 0.019) 0.019 11.695 ( 0.000 0.000 5.689) 5.689 11.962 ( 0.000 0.000 -2.624) 2.624 12.026 ( 0.000 0.000 7.915) 7.915 12.171 ( 0.000 0.000 7.956) 7.956 12.338 ( 0.000 0.000 0.055) 0.055 12.404 ( 0.000 0.000 -0.783) 0.783 12.502 ( 0.000 0.000 1.476) 1.476 12.502 ( 0.000 0.000 2.018) 2.018 12.540 ( 0.000 0.000 1.819) 1.819 12.757 ( 0.000 0.000 -4.099) 4.099 12.936 ( 0.000 0.000 7.045) 7.045 13.041 ( 0.000 0.000 3.484) 3.484 13.047 ( 0.000 0.000 4.611) 4.611 13.556 ( 0.000 0.000 -10.037) 10.037 13.702 ( 0.000 0.000 9.197) 9.197 14.244 ( 0.000 0.000 -3.891) 3.891 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 4.685 0.000 16.470) 17.123 1.179 ( 10.970 0.000 23.567) 25.995 1.290 ( -2.924 0.000 6.345) 6.987 1.736 ( -16.349 0.000 13.108) 20.955 1.930 ( 8.112 0.000 28.066) 29.215 1.971 ( 1.472 0.000 1.027) 1.795 2.063 ( -2.417 0.000 -1.672) 2.939 2.078 ( 2.306 0.000 4.596) 5.142 2.437 ( 8.833 0.000 6.182) 10.782 2.484 ( 1.927 0.000 -2.105) 2.853 2.586 ( -2.756 0.000 -0.822) 2.875 2.858 ( -7.520 0.000 1.055) 7.594 3.089 ( 1.246 0.000 -3.722) 3.925 3.121 ( 5.616 0.000 -10.996) 12.347 3.147 ( -4.042 0.000 -1.235) 4.227 3.211 ( 1.446 0.000 -3.628) 3.906 3.325 ( -3.712 0.000 -11.405) 11.994 3.391 ( 1.343 0.000 -2.606) 2.931 3.489 ( -0.427 0.000 -7.482) 7.494 3.519 ( -0.212 0.000 -9.825) 9.827 3.747 ( -5.831 0.000 -9.535) 11.177 3.772 ( 1.544 0.000 -6.411) 6.595 3.854 ( -1.020 0.000 0.938) 1.386 3.878 ( -3.206 0.000 -2.379) 3.992 4.134 ( 0.948 0.000 -22.780) 22.800 4.286 ( -3.918 0.000 -7.281) 8.268 4.317 ( -5.758 0.000 -17.967) 18.867 4.411 ( -1.873 0.000 -3.156) 3.670 4.562 ( 1.197 0.000 -5.680) 5.805 4.573 ( 9.706 0.000 -6.558) 11.714 4.597 ( 1.115 0.000 -5.725) 5.832 4.782 ( 1.688 0.000 -1.927) 2.562 4.883 ( -5.439 0.000 -6.696) 8.627 4.907 ( -3.392 0.000 -3.440) 4.831 5.060 ( 2.471 0.000 -12.326) 12.571 5.249 ( -4.892 0.000 -8.426) 9.743 5.321 ( -0.455 0.000 -5.684) 5.702 5.347 ( -4.400 0.000 -10.692) 11.562 5.620 ( 6.063 0.000 -12.720) 14.092 5.667 ( 3.904 0.000 -4.780) 6.172 6.112 ( -1.138 0.000 7.916) 7.998 6.165 ( -1.170 0.000 2.276) 2.560 6.316 ( 1.357 0.000 -3.575) 3.824 6.348 ( 0.784 0.000 -3.718) 3.800 6.540 ( 6.001 0.000 16.016) 17.103 6.606 ( 3.385 0.000 9.487) 10.073 6.865 ( -1.245 0.000 15.939) 15.988 6.960 ( -5.675 0.000 11.241) 12.592 7.099 ( 0.446 0.000 6.195) 6.211 7.216 ( -4.586 0.000 11.148) 12.055 7.270 ( 1.327 0.000 13.385) 13.451 7.381 ( -0.965 0.000 10.574) 10.618 7.510 ( -3.094 0.000 12.371) 12.752 7.517 ( -1.006 0.000 10.739) 10.786 7.757 ( 3.513 0.000 7.064) 7.890 7.863 ( -1.379 0.000 5.127) 5.309 8.480 ( 3.145 0.000 0.331) 3.162 8.490 ( 0.587 0.000 5.529) 5.560 8.610 ( -1.890 0.000 0.489) 1.953 8.678 ( -6.300 0.000 1.799) 6.551 8.905 ( 1.622 0.000 2.553) 3.025 8.964 ( -2.024 0.000 0.828) 2.187 9.156 ( 2.754 0.000 -0.641) 2.827 9.175 ( 1.527 0.000 -0.511) 1.610 9.384 ( 0.439 0.000 1.256) 1.331 9.399 ( -0.208 0.000 0.994) 1.016 9.962 ( 1.805 0.000 -1.640) 2.439 10.049 ( 1.639 0.000 -0.088) 1.641 10.085 ( -0.149 0.000 -0.534) 0.555 10.092 ( -0.613 0.000 0.801) 1.009 10.096 ( -0.144 0.000 -0.542) 0.561 10.189 ( 2.336 0.000 0.194) 2.344 10.214 ( 0.096 0.000 0.029) 0.100 10.374 ( -2.931 0.000 -1.277) 3.197 10.433 ( 1.017 0.000 8.846) 8.905 10.497 ( 0.261 0.000 -1.287) 1.313 10.505 ( -0.055 0.000 -2.286) 2.286 10.562 ( -7.078 0.000 9.231) 11.632 10.702 ( -0.179 0.000 -0.758) 0.779 10.707 ( -0.263 0.000 -1.040) 1.072 10.793 ( 0.575 0.000 0.508) 0.768 10.806 ( 1.623 0.000 4.688) 4.961 10.812 ( -0.227 0.000 0.227) 0.321 10.880 ( -0.673 0.000 4.053) 4.109 10.952 ( 0.450 0.000 1.583) 1.646 10.994 ( -1.337 0.000 3.430) 3.681 11.219 ( 6.519 0.000 -7.146) 9.673 11.334 ( -0.521 0.000 -6.732) 6.753 11.378 ( 1.886 0.000 2.894) 3.454 11.506 ( -5.105 0.000 1.888) 5.443 11.671 ( -0.468 0.000 2.340) 2.387 11.690 ( -0.622 0.000 4.942) 4.981 11.727 ( 6.756 0.000 0.750) 6.798 11.930 ( -3.538 0.000 -2.010) 4.069 12.015 ( -0.443 0.000 7.661) 7.674 12.115 ( -4.982 0.000 7.166) 8.727 12.336 ( -0.217 0.000 0.444) 0.494 12.368 ( -2.186 0.000 0.475) 2.237 12.503 ( 0.222 0.000 1.524) 1.540 12.531 ( -0.947 0.000 1.774) 2.011 12.574 ( 5.837 0.000 -0.326) 5.846 12.749 ( -2.271 0.000 -2.307) 3.237 12.956 ( 2.055 0.000 6.558) 6.873 13.035 ( -1.396 0.000 4.885) 5.081 13.105 ( 7.977 0.000 1.446) 8.107 13.477 ( -8.042 0.000 -3.332) 8.705 13.850 ( 13.121 0.000 -1.138) 13.171 14.204 ( -4.583 0.000 -4.758) 6.606 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -5.576 0.000 11.790) 13.042 1.211 ( 5.576 0.000 11.790) 13.042 1.428 ( -16.473 0.000 20.233) 26.091 1.428 ( 16.473 0.000 20.233) 26.091 2.012 ( -2.950 0.000 -0.742) 3.042 2.012 ( 2.950 0.000 -0.742) 3.042 2.058 ( -4.624 0.000 11.207) 12.124 2.058 ( 4.624 0.000 11.207) 12.124 2.531 ( -3.129 0.000 -1.740) 3.580 2.531 ( 3.129 0.000 -1.740) 3.580 2.661 ( -13.929 0.000 7.079) 15.625 2.661 ( 13.929 0.000 7.079) 15.625 3.099 ( -1.066 0.000 -3.692) 3.843 3.099 ( 1.066 0.000 -3.692) 3.843 3.234 ( -6.234 0.000 -11.248) 12.860 3.234 ( 6.234 0.000 -11.248) 12.860 3.312 ( -8.094 0.000 -0.783) 8.132 3.312 ( 8.094 0.000 -0.783) 8.132 3.500 ( -1.482 0.000 -9.350) 9.467 3.500 ( 1.482 0.000 -9.350) 9.467 3.756 ( -6.747 0.000 -5.357) 8.615 3.756 ( 6.747 0.000 -5.357) 8.615 3.813 ( -2.892 0.000 -1.074) 3.084 3.813 ( 2.892 0.000 -1.074) 3.084 4.206 ( -6.141 0.000 -21.404) 22.267 4.206 ( 6.141 0.000 -21.404) 22.267 4.331 ( -6.307 0.000 -6.322) 8.930 4.331 ( 6.307 0.000 -6.322) 8.930 4.587 ( -1.727 0.000 -5.640) 5.898 4.587 ( 1.727 0.000 -5.640) 5.898 4.742 ( -8.541 0.000 -5.900) 10.380 4.742 ( 8.541 0.000 -5.900) 10.380 4.840 ( -3.281 0.000 -3.279) 4.639 4.840 ( 3.281 0.000 -3.279) 4.639 5.142 ( -6.181 0.000 -13.478) 14.828 5.142 ( 6.181 0.000 -13.478) 14.828 5.312 ( -0.171 0.000 -5.736) 5.739 5.312 ( 0.171 0.000 -5.736) 5.739 5.695 ( -1.737 0.000 -8.900) 9.068 5.695 ( 1.737 0.000 -8.900) 9.068 6.126 ( -2.361 0.000 5.854) 6.312 6.126 ( 2.361 0.000 5.854) 6.312 6.344 ( -1.205 0.000 -2.867) 3.110 6.344 ( 1.205 0.000 -2.867) 3.110 6.637 ( -2.164 0.000 13.505) 13.677 6.637 ( 2.164 0.000 13.505) 13.677 6.862 ( -2.880 0.000 12.211) 12.546 6.862 ( 2.880 0.000 12.211) 12.546 7.136 ( -3.695 0.000 9.221) 9.934 7.136 ( 3.695 0.000 9.221) 9.934 7.320 ( -4.115 0.000 13.368) 13.987 7.320 ( 4.115 0.000 13.368) 13.987 7.500 ( -1.045 0.000 11.256) 11.305 7.500 ( 1.045 0.000 11.256) 11.305 7.821 ( -3.217 0.000 7.125) 7.817 7.821 ( 3.217 0.000 7.125) 7.817 8.553 ( -4.296 0.000 -0.584) 4.336 8.553 ( 4.296 0.000 -0.584) 4.336 8.555 ( -6.257 0.000 2.658) 6.798 8.555 ( 6.257 0.000 2.658) 6.798 8.930 ( -1.558 0.000 2.009) 2.542 8.930 ( 1.558 0.000 2.009) 2.542 9.188 ( -0.573 0.000 -0.899) 1.066 9.188 ( 0.573 0.000 -0.899) 1.066 9.393 ( -0.459 0.000 1.049) 1.146 9.393 ( 0.459 0.000 1.049) 1.146 10.007 ( -3.173 0.000 -0.385) 3.196 10.007 ( 3.173 0.000 -0.385) 3.196 10.089 ( -0.497 0.000 -0.327) 0.595 10.089 ( 0.497 0.000 -0.327) 0.595 10.157 ( -4.296 0.000 -1.355) 4.505 10.157 ( 4.296 0.000 -1.355) 4.505 10.289 ( -6.053 0.000 2.200) 6.441 10.289 ( 6.053 0.000 2.200) 6.441 10.465 ( -3.095 0.000 9.464) 9.958 10.465 ( 3.095 0.000 9.464) 9.958 10.502 ( -0.279 0.000 -1.813) 1.834 10.502 ( 0.279 0.000 -1.813) 1.834 10.702 ( -0.198 0.000 -0.930) 0.951 10.702 ( 0.198 0.000 -0.930) 0.951 10.804 ( -0.576 0.000 0.432) 0.720 10.804 ( 0.576 0.000 0.432) 0.720 10.850 ( -2.546 0.000 3.780) 4.558 10.850 ( 2.546 0.000 3.780) 4.558 10.970 ( -1.328 0.000 3.240) 3.502 10.970 ( 1.328 0.000 3.240) 3.502 11.306 ( -3.038 0.000 -7.556) 8.143 11.306 ( 3.038 0.000 -7.556) 8.143 11.428 ( -3.620 0.000 2.522) 4.411 11.428 ( 3.620 0.000 2.522) 4.411 11.674 ( -0.817 0.000 4.445) 4.520 11.674 ( 0.817 0.000 4.445) 4.520 11.843 ( -5.956 0.000 -0.667) 5.993 11.843 ( 5.956 0.000 -0.667) 5.993 12.036 ( -3.072 0.000 6.970) 7.617 12.036 ( 3.072 0.000 6.970) 7.617 12.341 ( -0.888 0.000 0.326) 0.946 12.341 ( 0.888 0.000 0.326) 0.946 12.513 ( -0.882 0.000 1.646) 1.867 12.513 ( 0.882 0.000 1.646) 1.867 12.676 ( -5.299 0.000 -0.967) 5.386 12.676 ( 5.299 0.000 -0.967) 5.386 12.999 ( -2.442 0.000 5.622) 6.129 12.999 ( 2.442 0.000 5.622) 6.129 13.294 ( -11.653 0.000 -0.775) 11.679 13.294 ( 11.653 0.000 -0.775) 11.679 14.072 ( -10.393 0.000 -5.522) 11.769 14.072 ( 10.393 0.000 -5.522) 11.769 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 10.212 20.926) 23.285 1.244 ( 0.000 9.559 20.540) 22.655 1.529 ( 0.000 12.971 6.118) 14.341 1.808 ( 0.000 -8.415 -0.729) 8.446 1.936 ( 0.000 8.188 2.673) 8.613 1.950 ( 0.000 12.025 17.411) 21.160 2.164 ( 0.000 5.914 10.370) 11.938 2.293 ( 0.000 13.705 8.017) 15.878 2.332 ( 0.000 -2.604 3.343) 4.238 2.448 ( 0.000 1.961 -4.697) 5.090 2.647 ( 0.000 -0.819 -7.089) 7.137 2.851 ( 0.000 -6.710 -4.178) 7.905 3.046 ( 0.000 -2.326 -3.108) 3.882 3.054 ( 0.000 -7.193 4.808) 8.651 3.141 ( 0.000 5.110 -8.621) 10.022 3.282 ( 0.000 6.079 -8.035) 10.075 3.413 ( 0.000 9.020 -5.574) 10.603 3.483 ( 0.000 5.760 -12.841) 14.074 3.589 ( 0.000 3.810 -6.883) 7.867 3.625 ( 0.000 6.597 2.517) 7.061 3.803 ( 0.000 -0.353 -7.346) 7.354 3.848 ( 0.000 10.084 -8.058) 12.908 3.930 ( 0.000 4.697 -9.212) 10.341 3.999 ( 0.000 7.846 0.177) 7.848 4.164 ( 0.000 0.940 -19.727) 19.749 4.240 ( 0.000 -4.390 -10.240) 11.142 4.344 ( 0.000 -3.829 -10.652) 11.319 4.473 ( 0.000 -5.257 -8.526) 10.016 4.497 ( 0.000 8.508 -7.669) 11.454 4.614 ( 0.000 10.612 0.456) 10.622 4.692 ( 0.000 9.388 -7.547) 12.045 4.820 ( 0.000 6.336 -1.016) 6.417 4.931 ( 0.000 0.450 -3.262) 3.293 4.945 ( 0.000 0.721 -6.333) 6.374 5.078 ( 0.000 2.940 -10.631) 11.030 5.333 ( 0.000 1.699 -3.453) 3.848 5.367 ( 0.000 -5.867 -11.795) 13.174 5.390 ( 0.000 4.537 -6.441) 7.878 5.490 ( 0.000 -1.202 -13.529) 13.582 5.605 ( 0.000 -0.523 -3.456) 3.495 6.033 ( 0.000 -10.025 5.262) 11.322 6.046 ( 0.000 -9.454 6.773) 11.630 6.222 ( 0.000 -7.725 -6.013) 9.790 6.224 ( 0.000 -8.090 -1.397) 8.209 6.431 ( 0.000 -5.000 12.510) 13.472 6.499 ( 0.000 -6.777 4.958) 8.397 6.788 ( 0.000 -8.309 12.950) 15.386 6.961 ( 0.000 -11.972 6.568) 13.655 7.012 ( 0.000 0.408 11.701) 11.708 7.267 ( 0.000 0.366 12.727) 12.732 7.272 ( 0.000 0.357 11.326) 11.331 7.325 ( 0.000 -4.274 12.340) 13.059 7.532 ( 0.000 0.890 10.575) 10.612 7.572 ( 0.000 0.645 12.382) 12.399 7.705 ( 0.000 -1.092 7.508) 7.587 7.851 ( 0.000 -2.005 5.165) 5.540 8.444 ( 0.000 -0.763 1.620) 1.791 8.473 ( 0.000 -1.886 6.304) 6.580 8.623 ( 0.000 -0.405 0.396) 0.566 8.728 ( 0.000 -1.289 3.455) 3.688 8.902 ( 0.000 1.997 2.229) 2.992 8.985 ( 0.000 -0.225 -0.179) 0.287 9.101 ( 0.000 -1.363 0.449) 1.435 9.139 ( 0.000 -1.533 -0.222) 1.549 9.402 ( 0.000 1.857 0.874) 2.052 9.437 ( 0.000 3.000 0.108) 3.002 9.932 ( 0.000 -2.443 -1.641) 2.943 9.947 ( 0.000 -5.675 -2.004) 6.018 10.029 ( 0.000 -3.887 0.123) 3.889 10.121 ( 0.000 1.644 0.206) 1.657 10.126 ( 0.000 0.817 1.739) 1.921 10.193 ( 0.000 0.682 -0.416) 0.799 10.196 ( 0.000 -0.441 -1.084) 1.170 10.305 ( 0.000 -12.312 0.489) 12.321 10.386 ( 0.000 -1.354 5.518) 5.682 10.437 ( 0.000 -5.338 2.880) 6.065 10.461 ( 0.000 -1.906 -1.111) 2.207 10.540 ( 0.000 2.241 -0.640) 2.331 10.642 ( 0.000 -0.004 5.003) 5.003 10.711 ( 0.000 -5.022 1.765) 5.323 10.745 ( 0.000 -0.117 2.032) 2.035 10.767 ( 0.000 -2.401 3.674) 4.389 10.902 ( 0.000 10.791 3.133) 11.237 11.030 ( 0.000 4.784 -0.071) 4.785 11.031 ( 0.000 3.184 1.262) 3.425 11.101 ( 0.000 2.031 -2.354) 3.109 11.213 ( 0.000 7.439 -1.634) 7.616 11.228 ( 0.000 -2.346 -2.358) 3.326 11.474 ( 0.000 4.297 2.483) 4.963 11.613 ( 0.000 0.962 -1.280) 1.601 11.656 ( 0.000 -2.420 6.688) 7.112 11.667 ( 0.000 2.190 3.829) 4.411 11.693 ( 0.000 1.910 0.400) 1.952 11.953 ( 0.000 -2.104 2.656) 3.389 12.066 ( 0.000 2.274 3.032) 3.790 12.154 ( 0.000 0.439 7.113) 7.126 12.231 ( 0.000 -8.244 1.784) 8.435 12.369 ( 0.000 0.673 -0.360) 0.763 12.419 ( 0.000 -2.414 2.134) 3.222 12.634 ( 0.000 5.986 -0.510) 6.007 12.673 ( 0.000 6.772 0.330) 6.780 12.786 ( 0.000 2.685 -1.463) 3.058 12.957 ( 0.000 1.897 6.942) 7.196 13.005 ( 0.000 -2.255 0.282) 2.273 13.179 ( 0.000 9.480 -2.229) 9.738 13.502 ( 0.000 -4.634 -9.613) 10.671 13.613 ( 0.000 -7.733 9.007) 11.872 14.125 ( 0.000 -10.350 -3.244) 10.846 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 6.587 6.965 21.435) 23.481 1.301 ( 5.796 11.351 15.135) 19.787 1.498 ( -3.133 12.054 9.512) 15.671 1.699 ( -10.868 -0.868 8.308) 13.707 1.962 ( 2.782 6.423 1.402) 7.139 2.005 ( 3.105 8.729 6.303) 11.206 2.175 ( 1.944 6.344 6.148) 9.045 2.306 ( -0.143 11.984 6.989) 13.874 2.378 ( 6.795 -2.376 8.308) 10.992 2.470 ( 2.470 1.064 -4.104) 4.907 2.626 ( -2.304 0.208 -7.560) 7.906 2.784 ( -6.353 -6.491 -1.116) 9.151 3.047 ( -0.254 -5.088 4.779) 6.985 3.057 ( 0.460 -2.507 0.148) 2.554 3.142 ( 0.545 2.979 -9.418) 9.893 3.331 ( 5.268 8.468 -8.927) 13.385 3.369 ( -6.776 4.128 -6.851) 10.483 3.473 ( 0.431 5.914 -8.829) 10.635 3.563 ( -1.723 2.391 -5.683) 6.402 3.631 ( -0.431 6.294 -2.294) 6.713 3.788 ( -2.450 6.989 -7.835) 10.782 3.808 ( -4.380 3.253 -5.230) 7.558 3.919 ( 0.533 6.122 -5.780) 8.437 3.995 ( -1.706 7.434 -1.348) 7.745 4.170 ( 2.064 -0.560 -15.191) 15.341 4.204 ( 0.676 2.068 -14.269) 14.434 4.383 ( -4.996 -2.575 -7.132) 9.080 4.430 ( 2.160 0.589 -15.809) 15.967 4.508 ( -3.431 6.488 -2.722) 7.828 4.590 ( 3.013 4.681 -4.728) 7.304 4.744 ( 3.005 6.865 -6.827) 10.137 4.833 ( 1.381 6.407 -1.606) 6.748 4.878 ( -3.667 0.208 -6.489) 7.456 4.934 ( -2.283 2.706 -4.429) 5.670 5.102 ( 2.546 3.194 -10.956) 11.693 5.279 ( -6.613 -0.853 -10.942) 12.813 5.326 ( 0.136 1.048 -4.568) 4.689 5.390 ( -1.021 5.541 -5.718) 8.027 5.584 ( 6.155 -2.885 -12.644) 14.355 5.635 ( 3.162 -2.390 -4.413) 5.932 6.011 ( -0.921 -8.833 8.228) 12.106 6.055 ( -0.689 -9.622 3.502) 10.263 6.206 ( 0.710 -9.084 -2.547) 9.461 6.249 ( 0.450 -8.376 -2.463) 8.742 6.477 ( 4.845 -6.061 12.361) 14.595 6.527 ( 2.844 -7.308 6.330) 10.078 6.767 ( -2.102 -8.857 11.195) 14.429 6.871 ( -7.528 -9.667 8.993) 15.199 7.056 ( 3.196 -1.205 10.496) 11.038 7.210 ( -4.535 -0.047 11.768) 12.611 7.279 ( 0.397 0.272 12.861) 12.870 7.332 ( -0.179 -3.856 11.916) 12.526 7.538 ( 0.067 1.853 10.728) 10.887 7.540 ( -2.081 1.901 13.127) 13.426 7.735 ( 3.005 -1.892 7.954) 8.711 7.836 ( -1.636 -2.271 6.517) 7.092 8.472 ( 2.673 -0.663 1.754) 3.265 8.483 ( 2.214 -0.612 4.050) 4.656 8.599 ( -2.518 -0.807 0.459) 2.684 8.666 ( -5.763 -0.999 1.891) 6.147 8.925 ( 1.356 1.730 2.463) 3.301 8.965 ( -1.422 0.390 0.830) 1.692 9.135 ( 2.611 -1.785 -0.764) 3.254 9.157 ( 1.549 -1.489 -0.088) 2.150 9.408 ( 0.619 1.975 0.800) 2.219 9.431 ( -0.545 2.745 0.260) 2.810 9.942 ( 1.475 -4.055 -1.127) 4.460 9.968 ( 1.828 -5.292 -1.840) 5.894 10.038 ( 0.381 -4.232 -0.172) 4.253 10.061 ( -3.843 -0.455 -0.143) 3.873 10.149 ( 1.076 -0.666 2.990) 3.247 10.187 ( 0.354 1.835 0.080) 1.871 10.211 ( 0.147 -0.913 0.462) 1.034 10.277 ( -2.698 -7.492 0.819) 8.006 10.392 ( 0.572 -1.668 4.899) 5.207 10.426 ( -1.121 -3.384 3.240) 4.817 10.480 ( 1.964 -1.827 -1.857) 3.262 10.540 ( -0.310 2.285 -1.388) 2.692 10.637 ( 0.154 -1.610 3.215) 3.599 10.707 ( -2.708 -1.084 2.000) 3.537 10.731 ( 1.488 -3.168 2.911) 4.552 10.774 ( -0.256 -1.857 3.143) 3.659 10.932 ( 2.912 9.255 3.477) 10.307 11.016 ( -1.142 5.257 1.837) 5.685 11.046 ( 1.183 2.938 -0.176) 3.172 11.092 ( -0.877 3.139 -1.197) 3.472 11.229 ( 1.078 0.433 -2.537) 2.790 11.239 ( 1.029 3.086 -2.431) 4.061 11.487 ( 1.451 4.230 2.543) 5.144 11.571 ( -2.803 3.217 0.977) 4.378 11.651 ( -0.092 -1.291 5.478) 5.629 11.676 ( -0.267 0.227 2.500) 2.524 11.755 ( 5.608 1.661 1.143) 5.960 11.932 ( -2.399 -1.106 0.971) 2.815 12.034 ( -2.193 1.028 4.882) 5.450 12.102 ( -4.284 -1.017 6.872) 8.161 12.286 ( 4.703 -3.598 0.610) 5.953 12.372 ( 0.817 1.729 0.680) 2.029 12.465 ( 2.711 -0.796 0.985) 2.992 12.543 ( -5.615 2.150 0.354) 6.023 12.700 ( -2.072 5.672 0.408) 6.052 12.769 ( -1.416 3.070 -0.943) 3.510 12.948 ( 3.698 -1.613 5.374) 6.720 13.085 ( 6.456 -0.648 -0.110) 6.489 13.138 ( -3.262 7.755 1.126) 8.488 13.418 ( -8.150 -5.041 -2.171) 9.826 13.761 ( 12.444 -7.571 -1.642) 14.659 14.089 ( -4.218 -10.033 -4.035) 11.607 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -4.550 7.316 13.349) 15.888 1.357 ( 4.550 7.316 13.349) 15.888 1.499 ( -8.351 8.888 15.965) 20.091 1.499 ( 8.351 8.888 15.965) 20.091 2.009 ( -1.933 5.734 -0.631) 6.084 2.009 ( 1.933 5.734 -0.631) 6.084 2.249 ( -5.180 8.213 4.043) 10.518 2.249 ( 5.180 8.213 4.043) 10.518 2.507 ( -1.830 0.176 2.253) 2.909 2.507 ( 1.830 0.176 2.253) 2.909 2.638 ( -7.866 -2.786 -0.873) 8.390 2.638 ( 7.866 -2.786 -0.873) 8.390 3.053 ( -0.917 -1.918 3.755) 4.315 3.053 ( 0.917 -1.918 3.755) 4.315 3.213 ( -8.028 0.024 -6.970) 10.632 3.213 ( 8.028 0.024 -6.970) 10.632 3.436 ( -5.188 8.375 -9.641) 13.784 3.436 ( 5.188 8.375 -9.641) 13.784 3.587 ( -4.003 1.515 -4.473) 6.191 3.587 ( 4.003 1.515 -4.473) 6.191 3.753 ( -0.286 7.274 -6.144) 9.525 3.753 ( 0.286 7.274 -6.144) 9.525 3.949 ( -2.521 7.753 -3.567) 8.899 3.949 ( 2.521 7.753 -3.567) 8.899 4.238 ( -3.457 -3.163 -12.362) 13.221 4.238 ( 3.457 -3.163 -12.362) 13.221 4.334 ( -4.836 8.171 -11.428) 14.858 4.334 ( 4.836 8.171 -11.428) 14.858 4.575 ( -4.298 0.064 -6.176) 7.524 4.575 ( 4.298 0.064 -6.176) 7.524 4.806 ( -3.827 4.765 -7.120) 9.383 4.806 ( 3.827 4.765 -7.120) 9.383 4.880 ( -3.032 4.418 -3.254) 6.268 4.880 ( 3.032 4.418 -3.254) 6.268 5.170 ( -5.151 1.297 -11.721) 12.869 5.170 ( 5.151 1.297 -11.721) 12.869 5.352 ( -2.417 4.320 -4.449) 6.656 5.352 ( 2.417 4.320 -4.449) 6.656 5.660 ( -1.729 -2.992 -8.941) 9.585 5.660 ( 1.729 -2.992 -8.941) 9.585 6.022 ( -2.096 -9.142 6.023) 11.147 6.022 ( 2.096 -9.142 6.023) 11.147 6.235 ( -1.753 -9.289 -1.574) 9.583 6.235 ( 1.753 -9.289 -1.574) 9.583 6.557 ( -1.634 -7.363 10.473) 12.906 6.557 ( 1.634 -7.363 10.473) 12.906 6.755 ( -3.055 -9.618 9.049) 13.554 6.755 ( 3.055 -9.618 9.049) 13.554 7.125 ( -4.587 -0.225 11.262) 12.163 7.125 ( 4.587 -0.225 11.262) 12.163 7.304 ( -2.190 -1.613 13.088) 13.367 7.304 ( 2.190 -1.613 13.088) 13.367 7.530 ( -0.591 2.386 11.732) 11.987 7.530 ( 0.591 2.386 11.732) 11.987 7.793 ( -3.093 -2.369 8.063) 8.955 7.793 ( 3.093 -2.369 8.063) 8.955 8.535 ( -4.102 -0.878 1.419) 4.428 8.535 ( 4.102 -0.878 1.419) 4.428 8.559 ( -5.257 -0.278 1.104) 5.379 8.559 ( 5.257 -0.278 1.104) 5.379 8.943 ( -0.996 1.270 1.931) 2.517 8.943 ( 0.996 1.270 1.931) 2.517 9.168 ( -0.726 -1.686 -0.760) 1.987 9.168 ( 0.726 -1.686 -0.760) 1.987 9.420 ( -0.682 2.307 0.571) 2.473 9.420 ( 0.682 2.307 0.571) 2.473 9.978 ( -1.934 -5.077 -1.169) 5.557 9.978 ( 1.934 -5.077 -1.169) 5.557 10.027 ( -0.988 -3.088 -0.311) 3.258 10.027 ( 0.988 -3.088 -0.311) 3.258 10.177 ( -1.638 -2.365 3.421) 4.470 10.177 ( 1.638 -2.365 3.421) 4.470 10.228 ( -2.259 -0.211 0.151) 2.274 10.228 ( 2.259 -0.211 0.151) 2.274 10.405 ( -1.004 -2.033 3.967) 4.569 10.405 ( 1.004 -2.033 3.967) 4.569 10.519 ( -1.990 0.464 -2.272) 3.056 10.519 ( 1.990 0.464 -2.272) 3.056 10.660 ( -2.262 -1.450 2.106) 3.414 10.660 ( 2.262 -1.450 2.106) 3.414 10.758 ( -1.347 -2.338 3.104) 4.113 10.758 ( 1.347 -2.338 3.104) 4.113 10.984 ( -2.505 7.105 3.140) 8.162 10.984 ( 2.505 7.105 3.140) 8.162 11.071 ( -1.430 2.698 -0.487) 3.093 11.071 ( 1.430 2.698 -0.487) 3.093 11.245 ( -0.497 1.606 -2.704) 3.184 11.245 ( 0.497 1.606 -2.704) 3.184 11.524 ( -2.508 4.069 1.982) 5.175 11.524 ( 2.508 4.069 1.982) 5.175 11.661 ( -1.061 -0.030 4.337) 4.465 11.661 ( 1.061 -0.030 4.337) 4.465 11.859 ( -5.537 0.664 -0.136) 5.579 11.859 ( 5.537 0.664 -0.136) 5.579 12.035 ( -2.507 -0.500 6.615) 7.091 12.035 ( 2.507 -0.500 6.615) 7.091 12.366 ( -3.136 2.228 -0.437) 3.871 12.366 ( 3.136 2.228 -0.437) 3.871 12.479 ( -0.962 -1.135 1.506) 2.117 12.479 ( 0.962 -1.135 1.506) 2.117 12.708 ( -3.444 1.918 0.755) 4.014 12.708 ( 3.444 1.918 0.755) 4.014 13.057 ( -5.766 4.026 2.339) 7.411 13.057 ( 5.766 4.026 2.339) 7.411 13.242 ( -10.397 -3.793 -0.008) 11.068 13.242 ( 10.397 -3.793 -0.008) 11.068 13.967 ( -9.540 -9.039 -4.855) 14.010 13.967 ( 9.540 -9.039 -4.855) 14.010 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 8.883 15.976) 18.279 1.487 ( 0.000 17.154 15.568) 23.165 1.706 ( 0.000 5.674 7.093) 9.083 1.708 ( 0.000 -0.142 5.382) 5.384 2.017 ( 0.000 -13.217 2.879) 13.527 2.237 ( 0.000 0.401 3.443) 3.467 2.299 ( 0.000 4.587 -3.998) 6.085 2.333 ( 0.000 17.367 2.010) 17.483 2.477 ( 0.000 2.211 1.246) 2.537 2.559 ( 0.000 -2.303 -6.922) 7.295 2.640 ( 0.000 10.811 -4.606) 11.752 2.800 ( 0.000 5.005 -0.628) 5.045 2.947 ( 0.000 -3.065 5.011) 5.874 2.952 ( 0.000 -5.326 -3.212) 6.220 3.259 ( 0.000 4.787 -5.310) 7.149 3.448 ( 0.000 6.038 -8.143) 10.137 3.538 ( 0.000 -1.611 -8.738) 8.885 3.593 ( 0.000 1.196 -7.506) 7.601 3.609 ( 0.000 -4.151 4.101) 5.835 3.706 ( 0.000 11.278 -2.303) 11.510 3.858 ( 0.000 3.028 -8.121) 8.667 3.910 ( 0.000 -6.597 -6.112) 8.993 4.070 ( 0.000 6.288 -6.717) 9.201 4.177 ( 0.000 13.482 -6.164) 14.825 4.185 ( 0.000 2.342 -15.401) 15.578 4.314 ( 0.000 0.786 -6.611) 6.657 4.405 ( 0.000 1.600 -14.636) 14.723 4.429 ( 0.000 11.742 -8.847) 14.702 4.757 ( 0.000 13.260 -9.613) 16.378 4.784 ( 0.000 2.412 -5.151) 5.687 4.879 ( 0.000 12.548 1.041) 12.591 4.960 ( 0.000 2.756 -3.865) 4.747 5.005 ( 0.000 6.790 -5.622) 8.815 5.114 ( 0.000 8.998 -7.084) 11.452 5.132 ( 0.000 0.443 -5.603) 5.621 5.229 ( 0.000 1.194 -3.375) 3.580 5.320 ( 0.000 -2.782 -4.275) 5.101 5.394 ( 0.000 -4.108 -5.163) 6.598 5.533 ( 0.000 4.783 -5.836) 7.546 5.677 ( 0.000 2.472 -0.280) 2.487 5.771 ( 0.000 -9.552 1.491) 9.667 5.792 ( 0.000 -11.138 4.961) 12.193 6.015 ( 0.000 -9.954 -3.850) 10.672 6.056 ( 0.000 -6.110 -0.962) 6.185 6.268 ( 0.000 -9.041 5.430) 10.547 6.295 ( 0.000 -10.962 0.737) 10.987 6.545 ( 0.000 -12.652 5.919) 13.968 6.637 ( 0.000 -16.479 4.679) 17.131 7.039 ( 0.000 2.122 14.162) 14.320 7.207 ( 0.000 -5.223 13.951) 14.896 7.279 ( 0.000 0.689 12.620) 12.639 7.290 ( 0.000 0.298 11.337) 11.341 7.550 ( 0.000 0.666 12.075) 12.093 7.577 ( 0.000 -0.297 13.688) 13.691 7.690 ( 0.000 0.255 9.765) 9.768 7.792 ( 0.000 -3.255 8.088) 8.719 8.426 ( 0.000 -0.659 2.034) 2.139 8.439 ( 0.000 -1.204 5.140) 5.279 8.618 ( 0.000 0.301 0.123) 0.325 8.689 ( 0.000 -2.148 2.212) 3.083 8.956 ( 0.000 2.646 2.153) 3.411 8.985 ( 0.000 0.371 -0.512) 0.633 9.068 ( 0.000 -1.416 -0.221) 1.433 9.100 ( 0.000 -1.978 0.989) 2.212 9.460 ( 0.000 3.767 0.350) 3.783 9.521 ( 0.000 4.665 -0.672) 4.714 9.774 ( 0.000 -9.441 -0.439) 9.451 9.810 ( 0.000 -7.405 0.030) 7.405 9.985 ( 0.000 -0.648 -1.558) 1.688 10.068 ( 0.000 -6.137 2.538) 6.641 10.141 ( 0.000 0.382 -0.064) 0.388 10.154 ( 0.000 0.106 -1.504) 1.508 10.201 ( 0.000 0.775 1.282) 1.498 10.201 ( 0.000 0.547 1.515) 1.610 10.387 ( 0.000 1.248 1.678) 2.092 10.416 ( 0.000 0.065 -0.105) 0.124 10.447 ( 0.000 0.522 -1.334) 1.433 10.568 ( 0.000 -1.320 -2.150) 2.523 10.627 ( 0.000 -0.641 4.188) 4.237 10.627 ( 0.000 -1.709 2.201) 2.787 10.733 ( 0.000 0.360 3.713) 3.730 10.782 ( 0.000 2.350 1.190) 2.634 10.956 ( 0.000 -5.427 -1.550) 5.644 11.014 ( 0.000 -5.231 -2.599) 5.841 11.111 ( 0.000 8.449 4.573) 9.607 11.212 ( 0.000 3.619 2.794) 4.572 11.275 ( 0.000 6.050 1.570) 6.250 11.329 ( 0.000 0.752 2.615) 2.721 11.559 ( 0.000 3.901 2.622) 4.700 11.633 ( 0.000 1.454 7.941) 8.073 11.641 ( 0.000 1.253 -1.215) 1.746 11.698 ( 0.000 1.253 5.060) 5.213 11.748 ( 0.000 2.663 2.405) 3.588 11.876 ( 0.000 -4.320 4.861) 6.503 12.025 ( 0.000 -3.551 6.214) 7.157 12.066 ( 0.000 -6.574 3.317) 7.363 12.269 ( 0.000 6.921 0.592) 6.946 12.382 ( 0.000 0.058 -0.193) 0.202 12.421 ( 0.000 2.832 1.861) 3.389 12.675 ( 0.000 -2.813 0.367) 2.837 12.797 ( 0.000 4.465 -0.882) 4.552 12.837 ( 0.000 1.331 0.901) 1.607 13.012 ( 0.000 2.883 5.636) 6.331 13.026 ( 0.000 4.796 -6.532) 8.104 13.369 ( 0.000 7.511 -5.128) 9.095 13.389 ( 0.000 -4.951 -8.328) 9.689 13.412 ( 0.000 -9.070 8.210) 12.234 13.842 ( 0.000 -14.513 -1.899) 14.637 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 3.425 10.621 15.462) 19.069 1.564 ( 6.074 14.596 11.719) 19.679 1.661 ( -4.073 5.558 10.316) 12.406 1.722 ( 0.552 2.112 6.349) 6.714 2.059 ( 3.830 -11.875 3.278) 12.901 2.199 ( -3.303 3.808 1.349) 5.219 2.243 ( -5.014 3.849 3.065) 7.025 2.384 ( 7.875 7.282 -2.881) 11.106 2.438 ( -7.336 -3.770 -9.815) 12.820 2.572 ( 2.143 6.659 1.130) 7.086 2.655 ( 1.236 5.278 -2.961) 6.177 2.744 ( -4.717 6.140 -2.373) 8.098 2.978 ( 4.122 -0.986 5.058) 6.599 3.008 ( 4.547 -2.208 -0.913) 5.137 3.222 ( -3.957 3.208 -4.211) 6.609 3.374 ( -10.023 -2.811 -6.325) 12.181 3.535 ( 3.292 5.358 -6.834) 9.287 3.570 ( 0.639 3.405 -1.535) 3.789 3.647 ( -0.075 0.968 -6.437) 6.510 3.700 ( -1.477 10.396 -4.068) 11.261 3.875 ( -1.685 -2.472 -6.776) 7.407 3.901 ( 4.693 -1.308 -8.048) 9.408 4.002 ( -7.025 0.882 -3.348) 7.832 4.099 ( -3.466 4.850 -11.980) 13.381 4.282 ( 2.953 6.290 -7.687) 10.362 4.303 ( 0.846 10.427 -8.683) 13.595 4.447 ( 4.311 3.220 -14.349) 15.325 4.471 ( 2.909 7.037 -11.512) 13.803 4.710 ( -2.229 11.544 -6.302) 13.340 4.807 ( -3.650 8.227 -4.144) 9.908 4.864 ( 1.947 11.334 -2.384) 11.744 4.920 ( -1.045 3.751 -5.238) 6.527 5.032 ( 0.819 7.803 -4.455) 9.022 5.079 ( -1.901 5.768 -7.260) 9.465 5.169 ( 1.600 4.923 -5.456) 7.522 5.219 ( -1.163 0.970 -4.321) 4.578 5.385 ( 5.332 -0.034 -0.540) 5.360 5.426 ( 3.830 -3.448 -6.445) 8.253 5.548 ( 1.541 0.204 -7.334) 7.497 5.647 ( -3.249 2.343 -1.423) 4.251 5.776 ( 0.161 -9.797 2.799) 10.190 5.793 ( -0.214 -11.391 4.527) 12.259 5.992 ( -1.468 -9.546 -3.173) 10.166 6.037 ( -2.020 -9.132 -0.563) 9.369 6.288 ( 2.490 -10.254 5.351) 11.831 6.316 ( 2.320 -10.862 2.117) 11.307 6.515 ( -3.077 -13.071 5.496) 14.509 6.577 ( -5.936 -15.406 4.584) 17.134 7.069 ( 3.141 1.939 13.848) 14.332 7.211 ( -0.981 -1.668 13.463) 13.601 7.239 ( -2.098 -1.824 12.812) 13.111 7.282 ( -1.089 -0.780 12.233) 12.307 7.574 ( 0.163 1.128 13.222) 13.271 7.580 ( 1.926 1.706 11.750) 12.028 7.692 ( 0.675 -1.447 9.897) 10.025 7.773 ( -1.987 -3.409 8.864) 9.702 8.458 ( 2.954 -0.463 2.534) 3.919 8.467 ( 3.352 -0.746 3.123) 4.641 8.589 ( -2.954 0.126 0.454) 2.992 8.639 ( -4.803 -1.455 1.786) 5.327 8.969 ( 0.887 2.155 1.524) 2.784 8.992 ( 0.410 2.099 0.789) 2.280 9.086 ( 1.973 -2.512 -0.417) 3.221 9.116 ( 1.113 -2.325 0.410) 2.610 9.469 ( 0.901 3.842 0.346) 3.961 9.511 ( -1.011 4.561 -0.384) 4.687 9.774 ( 0.277 -9.168 0.047) 9.173 9.807 ( -0.556 -8.883 0.151) 8.902 9.988 ( 0.386 -0.461 -1.299) 1.432 10.059 ( -3.301 -0.863 0.520) 3.451 10.075 ( -0.578 -3.815 1.606) 4.179 10.124 ( -2.398 -1.897 0.825) 3.167 10.241 ( 2.847 1.991 0.298) 3.487 10.274 ( 3.811 1.899 -0.286) 4.267 10.378 ( -0.677 0.021 1.323) 1.487 10.402 ( -0.879 -0.008 0.772) 1.170 10.475 ( 2.352 1.089 -1.307) 2.903 10.566 ( -1.670 -0.358 -1.841) 2.511 10.603 ( 0.525 -1.843 2.276) 2.976 10.645 ( 0.119 -2.394 2.579) 3.521 10.735 ( 0.417 1.616 3.660) 4.023 10.774 ( -0.945 2.542 1.648) 3.173 10.959 ( 0.585 -5.869 -1.658) 6.127 11.004 ( -1.136 -5.679 -2.481) 6.300 11.123 ( 1.241 7.944 4.424) 9.177 11.187 ( -1.976 5.437 3.465) 6.743 11.307 ( 2.351 3.781 1.705) 4.768 11.336 ( 0.532 0.600 2.458) 2.586 11.571 ( 1.259 4.166 2.894) 5.227 11.619 ( -1.202 3.122 5.225) 6.204 11.658 ( 1.735 1.048 1.568) 2.562 11.697 ( -0.147 1.196 4.705) 4.857 11.792 ( 4.074 2.056 2.374) 5.144 11.879 ( 0.274 -2.953 3.965) 4.952 12.005 ( -1.848 -2.895 5.387) 6.389 12.039 ( -2.810 -4.867 4.668) 7.306 12.311 ( 4.823 4.821 -0.145) 6.821 12.411 ( 3.463 1.189 0.040) 3.662 12.479 ( 4.590 2.537 1.078) 5.354 12.598 ( -7.957 2.155 -0.780) 8.280 12.760 ( -5.511 0.746 1.890) 5.874 12.858 ( 6.091 -1.820 -0.854) 6.414 12.899 ( -7.382 3.420 2.404) 8.483 13.105 ( 3.129 0.767 -2.301) 3.959 13.280 ( -5.491 0.494 1.875) 5.823 13.338 ( -3.545 4.665 -2.390) 6.328 13.564 ( 10.075 -9.543 -3.475) 14.306 13.816 ( -3.083 -13.910 -2.672) 14.496 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -6.641 10.345 11.422) 16.781 1.534 ( 6.641 10.345 11.422) 16.781 1.691 ( -4.344 7.304 10.566) 13.559 1.691 ( 4.344 7.304 10.566) 13.559 2.119 ( -3.658 -1.966 5.465) 6.864 2.119 ( 3.658 -1.966 5.465) 6.864 2.286 ( -7.772 -4.023 -6.621) 10.974 2.286 ( 7.772 -4.023 -6.621) 10.974 2.533 ( -6.950 4.464 -3.259) 8.880 2.533 ( 6.950 4.464 -3.259) 8.880 2.682 ( -2.053 6.206 -1.674) 6.747 2.682 ( 2.053 6.206 -1.674) 6.747 3.059 ( -2.521 2.174 4.919) 5.940 3.059 ( 2.521 2.174 4.919) 5.940 3.198 ( -6.123 -2.222 -4.862) 8.128 3.198 ( 6.123 -2.222 -4.862) 8.128 3.589 ( -2.801 2.528 -7.919) 8.771 3.589 ( 2.801 2.528 -7.919) 8.771 3.648 ( -3.608 9.417 -4.545) 11.061 3.648 ( 3.608 9.417 -4.545) 11.061 3.894 ( -3.997 -0.450 -4.230) 5.837 3.894 ( 3.997 -0.450 -4.230) 5.837 4.008 ( -6.355 -1.928 -9.573) 11.651 4.008 ( 6.355 -1.928 -9.573) 11.651 4.311 ( -1.161 11.432 -7.346) 13.639 4.311 ( 1.161 11.432 -7.346) 13.639 4.503 ( -0.496 2.658 -16.417) 16.638 4.503 ( 0.496 2.658 -16.417) 16.638 4.717 ( -3.693 15.004 -1.652) 15.540 4.717 ( 3.693 15.004 -1.652) 15.540 4.908 ( -1.326 5.366 -5.141) 7.548 4.908 ( 1.326 5.366 -5.141) 7.548 5.048 ( -1.426 7.473 -6.015) 9.698 5.048 ( 1.426 7.473 -6.015) 9.698 5.192 ( -1.444 3.505 -5.092) 6.348 5.192 ( 1.444 3.505 -5.092) 6.348 5.462 ( -2.271 2.510 -1.737) 3.804 5.462 ( 2.271 2.510 -1.737) 3.804 5.586 ( -3.017 -3.924 -6.750) 8.370 5.586 ( 3.017 -3.924 -6.750) 8.370 5.779 ( -0.726 -9.990 3.779) 10.705 5.779 ( 0.726 -9.990 3.779) 10.705 5.997 ( -1.904 -10.940 -0.864) 11.138 5.997 ( 1.904 -10.940 -0.864) 11.138 6.343 ( -1.547 -10.867 5.177) 12.136 6.343 ( 1.547 -10.867 5.177) 12.136 6.482 ( -2.144 -14.256 3.963) 14.951 6.482 ( 2.144 -14.256 3.963) 14.951 7.141 ( -4.629 1.657 13.203) 14.089 7.141 ( 4.629 1.657 13.203) 14.089 7.254 ( -1.780 -2.818 13.228) 13.641 7.254 ( 1.780 -2.818 13.228) 13.641 7.587 ( -0.908 2.751 11.922) 12.269 7.587 ( 0.908 2.751 11.922) 12.269 7.727 ( -2.820 -3.488 9.915) 10.883 7.727 ( 2.820 -3.488 9.915) 10.883 8.523 ( -3.970 -0.115 1.597) 4.281 8.523 ( 3.970 -0.115 1.597) 4.281 8.546 ( -4.992 -0.777 1.596) 5.298 8.546 ( 4.992 -0.777 1.596) 5.298 8.986 ( -0.892 2.624 1.359) 3.087 8.986 ( 0.892 2.624 1.359) 3.087 9.119 ( -1.024 -2.805 -0.279) 2.999 9.119 ( 1.024 -2.805 -0.279) 2.999 9.489 ( -1.284 4.178 0.126) 4.373 9.489 ( 1.284 4.178 0.126) 4.373 9.789 ( -1.233 -9.568 0.450) 9.658 9.789 ( 1.233 -9.568 0.450) 9.658 10.006 ( -1.909 0.069 -0.699) 2.034 10.006 ( 1.909 0.069 -0.699) 2.034 10.089 ( -1.440 -3.701 1.636) 4.295 10.089 ( 1.440 -3.701 1.636) 4.295 10.286 ( -1.852 3.195 -0.427) 3.718 10.286 ( 1.852 3.195 -0.427) 3.718 10.385 ( -1.118 -0.752 1.419) 1.957 10.385 ( 1.118 -0.752 1.419) 1.957 10.521 ( -2.693 0.660 -1.323) 3.072 10.521 ( 2.693 0.660 -1.323) 3.072 10.630 ( -1.625 -2.649 1.497) 3.449 10.630 ( 1.625 -2.649 1.497) 3.449 10.751 ( -1.332 2.630 2.834) 4.089 10.751 ( 1.332 2.630 2.834) 4.089 10.979 ( -1.452 -6.192 -2.049) 6.682 10.979 ( 1.452 -6.192 -2.049) 6.682 11.152 ( -1.911 6.919 4.107) 8.270 11.152 ( 1.911 6.919 4.107) 8.270 11.336 ( -0.738 1.386 2.167) 2.676 11.336 ( 0.738 1.386 2.167) 2.676 11.597 ( -1.415 4.226 3.728) 5.810 11.597 ( 1.415 4.226 3.728) 5.810 11.687 ( -1.167 1.280 3.657) 4.047 11.687 ( 1.167 1.280 3.657) 4.047 11.864 ( -2.923 0.447 1.937) 3.535 11.864 ( 2.923 0.447 1.937) 3.535 11.992 ( -1.380 -3.427 5.745) 6.830 11.992 ( 1.380 -3.427 5.745) 6.830 12.432 ( -7.817 3.582 -0.940) 8.650 12.432 ( 7.817 3.582 -0.940) 8.650 12.495 ( -2.989 1.650 0.160) 3.418 12.495 ( 2.989 1.650 0.160) 3.418 12.754 ( -6.064 2.973 2.323) 7.142 12.754 ( 6.064 2.973 2.323) 7.142 13.029 ( -10.079 -6.897 0.250) 12.216 13.029 ( 10.079 -6.897 0.250) 12.216 13.272 ( -3.604 7.167 -0.441) 8.034 13.272 ( 3.604 7.167 -0.441) 8.034 13.724 ( -7.300 -12.329 -3.881) 14.844 13.724 ( 7.300 -12.329 -3.881) 14.844 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 -8.357 6.306) 10.470 1.648 ( 0.000 8.357 6.306) 10.470 1.745 ( 0.000 -4.627 9.155) 10.258 1.745 ( 0.000 4.627 9.155) 10.258 1.969 ( 0.000 -17.319 9.022) 19.528 1.969 ( 0.000 17.319 9.022) 19.528 2.357 ( 0.000 -5.198 -6.523) 8.340 2.357 ( 0.000 5.198 -6.523) 8.340 2.666 ( 0.000 -2.194 -4.835) 5.309 2.666 ( 0.000 2.194 -4.835) 5.309 2.814 ( 0.000 -5.806 0.950) 5.883 2.814 ( 0.000 5.806 0.950) 5.883 2.889 ( 0.000 -1.622 -2.747) 3.190 2.889 ( 0.000 1.622 -2.747) 3.190 3.349 ( 0.000 -5.451 -5.911) 8.041 3.349 ( 0.000 5.451 -5.911) 8.041 3.570 ( 0.000 -2.203 -5.002) 5.466 3.570 ( 0.000 2.203 -5.002) 5.466 3.696 ( 0.000 -9.239 -4.107) 10.111 3.696 ( 0.000 9.239 -4.107) 10.111 3.903 ( 0.000 -2.667 -2.648) 3.758 3.903 ( 0.000 2.667 -2.648) 3.758 4.229 ( 0.000 -3.706 -9.125) 9.848 4.229 ( 0.000 3.706 -9.125) 9.848 4.271 ( 0.000 -7.645 -11.161) 13.528 4.271 ( 0.000 7.645 -11.161) 13.528 4.512 ( 0.000 -3.938 -13.539) 14.100 4.512 ( 0.000 3.938 -13.539) 14.100 4.901 ( 0.000 -3.190 -8.421) 9.005 4.901 ( 0.000 3.190 -8.421) 9.005 5.031 ( 0.000 -4.520 -4.467) 6.355 5.031 ( 0.000 4.520 -4.467) 6.355 5.102 ( 0.000 -10.533 -0.539) 10.547 5.102 ( 0.000 10.533 -0.539) 10.547 5.222 ( 0.000 -7.190 2.800) 7.716 5.222 ( 0.000 7.190 2.800) 7.716 5.334 ( 0.000 -16.346 -3.010) 16.621 5.334 ( 0.000 16.346 -3.010) 16.621 5.556 ( 0.000 -6.164 0.197) 6.167 5.556 ( 0.000 6.164 0.197) 6.167 5.751 ( 0.000 -6.315 -1.108) 6.411 5.751 ( 0.000 6.315 -1.108) 6.411 5.958 ( 0.000 -5.645 -3.265) 6.521 5.958 ( 0.000 5.645 -3.265) 6.521 6.135 ( 0.000 -0.407 -0.406) 0.575 6.135 ( 0.000 0.407 -0.406) 0.575 6.380 ( 0.000 -2.396 3.275) 4.058 6.380 ( 0.000 2.396 3.275) 4.058 7.105 ( 0.000 -3.967 14.440) 14.975 7.105 ( 0.000 3.967 14.440) 14.975 7.291 ( 0.000 -0.303 11.962) 11.966 7.291 ( 0.000 0.303 11.962) 11.966 7.564 ( 0.000 -0.712 13.629) 13.648 7.564 ( 0.000 0.712 13.629) 13.648 7.724 ( 0.000 -2.664 9.891) 10.243 7.724 ( 0.000 2.664 9.891) 10.243 8.422 ( 0.000 -0.341 3.363) 3.380 8.422 ( 0.000 0.341 3.363) 3.380 8.643 ( 0.000 -1.896 0.819) 2.065 8.643 ( 0.000 1.896 0.819) 2.065 8.993 ( 0.000 -0.232 0.557) 0.603 8.993 ( 0.000 0.232 0.557) 0.603 9.060 ( 0.000 -1.181 0.611) 1.330 9.060 ( 0.000 1.181 0.611) 1.330 9.571 ( 0.000 -5.660 0.127) 5.662 9.571 ( 0.000 5.660 0.127) 5.662 9.660 ( 0.000 -5.122 -0.025) 5.122 9.660 ( 0.000 5.122 -0.025) 5.122 9.992 ( 0.000 -1.476 -0.366) 1.520 9.992 ( 0.000 1.476 -0.366) 1.520 10.149 ( 0.000 -0.447 -1.775) 1.831 10.149 ( 0.000 0.447 -1.775) 1.831 10.212 ( 0.000 -0.058 2.554) 2.554 10.212 ( 0.000 0.058 2.554) 2.554 10.412 ( 0.000 -0.530 0.130) 0.546 10.412 ( 0.000 0.530 0.130) 0.546 10.494 ( 0.000 -3.869 -2.413) 4.560 10.494 ( 0.000 3.869 -2.413) 4.560 10.618 ( 0.000 -0.218 3.000) 3.008 10.618 ( 0.000 0.218 3.000) 3.008 10.791 ( 0.000 -3.297 1.731) 3.724 10.791 ( 0.000 3.297 1.731) 3.724 10.903 ( 0.000 -3.091 -0.990) 3.246 10.903 ( 0.000 3.091 -0.990) 3.246 11.260 ( 0.000 -4.198 4.587) 6.218 11.260 ( 0.000 4.198 4.587) 6.218 11.305 ( 0.000 -1.354 3.649) 3.892 11.305 ( 0.000 1.354 3.649) 3.892 11.627 ( 0.000 -1.879 1.266) 2.265 11.627 ( 0.000 1.879 1.266) 2.265 11.706 ( 0.000 -1.719 6.163) 6.399 11.706 ( 0.000 1.719 6.163) 6.399 11.798 ( 0.000 -2.370 3.393) 4.138 11.798 ( 0.000 2.370 3.393) 4.138 11.979 ( 0.000 -0.534 5.325) 5.351 11.979 ( 0.000 0.534 5.325) 5.351 12.363 ( 0.000 -1.988 0.377) 2.023 12.363 ( 0.000 1.988 0.377) 2.023 12.548 ( 0.000 -7.539 0.651) 7.567 12.548 ( 0.000 7.539 0.651) 7.567 12.854 ( 0.000 -0.465 -0.967) 1.073 12.854 ( 0.000 0.465 -0.967) 1.073 13.074 ( 0.000 -2.192 0.332) 2.217 13.074 ( 0.000 2.192 0.332) 2.217 13.313 ( 0.000 -1.253 -2.661) 2.942 13.313 ( 0.000 1.253 -2.661) 2.942 13.555 ( 0.000 -10.844 -1.595) 10.961 13.555 ( 0.000 10.844 -1.595) 10.961 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 3.159 -7.994 6.447) 10.744 1.677 ( 3.159 7.994 6.447) 10.744 1.766 ( 0.959 -3.878 9.052) 9.894 1.766 ( 0.959 3.878 9.052) 9.894 1.989 ( 3.179 -14.731 7.432) 16.803 1.989 ( 3.179 14.731 7.432) 16.803 2.281 ( -8.165 -3.663 -2.185) 9.212 2.281 ( -8.165 3.663 -2.185) 9.212 2.650 ( 0.147 -6.369 -6.368) 9.008 2.650 ( 0.147 6.369 -6.368) 9.008 2.770 ( -2.963 -4.666 -2.079) 5.905 2.770 ( -2.963 4.666 -2.079) 5.905 2.983 ( 7.376 -0.384 -2.216) 7.711 2.983 ( 7.376 0.384 -2.216) 7.711 3.279 ( -7.218 -3.235 -3.128) 8.506 3.279 ( -7.218 3.235 -3.128) 8.506 3.623 ( 4.616 -2.330 -6.525) 8.326 3.623 ( 4.616 2.330 -6.525) 8.326 3.696 ( 0.483 -9.479 -6.108) 11.286 3.696 ( 0.483 9.479 -6.108) 11.286 3.892 ( -0.689 -3.809 -1.774) 4.258 3.892 ( -0.689 3.809 -1.774) 4.258 4.071 ( -9.433 -4.755 -6.870) 12.601 4.071 ( -9.433 4.755 -6.870) 12.601 4.407 ( 7.031 -3.602 -13.516) 15.656 4.407 ( 7.031 3.602 -13.516) 15.656 4.519 ( 0.185 -2.283 -14.389) 14.570 4.519 ( 0.185 2.283 -14.389) 14.570 4.910 ( 1.851 -3.744 -6.837) 8.012 4.910 ( 1.851 3.744 -6.837) 8.012 5.014 ( -1.820 -5.799 -3.310) 6.921 5.014 ( -1.820 5.799 -3.310) 6.921 5.163 ( 4.836 -15.645 -0.544) 16.384 5.163 ( 4.836 15.645 -0.544) 16.384 5.242 ( 1.517 -8.468 3.027) 9.120 5.242 ( 1.517 8.468 3.027) 9.120 5.341 ( 1.784 -13.478 -3.553) 14.052 5.341 ( 1.784 13.478 -3.553) 14.052 5.522 ( -3.822 -6.501 0.271) 7.546 5.522 ( -3.822 6.501 0.271) 7.546 5.762 ( 1.376 -6.357 -1.395) 6.652 5.762 ( 1.376 6.357 -1.395) 6.652 5.901 ( -5.405 -5.488 -3.322) 8.389 5.901 ( -5.405 5.488 -3.322) 8.389 6.156 ( 2.733 -1.569 0.253) 3.161 6.156 ( 2.733 1.569 0.253) 3.161 6.339 ( -4.540 -2.007 2.881) 5.739 6.339 ( -4.540 2.007 2.881) 5.739 7.131 ( 2.702 -3.664 14.190) 14.903 7.131 ( 2.702 3.664 14.190) 14.903 7.257 ( -3.290 -1.446 12.569) 13.072 7.257 ( -3.290 1.446 12.569) 13.072 7.593 ( 2.889 -0.556 12.780) 13.114 7.593 ( 2.889 0.556 12.780) 13.114 7.703 ( -2.180 -2.497 10.245) 10.768 7.703 ( -2.180 2.497 10.245) 10.768 8.455 ( 3.423 -0.238 2.800) 4.428 8.455 ( 3.423 0.238 2.800) 4.428 8.607 ( -3.659 -1.358 1.020) 4.033 8.607 ( -3.659 1.358 1.020) 4.033 9.016 ( 2.143 -1.723 0.440) 2.785 9.016 ( 2.143 1.723 0.440) 2.785 9.062 ( 0.042 -2.013 0.625) 2.109 9.062 ( 0.042 2.013 0.625) 2.109 9.580 ( 1.063 -5.508 0.278) 5.617 9.580 ( 1.063 5.508 0.278) 5.617 9.643 ( -1.714 -5.146 0.169) 5.426 9.643 ( -1.714 5.146 0.169) 5.426 10.000 ( 0.898 -1.675 -0.337) 1.930 10.000 ( 0.898 1.675 -0.337) 1.930 10.085 ( -4.090 -1.512 -0.204) 4.365 10.085 ( -4.090 1.512 -0.204) 4.365 10.279 ( 4.513 -1.268 0.344) 4.701 10.279 ( 4.513 1.268 0.344) 4.701 10.396 ( -1.793 -0.997 -0.111) 2.055 10.396 ( -1.793 0.997 -0.111) 2.055 10.515 ( 2.238 -2.860 -1.202) 3.825 10.515 ( 2.238 2.860 -1.202) 3.825 10.603 ( -1.641 -1.637 2.482) 3.396 10.603 ( -1.641 1.637 2.482) 3.396 10.807 ( 1.707 -3.322 1.190) 3.920 10.807 ( 1.707 3.322 1.190) 3.920 10.886 ( -1.838 -3.204 -0.667) 3.754 10.886 ( -1.838 3.204 -0.667) 3.754 11.268 ( 0.860 -4.202 4.517) 6.229 11.268 ( 0.860 4.202 4.517) 6.229 11.300 ( -0.547 -2.426 3.897) 4.622 11.300 ( -0.547 2.426 3.897) 4.622 11.645 ( 1.791 -2.051 1.887) 3.313 11.645 ( 1.791 2.051 1.887) 3.313 11.699 ( -0.705 -2.026 4.695) 5.162 11.699 ( -0.705 2.026 4.695) 5.162 11.836 ( 3.672 -1.487 4.280) 5.832 11.836 ( 3.672 1.487 4.280) 5.832 11.962 ( -1.929 -0.521 4.870) 5.264 11.962 ( -1.929 0.521 4.870) 5.264 12.396 ( 3.769 -2.428 -0.215) 4.488 12.396 ( 3.769 2.428 -0.215) 4.488 12.577 ( 0.822 -4.590 0.563) 4.697 12.577 ( 0.822 4.590 0.563) 4.697 12.784 ( -3.124 -2.708 -0.302) 4.145 12.784 ( -3.124 2.708 -0.302) 4.145 13.025 ( -6.736 -6.254 1.572) 9.324 13.025 ( -6.736 6.254 1.572) 9.324 13.365 ( 5.521 -7.379 -3.172) 9.746 13.365 ( 5.521 7.379 -3.172) 9.746 13.538 ( -2.213 -10.860 -1.956) 11.255 13.538 ( -2.213 10.860 -1.956) 11.255 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.813 -5.597 7.617) 9.862 1.742 ( 1.911 -5.500 7.617) 9.588 1.742 ( -1.911 5.500 7.617) 9.588 1.742 ( 2.813 5.597 7.617) 9.862 2.108 ( -9.410 -6.347 3.764) 11.959 2.108 ( 4.928 -4.922 3.764) 7.917 2.108 ( -4.928 4.922 3.764) 7.917 2.108 ( 9.410 6.347 3.764) 11.959 2.700 ( -4.478 -5.131 -6.138) 9.168 2.700 ( 4.149 -5.062 -6.138) 8.973 2.700 ( -4.149 5.062 -6.138) 8.973 2.700 ( 4.478 5.131 -6.138) 9.168 3.128 ( -7.381 -2.812 -1.434) 8.028 3.128 ( -5.988 -1.803 -1.434) 6.416 3.128 ( 5.988 1.803 -1.434) 6.416 3.128 ( 7.381 2.812 -1.434) 8.028 3.690 ( -2.268 -5.673 -7.683) 9.816 3.690 ( 2.257 -5.672 -7.683) 9.813 3.690 ( -2.257 5.672 -7.683) 9.813 3.690 ( 2.268 5.673 -7.683) 9.816 3.929 ( -5.043 -5.748 -3.050) 8.233 3.929 ( 2.176 -5.279 -3.050) 6.474 3.929 ( -2.176 5.279 -3.050) 6.474 3.929 ( 5.043 5.748 -3.050) 8.233 4.497 ( -2.423 -3.881 -15.241) 15.913 4.497 ( 1.006 -3.721 -15.241) 15.721 4.497 ( -1.006 3.721 -15.241) 15.721 4.497 ( 2.423 3.881 -15.241) 15.913 4.964 ( -2.877 -6.147 -4.259) 8.012 4.964 ( 1.841 -6.046 -4.259) 7.621 4.964 ( -1.841 6.046 -4.259) 7.621 4.964 ( 2.877 6.147 -4.259) 8.012 5.232 ( -2.482 -15.855 1.256) 16.098 5.232 ( 2.440 -15.854 1.256) 16.089 5.232 ( -2.440 15.854 1.256) 16.089 5.232 ( 2.482 15.855 1.256) 16.098 5.426 ( -6.361 -7.500 -1.279) 9.917 5.426 ( 6.023 -7.430 -1.279) 9.649 5.426 ( -6.023 7.430 -1.279) 9.649 5.426 ( 6.361 7.500 -1.279) 9.917 5.809 ( -3.625 -7.429 -2.398) 8.607 5.809 ( 2.803 -7.339 -2.398) 8.214 5.809 ( -2.803 7.339 -2.398) 8.214 5.809 ( 3.625 7.429 -2.398) 8.607 6.236 ( -4.408 -4.324 1.623) 6.385 6.236 ( -1.500 -3.795 1.623) 4.392 6.236 ( 1.500 3.795 1.623) 4.392 6.236 ( 4.408 4.324 1.623) 6.385 7.191 ( -3.770 -2.809 13.524) 14.317 7.191 ( 3.179 -2.620 13.524) 14.137 7.191 ( -3.179 2.620 13.524) 14.137 7.191 ( 3.770 2.809 13.524) 14.317 7.652 ( -2.687 -3.165 11.322) 12.059 7.652 ( 0.293 -2.870 11.322) 11.683 7.652 ( -0.293 2.870 11.322) 11.683 7.652 ( 2.687 3.165 11.322) 12.059 8.530 ( -4.562 -0.639 1.713) 4.915 8.530 ( -4.556 0.627 1.713) 4.907 8.530 ( 4.556 -0.627 1.713) 4.907 8.530 ( 4.562 0.639 1.713) 4.915 9.051 ( -1.217 -3.222 0.491) 3.479 9.051 ( 0.975 -3.201 0.491) 3.383 9.051 ( -0.975 3.201 0.491) 3.383 9.051 ( 1.217 3.222 0.491) 3.479 9.608 ( -1.568 -6.896 0.406) 7.083 9.608 ( 1.334 -6.883 0.406) 7.023 9.608 ( -1.334 6.883 0.406) 7.023 9.608 ( 1.568 6.896 0.406) 7.083 10.027 ( -2.299 -1.911 -0.208) 2.997 10.027 ( 2.076 -1.846 -0.208) 2.785 10.027 ( -2.076 1.846 -0.208) 2.785 10.027 ( 2.299 1.911 -0.208) 2.997 10.350 ( -2.995 -2.400 -0.396) 3.858 10.350 ( 0.334 -1.883 -0.396) 1.953 10.350 ( -0.334 1.883 -0.396) 1.953 10.350 ( 2.995 2.400 -0.396) 3.858 10.563 ( -2.386 -2.885 1.002) 3.876 10.563 ( 1.134 -2.687 1.002) 3.084 10.563 ( -1.134 2.687 1.002) 3.084 10.563 ( 2.386 2.885 1.002) 3.876 10.845 ( -1.740 -5.514 0.159) 5.784 10.845 ( 1.047 -5.470 0.159) 5.571 10.845 ( -1.047 5.470 0.159) 5.571 10.845 ( 1.740 5.514 0.159) 5.784 11.286 ( -0.778 -4.933 4.279) 6.576 11.286 ( 0.687 -4.929 4.279) 6.563 11.286 ( -0.687 4.929 4.279) 6.563 11.286 ( 0.778 4.933 4.279) 6.576 11.679 ( -1.542 -2.290 3.215) 4.238 11.679 ( 1.280 -2.249 3.215) 4.128 11.679 ( -1.280 2.249 3.215) 4.128 11.679 ( 1.542 2.290 3.215) 4.238 11.909 ( -2.158 -3.232 4.450) 5.908 11.909 ( -1.589 -3.148 4.450) 5.678 11.909 ( 1.589 3.148 4.450) 5.678 11.909 ( 2.158 3.232 4.450) 5.908 12.497 ( -7.027 -1.788 -0.662) 7.281 12.497 ( -6.721 1.464 -0.662) 6.910 12.497 ( 6.721 -1.464 -0.662) 6.910 12.497 ( 7.027 1.788 -0.662) 7.281 12.864 ( -9.478 -7.127 1.787) 11.993 12.864 ( 9.225 -7.043 1.787) 11.743 12.864 ( -9.224 7.043 1.787) 11.743 12.864 ( 9.478 7.127 1.787) 11.993 13.470 ( -5.155 -10.678 -2.696) 12.159 13.470 ( 4.891 -10.647 -2.696) 12.023 13.470 ( -4.891 10.647 -2.696) 12.023 13.470 ( 5.155 10.678 -2.696) 12.159 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 0.000 -0.794) 0.794 1.305 ( 0.000 0.000 4.934) 4.934 1.533 ( 0.000 0.000 19.596) 19.596 1.889 ( 0.000 0.000 -1.097) 1.097 2.130 ( 0.000 0.000 9.956) 9.956 2.140 ( 0.000 0.000 6.201) 6.201 2.346 ( 0.000 0.000 16.592) 16.592 2.350 ( 0.000 0.000 -7.654) 7.654 2.486 ( 0.000 0.000 -11.539) 11.539 2.498 ( 0.000 0.000 19.615) 19.615 2.504 ( 0.000 0.000 8.083) 8.083 2.781 ( 0.000 0.000 -11.069) 11.069 2.835 ( 0.000 0.000 -6.880) 6.880 2.937 ( 0.000 0.000 -3.844) 3.844 3.024 ( 0.000 0.000 -5.889) 5.889 3.063 ( 0.000 0.000 -13.816) 13.816 3.315 ( 0.000 0.000 -2.907) 2.907 3.365 ( 0.000 0.000 11.109) 11.109 3.390 ( 0.000 0.000 -1.965) 1.965 3.443 ( 0.000 0.000 -1.440) 1.440 3.597 ( 0.000 0.000 -6.008) 6.008 3.619 ( 0.000 0.000 -15.175) 15.175 3.669 ( 0.000 0.000 -15.358) 15.358 3.717 ( 0.000 0.000 -4.095) 4.095 3.931 ( 0.000 0.000 1.806) 1.806 4.148 ( 0.000 0.000 -9.529) 9.529 4.246 ( 0.000 0.000 -2.062) 2.062 4.411 ( 0.000 0.000 -7.695) 7.695 4.464 ( 0.000 0.000 5.869) 5.869 4.478 ( 0.000 0.000 1.364) 1.364 4.491 ( 0.000 0.000 -0.201) 0.201 4.713 ( 0.000 0.000 -3.810) 3.810 4.852 ( 0.000 0.000 -1.712) 1.712 4.882 ( 0.000 0.000 -2.448) 2.448 4.926 ( 0.000 0.000 -0.863) 0.863 5.155 ( 0.000 0.000 -8.063) 8.063 5.187 ( 0.000 0.000 -9.996) 9.996 5.224 ( 0.000 0.000 -9.699) 9.699 5.271 ( 0.000 0.000 -1.085) 1.085 5.510 ( 0.000 0.000 -7.961) 7.961 6.180 ( 0.000 0.000 -0.268) 0.268 6.229 ( 0.000 0.000 1.921) 1.921 6.236 ( 0.000 0.000 0.033) 0.033 6.265 ( 0.000 0.000 -2.985) 2.985 6.700 ( 0.000 0.000 4.508) 4.508 6.709 ( 0.000 0.000 6.050) 6.050 7.039 ( 0.000 0.000 4.006) 4.006 7.150 ( 0.000 0.000 -0.422) 0.422 7.316 ( 0.000 0.000 13.616) 13.616 7.468 ( 0.000 0.000 5.984) 5.984 7.486 ( 0.000 0.000 8.087) 8.087 7.541 ( 0.000 0.000 5.093) 5.093 7.704 ( 0.000 0.000 7.285) 7.285 7.742 ( 0.000 0.000 5.961) 5.961 7.863 ( 0.000 0.000 6.849) 6.849 7.946 ( 0.000 0.000 2.844) 2.844 8.507 ( 0.000 0.000 3.550) 3.550 8.628 ( 0.000 0.000 5.518) 5.518 8.632 ( 0.000 0.000 -0.888) 0.888 8.785 ( 0.000 0.000 -0.539) 0.539 8.915 ( 0.000 0.000 1.721) 1.721 8.968 ( 0.000 0.000 -1.165) 1.165 9.137 ( 0.000 0.000 0.916) 0.916 9.148 ( 0.000 0.000 -0.011) 0.011 9.406 ( 0.000 0.000 1.043) 1.043 9.418 ( 0.000 0.000 0.549) 0.549 9.921 ( 0.000 0.000 -0.340) 0.340 9.976 ( 0.000 0.000 -2.505) 2.505 10.074 ( 0.000 0.000 -0.819) 0.819 10.076 ( 0.000 0.000 -0.791) 0.791 10.159 ( 0.000 0.000 -0.667) 0.667 10.173 ( 0.000 0.000 -0.378) 0.378 10.214 ( 0.000 0.000 4.744) 4.744 10.364 ( 0.000 0.000 -1.642) 1.642 10.465 ( 0.000 0.000 -1.269) 1.269 10.474 ( 0.000 0.000 -1.048) 1.048 10.631 ( 0.000 0.000 9.134) 9.134 10.685 ( 0.000 0.000 -0.950) 0.950 10.687 ( 0.000 0.000 -0.774) 0.774 10.787 ( 0.000 0.000 7.283) 7.283 10.801 ( 0.000 0.000 0.594) 0.594 10.814 ( 0.000 0.000 -0.088) 0.088 10.834 ( 0.000 0.000 -1.726) 1.726 10.925 ( 0.000 0.000 -0.881) 0.881 10.962 ( 0.000 0.000 2.340) 2.340 11.041 ( 0.000 0.000 -0.868) 0.868 11.051 ( 0.000 0.000 -1.700) 1.700 11.193 ( 0.000 0.000 -6.315) 6.315 11.429 ( 0.000 0.000 3.378) 3.378 11.554 ( 0.000 0.000 -2.519) 2.519 11.720 ( 0.000 0.000 4.911) 4.911 11.735 ( 0.000 0.000 3.474) 3.474 11.776 ( 0.000 0.000 2.142) 2.142 11.897 ( 0.000 0.000 -3.605) 3.605 12.191 ( 0.000 0.000 7.337) 7.337 12.329 ( 0.000 0.000 7.074) 7.074 12.349 ( 0.000 0.000 -0.116) 0.116 12.408 ( 0.000 0.000 1.480) 1.480 12.533 ( 0.000 0.000 0.779) 0.779 12.537 ( 0.000 0.000 1.727) 1.727 12.567 ( 0.000 0.000 0.661) 0.661 12.654 ( 0.000 0.000 -5.519) 5.519 13.074 ( 0.000 0.000 5.689) 5.689 13.113 ( 0.000 0.000 3.727) 3.727 13.131 ( 0.000 0.000 2.943) 2.943 13.356 ( 0.000 0.000 -8.819) 8.819 13.886 ( 0.000 0.000 8.356) 8.356 14.155 ( 0.000 0.000 -4.830) 4.830 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 1.000 0.000 2.082) 2.310 1.321 ( 1.016 0.000 1.308) 1.656 1.623 ( 8.961 0.000 18.374) 20.443 1.890 ( -1.139 0.000 3.532) 3.712 2.120 ( -0.730 0.000 9.452) 9.480 2.131 ( -0.932 0.000 6.899) 6.962 2.310 ( -2.807 0.000 15.864) 16.111 2.367 ( 1.811 0.000 -7.651) 7.862 2.388 ( -5.749 0.000 11.648) 12.990 2.461 ( -2.481 0.000 -10.002) 10.306 2.632 ( 7.915 0.000 9.770) 12.573 2.781 ( -0.959 0.000 -8.111) 8.167 2.877 ( 4.170 0.000 -8.851) 9.785 2.928 ( -0.098 0.000 -6.385) 6.386 2.990 ( -3.548 0.000 -4.222) 5.515 3.036 ( -3.008 0.000 -13.394) 13.727 3.294 ( 1.180 0.000 1.840) 2.186 3.382 ( -0.088 0.000 -2.072) 2.074 3.433 ( -1.323 0.000 -1.843) 2.269 3.459 ( 1.864 0.000 4.683) 5.040 3.546 ( 0.735 0.000 -6.570) 6.611 3.645 ( 4.388 0.000 -5.896) 7.350 3.715 ( 4.668 0.000 -14.651) 15.376 3.808 ( 4.730 0.000 -4.693) 6.663 3.892 ( -3.267 0.000 2.221) 3.951 4.065 ( -7.659 0.000 -7.736) 10.886 4.164 ( -7.365 0.000 -2.417) 7.752 4.331 ( -7.198 0.000 -5.767) 9.224 4.467 ( 0.640 0.000 -2.316) 2.403 4.507 ( -0.406 0.000 -2.840) 2.869 4.548 ( 7.535 0.000 2.761) 8.025 4.729 ( 1.653 0.000 -3.505) 3.875 4.807 ( -4.738 0.000 -1.238) 4.897 4.849 ( -3.358 0.000 -2.514) 4.195 4.902 ( -0.656 0.000 -2.733) 2.811 5.053 ( -7.762 0.000 -7.597) 10.861 5.198 ( 2.220 0.000 -5.395) 5.834 5.255 ( -1.138 0.000 -0.188) 1.153 5.350 ( 7.359 0.000 -12.314) 14.345 5.510 ( -0.711 0.000 -10.024) 10.049 6.187 ( 1.065 0.000 1.133) 1.555 6.221 ( 0.204 0.000 3.003) 3.010 6.273 ( 1.989 0.000 -1.178) 2.312 6.283 ( 1.542 0.000 -2.461) 2.904 6.747 ( 4.688 0.000 4.953) 6.820 6.764 ( 5.478 0.000 5.788) 7.970 7.006 ( -3.190 0.000 3.721) 4.901 7.099 ( -5.424 0.000 0.454) 5.443 7.326 ( 1.292 0.000 12.419) 12.486 7.426 ( -3.715 0.000 7.398) 8.278 7.497 ( 1.291 0.000 7.923) 8.028 7.545 ( 0.028 0.000 5.162) 5.162 7.699 ( -0.358 0.000 7.236) 7.245 7.720 ( -1.868 0.000 6.885) 7.134 7.909 ( 3.834 0.000 6.623) 7.653 7.962 ( 1.256 0.000 3.815) 4.016 8.505 ( 0.439 0.000 2.160) 2.204 8.597 ( -1.980 0.000 4.279) 4.715 8.605 ( -2.961 0.000 -1.197) 3.194 8.698 ( -6.698 0.000 -0.349) 6.707 8.956 ( 1.943 0.000 2.216) 2.947 8.974 ( 0.569 0.000 0.487) 0.749 9.142 ( 0.943 0.000 -0.305) 0.992 9.166 ( 0.917 0.000 -0.640) 1.118 9.408 ( 0.180 0.000 0.906) 0.923 9.416 ( -0.211 0.000 0.558) 0.597 9.953 ( 3.337 0.000 0.503) 3.374 10.022 ( 4.536 0.000 -2.297) 5.084 10.073 ( 0.203 0.000 -0.509) 0.548 10.081 ( 0.185 0.000 -0.803) 0.824 10.113 ( -4.425 0.000 1.463) 4.660 10.155 ( -0.900 0.000 -1.564) 1.805 10.255 ( 2.856 0.000 2.532) 3.817 10.349 ( -1.657 0.000 -1.194) 2.042 10.466 ( 0.147 0.000 -1.280) 1.289 10.473 ( -0.112 0.000 -1.141) 1.146 10.638 ( 0.811 0.000 9.074) 9.110 10.684 ( -0.138 0.000 -0.884) 0.894 10.685 ( -0.199 0.000 -0.737) 0.764 10.723 ( -4.447 0.000 6.458) 7.841 10.805 ( 0.426 0.000 0.498) 0.655 10.814 ( 0.013 0.000 0.019) 0.023 10.863 ( 1.528 0.000 -0.677) 1.671 10.901 ( -1.206 0.000 0.154) 1.215 10.995 ( 2.006 0.000 2.087) 2.895 11.033 ( -0.277 0.000 0.669) 0.725 11.104 ( 4.191 0.000 -3.758) 5.630 11.190 ( -0.551 0.000 -6.015) 6.040 11.441 ( 1.354 0.000 3.028) 3.317 11.524 ( -2.686 0.000 -0.312) 2.704 11.745 ( 1.205 0.000 3.851) 4.035 11.759 ( 3.635 0.000 2.382) 4.346 11.780 ( 0.196 0.000 2.795) 2.801 11.879 ( -2.018 0.000 -2.813) 3.462 12.174 ( -1.284 0.000 7.120) 7.235 12.250 ( -5.491 0.000 5.756) 7.955 12.345 ( -0.407 0.000 -0.452) 0.608 12.384 ( -3.132 0.000 0.616) 3.192 12.536 ( 0.064 0.000 1.546) 1.548 12.559 ( -0.861 0.000 0.775) 1.158 12.581 ( 5.170 0.000 1.213) 5.310 12.691 ( 1.384 0.000 -3.007) 3.311 13.085 ( 1.078 0.000 5.262) 5.371 13.125 ( -0.655 0.000 3.312) 3.376 13.139 ( 3.762 0.000 2.161) 4.339 13.341 ( -2.753 0.000 -7.653) 8.133 13.920 ( 4.112 0.000 5.514) 6.878 14.118 ( -4.029 0.000 -3.933) 5.630 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.456 0.000 1.318) 1.395 1.328 ( 0.456 0.000 1.318) 1.395 1.798 ( -9.009 0.000 13.987) 16.637 1.798 ( 9.009 0.000 13.987) 16.637 2.116 ( -0.415 0.000 8.281) 8.292 2.116 ( 0.415 0.000 8.281) 8.292 2.307 ( -2.946 0.000 11.175) 11.556 2.307 ( 2.946 0.000 11.175) 11.556 2.410 ( -2.905 0.000 -8.186) 8.686 2.410 ( 2.905 0.000 -8.186) 8.686 2.744 ( -3.665 0.000 -0.659) 3.723 2.744 ( 3.665 0.000 -0.659) 3.723 2.937 ( -1.745 0.000 -5.252) 5.535 2.937 ( 1.745 0.000 -5.252) 5.535 2.963 ( -4.882 0.000 -11.769) 12.742 2.963 ( 4.882 0.000 -11.769) 12.742 3.364 ( -6.223 0.000 0.282) 6.230 3.364 ( 6.223 0.000 0.282) 6.230 3.400 ( -1.897 0.000 -2.145) 2.863 3.400 ( 1.897 0.000 -2.145) 2.863 3.725 ( -12.336 0.000 3.438) 12.806 3.725 ( 12.336 0.000 3.438) 12.806 3.731 ( -4.205 0.000 -7.477) 8.578 3.731 ( 4.205 0.000 -7.477) 8.578 3.920 ( -7.317 0.000 -4.763) 8.731 3.920 ( 7.317 0.000 -4.763) 8.731 4.175 ( -8.504 0.000 -8.188) 11.805 4.175 ( 8.504 0.000 -8.188) 11.805 4.489 ( -1.487 0.000 -3.266) 3.588 4.489 ( 1.487 0.000 -3.266) 3.588 4.687 ( -7.368 0.000 -0.119) 7.368 4.687 ( 7.368 0.000 -0.119) 7.368 4.783 ( -3.391 0.000 -2.673) 4.318 4.783 ( 3.391 0.000 -2.673) 4.318 4.937 ( -4.610 0.000 -5.349) 7.061 4.937 ( 4.610 0.000 -5.349) 7.061 5.229 ( -1.525 0.000 -1.967) 2.489 5.229 ( 1.525 0.000 -1.967) 2.489 5.462 ( -4.749 0.000 -12.227) 13.117 5.462 ( 4.749 0.000 -12.227) 13.117 6.214 ( -1.296 0.000 2.854) 3.134 6.214 ( 1.296 0.000 2.854) 3.134 6.296 ( -0.402 0.000 -1.789) 1.834 6.296 ( 0.402 0.000 -1.789) 1.834 6.826 ( -1.843 0.000 5.852) 6.135 6.826 ( 1.843 0.000 5.852) 6.135 6.991 ( -4.328 0.000 1.988) 4.763 6.991 ( 4.328 0.000 1.988) 4.763 7.364 ( -2.932 0.000 9.927) 10.351 7.364 ( 2.932 0.000 9.927) 10.351 7.528 ( -1.794 0.000 6.649) 6.887 7.528 ( 1.794 0.000 6.649) 6.887 7.698 ( -0.436 0.000 7.324) 7.337 7.698 ( 0.436 0.000 7.324) 7.337 7.963 ( -1.645 0.000 5.834) 6.062 7.963 ( 1.645 0.000 5.834) 6.062 8.541 ( -3.451 0.000 -0.521) 3.491 8.541 ( 3.451 0.000 -0.521) 3.491 8.603 ( -3.104 0.000 1.426) 3.416 8.603 ( 3.104 0.000 1.426) 3.416 8.975 ( -0.555 0.000 2.329) 2.394 8.975 ( 0.555 0.000 2.329) 2.394 9.164 ( -1.071 0.000 -1.310) 1.692 9.164 ( 1.071 0.000 -1.310) 1.692 9.412 ( -0.272 0.000 0.674) 0.727 9.412 ( 0.272 0.000 0.674) 0.727 10.026 ( -4.493 0.000 1.790) 4.836 10.026 ( 4.493 0.000 1.790) 4.836 10.079 ( -0.343 0.000 -0.513) 0.617 10.079 ( 0.343 0.000 -0.513) 0.617 10.112 ( -3.970 0.000 -2.428) 4.654 10.112 ( 3.970 0.000 -2.428) 4.654 10.307 ( -2.845 0.000 0.437) 2.878 10.307 ( 2.845 0.000 0.437) 2.878 10.470 ( -0.203 0.000 -1.264) 1.280 10.470 ( 0.203 0.000 -1.264) 1.280 10.663 ( -2.183 0.000 8.200) 8.485 10.663 ( 2.183 0.000 8.200) 8.485 10.682 ( -0.026 0.000 -0.761) 0.762 10.682 ( 0.026 0.000 -0.761) 0.762 10.812 ( -0.291 0.000 0.267) 0.394 10.812 ( 0.291 0.000 0.267) 0.394 10.884 ( -0.964 0.000 -0.596) 1.133 10.884 ( 0.964 0.000 -0.596) 1.133 11.023 ( -1.057 0.000 2.055) 2.311 11.023 ( 1.057 0.000 2.055) 2.311 11.166 ( -2.372 0.000 -5.250) 5.761 11.166 ( 2.372 0.000 -5.250) 5.761 11.476 ( -2.457 0.000 1.891) 3.100 11.476 ( 2.457 0.000 1.891) 3.100 11.771 ( -1.282 0.000 3.861) 4.069 11.771 ( 1.282 0.000 3.861) 4.069 11.828 ( -3.614 0.000 -0.688) 3.679 11.828 ( 3.614 0.000 -0.688) 3.679 12.177 ( -2.217 0.000 6.222) 6.606 12.177 ( 2.217 0.000 6.222) 6.606 12.346 ( -0.939 0.000 -0.449) 1.041 12.346 ( 0.939 0.000 -0.449) 1.041 12.543 ( -0.708 0.000 1.130) 1.334 12.543 ( 0.708 0.000 1.130) 1.334 12.667 ( -3.711 0.000 0.142) 3.714 12.667 ( 3.711 0.000 0.142) 3.714 13.107 ( -1.261 0.000 4.256) 4.438 13.107 ( 1.261 0.000 4.256) 4.438 13.246 ( -7.020 0.000 -2.901) 7.596 13.246 ( 7.020 0.000 -2.901) 7.596 14.021 ( -6.337 0.000 -0.435) 6.352 14.021 ( 6.337 0.000 -0.435) 6.352 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 10.510 3.958) 11.231 1.495 ( 0.000 11.406 4.107) 12.122 1.677 ( 0.000 13.291 12.472) 18.227 1.866 ( 0.000 1.658 4.138) 4.458 2.071 ( 0.000 -1.742 9.156) 9.320 2.113 ( 0.000 -0.279 4.822) 4.830 2.271 ( 0.000 -5.136 -1.061) 5.244 2.351 ( 0.000 -4.222 0.353) 4.237 2.460 ( 0.000 -1.107 -7.676) 7.755 2.596 ( 0.000 -2.286 1.815) 2.919 2.608 ( 0.000 9.752 17.154) 19.732 2.769 ( 0.000 6.265 1.783) 6.514 2.889 ( 0.000 3.108 -7.538) 8.154 3.021 ( 0.000 4.664 -1.839) 5.014 3.042 ( 0.000 -0.123 -7.147) 7.148 3.137 ( 0.000 3.619 -3.781) 5.234 3.273 ( 0.000 1.672 -3.016) 3.448 3.336 ( 0.000 6.830 -3.924) 7.877 3.483 ( 0.000 3.833 -4.092) 5.607 3.593 ( 0.000 -1.038 -12.699) 12.741 3.606 ( 0.000 7.770 -3.914) 8.700 3.693 ( 0.000 6.410 -8.855) 10.932 3.809 ( 0.000 11.145 -0.299) 11.149 3.860 ( 0.000 13.233 -7.223) 15.076 3.997 ( 0.000 5.013 -0.814) 5.078 4.120 ( 0.000 -9.826 0.406) 9.834 4.138 ( 0.000 -0.831 -8.487) 8.528 4.331 ( 0.000 -8.749 -6.202) 10.724 4.422 ( 0.000 5.733 0.317) 5.742 4.563 ( 0.000 7.943 -4.921) 9.343 4.686 ( 0.000 10.496 4.239) 11.320 4.789 ( 0.000 7.415 -1.908) 7.656 4.866 ( 0.000 1.912 -2.544) 3.182 4.870 ( 0.000 -0.199 -2.722) 2.730 4.947 ( 0.000 2.150 -1.228) 2.476 5.148 ( 0.000 -2.509 -7.995) 8.380 5.220 ( 0.000 -1.526 -9.886) 10.003 5.232 ( 0.000 3.952 -9.017) 9.845 5.322 ( 0.000 6.051 0.784) 6.101 5.512 ( 0.000 1.620 -5.867) 6.087 6.091 ( 0.000 -7.935 0.690) 7.965 6.132 ( 0.000 -9.385 1.402) 9.489 6.149 ( 0.000 -7.577 0.113) 7.578 6.188 ( 0.000 -5.967 -1.447) 6.140 6.580 ( 0.000 -10.391 3.138) 10.854 6.601 ( 0.000 -9.677 4.155) 10.531 6.921 ( 0.000 -10.542 3.938) 11.253 7.021 ( 0.000 -11.663 0.097) 11.664 7.310 ( 0.000 -0.072 12.680) 12.681 7.455 ( 0.000 -0.685 5.459) 5.502 7.482 ( 0.000 -0.363 7.480) 7.488 7.513 ( 0.000 -2.451 5.869) 6.360 7.737 ( 0.000 2.534 8.358) 8.734 7.772 ( 0.000 2.101 6.772) 7.091 7.858 ( 0.000 -0.436 6.610) 6.624 7.943 ( 0.000 -0.442 2.997) 3.029 8.496 ( 0.000 -0.848 3.416) 3.520 8.588 ( 0.000 -2.527 3.045) 3.957 8.633 ( 0.000 -0.633 1.514) 1.641 8.761 ( 0.000 -2.160 -0.871) 2.329 8.936 ( 0.000 1.784 1.257) 2.182 8.968 ( 0.000 0.136 -0.688) 0.701 9.116 ( 0.000 -1.739 0.900) 1.959 9.138 ( 0.000 -0.925 -0.047) 0.926 9.420 ( 0.000 1.406 0.920) 1.680 9.440 ( 0.000 2.043 0.083) 2.045 9.894 ( 0.000 -2.896 -1.592) 3.305 9.902 ( 0.000 -5.507 -2.010) 5.862 10.035 ( 0.000 -2.855 0.724) 2.946 10.107 ( 0.000 1.417 -1.635) 2.163 10.177 ( 0.000 1.444 0.291) 1.473 10.186 ( 0.000 1.092 -0.349) 1.146 10.194 ( 0.000 -1.619 3.256) 3.637 10.287 ( 0.000 -7.019 -0.945) 7.082 10.423 ( 0.000 -2.669 -1.498) 3.061 10.457 ( 0.000 -4.385 -1.421) 4.610 10.500 ( 0.000 -4.394 4.001) 5.943 10.539 ( 0.000 -1.713 0.556) 1.801 10.729 ( 0.000 -2.103 2.768) 3.476 10.741 ( 0.000 -4.064 1.176) 4.230 10.798 ( 0.000 2.022 3.152) 3.745 10.826 ( 0.000 -1.320 1.763) 2.203 10.971 ( 0.000 6.519 1.333) 6.654 11.016 ( 0.000 2.921 2.202) 3.658 11.032 ( 0.000 -0.933 -1.293) 1.594 11.091 ( 0.000 8.778 0.550) 8.796 11.144 ( 0.000 8.072 -3.386) 8.753 11.194 ( 0.000 5.369 -2.130) 5.776 11.506 ( 0.000 4.660 1.703) 4.961 11.579 ( 0.000 1.804 -1.713) 2.487 11.736 ( 0.000 1.287 3.281) 3.525 11.770 ( 0.000 -0.228 3.794) 3.801 11.774 ( 0.000 3.127 4.620) 5.578 11.925 ( 0.000 1.926 -3.655) 4.131 12.178 ( 0.000 -1.373 6.014) 6.168 12.268 ( 0.000 -6.070 1.406) 6.231 12.316 ( 0.000 -0.664 7.912) 7.939 12.394 ( 0.000 0.182 2.293) 2.300 12.456 ( 0.000 -2.473 1.294) 2.791 12.600 ( 0.000 2.556 -3.305) 4.177 12.671 ( 0.000 5.304 -0.493) 5.327 12.709 ( 0.000 5.480 -4.101) 6.845 13.035 ( 0.000 -5.452 2.848) 6.151 13.086 ( 0.000 0.726 4.758) 4.814 13.198 ( 0.000 4.601 1.838) 4.955 13.314 ( 0.000 -3.266 -7.830) 8.484 13.793 ( 0.000 -8.070 8.161) 11.477 14.048 ( 0.000 -9.335 -4.329) 10.290 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.303 11.273 2.399) 11.754 1.501 ( 0.707 11.976 3.457) 12.485 1.729 ( 5.395 10.319 14.149) 18.324 1.881 ( 0.584 2.359 6.646) 7.076 2.052 ( -1.400 -2.329 7.822) 8.280 2.087 ( -2.402 -1.162 4.452) 5.190 2.290 ( 1.773 -3.478 0.731) 3.971 2.390 ( 2.019 -3.240 -2.116) 4.365 2.419 ( -2.610 0.342 -0.471) 2.674 2.523 ( -4.105 3.930 2.342) 6.147 2.648 ( 1.880 1.390 7.862) 8.202 2.753 ( -2.000 2.555 0.982) 3.390 2.903 ( 1.640 3.382 -9.274) 10.007 2.973 ( -3.049 0.875 -6.676) 7.391 3.079 ( 2.582 6.301 -0.916) 6.871 3.185 ( 3.768 9.551 -5.716) 11.752 3.232 ( -2.504 0.526 -1.073) 2.774 3.373 ( -0.612 3.196 -3.921) 5.095 3.456 ( 2.100 -0.052 -3.262) 3.880 3.587 ( -0.305 6.774 -3.581) 7.668 3.644 ( 2.437 7.889 -6.051) 10.237 3.739 ( 3.526 3.758 -10.702) 11.878 3.783 ( -3.932 3.082 1.435) 5.198 3.897 ( 3.993 12.871 -5.548) 14.574 3.967 ( -4.525 -0.989 -1.868) 4.995 3.995 ( -3.553 2.320 -6.408) 7.686 4.175 ( -2.047 0.450 -6.490) 6.820 4.280 ( -4.646 -5.899 -6.428) 9.885 4.472 ( 3.172 2.930 0.118) 4.319 4.556 ( 0.013 10.892 -0.940) 10.933 4.665 ( -0.472 4.564 -0.263) 4.596 4.773 ( -5.010 2.106 -3.652) 6.548 4.809 ( 0.461 4.807 -0.936) 4.919 4.871 ( -1.259 3.945 -2.290) 4.732 4.956 ( 0.789 3.139 -2.724) 4.230 5.090 ( -5.572 1.152 -5.764) 8.099 5.240 ( 2.708 3.381 -7.055) 8.279 5.302 ( 0.866 3.051 -0.938) 3.308 5.334 ( 4.635 0.859 -9.804) 10.879 5.500 ( -1.664 0.235 -7.953) 8.129 6.097 ( 0.813 -8.071 1.520) 8.253 6.128 ( 0.051 -8.684 3.348) 9.307 6.173 ( 1.962 -8.480 -0.748) 8.736 6.205 ( 0.962 -6.729 -1.643) 6.993 6.626 ( 4.704 -10.632 3.566) 12.161 6.647 ( 4.813 -10.395 4.284) 12.230 6.885 ( -3.661 -10.715 3.523) 11.859 6.965 ( -5.845 -11.917 0.842) 13.300 7.323 ( 1.540 0.105 11.717) 11.818 7.420 ( -3.122 -0.115 7.153) 7.805 7.491 ( 0.741 -0.656 7.155) 7.223 7.516 ( 0.091 -2.548 5.783) 6.320 7.736 ( -0.221 2.767 7.731) 8.215 7.754 ( -1.540 2.421 7.314) 7.857 7.894 ( 3.282 -1.276 6.577) 7.460 7.952 ( 0.591 -0.995 3.981) 4.146 8.502 ( 0.978 -0.300 2.163) 2.393 8.575 ( -0.828 -1.564 2.255) 2.866 8.602 ( -2.872 -0.455 0.901) 3.044 8.685 ( -6.072 -1.111 -0.475) 6.191 8.969 ( 1.256 0.920 1.577) 2.215 8.977 ( 1.337 0.630 0.775) 1.669 9.125 ( 1.094 -1.431 -0.061) 1.803 9.151 ( 0.770 -1.268 -0.653) 1.621 9.425 ( 0.406 1.586 0.788) 1.817 9.438 ( -0.269 1.988 0.228) 2.019 9.913 ( 2.034 -4.178 -1.236) 4.808 9.927 ( 2.324 -6.305 -1.926) 6.990 10.037 ( -0.076 -2.852 0.534) 2.903 10.072 ( -2.929 -0.556 0.303) 2.997 10.179 ( 0.260 2.026 -0.219) 2.054 10.187 ( 0.212 2.764 -0.354) 2.794 10.222 ( 1.981 -1.569 2.002) 3.224 10.277 ( -1.093 -6.188 -0.169) 6.286 10.428 ( 0.657 -2.477 -1.867) 3.171 10.455 ( -0.337 -3.943 -1.550) 4.250 10.498 ( 0.021 -4.806 3.687) 6.057 10.532 ( -0.919 -2.328 0.776) 2.620 10.699 ( -1.162 -1.760 2.558) 3.315 10.740 ( -1.770 -2.784 0.806) 3.396 10.800 ( 0.996 1.048 3.945) 4.201 10.831 ( -0.011 -0.186 2.275) 2.282 10.994 ( 1.584 2.584 -1.200) 3.259 11.013 ( -0.229 1.976 -0.080) 1.991 11.044 ( 1.519 3.272 1.921) 4.087 11.096 ( 0.047 7.866 1.174) 7.953 11.162 ( 1.678 6.681 -2.795) 7.434 11.198 ( 0.309 6.735 -2.127) 7.070 11.516 ( 1.116 4.568 1.476) 4.929 11.569 ( -1.113 3.073 -0.648) 3.332 11.738 ( 0.857 -0.545 2.681) 2.867 11.767 ( -0.106 1.097 3.661) 3.824 11.812 ( 2.868 2.431 3.817) 5.357 11.906 ( -1.939 1.919 -2.225) 3.520 12.166 ( -0.738 -1.124 6.438) 6.577 12.246 ( -4.801 -1.025 6.628) 8.248 12.296 ( 2.597 -2.854 0.088) 3.859 12.399 ( -1.189 1.604 1.069) 2.264 12.490 ( 2.422 -1.471 1.388) 3.155 12.544 ( -3.145 -0.001 -0.344) 3.164 12.686 ( -0.559 5.515 -1.156) 5.662 12.724 ( 1.329 2.965 -2.702) 4.226 13.037 ( 1.904 -5.074 3.067) 6.227 13.106 ( 1.337 -0.262 2.372) 2.736 13.195 ( 0.089 4.160 2.568) 4.890 13.303 ( -2.351 -2.810 -6.337) 7.320 13.825 ( 3.920 -8.269 5.364) 10.608 14.014 ( -3.783 -9.113 -3.540) 10.483 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -0.519 12.316 2.008) 12.489 1.507 ( 0.519 12.316 2.008) 12.489 1.838 ( -5.495 5.198 13.534) 15.505 1.838 ( 5.495 5.198 13.534) 15.505 2.049 ( -1.265 -2.086 4.913) 5.485 2.049 ( 1.265 -2.086 4.913) 5.485 2.335 ( -3.417 -1.731 1.117) 3.990 2.335 ( 3.417 -1.731 1.117) 3.990 2.463 ( -3.110 2.268 -1.114) 4.007 2.463 ( 3.110 2.268 -1.114) 4.007 2.696 ( -3.568 -0.709 2.242) 4.273 2.696 ( 3.568 -0.709 2.242) 4.273 2.935 ( -1.640 2.369 -9.602) 10.025 2.935 ( 1.640 2.369 -9.602) 10.025 3.142 ( -4.421 9.083 -0.770) 10.131 3.142 ( 4.421 9.083 -0.770) 10.131 3.297 ( -5.578 2.171 -3.943) 7.168 3.297 ( 5.578 2.171 -3.943) 7.168 3.565 ( -5.309 2.676 -0.111) 5.946 3.565 ( 5.309 2.676 -0.111) 5.946 3.669 ( -3.329 3.124 -1.867) 4.932 3.669 ( 3.329 3.124 -1.867) 4.932 3.836 ( -5.971 4.272 -5.968) 9.462 3.836 ( 5.971 4.272 -5.968) 9.462 3.988 ( -1.083 5.085 -7.356) 9.008 3.988 ( 1.083 5.085 -7.356) 9.008 4.170 ( -4.845 1.451 -6.857) 8.521 4.170 ( 4.845 1.451 -6.857) 8.521 4.531 ( -3.151 5.171 0.722) 6.098 4.531 ( 3.151 5.171 0.722) 6.098 4.696 ( -3.276 2.000 -3.556) 5.233 4.696 ( 3.276 2.000 -3.556) 5.233 4.838 ( -2.157 5.862 -1.071) 6.338 4.838 ( 2.157 5.862 -1.071) 6.338 4.995 ( -4.122 3.143 -4.797) 7.063 4.995 ( 4.122 3.143 -4.797) 7.063 5.279 ( -1.884 4.857 -2.483) 5.771 5.279 ( 1.884 4.857 -2.483) 5.771 5.440 ( -5.166 -1.423 -10.784) 12.042 5.440 ( 5.166 -1.423 -10.784) 12.042 6.120 ( -1.198 -8.582 3.435) 9.322 6.120 ( 1.198 -8.582 3.435) 9.322 6.204 ( -1.102 -7.981 -1.397) 8.177 6.204 ( 1.102 -7.981 -1.397) 8.177 6.708 ( -1.796 -10.552 4.711) 11.695 6.708 ( 1.796 -10.552 4.711) 11.695 6.854 ( -3.731 -11.907 1.807) 12.608 6.854 ( 3.731 -11.907 1.807) 12.608 7.363 ( -2.896 0.260 9.570) 10.003 7.363 ( 2.896 0.260 9.570) 10.003 7.508 ( -0.952 -1.764 6.487) 6.789 7.508 ( 0.952 -1.764 6.487) 6.789 7.735 ( -0.387 2.747 7.554) 8.047 7.735 ( 0.387 2.747 7.554) 8.047 7.944 ( -1.792 -1.650 5.767) 6.261 7.944 ( 1.792 -1.650 5.767) 6.261 8.540 ( -3.122 -0.054 0.010) 3.122 8.540 ( 3.122 -0.054 0.010) 3.122 8.596 ( -3.180 -0.635 1.189) 3.454 8.596 ( 3.180 -0.635 1.189) 3.454 8.984 ( -0.590 0.873 2.065) 2.319 8.984 ( 0.590 0.873 2.065) 2.319 9.148 ( -1.064 -1.327 -1.115) 2.033 9.148 ( 1.064 -1.327 -1.115) 2.033 9.432 ( -0.365 1.856 0.499) 1.956 9.432 ( 0.365 1.856 0.499) 1.956 9.950 ( -0.925 -6.690 -1.403) 6.898 9.950 ( 0.925 -6.690 -1.403) 6.898 10.033 ( -0.664 -1.654 0.843) 1.971 10.033 ( 0.664 -1.654 0.843) 1.971 10.187 ( -0.335 3.035 -0.733) 3.140 10.187 ( 0.335 3.035 -0.733) 3.140 10.252 ( -1.536 -3.651 1.399) 4.201 10.252 ( 1.536 -3.651 1.399) 4.201 10.444 ( -0.884 -2.693 -1.968) 3.450 10.444 ( 0.884 -2.693 -1.968) 3.450 10.509 ( -1.230 -4.213 2.234) 4.925 10.509 ( 1.230 -4.213 2.234) 4.925 10.704 ( -1.563 -1.520 1.811) 2.834 10.704 ( 1.563 -1.520 1.811) 2.834 10.821 ( -1.015 0.274 3.189) 3.358 10.821 ( 1.015 0.274 3.189) 3.358 11.009 ( -0.297 0.991 -1.974) 2.229 11.009 ( 0.297 0.991 -1.974) 2.229 11.080 ( -1.833 5.762 2.438) 6.519 11.080 ( 1.833 5.762 2.438) 6.519 11.192 ( -1.238 7.329 -2.109) 7.726 11.192 ( 1.238 7.329 -2.109) 7.726 11.542 ( -1.713 4.230 0.750) 4.625 11.542 ( 1.713 4.230 0.750) 4.625 11.759 ( -0.995 -0.379 2.780) 2.977 11.759 ( 0.995 -0.379 2.780) 2.977 11.863 ( -2.757 2.471 1.167) 3.882 11.863 ( 2.757 2.471 1.167) 3.882 12.177 ( -2.393 -0.604 6.665) 7.107 12.177 ( 2.393 -0.604 6.665) 7.107 12.354 ( -3.446 1.112 -1.308) 3.850 12.354 ( 3.446 1.112 -1.308) 3.850 12.513 ( -1.107 -1.330 1.648) 2.390 12.513 ( 1.107 -1.330 1.648) 2.390 12.705 ( -2.374 2.602 -0.601) 3.573 12.705 ( 2.374 2.602 -0.601) 3.573 13.098 ( -2.891 -1.961 0.834) 3.591 13.098 ( 2.891 -1.961 0.834) 3.591 13.230 ( -4.276 -0.084 -0.168) 4.280 13.230 ( 4.276 -0.084 -0.168) 4.280 13.922 ( -6.047 -8.644 -0.356) 10.556 13.922 ( 6.047 -8.644 -0.356) 10.556 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 5.259 6.051) 8.017 1.709 ( 0.000 12.928 3.614) 13.424 1.913 ( 0.000 3.376 10.666) 11.187 1.960 ( 0.000 3.127 12.399) 12.787 2.107 ( 0.000 -4.550 2.406) 5.147 2.198 ( 0.000 4.480 -4.650) 6.457 2.228 ( 0.000 13.833 4.645) 14.592 2.251 ( 0.000 -4.278 -3.409) 5.470 2.383 ( 0.000 -10.245 -7.065) 12.445 2.479 ( 0.000 1.450 -0.912) 1.713 2.799 ( 0.000 4.411 10.978) 11.831 2.930 ( 0.000 2.499 1.679) 3.010 2.932 ( 0.000 -6.577 1.871) 6.838 2.970 ( 0.000 6.425 4.372) 7.771 3.087 ( 0.000 3.906 -6.950) 7.972 3.239 ( 0.000 5.152 -9.466) 10.777 3.364 ( 0.000 0.518 -7.034) 7.053 3.490 ( 0.000 -1.709 -5.893) 6.136 3.614 ( 0.000 12.133 -4.757) 13.032 3.668 ( 0.000 8.998 -5.213) 10.399 3.727 ( 0.000 -1.710 1.111) 2.039 3.798 ( 0.000 1.946 -5.096) 5.455 3.843 ( 0.000 -0.697 -7.200) 7.234 4.012 ( 0.000 -0.481 -7.510) 7.525 4.038 ( 0.000 2.701 -3.750) 4.621 4.148 ( 0.000 -0.913 -10.050) 10.092 4.231 ( 0.000 7.249 -2.858) 7.793 4.259 ( 0.000 8.873 -6.528) 11.016 4.649 ( 0.000 12.137 -1.608) 12.243 4.729 ( 0.000 8.822 -0.609) 8.843 4.835 ( 0.000 -2.510 -6.649) 7.107 4.905 ( 0.000 8.868 -3.451) 9.516 4.943 ( 0.000 5.172 4.068) 6.580 5.005 ( 0.000 5.872 -2.699) 6.463 5.040 ( 0.000 6.975 -3.919) 8.000 5.207 ( 0.000 11.920 -0.218) 11.922 5.235 ( 0.000 4.574 -2.843) 5.386 5.251 ( 0.000 -0.833 -8.265) 8.307 5.497 ( 0.000 9.170 1.749) 9.335 5.633 ( 0.000 8.487 -2.855) 8.954 5.853 ( 0.000 -13.771 4.260) 14.415 5.866 ( 0.000 -13.166 2.161) 13.342 5.945 ( 0.000 -9.749 -1.976) 9.947 6.026 ( 0.000 -8.439 -1.986) 8.669 6.300 ( 0.000 -13.891 0.230) 13.893 6.326 ( 0.000 -14.190 0.534) 14.200 6.625 ( 0.000 -15.111 3.077) 15.421 6.689 ( 0.000 -17.196 0.745) 17.212 7.321 ( 0.000 1.165 11.259) 11.319 7.425 ( 0.000 -2.861 6.746) 7.328 7.470 ( 0.000 -0.510 5.860) 5.882 7.474 ( 0.000 -0.298 6.144) 6.151 7.788 ( 0.000 1.809 9.795) 9.961 7.806 ( 0.000 0.825 7.888) 7.931 7.853 ( 0.000 0.272 5.610) 5.616 7.920 ( 0.000 -1.661 3.914) 4.251 8.480 ( 0.000 -0.399 3.036) 3.062 8.531 ( 0.000 -2.497 2.832) 3.776 8.622 ( 0.000 0.056 0.749) 0.751 8.702 ( 0.000 -2.979 -1.095) 3.174 8.980 ( 0.000 1.018 0.174) 1.032 8.984 ( 0.000 2.450 0.576) 2.517 9.072 ( 0.000 -2.029 0.661) 2.134 9.108 ( 0.000 -1.871 -0.313) 1.897 9.474 ( 0.000 3.712 0.926) 3.826 9.509 ( 0.000 4.282 -0.573) 4.320 9.760 ( 0.000 -7.266 -0.544) 7.286 9.791 ( 0.000 -6.267 -1.554) 6.457 9.983 ( 0.000 -1.373 1.259) 1.863 10.088 ( 0.000 -5.090 -2.099) 5.506 10.128 ( 0.000 -2.905 0.889) 3.038 10.149 ( 0.000 -2.156 0.559) 2.227 10.222 ( 0.000 2.249 0.714) 2.359 10.225 ( 0.000 2.026 0.523) 2.093 10.389 ( 0.000 -0.083 -1.788) 1.790 10.404 ( 0.000 -0.785 -1.306) 1.524 10.446 ( 0.000 -1.279 1.885) 2.278 10.520 ( 0.000 -2.280 -2.168) 3.146 10.671 ( 0.000 -1.586 1.862) 2.446 10.685 ( 0.000 -1.433 1.558) 2.117 10.811 ( 0.000 0.308 3.606) 3.619 10.829 ( 0.000 0.742 2.827) 2.923 10.928 ( 0.000 -3.199 -1.186) 3.412 10.958 ( 0.000 -4.292 -2.522) 4.979 11.210 ( 0.000 8.479 4.528) 9.612 11.268 ( 0.000 5.652 1.969) 5.985 11.304 ( 0.000 7.842 1.434) 7.972 11.361 ( 0.000 4.739 0.109) 4.740 11.581 ( 0.000 2.639 0.716) 2.735 11.616 ( 0.000 1.581 -1.077) 1.913 11.778 ( 0.000 1.118 5.507) 5.620 11.784 ( 0.000 2.962 3.881) 4.882 11.835 ( 0.000 2.020 3.709) 4.223 11.935 ( 0.000 -1.637 -0.027) 1.637 12.133 ( 0.000 -2.504 3.977) 4.700 12.143 ( 0.000 -4.808 3.588) 5.999 12.334 ( 0.000 2.762 5.774) 6.400 12.403 ( 0.000 0.319 2.082) 2.107 12.453 ( 0.000 2.003 1.089) 2.280 12.622 ( 0.000 -1.062 -5.518) 5.619 12.774 ( 0.000 3.992 -1.007) 4.117 12.845 ( 0.000 5.018 -2.008) 5.405 12.916 ( 0.000 -3.230 -0.877) 3.347 13.072 ( 0.000 -2.735 -1.708) 3.224 13.273 ( 0.000 0.848 -1.128) 1.411 13.321 ( 0.000 6.567 -0.736) 6.608 13.578 ( 0.000 -10.435 7.455) 12.824 13.792 ( 0.000 -13.169 -3.070) 13.522 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 3.240 6.203 5.728) 9.043 1.729 ( 1.476 12.145 2.666) 12.521 1.908 ( 0.606 1.670 11.143) 11.284 1.982 ( 0.629 3.495 13.680) 14.133 2.098 ( -0.706 -0.325 -2.961) 3.061 2.158 ( -2.571 6.301 -1.634) 6.999 2.229 ( 0.200 0.072 4.805) 4.810 2.277 ( 1.248 -3.815 -3.521) 5.340 2.399 ( 1.879 -2.228 -1.656) 3.352 2.483 ( -0.040 2.396 -2.246) 3.285 2.745 ( -3.253 3.347 6.624) 8.103 2.825 ( -6.379 0.000 5.073) 8.151 2.976 ( 2.268 0.376 -3.518) 4.203 3.016 ( 1.725 5.735 -3.938) 7.168 3.106 ( 2.288 -0.192 2.628) 3.490 3.234 ( -1.815 1.234 -5.253) 5.693 3.370 ( 1.515 1.273 -7.926) 8.169 3.507 ( 1.588 2.370 -5.819) 6.481 3.590 ( -4.405 3.418 0.174) 5.578 3.654 ( -0.935 8.547 -4.398) 9.658 3.730 ( -0.669 1.134 -3.825) 4.045 3.760 ( 0.886 1.346 -4.406) 4.692 3.853 ( -0.680 0.653 -9.601) 9.648 3.906 ( -5.360 2.285 -6.112) 8.444 4.124 ( 3.717 4.218 -6.092) 8.289 4.145 ( -1.161 1.395 -6.216) 6.476 4.211 ( 1.035 5.191 -7.284) 9.004 4.274 ( -1.112 5.497 -8.267) 9.990 4.671 ( 2.976 13.711 1.220) 14.083 4.757 ( 1.470 7.004 0.710) 7.191 4.817 ( 1.272 5.163 -4.840) 7.191 4.882 ( -3.185 14.739 0.343) 15.083 4.954 ( -0.273 0.629 -0.389) 0.789 4.985 ( -1.361 5.774 -2.142) 6.307 5.069 ( 2.060 9.378 -4.268) 10.507 5.166 ( -3.308 8.809 -2.842) 9.829 5.276 ( 5.442 2.516 -5.318) 8.014 5.334 ( 6.506 1.823 -5.353) 8.620 5.469 ( -2.952 8.101 0.662) 8.648 5.594 ( -4.498 8.013 -3.281) 9.757 5.855 ( 0.199 -13.844 3.599) 14.305 5.870 ( 0.084 -13.102 2.668) 13.371 5.951 ( 1.140 -10.937 -0.495) 11.008 6.015 ( -1.229 -10.006 -1.464) 10.187 6.335 ( 4.064 -14.468 0.820) 15.050 6.356 ( 3.475 -14.706 0.927) 15.139 6.586 ( -4.183 -15.259 2.557) 16.028 6.633 ( -5.907 -16.975 1.013) 18.002 7.338 ( 1.789 1.255 10.534) 10.758 7.422 ( -1.207 -0.329 6.626) 6.743 7.453 ( -0.495 -2.266 7.220) 7.584 7.473 ( -0.403 -0.940 6.029) 6.115 7.796 ( 0.141 2.433 8.207) 8.561 7.798 ( -0.611 1.431 7.959) 8.109 7.863 ( 1.507 -1.257 6.274) 6.574 7.917 ( -0.498 -2.177 4.615) 5.127 8.497 ( 1.852 0.007 2.078) 2.783 8.538 ( 0.989 -1.691 2.091) 2.865 8.595 ( -2.621 0.121 0.614) 2.694 8.652 ( -4.471 -1.834 -0.611) 4.871 8.990 ( 1.186 1.382 0.912) 2.037 9.009 ( 1.586 1.979 0.627) 2.612 9.085 ( 1.312 -2.123 0.286) 2.512 9.115 ( 0.429 -2.024 -0.556) 2.143 9.481 ( 0.744 3.821 0.811) 3.976 9.505 ( -0.385 4.314 -0.236) 4.337 9.765 ( 0.658 -7.723 -0.512) 7.768 9.789 ( -0.208 -7.178 -1.421) 7.320 9.987 ( 0.508 -1.154 1.091) 1.668 10.056 ( -3.074 -0.997 -0.844) 3.340 10.113 ( -0.428 -6.005 1.499) 6.204 10.133 ( -1.371 -3.246 0.296) 3.536 10.244 ( 2.093 2.064 0.109) 2.942 10.269 ( 2.887 1.928 -0.161) 3.475 10.372 ( -0.917 -1.658 -1.421) 2.369 10.407 ( -0.578 -0.945 -1.377) 1.768 10.462 ( 1.828 0.899 0.958) 2.251 10.519 ( -0.430 -0.395 -1.898) 1.986 10.656 ( -0.726 -2.006 2.265) 3.112 10.682 ( -0.742 -2.146 1.021) 2.490 10.813 ( 0.291 0.658 3.663) 3.733 10.828 ( -0.187 0.483 3.048) 3.091 10.930 ( 0.317 -3.709 -1.278) 3.936 10.952 ( -0.580 -4.357 -2.338) 4.979 11.217 ( 0.801 8.051 4.242) 9.136 11.256 ( -1.000 6.581 2.598) 7.145 11.335 ( 2.497 6.483 1.132) 7.039 11.369 ( 0.584 4.558 0.440) 4.616 11.594 ( 1.363 3.075 0.701) 3.436 11.632 ( 0.964 2.805 -0.728) 3.054 11.732 ( -0.977 0.163 3.045) 3.202 11.794 ( -1.718 0.513 2.474) 3.056 11.875 ( 3.762 3.330 4.710) 6.887 11.940 ( 0.134 1.288 1.947) 2.338 12.115 ( -0.715 -3.224 5.191) 6.153 12.153 ( -0.621 -5.320 4.722) 7.140 12.330 ( 1.843 4.109 2.400) 5.103 12.435 ( 2.286 0.759 2.102) 3.197 12.489 ( 2.671 1.772 -0.623) 3.265 12.565 ( -5.501 1.408 -2.500) 6.205 12.757 ( -2.597 1.716 -1.407) 3.416 12.834 ( -0.485 5.189 -2.622) 5.834 12.904 ( 0.793 -5.490 1.309) 5.699 13.072 ( -1.032 -3.452 -3.039) 4.714 13.277 ( 0.026 1.690 0.019) 1.691 13.314 ( -0.905 6.661 0.059) 6.722 13.603 ( 3.313 -11.047 4.825) 12.502 13.764 ( -3.081 -12.770 -2.589) 13.389 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.056 8.961 3.865) 9.973 1.727 ( 2.056 8.961 3.865) 9.973 1.948 ( -3.370 1.721 11.364) 11.977 1.948 ( 3.370 1.721 11.364) 11.977 2.115 ( -2.268 4.686 -2.167) 5.639 2.115 ( 2.268 4.686 -2.167) 5.639 2.257 ( -2.408 -5.181 2.998) 6.453 2.257 ( 2.408 -5.181 2.998) 6.453 2.454 ( -3.223 3.277 -1.767) 4.924 2.454 ( 3.223 3.277 -1.767) 4.924 2.738 ( -2.637 1.201 3.787) 4.769 2.738 ( 2.637 1.201 3.787) 4.769 3.013 ( -1.510 4.131 -6.847) 8.138 3.013 ( 1.510 4.131 -6.847) 8.138 3.170 ( -4.420 -2.552 3.337) 6.098 3.170 ( 4.420 -2.552 3.337) 6.098 3.437 ( -6.038 0.666 -5.580) 8.249 3.437 ( 6.038 0.666 -5.580) 8.249 3.606 ( -4.191 6.839 -2.549) 8.416 3.606 ( 4.191 6.839 -2.549) 8.416 3.755 ( -2.609 -2.864 -7.949) 8.843 3.755 ( 2.609 -2.864 -7.949) 8.843 3.848 ( -2.561 6.734 -4.861) 8.691 3.848 ( 2.561 6.734 -4.861) 8.691 4.147 ( -0.762 3.696 -6.718) 7.706 4.147 ( 0.762 3.696 -6.718) 7.706 4.238 ( -1.908 3.587 -9.406) 10.246 4.238 ( 1.908 3.587 -9.406) 10.246 4.741 ( -3.654 13.610 3.273) 14.467 4.741 ( 3.654 13.610 3.273) 14.467 4.846 ( -0.956 10.142 -1.653) 10.320 4.846 ( 0.956 10.142 -1.653) 10.320 4.956 ( -1.535 3.009 -2.245) 4.056 4.956 ( 1.535 3.009 -2.245) 4.056 5.107 ( -2.761 10.334 -3.799) 11.351 5.107 ( 2.761 10.334 -3.799) 11.351 5.381 ( -4.908 2.841 -5.096) 7.624 5.381 ( 4.908 2.841 -5.096) 7.624 5.480 ( -7.354 5.919 -2.755) 9.834 5.480 ( 7.354 5.919 -2.755) 9.834 5.864 ( -0.712 -13.566 3.601) 14.054 5.864 ( 0.712 -13.566 3.601) 14.054 5.983 ( -2.140 -11.482 -0.540) 11.692 5.983 ( 2.140 -11.482 -0.540) 11.692 6.413 ( -1.290 -14.540 2.073) 14.744 6.413 ( 1.290 -14.540 2.073) 14.744 6.528 ( -2.139 -16.708 0.997) 16.874 6.528 ( 2.139 -16.708 0.997) 16.874 7.380 ( -2.743 1.228 8.755) 9.256 7.380 ( 2.743 1.228 8.755) 9.256 7.461 ( -0.809 -2.288 6.627) 7.058 7.461 ( 0.809 -2.288 6.627) 7.058 7.793 ( -0.140 2.412 7.529) 7.907 7.793 ( 0.140 2.412 7.529) 7.907 7.897 ( -1.764 -2.502 5.953) 6.694 7.897 ( 1.764 -2.502 5.953) 6.694 8.542 ( -2.895 0.269 0.639) 2.977 8.542 ( 2.895 0.269 0.639) 2.977 8.577 ( -3.322 -1.042 0.772) 3.566 8.577 ( 3.322 -1.042 0.772) 3.566 9.013 ( -0.977 1.825 1.309) 2.449 9.013 ( 0.977 1.825 1.309) 2.449 9.110 ( -1.085 -2.133 -0.582) 2.463 9.110 ( 1.085 -2.133 -0.582) 2.463 9.495 ( -0.723 4.135 0.379) 4.215 9.495 ( 0.723 4.135 0.379) 4.215 9.780 ( -0.843 -8.225 -0.808) 8.307 9.780 ( 0.843 -8.225 -0.808) 8.307 10.008 ( -1.990 -0.439 0.524) 2.105 10.008 ( 1.990 -0.439 0.524) 2.105 10.115 ( -0.589 -5.289 0.727) 5.371 10.115 ( 0.589 -5.289 0.727) 5.371 10.281 ( -1.570 2.474 0.142) 2.934 10.281 ( 1.570 2.474 0.142) 2.934 10.382 ( -1.826 -2.767 -1.940) 3.842 10.382 ( 1.826 -2.767 -1.940) 3.842 10.498 ( -1.813 2.591 -0.268) 3.174 10.498 ( 1.813 2.591 -0.268) 3.174 10.662 ( -1.194 -2.784 1.368) 3.324 10.662 ( 1.194 -2.784 1.368) 3.324 10.821 ( -0.535 0.578 3.486) 3.574 10.821 ( 0.535 0.578 3.486) 3.574 10.940 ( -0.695 -4.331 -1.768) 4.729 10.940 ( 0.695 -4.331 -1.768) 4.729 11.236 ( -1.185 7.333 3.497) 8.210 11.236 ( 1.185 7.333 3.497) 8.210 11.368 ( -0.928 4.939 0.892) 5.104 11.368 ( 0.928 4.939 0.892) 5.104 11.624 ( -1.611 3.830 0.575) 4.194 11.624 ( 1.611 3.830 0.575) 4.194 11.754 ( -2.457 -0.689 1.097) 2.778 11.754 ( 2.457 -0.689 1.097) 2.778 11.927 ( -1.814 3.675 3.959) 5.698 11.927 ( 1.814 3.675 3.959) 5.698 12.123 ( -1.715 -4.135 6.115) 7.578 12.123 ( 1.715 -4.135 6.115) 7.578 12.411 ( -5.997 3.859 -1.185) 7.229 12.411 ( 5.997 3.859 -1.185) 7.229 12.508 ( -2.315 0.230 0.807) 2.462 12.508 ( 2.315 0.230 0.807) 2.462 12.766 ( -4.341 3.297 -0.787) 5.508 12.766 ( 4.341 3.297 -0.787) 5.508 12.999 ( -6.720 -6.279 -2.101) 9.434 12.999 ( 6.720 -6.279 -2.101) 9.434 13.289 ( -1.537 5.265 1.446) 5.672 13.289 ( 1.537 5.265 1.446) 5.672 13.687 ( -5.229 -11.939 -0.235) 13.036 13.687 ( 5.229 -11.939 -0.235) 13.036 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 -7.137 5.812) 9.204 1.788 ( 0.000 7.137 5.812) 9.204 2.005 ( 0.000 -0.984 5.245) 5.336 2.005 ( 0.000 0.984 5.245) 5.336 2.087 ( 0.000 -10.159 7.466) 12.608 2.087 ( 0.000 10.159 7.466) 12.608 2.215 ( 0.000 -1.831 -6.756) 7.000 2.215 ( 0.000 1.831 -6.756) 7.000 2.535 ( 0.000 -6.370 2.857) 6.981 2.535 ( 0.000 6.370 2.857) 6.981 2.777 ( 0.000 -1.142 -3.480) 3.663 2.777 ( 0.000 1.142 -3.480) 3.663 3.044 ( 0.000 -2.430 8.979) 9.302 3.044 ( 0.000 2.430 8.979) 9.302 3.203 ( 0.000 -6.964 -5.318) 8.762 3.203 ( 0.000 6.964 -5.318) 8.762 3.413 ( 0.000 -4.919 -10.272) 11.389 3.413 ( 0.000 4.919 -10.272) 11.389 3.662 ( 0.000 -2.634 1.003) 2.819 3.662 ( 0.000 2.634 1.003) 2.819 3.823 ( 0.000 -1.227 -5.189) 5.332 3.823 ( 0.000 1.227 -5.189) 5.332 3.951 ( 0.000 -3.442 -11.359) 11.869 3.951 ( 0.000 3.442 -11.359) 11.869 4.147 ( 0.000 -6.645 -5.961) 8.927 4.147 ( 0.000 6.645 -5.961) 8.927 4.296 ( 0.000 -3.166 -7.013) 7.694 4.296 ( 0.000 3.166 -7.013) 7.694 4.768 ( 0.000 -1.543 -4.468) 4.727 4.768 ( 0.000 1.543 -4.468) 4.727 4.956 ( 0.000 -1.815 -1.732) 2.509 4.956 ( 0.000 1.815 -1.732) 2.509 5.090 ( 0.000 -4.775 -0.722) 4.829 5.090 ( 0.000 4.775 -0.722) 4.829 5.217 ( 0.000 -3.349 -2.186) 3.999 5.217 ( 0.000 3.349 -2.186) 3.999 5.351 ( 0.000 -9.467 2.937) 9.912 5.351 ( 0.000 9.467 2.937) 9.912 5.622 ( 0.000 -0.611 5.461) 5.495 5.622 ( 0.000 0.611 5.461) 5.495 5.729 ( 0.000 -2.189 -0.776) 2.322 5.729 ( 0.000 2.189 -0.776) 2.322 5.879 ( 0.000 -5.171 -4.708) 6.993 5.879 ( 0.000 5.171 -4.708) 6.993 6.108 ( 0.000 -1.289 -1.573) 2.033 6.108 ( 0.000 1.289 -1.573) 2.033 6.425 ( 0.000 -1.921 1.557) 2.473 6.425 ( 0.000 1.921 1.557) 2.473 7.361 ( 0.000 -2.531 9.427) 9.761 7.361 ( 0.000 2.531 9.427) 9.761 7.470 ( 0.000 -0.145 5.335) 5.337 7.470 ( 0.000 0.145 5.335) 5.337 7.810 ( 0.000 -0.356 9.134) 9.141 7.810 ( 0.000 0.356 9.134) 9.141 7.878 ( 0.000 -1.905 4.956) 5.310 7.878 ( 0.000 1.905 4.956) 5.310 8.488 ( 0.000 -1.257 2.696) 2.975 8.488 ( 0.000 1.257 2.696) 2.975 8.645 ( 0.000 -2.030 -0.410) 2.071 8.645 ( 0.000 2.030 -0.410) 2.071 9.008 ( 0.000 -1.125 0.743) 1.348 9.008 ( 0.000 1.125 0.743) 1.348 9.062 ( 0.000 -1.904 -0.347) 1.936 9.062 ( 0.000 1.904 -0.347) 1.936 9.574 ( 0.000 -3.589 0.218) 3.595 9.574 ( 0.000 3.589 0.218) 3.595 9.658 ( 0.000 -3.561 -0.063) 3.561 9.658 ( 0.000 3.561 -0.063) 3.561 9.992 ( 0.000 -2.388 0.122) 2.391 9.992 ( 0.000 2.388 0.122) 2.391 10.117 ( 0.000 -0.640 -1.241) 1.396 10.117 ( 0.000 0.640 -1.241) 1.396 10.249 ( 0.000 -0.056 1.053) 1.054 10.249 ( 0.000 0.056 1.053) 1.054 10.403 ( 0.000 -0.131 -1.034) 1.042 10.403 ( 0.000 0.131 -1.034) 1.042 10.449 ( 0.000 -2.759 -1.335) 3.065 10.449 ( 0.000 2.759 -1.335) 3.065 10.665 ( 0.000 -0.487 1.519) 1.595 10.665 ( 0.000 0.487 1.519) 1.595 10.834 ( 0.000 -1.037 2.175) 2.410 10.834 ( 0.000 1.037 2.175) 2.410 10.889 ( 0.000 -1.050 -0.420) 1.131 10.889 ( 0.000 1.050 -0.420) 1.131 11.346 ( 0.000 -2.097 3.315) 3.922 11.346 ( 0.000 2.097 3.315) 3.922 11.372 ( 0.000 -0.354 2.503) 2.528 11.372 ( 0.000 0.354 2.503) 2.528 11.629 ( 0.000 -1.072 -0.401) 1.145 11.629 ( 0.000 1.072 -0.401) 1.145 11.817 ( 0.000 -1.491 4.279) 4.532 11.817 ( 0.000 1.491 4.279) 4.532 11.874 ( 0.000 -3.014 3.146) 4.357 11.874 ( 0.000 3.014 3.146) 4.357 12.092 ( 0.000 -0.407 4.526) 4.544 12.092 ( 0.000 0.407 4.526) 4.544 12.394 ( 0.000 -1.577 2.695) 3.122 12.394 ( 0.000 1.577 2.695) 3.122 12.539 ( 0.000 -5.417 -1.788) 5.704 12.539 ( 0.000 5.417 -1.788) 5.704 12.834 ( 0.000 -1.742 -0.103) 1.745 12.834 ( 0.000 1.742 -0.103) 1.745 12.988 ( 0.000 -4.569 -6.232) 7.728 12.988 ( 0.000 4.569 -6.232) 7.728 13.354 ( 0.000 -5.935 4.046) 7.183 13.354 ( 0.000 5.935 4.046) 7.183 13.531 ( 0.000 -9.641 -0.923) 9.685 13.531 ( 0.000 9.641 -0.923) 9.685 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 3.837 -6.763 5.168) 9.336 1.825 ( 3.837 6.763 5.168) 9.336 1.997 ( -3.017 -7.798 1.663) 8.526 1.997 ( -3.017 7.798 1.663) 8.526 2.081 ( 1.871 -6.908 8.285) 10.949 2.081 ( 1.871 6.908 8.285) 10.949 2.201 ( -1.932 -1.977 -2.129) 3.489 2.201 ( -1.932 1.977 -2.129) 3.489 2.569 ( 3.584 -5.521 2.835) 7.166 2.569 ( 3.584 5.521 2.835) 7.166 2.740 ( -3.873 -2.194 -2.503) 5.107 2.740 ( -3.873 2.194 -2.503) 5.107 3.046 ( 0.958 -3.539 6.843) 7.763 3.046 ( 0.958 3.539 6.843) 7.763 3.171 ( -3.340 -5.404 -4.903) 8.025 3.171 ( -3.340 5.404 -4.903) 8.025 3.438 ( 2.522 -4.831 -10.891) 12.178 3.438 ( 2.522 4.831 -10.891) 12.178 3.614 ( -5.877 -6.103 -2.902) 8.956 3.614 ( -5.877 6.103 -2.902) 8.956 3.828 ( 2.352 -1.012 -3.863) 4.634 3.828 ( 2.352 1.012 -3.863) 4.634 3.935 ( -1.606 -2.862 -6.205) 7.019 3.935 ( -1.606 2.862 -6.205) 7.019 4.175 ( 2.256 -3.403 -7.928) 8.918 4.175 ( 2.256 3.403 -7.928) 8.918 4.273 ( -2.433 -3.460 -9.005) 9.949 4.273 ( -2.433 3.460 -9.005) 9.949 4.810 ( 4.552 -0.247 -3.039) 5.478 4.810 ( 4.552 0.247 -3.039) 5.478 4.963 ( -1.092 -1.264 -1.275) 2.102 4.963 ( -1.092 1.264 -1.275) 2.102 5.143 ( 5.858 -10.895 -0.691) 12.389 5.143 ( 5.858 10.895 -0.691) 12.389 5.238 ( 1.721 -5.930 -2.320) 6.596 5.238 ( 1.721 5.930 -2.320) 6.596 5.350 ( 0.850 -5.216 2.572) 5.878 5.350 ( 0.850 5.216 2.572) 5.878 5.579 ( -5.270 -5.238 4.351) 8.610 5.579 ( -5.270 5.238 4.351) 8.610 5.740 ( 1.253 -3.461 -0.545) 3.721 5.740 ( 1.253 3.461 -0.545) 3.721 5.832 ( -3.949 -5.585 -3.552) 7.707 5.832 ( -3.949 5.585 -3.552) 7.707 6.141 ( 4.020 -1.109 -1.110) 4.315 6.141 ( 4.020 1.109 -1.110) 4.315 6.378 ( -5.369 -1.380 1.257) 5.685 6.378 ( -5.369 1.380 1.257) 5.685 7.377 ( 1.699 -2.379 8.875) 9.344 7.377 ( 1.699 2.379 8.875) 9.344 7.453 ( -1.763 -0.888 6.096) 6.408 7.453 ( -1.763 0.888 6.096) 6.408 7.820 ( 1.027 -0.541 8.371) 8.451 7.820 ( 1.027 0.541 8.371) 8.451 7.867 ( -1.106 -2.018 5.421) 5.889 7.867 ( -1.106 2.018 5.421) 5.889 8.507 ( 1.995 -1.013 1.984) 2.991 8.507 ( 1.995 1.013 1.984) 2.991 8.614 ( -3.052 -1.513 -0.180) 3.411 8.614 ( -3.052 1.513 -0.180) 3.411 9.027 ( 1.923 -1.659 0.595) 2.609 9.027 ( 1.923 1.659 0.595) 2.609 9.068 ( 0.297 -1.925 -0.088) 1.949 9.068 ( 0.297 1.925 -0.088) 1.949 9.586 ( 1.237 -3.579 0.273) 3.796 9.586 ( 1.237 3.579 0.273) 3.796 9.644 ( -1.394 -3.586 0.057) 3.848 9.644 ( -1.394 3.586 0.057) 3.848 9.999 ( 0.905 -2.373 0.091) 2.541 9.999 ( 0.905 2.373 0.091) 2.541 10.080 ( -3.199 -1.370 -0.220) 3.487 10.080 ( -3.199 1.370 -0.220) 3.487 10.275 ( 2.458 -0.906 -0.616) 2.691 10.275 ( 2.458 0.906 -0.616) 2.691 10.379 ( -2.353 -1.541 -1.250) 3.078 10.379 ( -2.353 1.541 -1.250) 3.078 10.498 ( 4.529 -1.657 -0.306) 4.832 10.498 ( 4.529 1.657 -0.306) 4.832 10.643 ( -2.423 -1.088 1.351) 2.980 10.643 ( -2.423 1.088 1.351) 2.980 10.841 ( 0.718 -1.047 1.797) 2.200 10.841 ( 0.718 1.047 1.797) 2.200 10.879 ( -0.984 -1.097 -0.054) 1.475 10.879 ( -0.984 1.097 -0.054) 1.475 11.354 ( 0.718 -2.609 3.322) 4.284 11.354 ( 0.718 2.609 3.322) 4.284 11.373 ( -0.048 -1.591 2.751) 3.178 11.373 ( -0.048 1.591 2.751) 3.178 11.655 ( 2.683 -1.658 -0.239) 3.163 11.655 ( 2.683 1.658 -0.239) 3.163 11.764 ( -3.218 -2.684 1.872) 4.590 11.764 ( -3.218 2.684 1.872) 4.590 11.946 ( 4.934 -2.173 5.170) 7.470 11.946 ( 4.934 2.173 5.170) 7.470 12.072 ( -2.087 -1.100 4.693) 5.253 12.072 ( -2.087 1.100 4.693) 5.253 12.412 ( 2.462 -2.701 1.904) 4.121 12.412 ( 2.462 2.701 1.904) 4.121 12.556 ( -0.272 -2.876 -2.819) 4.036 12.556 ( -0.272 2.876 -2.819) 4.036 12.790 ( -1.081 -2.388 1.636) 3.090 12.790 ( -1.081 2.388 1.636) 3.090 12.973 ( -3.546 -5.321 -5.345) 8.333 12.973 ( -3.546 5.321 -5.345) 8.333 13.377 ( 2.952 -6.776 2.931) 7.951 13.377 ( 2.952 6.776 2.931) 7.951 13.510 ( -2.346 -9.408 -0.892) 9.737 13.510 ( -2.346 9.408 -0.892) 9.737 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -5.443 -6.431 3.092) 8.974 1.911 ( 5.399 -6.422 3.092) 8.941 1.911 ( -5.399 6.422 3.092) 8.941 1.911 ( 5.443 6.431 3.092) 8.974 2.145 ( -3.830 -2.737 3.992) 6.173 2.145 ( 0.933 -2.010 3.992) 4.566 2.145 ( -0.933 2.010 3.992) 4.566 2.145 ( 3.830 2.737 3.992) 6.173 2.653 ( -3.146 -9.084 1.050) 9.671 2.653 ( 0.493 -8.951 1.050) 9.025 2.653 ( -0.493 8.951 1.050) 9.025 2.653 ( 3.146 9.084 1.050) 9.671 3.096 ( -4.253 -3.617 0.054) 5.583 3.096 ( 3.186 -3.332 0.054) 4.610 3.096 ( -3.186 3.332 0.054) 4.610 3.096 ( 4.253 3.617 0.054) 5.583 3.504 ( -4.583 -6.680 -9.609) 12.568 3.504 ( 2.833 -6.432 -9.609) 11.905 3.504 ( -2.833 6.432 -9.609) 11.905 3.504 ( 4.583 6.680 -9.609) 12.568 3.890 ( -2.497 -4.333 -1.617) 5.256 3.890 ( 0.478 -4.156 -1.617) 4.485 3.890 ( -0.478 4.156 -1.617) 4.485 3.890 ( 2.497 4.333 -1.617) 5.256 4.222 ( -2.491 -3.944 -10.326) 11.331 4.222 ( 1.272 -3.796 -10.326) 11.075 4.222 ( -1.272 3.796 -10.326) 11.075 4.222 ( 2.491 3.944 -10.326) 11.331 4.904 ( -4.147 -3.037 -1.727) 5.422 4.904 ( -1.430 -2.331 -1.727) 3.234 4.904 ( 1.430 2.331 -1.727) 3.234 4.904 ( 4.147 3.037 -1.727) 5.422 5.232 ( -2.920 -12.731 -0.436) 13.069 5.232 ( 2.920 -12.731 -0.436) 13.069 5.232 ( -2.920 12.731 -0.436) 13.069 5.232 ( 2.920 12.731 -0.436) 13.069 5.441 ( -7.675 -7.614 1.569) 10.925 5.441 ( 2.060 -6.656 1.569) 7.142 5.441 ( -2.060 6.656 1.569) 7.142 5.441 ( 7.675 7.614 1.569) 10.925 5.774 ( -1.981 -6.537 -1.034) 6.909 5.774 ( 1.513 -6.506 -1.034) 6.759 5.774 ( -1.513 6.506 -1.034) 6.759 5.774 ( 1.981 6.537 -1.034) 6.909 6.251 ( -5.848 -3.282 0.198) 6.709 6.251 ( -4.620 -2.750 0.198) 5.380 6.251 ( 4.620 2.750 0.198) 5.380 6.251 ( 5.848 3.282 0.198) 6.709 7.415 ( -2.230 -1.920 7.583) 8.134 7.415 ( 1.578 -1.751 7.583) 7.941 7.415 ( -1.578 1.751 7.583) 7.941 7.415 ( 2.230 1.920 7.583) 8.134 7.843 ( -1.208 -2.346 6.756) 7.254 7.843 ( 0.731 -2.297 6.756) 7.174 7.843 ( -0.731 2.297 6.756) 7.174 7.843 ( 1.208 2.346 6.756) 7.254 8.555 ( -3.181 -0.916 0.670) 3.378 8.555 ( -3.094 0.838 0.670) 3.274 8.555 ( 3.094 -0.838 0.670) 3.274 8.555 ( 3.181 0.916 0.670) 3.378 9.060 ( -1.190 -2.360 0.301) 2.660 9.060 ( 0.980 -2.336 0.301) 2.551 9.060 ( -0.980 2.336 0.301) 2.551 9.060 ( 1.190 2.360 0.301) 2.660 9.614 ( -1.110 -6.768 0.260) 6.863 9.614 ( 0.759 -6.756 0.260) 6.804 9.614 ( -0.759 6.756 0.260) 6.804 9.614 ( 1.110 6.768 0.260) 6.863 10.028 ( -2.195 -2.436 0.112) 3.280 10.028 ( 1.336 -2.275 0.112) 2.640 10.028 ( -1.336 2.275 0.112) 2.640 10.028 ( 2.195 2.436 0.112) 3.280 10.327 ( -2.896 -2.086 -1.384) 3.828 10.327 ( -0.020 -1.502 -1.384) 2.043 10.327 ( 0.020 1.502 -1.384) 2.043 10.327 ( 2.896 2.086 -1.384) 3.828 10.582 ( -2.885 -3.993 0.771) 4.986 10.582 ( -0.760 -3.743 0.771) 3.896 10.582 ( 0.760 3.743 0.771) 3.896 10.582 ( 2.885 3.993 0.771) 4.986 10.859 ( -0.636 -2.819 0.870) 3.018 10.859 ( 0.224 -2.803 0.870) 2.944 10.859 ( -0.224 2.803 0.870) 2.944 10.859 ( 0.636 2.819 0.870) 3.018 11.367 ( -0.429 -4.051 3.149) 5.148 11.367 ( 0.372 -4.049 3.149) 5.143 11.367 ( -0.372 4.049 3.149) 5.143 11.367 ( 0.429 4.051 3.149) 5.148 11.710 ( -2.659 -3.298 0.392) 4.255 11.710 ( 1.121 -3.069 0.392) 3.291 11.710 ( -1.121 3.069 0.392) 3.291 11.710 ( 2.659 3.298 0.392) 4.255 12.022 ( -1.978 -4.614 5.355) 7.340 12.022 ( -0.218 -4.508 5.355) 7.003 12.022 ( 0.218 4.508 5.355) 7.003 12.022 ( 1.978 4.614 5.355) 7.340 12.487 ( -5.427 -2.432 -0.372) 5.959 12.487 ( -2.414 0.093 -0.372) 2.444 12.487 ( 2.414 -0.093 -0.372) 2.444 12.487 ( 5.427 2.432 -0.372) 5.959 12.863 ( -7.296 -5.730 -1.307) 9.369 12.863 ( 7.292 -5.729 -1.307) 9.365 12.863 ( -7.292 5.729 -1.307) 9.365 12.863 ( 7.296 5.730 -1.307) 9.369 13.448 ( -4.029 -9.418 0.237) 10.246 13.448 ( 3.610 -9.375 0.237) 10.049 13.448 ( -3.610 9.375 0.237) 10.049 13.448 ( 4.029 9.418 0.237) 10.246 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 0.000 -1.524) 1.524 1.325 ( 0.000 0.000 1.524) 1.524 1.826 ( 0.000 0.000 -7.795) 7.795 1.826 ( 0.000 0.000 7.795) 7.795 2.238 ( 0.000 0.000 -0.775) 0.775 2.238 ( 0.000 0.000 0.775) 0.775 2.286 ( 0.000 0.000 -4.118) 4.118 2.286 ( 0.000 0.000 4.118) 4.118 2.572 ( 0.000 0.000 -7.790) 7.790 2.572 ( 0.000 0.000 7.790) 7.790 2.637 ( 0.000 0.000 -3.459) 3.459 2.637 ( 0.000 0.000 3.459) 3.459 2.840 ( 0.000 0.000 -6.756) 6.756 2.840 ( 0.000 0.000 6.756) 6.756 2.972 ( 0.000 0.000 -2.012) 2.012 2.972 ( 0.000 0.000 2.012) 2.012 3.319 ( 0.000 0.000 -9.033) 9.033 3.319 ( 0.000 0.000 9.033) 9.033 3.401 ( 0.000 0.000 -2.829) 2.829 3.401 ( 0.000 0.000 2.829) 2.829 3.517 ( 0.000 0.000 -0.683) 0.683 3.517 ( 0.000 0.000 0.683) 0.683 3.609 ( 0.000 0.000 -9.016) 9.016 3.609 ( 0.000 0.000 9.016) 9.016 4.003 ( 0.000 0.000 -5.020) 5.020 4.003 ( 0.000 0.000 5.020) 5.020 4.280 ( 0.000 0.000 -4.607) 4.607 4.280 ( 0.000 0.000 4.607) 4.607 4.492 ( 0.000 0.000 -0.210) 0.210 4.492 ( 0.000 0.000 0.210) 0.210 4.603 ( 0.000 0.000 -6.668) 6.668 4.603 ( 0.000 0.000 6.668) 6.668 4.846 ( 0.000 0.000 -0.851) 0.851 4.846 ( 0.000 0.000 0.851) 0.851 4.994 ( 0.000 0.000 -6.479) 6.479 4.994 ( 0.000 0.000 6.479) 6.479 5.086 ( 0.000 0.000 -1.045) 1.045 5.086 ( 0.000 0.000 1.045) 1.045 5.344 ( 0.000 0.000 -6.647) 6.647 5.344 ( 0.000 0.000 6.647) 6.647 6.206 ( 0.000 0.000 -2.514) 2.514 6.206 ( 0.000 0.000 2.514) 2.514 6.244 ( 0.000 0.000 -0.172) 0.172 6.244 ( 0.000 0.000 0.172) 0.172 6.757 ( 0.000 0.000 -0.753) 0.753 6.757 ( 0.000 0.000 0.753) 0.753 7.111 ( 0.000 0.000 -2.957) 2.957 7.111 ( 0.000 0.000 2.957) 2.957 7.494 ( 0.000 0.000 -3.641) 3.641 7.494 ( 0.000 0.000 3.641) 3.641 7.582 ( 0.000 0.000 -1.220) 1.220 7.582 ( 0.000 0.000 1.220) 1.220 7.794 ( 0.000 0.000 -1.074) 1.074 7.794 ( 0.000 0.000 1.074) 1.074 7.960 ( 0.000 0.000 -1.968) 1.968 7.960 ( 0.000 0.000 1.968) 1.968 8.585 ( 0.000 0.000 -3.494) 3.494 8.585 ( 0.000 0.000 3.494) 3.494 8.727 ( 0.000 0.000 -4.221) 4.221 8.727 ( 0.000 0.000 4.221) 4.221 8.947 ( 0.000 0.000 -1.207) 1.207 8.947 ( 0.000 0.000 1.207) 1.207 9.149 ( 0.000 0.000 -0.193) 0.193 9.149 ( 0.000 0.000 0.193) 0.193 9.421 ( 0.000 0.000 -0.337) 0.337 9.421 ( 0.000 0.000 0.337) 0.337 9.931 ( 0.000 0.000 -1.445) 1.445 9.931 ( 0.000 0.000 1.445) 1.445 10.065 ( 0.000 0.000 -0.094) 0.094 10.065 ( 0.000 0.000 0.094) 0.094 10.160 ( 0.000 0.000 -0.644) 0.644 10.160 ( 0.000 0.000 0.644) 0.644 10.311 ( 0.000 0.000 -3.898) 3.898 10.311 ( 0.000 0.000 3.898) 3.898 10.456 ( 0.000 0.000 -0.386) 0.386 10.456 ( 0.000 0.000 0.386) 0.386 10.677 ( 0.000 0.000 -0.118) 0.118 10.677 ( 0.000 0.000 0.118) 0.118 10.764 ( 0.000 0.000 -4.389) 4.389 10.764 ( 0.000 0.000 4.389) 4.389 10.810 ( 0.000 0.000 -0.310) 0.310 10.810 ( 0.000 0.000 0.310) 0.310 10.901 ( 0.000 0.000 -2.721) 2.721 10.901 ( 0.000 0.000 2.721) 2.721 11.001 ( 0.000 0.000 -2.232) 2.232 11.001 ( 0.000 0.000 2.232) 2.232 11.080 ( 0.000 0.000 -4.329) 4.329 11.080 ( 0.000 0.000 4.329) 4.329 11.496 ( 0.000 0.000 -3.073) 3.073 11.496 ( 0.000 0.000 3.073) 3.073 11.785 ( 0.000 0.000 -1.135) 1.135 11.785 ( 0.000 0.000 1.135) 1.135 11.816 ( 0.000 0.000 -4.307) 4.307 11.816 ( 0.000 0.000 4.307) 4.307 12.308 ( 0.000 0.000 -3.864) 3.864 12.308 ( 0.000 0.000 3.864) 3.864 12.431 ( 0.000 0.000 -1.392) 1.392 12.431 ( 0.000 0.000 1.392) 1.392 12.555 ( 0.000 0.000 -2.917) 2.917 12.555 ( 0.000 0.000 2.917) 2.917 12.565 ( 0.000 0.000 -0.848) 0.848 12.565 ( 0.000 0.000 0.848) 0.848 13.150 ( 0.000 0.000 -1.355) 1.355 13.150 ( 0.000 0.000 1.355) 1.355 13.207 ( 0.000 0.000 -5.682) 5.682 13.207 ( 0.000 0.000 5.682) 5.682 14.039 ( 0.000 0.000 -6.515) 6.515 14.039 ( 0.000 0.000 6.515) 6.515 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.454 0.000 -1.094) 1.185 1.330 ( 0.454 0.000 1.094) 1.185 1.885 ( 5.601 0.000 -5.975) 8.190 1.885 ( 5.601 0.000 5.975) 8.190 2.230 ( -0.629 0.000 -0.633) 0.892 2.230 ( -0.629 0.000 0.633) 0.892 2.296 ( 0.758 0.000 -2.962) 3.057 2.296 ( 0.758 0.000 2.962) 3.057 2.486 ( -5.763 0.000 -2.396) 6.242 2.486 ( -5.763 0.000 2.396) 6.242 2.698 ( 2.652 0.000 -2.854) 3.896 2.698 ( 2.652 0.000 2.854) 3.896 2.835 ( -0.436 0.000 -4.840) 4.859 2.835 ( -0.436 0.000 4.840) 4.859 2.931 ( -2.675 0.000 -3.405) 4.330 2.931 ( -2.675 0.000 3.405) 4.330 3.334 ( 0.988 0.000 -6.130) 6.209 3.334 ( 0.988 0.000 6.130) 6.209 3.386 ( -1.065 0.000 -2.246) 2.485 3.386 ( -1.065 0.000 2.246) 2.485 3.573 ( 5.077 0.000 -0.604) 5.113 3.573 ( 5.077 0.000 0.604) 5.113 3.680 ( 7.552 0.000 -8.450) 11.333 3.680 ( 7.552 0.000 8.450) 11.333 3.953 ( -4.817 0.000 -3.823) 6.149 3.953 ( -4.817 0.000 3.823) 6.149 4.204 ( -8.840 0.000 -5.252) 10.283 4.204 ( -8.840 0.000 5.252) 10.283 4.462 ( -1.435 0.000 -1.289) 1.929 4.462 ( -1.435 0.000 1.289) 1.929 4.638 ( 3.536 0.000 -5.010) 6.132 4.638 ( 3.536 0.000 5.010) 6.132 4.809 ( -3.799 0.000 -1.172) 3.975 4.809 ( -3.799 0.000 1.172) 3.975 4.938 ( -3.664 0.000 -4.875) 6.099 4.938 ( -3.664 0.000 4.875) 6.099 5.165 ( 5.864 0.000 -4.059) 7.132 5.165 ( 5.864 0.000 4.059) 7.132 5.322 ( -2.401 0.000 -6.654) 7.074 5.322 ( -2.401 0.000 6.654) 7.074 6.226 ( 1.947 0.000 -2.415) 3.102 6.226 ( 1.947 0.000 2.415) 3.102 6.259 ( 1.123 0.000 -1.055) 1.540 6.259 ( 1.123 0.000 1.055) 1.540 6.809 ( 5.257 0.000 -0.877) 5.330 6.809 ( 5.257 0.000 0.877) 5.330 7.071 ( -4.219 0.000 -2.589) 4.950 7.071 ( -4.219 0.000 2.589) 4.950 7.482 ( -0.966 0.000 -2.361) 2.551 7.482 ( -0.966 0.000 2.361) 2.551 7.588 ( 0.621 0.000 -1.037) 1.209 7.588 ( 0.621 0.000 1.037) 1.209 7.786 ( -0.765 0.000 -0.653) 1.005 7.786 ( -0.765 0.000 0.653) 1.005 7.994 ( 3.004 0.000 -1.203) 3.236 7.994 ( 3.004 0.000 1.203) 3.236 8.561 ( -2.206 0.000 -2.828) 3.586 8.561 ( -2.206 0.000 2.828) 3.586 8.665 ( -4.798 0.000 -2.520) 5.419 8.665 ( -4.798 0.000 2.520) 5.419 8.982 ( 2.437 0.000 -0.196) 2.445 8.982 ( 2.437 0.000 0.196) 2.445 9.149 ( -0.135 0.000 -0.846) 0.857 9.149 ( -0.135 0.000 0.846) 0.857 9.420 ( -0.076 0.000 -0.238) 0.249 9.420 ( -0.076 0.000 0.238) 0.249 9.977 ( 4.548 0.000 -1.792) 4.888 9.977 ( 4.548 0.000 1.792) 4.888 10.069 ( 0.334 0.000 -0.218) 0.399 10.069 ( 0.334 0.000 0.218) 0.399 10.135 ( -2.697 0.000 -0.720) 2.792 10.135 ( -2.697 0.000 0.720) 2.792 10.312 ( 0.078 0.000 -2.574) 2.575 10.312 ( 0.078 0.000 2.574) 2.575 10.456 ( -0.038 0.000 -0.277) 0.280 10.456 ( -0.038 0.000 0.277) 0.280 10.676 ( -0.117 0.000 -0.080) 0.142 10.676 ( -0.117 0.000 0.080) 0.142 10.767 ( 0.102 0.000 -3.525) 3.527 10.767 ( 0.102 0.000 3.525) 3.527 10.812 ( 0.226 0.000 -0.219) 0.314 10.812 ( 0.226 0.000 0.219) 0.314 10.870 ( -1.981 0.000 -3.370) 3.910 10.870 ( -1.981 0.000 3.370) 3.910 11.038 ( 2.537 0.000 -0.946) 2.708 11.038 ( 2.537 0.000 0.946) 2.708 11.088 ( 0.713 0.000 -3.400) 3.474 11.088 ( 0.713 0.000 3.400) 3.474 11.496 ( 0.026 0.000 -2.178) 2.178 11.496 ( 0.026 0.000 2.178) 2.178 11.798 ( 1.198 0.000 -0.993) 1.556 11.798 ( 1.198 0.000 0.993) 1.556 11.818 ( 0.176 0.000 -3.056) 3.061 11.818 ( 0.176 0.000 3.056) 3.061 12.290 ( -1.935 0.000 -3.716) 4.190 12.290 ( -1.935 0.000 3.716) 4.190 12.358 ( -4.283 0.000 -3.126) 5.303 12.358 ( -4.283 0.000 3.126) 5.303 12.560 ( -0.436 0.000 -0.618) 0.757 12.560 ( -0.436 0.000 0.618) 0.757 12.628 ( 4.599 0.000 -3.035) 5.510 12.628 ( 4.599 0.000 3.035) 5.510 13.152 ( 0.190 0.000 -0.971) 0.989 13.152 ( 0.190 0.000 0.971) 0.989 13.208 ( 0.175 0.000 -4.858) 4.861 13.208 ( 0.175 0.000 4.858) 4.861 14.030 ( -0.811 0.000 -4.814) 4.882 14.030 ( -0.811 0.000 4.814) 4.882 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.421 ( -0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.830 ( -0.000 0.000 -0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.639 ( -0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.799 ( -0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.889 ( -0.000 0.000 0.000) 0.000 3.889 ( -0.000 0.000 0.000) 0.000 4.065 ( -0.000 0.000 0.000) 0.000 4.065 ( -0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.743 ( -0.000 0.000 -0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.901 ( -0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 -0.000) 0.000 5.251 ( -0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 -0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 -0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.889 ( -0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.472 ( -0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 10.063 ( -0.000 0.000 -0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.070 ( -0.000 0.000 -0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 -0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 10.853 ( -0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 -0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.555 ( -0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.211 ( -0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 11.749 -1.932) 11.907 1.498 ( 0.000 11.749 1.932) 11.907 1.882 ( 0.000 6.732 -4.494) 8.094 1.882 ( 0.000 6.732 4.494) 8.094 2.176 ( 0.000 -2.947 -0.094) 2.949 2.176 ( 0.000 -2.947 0.094) 2.949 2.299 ( 0.000 0.860 -5.734) 5.798 2.299 ( 0.000 0.860 5.734) 5.798 2.439 ( 0.000 -8.732 -8.205) 11.982 2.439 ( 0.000 -8.732 8.205) 11.982 2.788 ( 0.000 9.995 -2.202) 10.235 2.788 ( 0.000 9.995 2.202) 10.235 2.966 ( 0.000 3.687 -6.876) 7.802 2.966 ( 0.000 3.687 6.876) 7.802 3.029 ( 0.000 7.067 -3.856) 8.051 3.029 ( 0.000 7.067 3.856) 8.051 3.293 ( 0.000 0.849 -0.510) 0.990 3.293 ( 0.000 0.849 0.510) 0.990 3.403 ( 0.000 0.205 -0.767) 0.794 3.403 ( 0.000 0.205 0.767) 0.794 3.575 ( 0.000 5.670 -1.835) 5.960 3.575 ( 0.000 5.670 1.835) 5.960 3.816 ( 0.000 15.674 -0.283) 15.677 3.816 ( 0.000 15.674 0.283) 15.677 4.013 ( 0.000 0.245 -3.218) 3.227 4.013 ( 0.000 0.245 3.218) 3.227 4.201 ( 0.000 -9.440 -6.075) 11.226 4.201 ( 0.000 -9.440 6.075) 11.226 4.475 ( 0.000 5.490 -3.935) 6.755 4.475 ( 0.000 5.490 3.935) 6.755 4.754 ( 0.000 10.280 -1.992) 10.471 4.754 ( 0.000 10.280 1.992) 10.471 4.829 ( 0.000 -0.959 -0.150) 0.971 4.829 ( 0.000 -0.959 0.150) 0.971 5.030 ( 0.000 2.488 -7.400) 7.807 5.030 ( 0.000 2.488 7.400) 7.807 5.093 ( 0.000 0.458 -0.962) 1.066 5.093 ( 0.000 0.458 0.962) 1.066 5.391 ( 0.000 5.103 -5.162) 7.259 5.391 ( 0.000 5.103 5.162) 7.259 6.115 ( 0.000 -8.103 -1.792) 8.299 6.115 ( 0.000 -8.103 1.792) 8.299 6.171 ( 0.000 -6.555 -0.937) 6.622 6.171 ( 0.000 -6.555 0.937) 6.622 6.626 ( 0.000 -11.423 -1.021) 11.469 6.626 ( 0.000 -11.423 1.021) 11.469 6.990 ( 0.000 -10.922 -2.660) 11.241 6.990 ( 0.000 -10.922 2.660) 11.241 7.477 ( 0.000 -0.817 -3.461) 3.556 7.477 ( 0.000 -0.817 3.461) 3.556 7.566 ( 0.000 -1.393 -0.728) 1.572 7.566 ( 0.000 -1.393 0.728) 1.572 7.837 ( 0.000 3.035 -0.814) 3.142 7.837 ( 0.000 3.035 0.814) 3.142 7.953 ( 0.000 -0.641 -2.215) 2.306 7.953 ( 0.000 -0.641 2.215) 2.306 8.569 ( 0.000 -1.360 -3.027) 3.318 8.569 ( 0.000 -1.360 3.027) 3.318 8.705 ( 0.000 -1.903 -3.800) 4.250 8.705 ( 0.000 -1.903 3.800) 4.250 8.957 ( 0.000 0.916 -0.709) 1.159 8.957 ( 0.000 0.916 0.709) 1.159 9.132 ( 0.000 -1.460 -0.579) 1.571 9.132 ( 0.000 -1.460 0.579) 1.571 9.436 ( 0.000 1.536 -0.523) 1.623 9.436 ( 0.000 1.536 0.523) 1.623 9.877 ( 0.000 -4.457 -0.169) 4.460 9.877 ( 0.000 -4.457 0.169) 4.460 10.065 ( 0.000 -0.458 -2.056) 2.106 10.065 ( 0.000 -0.458 2.056) 2.106 10.179 ( 0.000 1.527 -0.287) 1.554 10.179 ( 0.000 1.527 0.287) 1.554 10.261 ( 0.000 -4.279 -2.196) 4.809 10.261 ( 0.000 -4.279 2.196) 4.809 10.417 ( 0.000 -3.233 -1.334) 3.497 10.417 ( 0.000 -3.233 1.334) 3.497 10.543 ( 0.000 -4.154 -0.534) 4.188 10.543 ( 0.000 -4.154 0.534) 4.188 10.755 ( 0.000 -3.534 -0.037) 3.534 10.755 ( 0.000 -3.534 0.037) 3.534 10.841 ( 0.000 2.074 -0.381) 2.108 10.841 ( 0.000 2.074 0.381) 2.108 10.988 ( 0.000 -2.534 -2.148) 3.322 10.988 ( 0.000 -2.534 2.148) 3.322 11.099 ( 0.000 12.493 -1.938) 12.643 11.099 ( 0.000 12.493 1.938) 12.643 11.123 ( 0.000 5.955 -4.074) 7.215 11.123 ( 0.000 5.955 4.074) 7.215 11.543 ( 0.000 3.175 -1.794) 3.646 11.543 ( 0.000 3.175 1.794) 3.646 11.800 ( 0.000 1.521 -1.429) 2.087 11.800 ( 0.000 1.521 1.429) 2.087 11.844 ( 0.000 2.125 -3.366) 3.980 11.844 ( 0.000 2.125 3.366) 3.980 12.266 ( 0.000 -3.584 -2.124) 4.167 12.266 ( 0.000 -3.584 2.124) 4.167 12.431 ( 0.000 0.552 -0.351) 0.654 12.431 ( 0.000 0.552 0.351) 0.654 12.496 ( 0.000 -1.947 -5.156) 5.511 12.496 ( 0.000 -1.947 5.156) 5.511 12.665 ( 0.000 5.354 -0.410) 5.369 12.665 ( 0.000 5.354 0.410) 5.369 13.105 ( 0.000 -4.580 -3.056) 5.506 13.105 ( 0.000 -4.580 3.056) 5.506 13.222 ( 0.000 2.201 -1.040) 2.434 13.222 ( 0.000 2.201 1.040) 2.434 13.941 ( 0.000 -8.565 -6.178) 10.561 13.941 ( 0.000 -8.565 6.178) 10.561 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.844 12.347 -1.287) 12.442 1.508 ( 0.844 12.347 1.287) 12.442 1.928 ( 4.345 5.446 -3.421) 7.762 1.928 ( 4.345 5.446 3.421) 7.762 2.145 ( -2.509 -4.247 -0.791) 4.996 2.145 ( -2.509 -4.247 0.791) 4.996 2.315 ( 1.175 1.561 -3.666) 4.154 2.315 ( 1.175 1.561 3.666) 4.154 2.449 ( 0.481 -6.854 -5.442) 8.765 2.449 ( 0.481 -6.854 5.442) 8.765 2.759 ( -3.157 8.813 -2.180) 9.612 2.759 ( -3.157 8.813 2.180) 9.612 2.878 ( -4.234 0.919 -4.967) 6.591 2.878 ( -4.234 0.919 4.967) 6.591 3.106 ( 4.289 12.259 -1.839) 13.118 3.106 ( 4.289 12.259 1.839) 13.118 3.271 ( -2.160 0.093 -4.074) 4.612 3.271 ( -2.160 0.093 4.074) 4.612 3.464 ( 6.147 -0.153 -5.290) 8.111 3.464 ( 6.147 -0.153 5.290) 8.111 3.603 ( 2.383 5.514 -2.062) 6.351 3.603 ( 2.383 5.514 2.062) 6.351 3.835 ( 1.733 11.108 -3.116) 11.666 3.835 ( 1.733 11.108 3.116) 11.666 3.940 ( -6.424 -0.906 -0.703) 6.525 3.940 ( -6.424 -0.906 0.703) 6.525 4.155 ( -4.766 -4.226 -4.074) 7.561 4.155 ( -4.766 -4.226 4.074) 7.561 4.510 ( 3.200 6.550 -2.815) 7.814 4.510 ( 3.200 6.550 2.815) 7.814 4.704 ( -4.176 4.785 -3.050) 7.045 4.704 ( -4.176 4.785 3.050) 7.045 4.825 ( 0.172 4.158 -2.116) 4.669 4.825 ( 0.172 4.158 2.116) 4.669 4.995 ( -2.986 2.521 -5.071) 6.402 4.995 ( -2.986 2.521 5.071) 6.402 5.169 ( 6.082 0.774 -3.500) 7.060 5.169 ( 6.082 0.774 3.500) 7.060 5.360 ( -3.140 4.445 -4.899) 7.323 5.360 ( -3.140 4.445 4.899) 7.323 6.134 ( 2.009 -8.335 -1.877) 8.777 6.134 ( 2.009 -8.335 1.877) 8.777 6.181 ( 0.563 -6.849 -1.175) 6.972 6.181 ( 0.563 -6.849 1.175) 6.972 6.675 ( 5.109 -11.749 -0.942) 12.846 6.675 ( 5.109 -11.749 0.942) 12.846 6.945 ( -4.740 -11.223 -2.235) 12.386 6.945 ( -4.740 -11.223 2.235) 12.386 7.472 ( -0.483 -0.420 -2.378) 2.462 7.472 ( -0.483 -0.420 2.378) 2.462 7.569 ( 0.316 -1.639 -0.565) 1.762 7.569 ( 0.316 -1.639 0.565) 1.762 7.827 ( -0.859 2.950 -0.547) 3.120 7.827 ( -0.859 2.950 0.547) 3.120 7.980 ( 2.369 -1.205 -1.481) 3.043 7.980 ( 2.369 -1.205 1.481) 3.043 8.554 ( -1.274 -0.627 -2.435) 2.819 8.554 ( -1.274 -0.627 2.435) 2.819 8.652 ( -4.265 -1.133 -2.387) 5.018 8.652 ( -4.265 -1.133 2.387) 5.018 8.988 ( 2.316 0.605 -0.281) 2.410 8.988 ( 2.316 0.605 0.281) 2.410 9.134 ( 0.026 -1.296 -0.816) 1.532 9.134 ( 0.026 -1.296 0.816) 1.532 9.437 ( 0.058 1.657 -0.332) 1.690 9.437 ( 0.058 1.657 0.332) 1.690 9.902 ( 2.370 -5.671 -0.311) 6.154 9.902 ( 2.370 -5.671 0.311) 6.154 10.059 ( -0.771 -1.182 -1.263) 1.894 10.059 ( -0.771 -1.182 1.263) 1.894 10.177 ( -0.084 2.371 -0.206) 2.381 10.177 ( -0.084 2.371 0.206) 2.381 10.266 ( 0.432 -3.371 -1.420) 3.683 10.266 ( 0.432 -3.371 1.420) 3.683 10.414 ( -0.244 -3.289 -1.062) 3.465 10.414 ( -0.244 -3.289 1.062) 3.465 10.540 ( -0.354 -4.915 -0.486) 4.952 10.540 ( -0.354 -4.915 0.486) 4.952 10.737 ( -1.362 -2.552 -1.051) 3.078 10.737 ( -1.362 -2.552 1.051) 3.078 10.857 ( 1.207 1.682 -0.442) 2.117 10.857 ( 1.207 1.682 0.442) 2.117 10.976 ( -0.859 -0.992 -1.279) 1.833 10.976 ( -0.859 -0.992 1.279) 1.833 11.116 ( 0.866 7.691 -0.649) 7.767 11.116 ( 0.866 7.691 0.649) 7.767 11.138 ( 1.804 8.961 -2.644) 9.516 11.138 ( 1.804 8.961 2.644) 9.516 11.548 ( 0.423 3.548 -1.422) 3.845 11.548 ( 0.423 3.548 1.422) 3.845 11.785 ( -0.944 -0.167 -1.661) 1.918 11.785 ( -0.944 -0.167 1.661) 1.918 11.868 ( 1.724 3.315 -1.646) 4.083 11.868 ( 1.724 3.315 1.646) 4.083 12.267 ( 0.473 -2.440 -3.109) 3.980 12.267 ( 0.473 -2.440 3.109) 3.980 12.366 ( -4.766 1.214 -4.351) 6.567 12.366 ( -4.766 1.214 4.351) 6.567 12.525 ( 1.189 -1.650 -1.592) 2.583 12.525 ( 1.189 -1.650 1.592) 2.583 12.681 ( 1.456 3.562 -1.046) 3.988 12.681 ( 1.456 3.562 1.046) 3.988 13.102 ( -0.322 -4.613 -2.959) 5.490 13.102 ( -0.322 -4.613 2.959) 5.490 13.228 ( 0.586 2.149 -1.141) 2.503 13.228 ( 0.586 2.149 1.141) 2.503 13.932 ( -0.828 -8.578 -4.605) 9.771 13.932 ( -0.828 -8.578 4.605) 9.771 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 12.934 0.000) 12.934 1.517 ( 0.000 12.934 0.000) 12.934 1.984 ( -0.000 4.234 -0.000) 4.234 1.984 ( 0.000 4.234 0.000) 4.234 2.116 ( 0.000 -5.436 0.000) 5.436 2.116 ( 0.000 -5.436 0.000) 5.436 2.327 ( 0.000 2.003 0.000) 2.003 2.327 ( 0.000 2.003 0.000) 2.003 2.448 ( 0.000 -4.387 0.000) 4.387 2.448 ( 0.000 -4.387 0.000) 4.387 2.718 ( 0.000 5.653 -0.000) 5.653 2.718 ( 0.000 5.653 0.000) 5.653 2.846 ( 0.000 1.892 -0.000) 1.892 2.846 ( 0.000 1.892 -0.000) 1.892 3.153 ( -0.000 17.256 0.000) 17.256 3.153 ( 0.000 17.256 0.000) 17.256 3.241 ( 0.000 -3.392 0.000) 3.392 3.241 ( 0.000 -3.392 0.000) 3.392 3.549 ( 0.000 4.242 0.000) 4.242 3.549 ( 0.000 4.242 0.000) 4.242 3.634 ( 0.000 2.513 0.000) 2.513 3.634 ( 0.000 2.513 0.000) 2.513 3.807 ( 0.000 -7.577 0.000) 7.577 3.807 ( 0.000 -7.577 0.000) 7.577 3.908 ( -0.000 10.568 0.000) 10.568 3.908 ( 0.000 10.568 0.000) 10.568 4.088 ( 0.000 1.217 0.000) 1.217 4.088 ( -0.000 1.217 0.000) 1.217 4.549 ( 0.000 9.913 0.000) 9.913 4.549 ( 0.000 9.913 0.000) 9.913 4.658 ( 0.000 -0.547 -0.000) 0.547 4.658 ( 0.000 -0.547 0.000) 0.547 4.832 ( 0.000 7.218 0.000) 7.218 4.832 ( 0.000 7.218 0.000) 7.218 4.957 ( 0.000 2.135 0.000) 2.135 4.957 ( 0.000 2.135 0.000) 2.135 5.252 ( 0.000 0.698 -0.000) 0.698 5.252 ( 0.000 0.698 0.000) 0.698 5.305 ( 0.000 4.177 -0.000) 4.177 5.305 ( 0.000 4.177 0.000) 4.177 6.166 ( -0.000 -9.086 0.000) 9.086 6.166 ( 0.000 -9.086 0.000) 9.086 6.177 ( -0.000 -6.656 -0.000) 6.656 6.177 ( 0.000 -6.656 0.000) 6.656 6.758 ( 0.000 -11.645 0.000) 11.645 6.758 ( 0.000 -11.645 0.000) 11.645 6.867 ( 0.000 -11.893 0.000) 11.893 6.867 ( 0.000 -11.893 0.000) 11.893 7.467 ( 0.000 -0.092 0.000) 0.092 7.467 ( 0.000 -0.092 0.000) 0.092 7.573 ( 0.000 -1.870 0.000) 1.870 7.573 ( 0.000 -1.870 0.000) 1.870 7.817 ( -0.000 2.905 0.000) 2.905 7.817 ( 0.000 2.905 0.000) 2.905 8.007 ( 0.000 -1.848 0.000) 1.848 8.007 ( 0.000 -1.848 0.000) 1.848 8.541 ( 0.000 0.472 0.000) 0.472 8.541 ( 0.000 0.472 0.000) 0.472 8.605 ( 0.000 -0.906 0.000) 0.906 8.605 ( 0.000 -0.906 0.000) 0.906 9.012 ( 0.000 0.553 0.000) 0.553 9.012 ( 0.000 0.553 0.000) 0.553 9.133 ( 0.000 -1.134 0.000) 1.134 9.133 ( 0.000 -1.134 0.000) 1.134 9.438 ( 0.000 1.765 0.000) 1.765 9.438 ( 0.000 1.765 0.000) 1.765 9.933 ( 0.000 -7.273 0.000) 7.273 9.933 ( 0.000 -7.273 0.000) 7.273 10.046 ( 0.000 -1.451 0.000) 1.451 10.046 ( 0.000 -1.451 0.000) 1.451 10.177 ( 0.000 3.187 0.000) 3.187 10.177 ( 0.000 3.187 0.000) 3.187 10.271 ( 0.000 -2.477 0.000) 2.477 10.271 ( 0.000 -2.477 0.000) 2.477 10.412 ( 0.000 -3.250 0.000) 3.250 10.412 ( 0.000 -3.250 0.000) 3.250 10.535 ( 0.000 -5.809 0.000) 5.809 10.535 ( 0.000 -5.809 0.000) 5.809 10.723 ( 0.000 -1.913 0.000) 1.913 10.723 ( 0.000 -1.913 0.000) 1.913 10.869 ( 0.000 1.692 0.000) 1.692 10.869 ( 0.000 1.692 0.000) 1.692 10.967 ( 0.000 -0.357 0.000) 0.357 10.967 ( 0.000 -0.357 0.000) 0.357 11.123 ( 0.000 5.642 -0.000) 5.642 11.123 ( 0.000 5.642 0.000) 5.642 11.160 ( 0.000 10.098 0.000) 10.098 11.160 ( 0.000 10.098 0.000) 10.098 11.553 ( 0.000 3.969 0.000) 3.969 11.553 ( 0.000 3.969 0.000) 3.969 11.776 ( 0.000 -1.172 0.000) 1.172 11.776 ( 0.000 -1.172 0.000) 1.172 11.886 ( -0.000 3.746 0.000) 3.746 11.886 ( 0.000 3.746 0.000) 3.746 12.291 ( -0.000 -2.933 -0.000) 2.933 12.291 ( 0.000 -2.933 -0.000) 2.933 12.299 ( -0.000 3.251 0.000) 3.251 12.299 ( 0.000 3.251 0.000) 3.251 12.533 ( 0.000 -1.230 0.000) 1.230 12.533 ( 0.000 -1.230 0.000) 1.230 12.697 ( 0.000 1.950 0.000) 1.950 12.697 ( 0.000 1.950 0.000) 1.950 13.098 ( 0.000 -4.652 0.000) 4.652 13.098 ( 0.000 -4.652 0.000) 4.652 13.235 ( 0.000 2.104 0.000) 2.104 13.235 ( 0.000 2.104 0.000) 2.104 13.922 ( 0.000 -8.594 0.000) 8.594 13.922 ( 0.000 -8.594 0.000) 8.594 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 7.943 -1.284) 8.046 1.701 ( 0.000 7.943 1.284) 8.046 2.049 ( 0.000 0.499 -3.498) 3.533 2.049 ( 0.000 0.499 3.498) 3.533 2.155 ( 0.000 0.783 -0.449) 0.902 2.155 ( 0.000 0.783 0.449) 0.902 2.256 ( 0.000 -2.752 -2.703) 3.858 2.256 ( 0.000 -2.752 2.703) 3.858 2.402 ( 0.000 8.744 -9.516) 12.924 2.402 ( 0.000 8.744 9.516) 12.924 2.894 ( 0.000 -3.343 -2.288) 4.051 2.894 ( 0.000 -3.343 2.288) 4.051 3.064 ( 0.000 5.948 -2.612) 6.497 3.064 ( 0.000 5.948 2.612) 6.497 3.087 ( 0.000 2.561 -6.408) 6.901 3.087 ( 0.000 2.561 6.408) 6.901 3.290 ( 0.000 -2.477 -6.182) 6.660 3.290 ( 0.000 -2.477 6.182) 6.660 3.609 ( 0.000 15.060 -1.186) 15.106 3.609 ( 0.000 15.060 1.186) 15.106 3.701 ( 0.000 4.737 -1.637) 5.012 3.701 ( 0.000 4.737 1.637) 5.012 3.886 ( 0.000 -11.585 -5.862) 12.984 3.886 ( 0.000 -11.585 5.862) 12.984 4.016 ( 0.000 1.059 -2.217) 2.457 4.016 ( 0.000 1.059 2.217) 2.457 4.189 ( 0.000 7.899 -0.036) 7.899 4.189 ( 0.000 7.899 0.036) 7.899 4.675 ( 0.000 9.655 -3.687) 10.335 4.675 ( 0.000 9.655 3.687) 10.335 4.821 ( 0.000 3.198 -4.061) 5.169 4.821 ( 0.000 3.198 4.061) 5.169 4.984 ( 0.000 5.623 -0.451) 5.641 4.984 ( 0.000 5.623 0.451) 5.641 5.075 ( 0.000 5.327 -7.651) 9.323 5.075 ( 0.000 5.327 7.651) 9.323 5.210 ( 0.000 11.479 -0.203) 11.481 5.210 ( 0.000 11.479 0.203) 11.481 5.563 ( 0.000 9.889 -3.806) 10.596 5.563 ( 0.000 9.889 3.806) 10.596 5.888 ( 0.000 -11.569 -0.225) 11.571 5.888 ( 0.000 -11.569 0.225) 11.571 5.971 ( 0.000 -11.515 -3.213) 11.954 5.971 ( 0.000 -11.515 3.213) 11.954 6.314 ( 0.000 -15.566 -1.087) 15.604 6.314 ( 0.000 -15.566 1.087) 15.604 6.677 ( 0.000 -16.282 -1.761) 16.377 6.677 ( 0.000 -16.282 1.761) 16.377 7.468 ( 0.000 -0.165 -2.687) 2.692 7.468 ( 0.000 -0.165 2.687) 2.692 7.533 ( 0.000 -1.333 -0.278) 1.362 7.533 ( 0.000 -1.333 0.278) 1.362 7.892 ( 0.000 1.742 -0.371) 1.781 7.892 ( 0.000 1.742 0.371) 1.781 7.936 ( 0.000 -0.764 -2.571) 2.682 7.936 ( 0.000 -0.764 2.571) 2.682 8.536 ( 0.000 -1.425 -1.864) 2.346 8.536 ( 0.000 -1.425 1.864) 2.346 8.660 ( 0.000 -1.842 -2.466) 3.078 8.660 ( 0.000 -1.842 2.466) 3.078 8.986 ( 0.000 1.717 -0.247) 1.735 8.986 ( 0.000 1.717 0.247) 1.735 9.092 ( 0.000 -2.153 -1.081) 2.409 9.092 ( 0.000 -2.153 1.081) 2.409 9.494 ( 0.000 3.907 -0.904) 4.010 9.494 ( 0.000 3.907 0.904) 4.010 9.762 ( 0.000 -5.862 -0.891) 5.929 9.762 ( 0.000 -5.862 0.891) 5.929 10.029 ( 0.000 -2.516 -2.893) 3.834 10.029 ( 0.000 -2.516 2.893) 3.834 10.150 ( 0.000 -4.296 -0.604) 4.338 10.150 ( 0.000 -4.296 0.604) 4.338 10.231 ( 0.000 2.424 -0.007) 2.424 10.231 ( 0.000 2.424 0.007) 2.424 10.374 ( 0.000 -0.436 -0.813) 0.922 10.374 ( 0.000 -0.436 0.813) 0.922 10.484 ( 0.000 -2.509 -1.597) 2.974 10.484 ( 0.000 -2.509 1.597) 2.974 10.696 ( 0.000 -1.601 -0.437) 1.660 10.696 ( 0.000 -1.601 0.437) 1.660 10.864 ( 0.000 0.171 -0.709) 0.730 10.864 ( 0.000 0.171 0.709) 0.730 10.916 ( 0.000 -2.922 -0.987) 3.084 10.916 ( 0.000 -2.922 0.987) 3.084 11.276 ( 0.000 7.145 -1.463) 7.294 11.276 ( 0.000 7.145 1.463) 7.294 11.339 ( 0.000 7.675 -1.816) 7.886 11.339 ( 0.000 7.675 1.816) 7.886 11.597 ( 0.000 1.842 -0.797) 2.007 11.597 ( 0.000 1.842 0.797) 2.007 11.843 ( 0.000 1.922 -0.213) 1.934 11.843 ( 0.000 1.922 0.213) 1.934 11.889 ( 0.000 1.732 -3.168) 3.611 11.889 ( 0.000 1.732 3.168) 3.611 12.181 ( 0.000 -3.563 -0.336) 3.579 12.181 ( 0.000 -3.563 0.336) 3.579 12.449 ( 0.000 0.642 -1.506) 1.637 12.449 ( 0.000 0.642 1.506) 1.637 12.479 ( 0.000 0.310 -7.427) 7.433 12.479 ( 0.000 0.310 7.427) 7.433 12.780 ( 0.000 5.045 -2.104) 5.466 12.780 ( 0.000 5.045 2.104) 5.466 12.981 ( 0.000 -5.908 -4.995) 7.736 12.981 ( 0.000 -5.908 4.995) 7.736 13.300 ( 0.000 4.902 -1.724) 5.196 13.300 ( 0.000 4.902 1.724) 5.196 13.708 ( 0.000 -11.726 -5.168) 12.814 13.708 ( 0.000 -11.726 5.168) 12.814 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.531 7.628 -1.025) 7.848 1.718 ( 1.531 7.628 1.025) 7.848 2.035 ( -1.343 -3.023 -3.454) 4.782 2.035 ( -1.343 -3.023 3.454) 4.782 2.154 ( 0.509 6.224 -2.273) 6.646 2.154 ( 0.509 6.224 2.273) 6.646 2.287 ( 2.367 -4.733 -4.010) 6.640 2.287 ( 2.367 -4.733 4.010) 6.640 2.410 ( 0.661 8.513 -7.644) 11.461 2.410 ( 0.661 8.513 7.644) 11.461 2.858 ( -4.111 -3.380 -3.260) 6.242 2.858 ( -4.111 -3.380 3.260) 6.242 2.966 ( -3.048 8.911 -0.426) 9.428 2.966 ( -3.048 8.911 0.426) 9.428 3.179 ( 2.512 -0.296 -0.786) 2.649 3.179 ( 2.512 -0.296 0.786) 2.649 3.322 ( 4.809 -3.371 -8.687) 10.486 3.322 ( 4.809 -3.371 8.687) 10.486 3.596 ( -3.149 12.088 -2.484) 12.736 3.596 ( -3.149 12.088 2.484) 12.736 3.717 ( -0.963 -0.417 -2.790) 2.980 3.717 ( -0.963 -0.417 2.790) 2.980 3.783 ( -3.263 -0.886 -5.051) 6.078 3.783 ( -3.263 -0.886 5.051) 6.078 4.075 ( 2.383 -0.997 -0.951) 2.752 4.075 ( 2.383 -0.997 0.951) 2.752 4.152 ( -2.919 6.714 -2.324) 7.681 4.152 ( -2.919 6.714 2.324) 7.681 4.722 ( 4.705 10.176 -3.588) 11.771 4.722 ( 4.705 10.176 3.588) 11.771 4.831 ( 0.509 7.965 -4.332) 9.081 4.831 ( 0.509 7.965 4.332) 9.081 4.971 ( -1.164 3.737 -0.850) 4.006 4.971 ( -1.164 3.737 0.850) 4.006 5.066 ( -1.466 9.688 -5.332) 11.155 5.066 ( -1.466 9.688 5.332) 11.155 5.249 ( 4.538 7.476 -1.843) 8.938 5.249 ( 4.538 7.476 1.843) 8.938 5.521 ( -4.345 9.406 -3.505) 10.938 5.521 ( -4.345 9.406 3.505) 10.938 5.894 ( 0.730 -12.602 -0.416) 12.630 5.894 ( 0.730 -12.602 0.416) 12.630 5.976 ( 0.247 -11.659 -2.258) 11.878 5.976 ( 0.247 -11.659 2.258) 11.878 6.352 ( 4.398 -16.102 -0.816) 16.712 6.352 ( 4.398 -16.102 0.816) 16.712 6.628 ( -5.300 -16.389 -1.333) 17.276 6.628 ( -5.300 -16.389 1.333) 17.276 7.471 ( 0.232 0.220 -2.102) 2.126 7.471 ( 0.232 0.220 2.102) 2.126 7.530 ( -0.214 -1.632 -0.413) 1.697 7.530 ( -0.214 -1.632 0.413) 1.697 7.883 ( -0.777 1.986 -0.290) 2.152 7.883 ( -0.777 1.986 0.290) 2.152 7.948 ( 1.021 -1.585 -1.705) 2.542 7.948 ( 1.021 -1.585 1.705) 2.542 8.538 ( 0.407 -0.707 -1.536) 1.739 8.538 ( 0.407 -0.707 1.536) 1.739 8.624 ( -3.224 -1.209 -1.762) 3.868 8.624 ( -3.224 -1.209 1.762) 3.868 9.009 ( 1.928 1.361 -0.650) 2.448 9.009 ( 1.928 1.361 0.650) 2.448 9.098 ( 0.440 -1.923 -0.896) 2.167 9.098 ( 0.440 -1.923 0.896) 2.167 9.497 ( 0.276 4.027 -0.616) 4.084 9.497 ( 0.276 4.027 0.616) 4.084 9.765 ( 0.335 -6.592 -0.666) 6.634 9.765 ( 0.335 -6.592 0.666) 6.634 10.023 ( -0.586 -1.779 -2.057) 2.782 10.023 ( -0.586 -1.779 2.057) 2.782 10.134 ( -1.234 -4.562 -0.455) 4.748 10.134 ( -1.234 -4.562 0.455) 4.748 10.257 ( 2.401 1.174 -1.043) 2.869 10.257 ( 2.401 1.174 1.043) 2.869 10.367 ( -1.050 -0.739 -1.413) 1.909 10.367 ( -1.050 -0.739 1.413) 1.909 10.490 ( 0.674 -0.310 -1.258) 1.460 10.490 ( 0.674 -0.310 1.258) 1.460 10.686 ( -0.825 -2.100 -0.642) 2.346 10.686 ( -0.825 -2.100 0.642) 2.346 10.868 ( 0.362 -0.266 -0.633) 0.776 10.868 ( 0.362 -0.266 0.633) 0.776 10.913 ( -0.286 -2.884 -0.715) 2.985 10.913 ( -0.286 -2.884 0.715) 2.985 11.275 ( -0.008 7.263 -0.999) 7.331 11.275 ( -0.008 7.263 0.999) 7.331 11.358 ( 1.637 7.133 -1.112) 7.403 11.358 ( 1.637 7.133 1.112) 7.403 11.613 ( 1.527 2.497 -1.046) 3.108 11.613 ( 1.527 2.497 1.046) 3.108 11.787 ( -3.151 0.022 -2.180) 3.832 11.787 ( -3.151 0.022 2.180) 3.832 11.947 ( 3.206 3.833 -1.691) 5.275 11.947 ( 3.206 3.833 1.691) 5.275 12.189 ( 0.802 -4.284 -1.349) 4.562 12.189 ( 0.802 -4.284 1.349) 4.562 12.414 ( -2.226 2.948 -4.745) 6.014 12.414 ( -2.226 2.948 4.745) 6.014 12.506 ( 1.422 -0.555 -2.986) 3.353 12.506 ( 1.422 -0.555 2.986) 3.353 12.766 ( -1.268 4.174 -2.584) 5.070 12.766 ( -1.268 4.174 2.584) 5.070 12.977 ( -0.329 -6.107 -4.869) 7.817 12.977 ( -0.329 -6.107 4.869) 7.817 13.303 ( 0.328 4.858 -1.351) 5.053 13.303 ( 0.328 4.858 1.351) 5.053 13.699 ( -0.873 -11.782 -3.980) 12.467 13.699 ( -0.873 -11.782 3.980) 12.467 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 7.272 0.000) 7.272 1.736 ( 0.000 7.272 0.000) 7.272 2.019 ( 0.000 -4.481 0.000) 4.481 2.019 ( 0.000 -4.481 0.000) 4.481 2.164 ( 0.000 8.398 -0.000) 8.398 2.164 ( 0.000 8.398 0.000) 8.398 2.312 ( 0.000 -5.696 -0.000) 5.696 2.312 ( 0.000 -5.696 0.000) 5.696 2.417 ( 0.000 8.525 0.000) 8.525 2.417 ( 0.000 8.525 0.000) 8.525 2.808 ( 0.000 -0.508 -0.000) 0.508 2.808 ( 0.000 -0.508 -0.000) 0.508 2.945 ( 0.000 7.834 0.000) 7.834 2.945 ( 0.000 7.834 0.000) 7.834 3.190 ( 0.000 -1.740 0.000) 1.740 3.190 ( 0.000 -1.740 0.000) 1.740 3.457 ( 0.000 0.965 -0.000) 0.965 3.457 ( 0.000 0.965 0.000) 0.965 3.461 ( -0.000 -6.847 -0.000) 6.847 3.461 ( -0.000 -6.847 0.000) 6.847 3.700 ( 0.000 6.559 0.000) 6.559 3.700 ( 0.000 6.559 0.000) 6.559 3.788 ( -0.000 6.800 0.000) 6.800 3.788 ( 0.000 6.800 0.000) 6.800 4.084 ( -0.000 -0.998 -0.000) 0.998 4.084 ( 0.000 -0.998 -0.000) 0.998 4.126 ( -0.000 5.050 0.000) 5.050 4.126 ( 0.000 5.050 0.000) 5.050 4.806 ( -0.000 8.769 -0.000) 8.769 4.806 ( 0.000 8.769 0.000) 8.769 4.807 ( 0.000 14.361 -0.000) 14.361 4.807 ( -0.000 14.361 0.000) 14.361 4.959 ( -0.000 0.445 -0.000) 0.445 4.959 ( 0.000 0.445 0.000) 0.445 5.042 ( -0.000 13.556 0.000) 13.556 5.042 ( 0.000 13.556 0.000) 13.556 5.321 ( -0.000 5.928 0.000) 5.928 5.321 ( 0.000 5.928 0.000) 5.928 5.454 ( 0.000 8.186 0.000) 8.186 5.454 ( 0.000 8.186 0.000) 8.186 5.905 ( -0.000 -13.833 0.000) 13.833 5.905 ( 0.000 -13.833 0.000) 13.833 5.976 ( -0.000 -11.446 0.000) 11.446 5.976 ( 0.000 -11.446 0.000) 11.446 6.435 ( 0.000 -15.994 0.000) 15.994 6.435 ( 0.000 -15.994 0.000) 15.994 6.536 ( 0.000 -17.097 0.000) 17.097 6.536 ( 0.000 -17.097 0.000) 17.097 7.473 ( 0.000 0.662 0.000) 0.662 7.473 ( 0.000 0.662 0.000) 0.662 7.528 ( 0.000 -2.003 0.000) 2.003 7.528 ( 0.000 -2.003 0.000) 2.003 7.875 ( -0.000 2.176 0.000) 2.176 7.875 ( 0.000 2.176 0.000) 2.176 7.959 ( 0.000 -2.290 0.000) 2.290 7.959 ( 0.000 -2.290 0.000) 2.290 8.550 ( 0.000 0.370 0.000) 0.370 8.550 ( 0.000 0.370 0.000) 0.370 8.581 ( 0.000 -1.156 0.000) 1.156 8.581 ( 0.000 -1.156 0.000) 1.156 9.031 ( -0.000 1.218 0.000) 1.218 9.031 ( 0.000 1.218 0.000) 1.218 9.101 ( 0.000 -1.696 0.000) 1.696 9.101 ( 0.000 -1.696 0.000) 1.696 9.500 ( 0.000 4.160 0.000) 4.160 9.500 ( 0.000 4.160 0.000) 4.160 9.770 ( 0.000 -7.448 0.000) 7.448 9.770 ( 0.000 -7.448 0.000) 7.448 10.015 ( 0.000 -0.861 0.000) 0.861 10.015 ( 0.000 -0.861 0.000) 0.861 10.121 ( 0.000 -5.417 0.000) 5.417 10.121 ( 0.000 -5.417 0.000) 5.417 10.290 ( 0.000 1.548 0.000) 1.548 10.290 ( 0.000 1.548 0.000) 1.548 10.346 ( 0.000 -2.449 0.000) 2.449 10.346 ( 0.000 -2.449 0.000) 2.449 10.499 ( -0.000 2.407 0.000) 2.407 10.499 ( 0.000 2.407 0.000) 2.407 10.677 ( 0.000 -2.865 0.000) 2.865 10.677 ( 0.000 -2.865 0.000) 2.865 10.872 ( 0.000 -0.683 0.000) 0.683 10.872 ( 0.000 -0.683 0.000) 0.683 10.910 ( 0.000 -2.846 0.000) 2.846 10.910 ( 0.000 -2.846 0.000) 2.846 11.275 ( 0.000 7.327 0.000) 7.327 11.275 ( 0.000 7.327 0.000) 7.327 11.376 ( 0.000 6.594 0.000) 6.594 11.376 ( 0.000 6.594 0.000) 6.594 11.633 ( -0.000 3.547 0.000) 3.547 11.633 ( 0.000 3.547 0.000) 3.547 11.756 ( 0.000 -1.055 0.000) 1.055 11.756 ( 0.000 -1.055 0.000) 1.055 11.976 ( -0.000 4.629 0.000) 4.629 11.976 ( 0.000 4.629 0.000) 4.629 12.199 ( 0.000 -5.131 0.000) 5.131 12.199 ( 0.000 -5.131 0.000) 5.131 12.392 ( -0.000 4.804 0.000) 4.804 12.392 ( 0.000 4.804 0.000) 4.804 12.518 ( 0.000 -0.560 0.000) 0.560 12.518 ( 0.000 -0.560 0.000) 0.560 12.752 ( -0.000 3.210 0.000) 3.210 12.752 ( 0.000 3.210 0.000) 3.210 12.974 ( 0.000 -6.339 0.000) 6.339 12.974 ( 0.000 -6.339 0.000) 6.339 13.307 ( 0.000 4.819 0.000) 4.819 13.307 ( 0.000 4.819 0.000) 4.819 13.689 ( 0.000 -11.850 0.000) 11.850 13.689 ( 0.000 -11.850 0.000) 11.850 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 -0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 -0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 -0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 -0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 -0.000 0.000) 0.000 3.147 ( 0.000 0.000 -0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 -0.000 -0.000) 0.000 3.762 ( 0.000 0.000 -0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 -0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 -0.000 0.000) 0.000 5.762 ( 0.000 -0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 -0.000 -0.000) 0.000 5.763 ( 0.000 0.000 -0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 -0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 -0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 -0.000 -0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 -0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 11.382 ( 0.000 0.000 0.000) 0.000 11.382 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 -0.000 0.000) 0.000 11.399 ( 0.000 -0.000 0.000) 0.000 11.624 ( 0.000 0.000 0.000) 0.000 11.624 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 -0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.461 ( 0.000 0.000 -0.000) 0.000 12.461 ( 0.000 0.000 -0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.870 ( 0.000 -0.000 -0.000) 0.000 12.870 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.955 -0.000 -0.000) 0.955 1.873 ( 0.955 0.000 0.000) 0.955 1.911 ( -1.439 -0.000 0.000) 1.439 1.911 ( -1.439 0.000 0.000) 1.439 2.202 ( 2.556 -0.000 0.000) 2.556 2.202 ( 2.556 0.000 0.000) 2.556 2.245 ( 0.767 0.000 0.000) 0.767 2.245 ( 0.767 0.000 0.000) 0.767 2.664 ( 0.843 -0.000 0.000) 0.843 2.664 ( 0.843 0.000 0.000) 0.843 2.701 ( -1.798 -0.000 0.000) 1.798 2.701 ( -1.798 0.000 0.000) 1.798 3.126 ( -1.144 0.000 -0.000) 1.144 3.126 ( -1.144 0.000 0.000) 1.144 3.136 ( -1.162 -0.000 -0.000) 1.162 3.136 ( -1.162 -0.000 0.000) 1.162 3.279 ( 2.195 0.000 -0.000) 2.195 3.279 ( 2.195 0.000 0.000) 2.195 3.563 ( -11.720 -0.000 0.000) 11.720 3.563 ( -11.720 0.000 0.000) 11.720 3.815 ( 4.713 -0.000 -0.000) 4.713 3.815 ( 4.713 0.000 -0.000) 4.713 3.830 ( 2.812 0.000 0.000) 2.812 3.830 ( 2.812 0.000 0.000) 2.812 4.098 ( 1.069 0.000 0.000) 1.069 4.098 ( 1.069 0.000 0.000) 1.069 4.171 ( -4.610 0.000 0.000) 4.610 4.171 ( -4.610 0.000 0.000) 4.610 4.780 ( 5.699 0.000 0.000) 5.699 4.780 ( 5.699 0.000 0.000) 5.699 4.954 ( -1.201 0.000 0.000) 1.201 4.954 ( -1.201 0.000 0.000) 1.201 5.141 ( 6.888 -0.000 0.000) 6.888 5.141 ( 6.888 0.000 0.000) 6.888 5.206 ( 1.623 0.000 0.000) 1.623 5.206 ( 1.623 0.000 0.000) 1.623 5.379 ( 0.147 0.000 0.000) 0.147 5.379 ( 0.147 0.000 0.000) 0.147 5.644 ( -8.584 -0.000 0.000) 8.584 5.644 ( -8.584 0.000 0.000) 8.584 5.747 ( 0.360 -0.000 0.000) 0.360 5.747 ( 0.360 0.000 0.000) 0.360 5.769 ( 0.352 -0.000 -0.000) 0.352 5.769 ( 0.352 0.000 -0.000) 0.352 6.127 ( 4.610 -0.000 0.000) 4.610 6.127 ( 4.610 0.000 0.000) 4.610 6.391 ( -5.795 -0.000 0.000) 5.795 6.391 ( -5.795 0.000 0.000) 5.795 7.475 ( 0.870 0.000 0.000) 0.870 7.475 ( 0.870 0.000 0.000) 0.870 7.511 ( -0.764 -0.000 0.000) 0.764 7.511 ( -0.764 0.000 0.000) 0.764 7.912 ( 0.179 0.000 0.000) 0.179 7.912 ( 0.179 0.000 0.000) 0.179 7.920 ( -0.480 -0.000 -0.000) 0.480 7.920 ( -0.480 0.000 0.000) 0.480 8.529 ( 1.164 0.000 0.000) 1.164 8.529 ( 1.164 0.000 0.000) 1.164 8.609 ( -2.737 -0.000 0.000) 2.737 8.609 ( -2.737 0.000 0.000) 2.737 9.036 ( 1.717 -0.000 0.000) 1.717 9.036 ( 1.717 0.000 0.000) 1.717 9.065 ( 0.642 -0.000 0.000) 0.642 9.065 ( 0.642 0.000 0.000) 0.642 9.589 ( 1.269 0.000 0.000) 1.269 9.589 ( 1.269 0.000 0.000) 1.269 9.645 ( -1.262 -0.000 0.000) 1.262 9.645 ( -1.262 0.000 0.000) 1.262 10.000 ( 0.886 0.000 0.000) 0.886 10.000 ( 0.886 0.000 0.000) 0.886 10.077 ( -2.570 0.000 0.000) 2.570 10.077 ( -2.570 0.000 0.000) 2.570 10.267 ( 1.380 0.000 0.000) 1.380 10.267 ( 1.380 0.000 0.000) 1.380 10.363 ( -2.385 0.000 0.000) 2.385 10.363 ( -2.385 0.000 0.000) 2.385 10.497 ( 5.194 0.000 0.000) 5.194 10.497 ( 5.194 0.000 0.000) 5.194 10.657 ( -2.602 0.000 0.000) 2.602 10.657 ( -2.602 0.000 0.000) 2.602 10.865 ( 0.180 0.000 0.000) 0.180 10.865 ( 0.180 0.000 0.000) 0.180 10.877 ( -0.446 -0.000 -0.000) 0.446 10.877 ( -0.446 0.000 0.000) 0.446 11.390 ( 0.723 0.000 0.000) 0.723 11.390 ( 0.723 0.000 0.000) 0.723 11.402 ( 0.228 -0.000 0.000) 0.228 11.402 ( 0.228 -0.000 0.000) 0.228 11.651 ( 2.851 0.000 0.000) 2.851 11.651 ( 2.851 0.000 0.000) 2.851 11.783 ( -4.569 -0.000 0.000) 4.569 11.783 ( -4.569 0.000 0.000) 4.569 12.007 ( 5.807 -0.000 0.000) 5.807 12.007 ( 5.807 0.000 0.000) 5.807 12.122 ( -1.557 0.000 0.000) 1.557 12.122 ( -1.557 0.000 0.000) 1.557 12.475 ( 1.055 -0.000 -0.000) 1.055 12.475 ( 1.055 0.000 -0.000) 1.055 12.479 ( -0.090 -0.000 0.000) 0.090 12.479 ( -0.090 0.000 0.000) 0.090 12.858 ( -1.168 0.000 -0.000) 1.168 12.858 ( -1.168 0.000 0.000) 1.168 12.862 ( -1.641 -0.000 -0.000) 1.641 12.862 ( -1.641 -0.000 0.000) 1.641 13.419 ( 1.435 -0.000 0.000) 1.435 13.419 ( 1.435 0.000 0.000) 1.435 13.498 ( -2.016 -0.000 0.000) 2.016 13.498 ( -2.016 0.000 0.000) 2.016 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.066 -7.126 0.000) 7.126 1.889 ( -0.066 -7.126 0.000) 7.126 1.889 ( 0.066 7.126 0.000) 7.126 1.889 ( 0.066 7.126 0.000) 7.126 2.243 ( -0.569 -1.279 0.000) 1.400 2.243 ( -0.569 -1.279 0.000) 1.400 2.243 ( 0.569 1.279 0.000) 1.400 2.243 ( 0.569 1.279 0.000) 1.400 2.678 ( -0.025 -11.356 0.000) 11.356 2.678 ( -0.025 -11.356 0.000) 11.356 2.678 ( 0.025 11.356 0.000) 11.356 2.678 ( 0.025 11.356 0.000) 11.356 3.117 ( -0.015 -6.404 0.000) 6.404 3.117 ( -0.015 -6.404 0.000) 6.404 3.117 ( 0.015 6.404 0.000) 6.404 3.117 ( 0.015 6.404 0.000) 6.404 3.371 ( -8.139 -0.257 -0.000) 8.143 3.371 ( -8.139 -0.257 0.000) 8.143 3.371 ( 8.139 0.257 0.000) 8.143 3.371 ( 8.139 0.257 0.000) 8.143 3.869 ( -0.001 -1.161 0.000) 1.161 3.869 ( -0.001 -1.161 0.000) 1.161 3.869 ( 0.001 1.161 0.000) 1.161 3.869 ( 0.001 1.161 0.000) 1.161 4.108 ( -0.247 -3.915 0.000) 3.923 4.108 ( -0.247 -3.915 0.000) 3.923 4.108 ( 0.247 3.915 0.000) 3.923 4.108 ( 0.247 3.915 0.000) 3.923 4.888 ( -5.067 -0.554 0.000) 5.098 4.888 ( -5.067 -0.554 0.000) 5.098 4.888 ( 5.067 0.554 0.000) 5.098 4.888 ( 5.067 0.554 0.000) 5.098 5.227 ( -0.015 -9.656 0.000) 9.656 5.227 ( -0.015 -9.656 0.000) 9.656 5.227 ( 0.015 9.656 0.000) 9.656 5.227 ( 0.015 9.656 0.000) 9.656 5.459 ( -4.198 -9.158 0.000) 10.074 5.459 ( -4.198 -9.158 0.000) 10.074 5.459 ( 4.198 9.158 0.000) 10.074 5.459 ( 4.198 9.158 0.000) 10.074 5.764 ( -0.080 -5.203 0.000) 5.204 5.764 ( -0.080 -5.203 0.000) 5.204 5.764 ( 0.080 5.203 0.000) 5.204 5.764 ( 0.080 5.203 0.000) 5.204 6.253 ( -6.329 -2.762 0.000) 6.906 6.253 ( -6.329 -2.762 0.000) 6.906 6.253 ( 6.329 2.762 0.000) 6.906 6.253 ( 6.329 2.762 0.000) 6.906 7.493 ( -0.447 -1.104 0.000) 1.191 7.493 ( -0.447 -1.104 0.000) 1.191 7.493 ( 0.447 1.104 0.000) 1.191 7.493 ( 0.447 1.104 0.000) 1.191 7.915 ( -0.007 -1.783 0.000) 1.783 7.915 ( -0.007 -1.783 0.000) 1.783 7.915 ( 0.007 1.783 0.000) 1.783 7.915 ( 0.007 1.783 0.000) 1.783 8.560 ( -2.080 -0.323 0.000) 2.104 8.560 ( -2.080 -0.323 0.000) 2.104 8.560 ( 2.080 0.323 0.000) 2.104 8.560 ( 2.080 0.323 0.000) 2.104 9.063 ( -0.263 -1.646 0.000) 1.667 9.063 ( -0.263 -1.646 0.000) 1.667 9.063 ( 0.263 1.646 0.000) 1.667 9.063 ( 0.263 1.646 0.000) 1.667 9.617 ( -0.226 -6.433 0.000) 6.437 9.617 ( -0.226 -6.433 0.000) 6.437 9.617 ( 0.226 6.433 0.000) 6.437 9.617 ( 0.226 6.433 0.000) 6.437 10.029 ( -1.029 -2.223 0.000) 2.450 10.029 ( -1.029 -2.223 0.000) 2.450 10.029 ( 1.029 2.223 0.000) 2.450 10.029 ( 1.029 2.223 0.000) 2.450 10.310 ( -2.661 -0.497 0.000) 2.707 10.310 ( -2.661 -0.497 0.000) 2.707 10.310 ( 2.661 0.497 0.000) 2.707 10.310 ( 2.661 0.497 0.000) 2.707 10.590 ( -2.097 -4.353 0.000) 4.832 10.590 ( -2.097 -4.353 0.000) 4.832 10.590 ( 2.097 4.353 0.000) 4.832 10.590 ( 2.097 4.353 0.000) 4.832 10.870 ( -0.072 -0.777 0.000) 0.781 10.870 ( -0.072 -0.777 0.000) 0.781 10.870 ( 0.072 0.777 0.000) 0.781 10.870 ( 0.072 0.777 0.000) 0.781 11.401 ( -0.020 -3.428 0.000) 3.428 11.401 ( -0.020 -3.428 0.000) 3.428 11.401 ( 0.020 3.428 0.000) 3.428 11.401 ( 0.020 3.428 0.000) 3.428 11.712 ( -1.818 -2.783 0.000) 3.324 11.712 ( -1.818 -2.783 0.000) 3.324 11.712 ( 1.818 2.783 0.000) 3.324 11.712 ( 1.818 2.783 0.000) 3.324 12.084 ( -0.777 -5.087 0.000) 5.146 12.084 ( -0.777 -5.087 0.000) 5.146 12.084 ( 0.777 5.087 0.000) 5.146 12.084 ( 0.777 5.087 0.000) 5.146 12.482 ( -0.009 -3.053 0.000) 3.053 12.482 ( -0.009 -3.053 0.000) 3.053 12.482 ( 0.009 3.053 0.000) 3.053 12.482 ( 0.009 3.053 0.000) 3.053 12.844 ( -0.000 -5.325 -0.000) 5.325 12.844 ( -0.000 -5.325 0.000) 5.325 12.844 ( 0.000 5.325 0.000) 5.325 12.844 ( 0.000 5.325 0.000) 5.325 13.455 ( -0.331 -8.942 0.000) 8.948 13.455 ( -0.331 -8.942 0.000) 8.948 13.455 ( 0.331 8.942 0.000) 8.948 13.455 ( 0.331 8.942 0.000) 8.948 =================== 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 3/20736 10.0 225.991 186.883 205.786 0.000 0.000 0.000 3/20736 20.0 59.787 41.809 29.889 0.000 0.000 0.000 3/20736 30.0 23.226 19.033 11.989 0.000 0.000 0.000 3/20736 40.0 12.459 11.223 7.010 0.000 0.000 0.000 3/20736 50.0 7.995 7.741 4.924 0.000 0.000 0.000 3/20736 60.0 5.682 5.849 3.813 0.000 0.000 0.000 3/20736 70.0 4.309 4.672 3.120 0.000 0.000 0.000 3/20736 80.0 3.421 3.872 2.643 0.000 0.000 0.000 3/20736 90.0 2.812 3.296 2.293 0.000 0.000 0.000 3/20736 100.0 2.374 2.863 2.024 0.000 0.000 0.000 3/20736 110.0 2.048 2.528 1.811 0.000 0.000 0.000 3/20736 120.0 1.798 2.263 1.639 0.000 0.000 0.000 3/20736 130.0 1.601 2.047 1.496 0.000 0.000 0.000 3/20736 140.0 1.443 1.870 1.377 0.000 0.000 0.000 3/20736 150.0 1.313 1.721 1.275 0.000 0.000 0.000 3/20736 160.0 1.205 1.595 1.188 0.000 0.000 0.000 3/20736 170.0 1.114 1.486 1.112 0.000 0.000 0.000 3/20736 180.0 1.036 1.392 1.045 0.000 0.000 0.000 3/20736 190.0 0.968 1.310 0.986 0.000 0.000 0.000 3/20736 200.0 0.909 1.237 0.934 0.000 0.000 0.000 3/20736 210.0 0.857 1.172 0.887 0.000 0.000 0.000 3/20736 220.0 0.811 1.113 0.844 0.000 0.000 0.000 3/20736 230.0 0.770 1.061 0.806 0.000 0.000 0.000 3/20736 240.0 0.733 1.013 0.771 0.000 0.000 0.000 3/20736 250.0 0.699 0.970 0.739 0.000 0.000 0.000 3/20736 260.0 0.669 0.930 0.709 0.000 0.000 0.000 3/20736 270.0 0.641 0.894 0.682 0.000 0.000 0.000 3/20736 280.0 0.615 0.860 0.657 0.000 0.000 0.000 3/20736 290.0 0.592 0.829 0.634 0.000 0.000 0.000 3/20736 300.0 0.570 0.800 0.612 0.000 0.000 0.000 3/20736 310.0 0.550 0.773 0.592 0.000 0.000 0.000 3/20736 320.0 0.531 0.748 0.573 0.000 0.000 0.000 3/20736 330.0 0.514 0.725 0.555 0.000 0.000 0.000 3/20736 340.0 0.498 0.703 0.538 0.000 0.000 0.000 3/20736 350.0 0.482 0.682 0.523 0.000 0.000 0.000 3/20736 360.0 0.468 0.662 0.508 0.000 0.000 0.000 3/20736 370.0 0.455 0.644 0.494 0.000 0.000 0.000 3/20736 380.0 0.442 0.627 0.481 0.000 0.000 0.000 3/20736 390.0 0.430 0.610 0.468 0.000 0.000 0.000 3/20736 400.0 0.419 0.595 0.457 0.000 0.000 0.000 3/20736 410.0 0.408 0.580 0.445 0.000 0.000 0.000 3/20736 420.0 0.398 0.566 0.435 0.000 0.000 0.000 3/20736 430.0 0.388 0.552 0.424 0.000 0.000 0.000 3/20736 440.0 0.379 0.540 0.415 0.000 0.000 0.000 3/20736 450.0 0.370 0.528 0.405 0.000 0.000 0.000 3/20736 460.0 0.362 0.516 0.396 0.000 0.000 0.000 3/20736 470.0 0.354 0.505 0.388 0.000 0.000 0.000 3/20736 480.0 0.346 0.494 0.380 0.000 0.000 0.000 3/20736 490.0 0.339 0.484 0.372 0.000 0.000 0.000 3/20736 500.0 0.332 0.474 0.365 0.000 0.000 0.000 3/20736 510.0 0.325 0.465 0.357 0.000 0.000 0.000 3/20736 520.0 0.319 0.456 0.350 0.000 0.000 0.000 3/20736 530.0 0.312 0.447 0.344 0.000 0.000 0.000 3/20736 540.0 0.306 0.439 0.337 0.000 0.000 0.000 3/20736 550.0 0.301 0.431 0.331 0.000 0.000 0.000 3/20736 560.0 0.295 0.423 0.325 0.000 0.000 0.000 3/20736 570.0 0.290 0.415 0.320 0.000 0.000 0.000 3/20736 580.0 0.285 0.408 0.314 0.000 0.000 0.000 3/20736 590.0 0.280 0.401 0.309 0.000 0.000 0.000 3/20736 600.0 0.275 0.395 0.304 0.000 0.000 0.000 3/20736 610.0 0.270 0.388 0.299 0.000 0.000 0.000 3/20736 620.0 0.266 0.382 0.294 0.000 0.000 0.000 3/20736 630.0 0.262 0.376 0.289 0.000 0.000 0.000 3/20736 640.0 0.257 0.370 0.285 0.000 0.000 0.000 3/20736 650.0 0.253 0.364 0.280 0.000 0.000 0.000 3/20736 660.0 0.250 0.358 0.276 0.000 0.000 0.000 3/20736 670.0 0.246 0.353 0.272 0.000 0.000 0.000 3/20736 680.0 0.242 0.348 0.268 0.000 0.000 0.000 3/20736 690.0 0.239 0.343 0.264 0.000 0.000 0.000 3/20736 700.0 0.235 0.338 0.260 0.000 0.000 0.000 3/20736 710.0 0.232 0.333 0.256 0.000 0.000 0.000 3/20736 720.0 0.228 0.329 0.253 0.000 0.000 0.000 3/20736 730.0 0.225 0.324 0.249 0.000 0.000 0.000 3/20736 740.0 0.222 0.320 0.246 0.000 0.000 0.000 3/20736 750.0 0.219 0.315 0.243 0.000 0.000 0.000 3/20736 760.0 0.216 0.311 0.240 0.000 0.000 0.000 3/20736 770.0 0.213 0.307 0.236 0.000 0.000 0.000 3/20736 780.0 0.211 0.303 0.233 0.000 0.000 0.000 3/20736 790.0 0.208 0.299 0.230 0.000 0.000 0.000 3/20736 800.0 0.205 0.296 0.228 0.000 0.000 0.000 3/20736 810.0 0.203 0.292 0.225 0.000 0.000 0.000 3/20736 820.0 0.200 0.288 0.222 0.000 0.000 0.000 3/20736 830.0 0.198 0.285 0.219 0.000 0.000 0.000 3/20736 840.0 0.195 0.281 0.217 0.000 0.000 0.000 3/20736 850.0 0.193 0.278 0.214 0.000 0.000 0.000 3/20736 860.0 0.191 0.275 0.212 0.000 0.000 0.000 3/20736 870.0 0.189 0.272 0.209 0.000 0.000 0.000 3/20736 880.0 0.186 0.269 0.207 0.000 0.000 0.000 3/20736 890.0 0.184 0.266 0.205 0.000 0.000 0.000 3/20736 900.0 0.182 0.263 0.202 0.000 0.000 0.000 3/20736 910.0 0.180 0.260 0.200 0.000 0.000 0.000 3/20736 920.0 0.178 0.257 0.198 0.000 0.000 0.000 3/20736 930.0 0.176 0.254 0.196 0.000 0.000 0.000 3/20736 940.0 0.174 0.252 0.194 0.000 0.000 0.000 3/20736 950.0 0.173 0.249 0.192 0.000 0.000 0.000 3/20736 960.0 0.171 0.246 0.190 0.000 0.000 0.000 3/20736 970.0 0.169 0.244 0.188 0.000 0.000 0.000 3/20736 980.0 0.167 0.241 0.186 0.000 0.000 0.000 3/20736 990.0 0.166 0.239 0.184 0.000 0.000 0.000 3/20736 1000.0 0.164 0.236 0.182 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:59:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|