----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:16:03]------------------------- Compiled with OpenMP support (max 32 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785730046555 -2.471031630000000 0.000000000000000 b 5.991785730046555 2.471031630000000 0.000000000000000 c -1.504819682845234 0.000000000000000 5.277143147946213 Atomic positions (fractional): *1 O 0.68797839409823 0.50316511156743 0.46431029982232 15.999 2 O 0.49683488843257 0.31202160590177 0.03568970017768 15.999 3 O 0.31202160590177 0.49683488843257 0.53568970017768 15.999 4 O 0.50316511156743 0.68797839409823 0.96431029982232 15.999 *5 O 0.13722275679464 0.23032680709151 0.17312602500320 15.999 6 O 0.76967319290849 0.86277724320536 0.32687397499680 15.999 7 O 0.86277724320536 0.76967319290849 0.82687397499680 15.999 8 O 0.23032680709151 0.13722275679464 0.67312602500320 15.999 *9 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 10 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 *11 Bi 0.74661297497502 0.25338702502498 0.75000000000000 208.980 12 Bi 0.25338702502498 0.74661297497502 0.25000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.983571460093110 0.000000000000000 0.000000000000000 b 0.000000000000000 4.942063259999999 0.000000000000000 c -1.504819682845234 0.000000000000000 5.277143147946213 Atomic positions (fractional): *1 O 0.59557175283283 0.90759335873460 0.46431029982232 15.999 > 1 2 O 0.90442824716717 0.40759335873460 0.03568970017768 15.999 > 2 3 O 0.90442824716717 0.59240664126540 0.53568970017768 15.999 > 3 4 O 0.59557175283283 0.09240664126540 0.96431029982232 15.999 > 4 *5 O 0.68377478194308 0.54655202514844 0.17312602500320 15.999 > 5 6 O 0.81622521805692 0.04655202514844 0.32687397499680 15.999 > 6 7 O 0.81622521805692 0.95344797485156 0.82687397499680 15.999 > 7 8 O 0.68377478194308 0.45344797485156 0.67312602500320 15.999 > 8 9 O 0.09557175283283 0.40759335873460 0.46431029982232 15.999 > 1 10 O 0.40442824716717 0.90759335873460 0.03568970017768 15.999 > 2 11 O 0.40442824716717 0.09240664126540 0.53568970017768 15.999 > 3 12 O 0.09557175283283 0.59240664126540 0.96431029982232 15.999 > 4 13 O 0.18377478194308 0.04655202514844 0.17312602500320 15.999 > 5 14 O 0.31622521805692 0.54655202514844 0.32687397499680 15.999 > 6 15 O 0.31622521805692 0.45344797485156 0.82687397499680 15.999 > 7 16 O 0.18377478194308 0.95344797485156 0.67312602500320 15.999 > 8 *17 Sb 0.75000000000000 0.25000000000000 0.00000000000000 121.760 > 9 18 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 10 19 Sb 0.25000000000000 0.75000000000000 0.00000000000000 121.760 > 9 20 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 10 *21 Bi 0.00000000000000 0.25338702502498 0.75000000000000 208.980 > 11 22 Bi 0.00000000000000 0.74661297497502 0.25000000000000 208.980 > 12 23 Bi 0.50000000000000 0.75338702502498 0.75000000000000 208.980 > 11 24 Bi 0.50000000000000 0.24661297497502 0.25000000000000 208.980 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.983571460093110 0.000000000000000 0.000000000000000 b 0.000000000000000 14.826189779999998 0.000000000000000 c -3.009639365690468 0.000000000000000 10.554286295892426 Atomic positions (fractional): *1 O 0.59557175283283 0.30253111957820 0.23215514991116 15.999 > 1 2 O 0.59557175283283 0.63586445291153 0.23215514991116 15.999 > 1 3 O 0.59557175283283 0.96919778624487 0.23215514991116 15.999 > 1 4 O 0.59557175283283 0.30253111957820 0.73215514991116 15.999 > 1 5 O 0.59557175283283 0.63586445291153 0.73215514991116 15.999 > 1 6 O 0.59557175283283 0.96919778624487 0.73215514991116 15.999 > 1 7 O 0.90442824716717 0.13586445291153 0.01784485008884 15.999 > 2 8 O 0.90442824716717 0.46919778624487 0.01784485008884 15.999 > 2 9 O 0.90442824716717 0.80253111957820 0.01784485008884 15.999 > 2 10 O 0.90442824716717 0.13586445291153 0.51784485008884 15.999 > 2 11 O 0.90442824716717 0.46919778624487 0.51784485008884 15.999 > 2 12 O 0.90442824716717 0.80253111957820 0.51784485008884 15.999 > 2 13 O 0.90442824716717 0.19746888042180 0.26784485008884 15.999 > 3 14 O 0.90442824716717 0.53080221375513 0.26784485008884 15.999 > 3 15 O 0.90442824716717 0.86413554708847 0.26784485008884 15.999 > 3 16 O 0.90442824716717 0.19746888042180 0.76784485008884 15.999 > 3 17 O 0.90442824716717 0.53080221375513 0.76784485008884 15.999 > 3 18 O 0.90442824716717 0.86413554708847 0.76784485008884 15.999 > 3 19 O 0.59557175283283 0.03080221375513 0.48215514991116 15.999 > 4 20 O 0.59557175283283 0.36413554708847 0.48215514991116 15.999 > 4 21 O 0.59557175283283 0.69746888042180 0.48215514991116 15.999 > 4 22 O 0.59557175283283 0.03080221375513 0.98215514991116 15.999 > 4 23 O 0.59557175283283 0.36413554708847 0.98215514991116 15.999 > 4 24 O 0.59557175283283 0.69746888042180 0.98215514991116 15.999 > 4 *25 O 0.68377478194308 0.18218400838281 0.08656301250160 15.999 > 5 26 O 0.68377478194308 0.51551734171615 0.08656301250160 15.999 > 5 27 O 0.68377478194308 0.84885067504948 0.08656301250160 15.999 > 5 28 O 0.68377478194308 0.18218400838281 0.58656301250160 15.999 > 5 29 O 0.68377478194308 0.51551734171615 0.58656301250160 15.999 > 5 30 O 0.68377478194308 0.84885067504948 0.58656301250160 15.999 > 5 31 O 0.81622521805692 0.01551734171615 0.16343698749840 15.999 > 6 32 O 0.81622521805692 0.34885067504948 0.16343698749840 15.999 > 6 33 O 0.81622521805692 0.68218400838281 0.16343698749840 15.999 > 6 34 O 0.81622521805692 0.01551734171615 0.66343698749840 15.999 > 6 35 O 0.81622521805692 0.34885067504948 0.66343698749840 15.999 > 6 36 O 0.81622521805692 0.68218400838281 0.66343698749840 15.999 > 6 37 O 0.81622521805692 0.31781599161719 0.41343698749840 15.999 > 7 38 O 0.81622521805692 0.65114932495052 0.41343698749840 15.999 > 7 39 O 0.81622521805692 0.98448265828385 0.41343698749840 15.999 > 7 40 O 0.81622521805692 0.31781599161719 0.91343698749840 15.999 > 7 41 O 0.81622521805692 0.65114932495052 0.91343698749840 15.999 > 7 42 O 0.81622521805692 0.98448265828385 0.91343698749840 15.999 > 7 43 O 0.68377478194308 0.15114932495052 0.33656301250160 15.999 > 8 44 O 0.68377478194308 0.48448265828385 0.33656301250160 15.999 > 8 45 O 0.68377478194308 0.81781599161719 0.33656301250160 15.999 > 8 46 O 0.68377478194308 0.15114932495052 0.83656301250160 15.999 > 8 47 O 0.68377478194308 0.48448265828385 0.83656301250160 15.999 > 8 48 O 0.68377478194308 0.81781599161719 0.83656301250160 15.999 > 8 49 O 0.09557175283283 0.13586445291153 0.23215514991116 15.999 > 1 50 O 0.09557175283283 0.46919778624487 0.23215514991116 15.999 > 1 51 O 0.09557175283283 0.80253111957820 0.23215514991116 15.999 > 1 52 O 0.09557175283283 0.13586445291153 0.73215514991116 15.999 > 1 53 O 0.09557175283283 0.46919778624487 0.73215514991116 15.999 > 1 54 O 0.09557175283283 0.80253111957820 0.73215514991116 15.999 > 1 55 O 0.40442824716717 0.30253111957820 0.01784485008884 15.999 > 2 56 O 0.40442824716717 0.63586445291153 0.01784485008884 15.999 > 2 57 O 0.40442824716717 0.96919778624487 0.01784485008884 15.999 > 2 58 O 0.40442824716717 0.30253111957820 0.51784485008884 15.999 > 2 59 O 0.40442824716717 0.63586445291153 0.51784485008884 15.999 > 2 60 O 0.40442824716717 0.96919778624487 0.51784485008884 15.999 > 2 61 O 0.40442824716717 0.03080221375513 0.26784485008884 15.999 > 3 62 O 0.40442824716717 0.36413554708847 0.26784485008884 15.999 > 3 63 O 0.40442824716717 0.69746888042180 0.26784485008884 15.999 > 3 64 O 0.40442824716717 0.03080221375513 0.76784485008884 15.999 > 3 65 O 0.40442824716717 0.36413554708847 0.76784485008884 15.999 > 3 66 O 0.40442824716717 0.69746888042180 0.76784485008884 15.999 > 3 67 O 0.09557175283283 0.19746888042180 0.48215514991116 15.999 > 4 68 O 0.09557175283283 0.53080221375513 0.48215514991116 15.999 > 4 69 O 0.09557175283283 0.86413554708847 0.48215514991116 15.999 > 4 70 O 0.09557175283283 0.19746888042180 0.98215514991116 15.999 > 4 71 O 0.09557175283283 0.53080221375513 0.98215514991116 15.999 > 4 72 O 0.09557175283283 0.86413554708847 0.98215514991116 15.999 > 4 73 O 0.18377478194308 0.01551734171615 0.08656301250160 15.999 > 5 74 O 0.18377478194308 0.34885067504948 0.08656301250160 15.999 > 5 75 O 0.18377478194308 0.68218400838281 0.08656301250160 15.999 > 5 76 O 0.18377478194308 0.01551734171615 0.58656301250160 15.999 > 5 77 O 0.18377478194308 0.34885067504948 0.58656301250160 15.999 > 5 78 O 0.18377478194308 0.68218400838281 0.58656301250160 15.999 > 5 79 O 0.31622521805692 0.18218400838281 0.16343698749840 15.999 > 6 80 O 0.31622521805692 0.51551734171615 0.16343698749840 15.999 > 6 81 O 0.31622521805692 0.84885067504948 0.16343698749840 15.999 > 6 82 O 0.31622521805692 0.18218400838281 0.66343698749840 15.999 > 6 83 O 0.31622521805692 0.51551734171615 0.66343698749840 15.999 > 6 84 O 0.31622521805692 0.84885067504948 0.66343698749840 15.999 > 6 85 O 0.31622521805692 0.15114932495052 0.41343698749840 15.999 > 7 86 O 0.31622521805692 0.48448265828385 0.41343698749840 15.999 > 7 87 O 0.31622521805692 0.81781599161719 0.41343698749840 15.999 > 7 88 O 0.31622521805692 0.15114932495052 0.91343698749840 15.999 > 7 89 O 0.31622521805692 0.48448265828385 0.91343698749840 15.999 > 7 90 O 0.31622521805692 0.81781599161719 0.91343698749840 15.999 > 7 91 O 0.18377478194308 0.31781599161719 0.33656301250160 15.999 > 8 92 O 0.18377478194308 0.65114932495052 0.33656301250160 15.999 > 8 93 O 0.18377478194308 0.98448265828385 0.33656301250160 15.999 > 8 94 O 0.18377478194308 0.31781599161719 0.83656301250160 15.999 > 8 95 O 0.18377478194308 0.65114932495052 0.83656301250160 15.999 > 8 96 O 0.18377478194308 0.98448265828385 0.83656301250160 15.999 > 8 *97 Sb 0.75000000000000 0.08333333333333 0.00000000000000 121.760 > 9 98 Sb 0.75000000000000 0.41666666666667 0.00000000000000 121.760 > 9 99 Sb 0.75000000000000 0.75000000000000 0.00000000000000 121.760 > 9 100 Sb 0.75000000000000 0.08333333333333 0.50000000000000 121.760 > 9 101 Sb 0.75000000000000 0.41666666666667 0.50000000000000 121.760 > 9 102 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 9 103 Sb 0.75000000000000 0.25000000000000 0.25000000000000 121.760 > 10 104 Sb 0.75000000000000 0.58333333333333 0.25000000000000 121.760 > 10 105 Sb 0.75000000000000 0.91666666666667 0.25000000000000 121.760 > 10 106 Sb 0.75000000000000 0.25000000000000 0.75000000000000 121.760 > 10 107 Sb 0.75000000000000 0.58333333333333 0.75000000000000 121.760 > 10 108 Sb 0.75000000000000 0.91666666666667 0.75000000000000 121.760 > 10 109 Sb 0.25000000000000 0.25000000000000 0.00000000000000 121.760 > 9 110 Sb 0.25000000000000 0.58333333333333 0.00000000000000 121.760 > 9 111 Sb 0.25000000000000 0.91666666666667 0.00000000000000 121.760 > 9 112 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 9 113 Sb 0.25000000000000 0.58333333333333 0.50000000000000 121.760 > 9 114 Sb 0.25000000000000 0.91666666666667 0.50000000000000 121.760 > 9 115 Sb 0.25000000000000 0.08333333333333 0.25000000000000 121.760 > 10 116 Sb 0.25000000000000 0.41666666666667 0.25000000000000 121.760 > 10 117 Sb 0.25000000000000 0.75000000000000 0.25000000000000 121.760 > 10 118 Sb 0.25000000000000 0.08333333333333 0.75000000000000 121.760 > 10 119 Sb 0.25000000000000 0.41666666666667 0.75000000000000 121.760 > 10 120 Sb 0.25000000000000 0.75000000000000 0.75000000000000 121.760 > 10 *121 Bi 0.00000000000000 0.08446234167499 0.37500000000000 208.980 > 11 122 Bi 0.00000000000000 0.41779567500833 0.37500000000000 208.980 > 11 123 Bi 0.00000000000000 0.75112900834166 0.37500000000000 208.980 > 11 124 Bi 0.00000000000000 0.08446234167499 0.87500000000000 208.980 > 11 125 Bi 0.00000000000000 0.41779567500833 0.87500000000000 208.980 > 11 126 Bi 0.00000000000000 0.75112900834166 0.87500000000000 208.980 > 11 127 Bi 0.00000000000000 0.24887099165834 0.12500000000000 208.980 > 12 128 Bi 0.00000000000000 0.58220432499167 0.12500000000000 208.980 > 12 129 Bi 0.00000000000000 0.91553765832501 0.12500000000000 208.980 > 12 130 Bi 0.00000000000000 0.24887099165834 0.62500000000000 208.980 > 12 131 Bi 0.00000000000000 0.58220432499167 0.62500000000000 208.980 > 12 132 Bi 0.00000000000000 0.91553765832501 0.62500000000000 208.980 > 12 133 Bi 0.50000000000000 0.25112900834166 0.37500000000000 208.980 > 11 134 Bi 0.50000000000000 0.58446234167499 0.37500000000000 208.980 > 11 135 Bi 0.50000000000000 0.91779567500833 0.37500000000000 208.980 > 11 136 Bi 0.50000000000000 0.25112900834166 0.87500000000000 208.980 > 11 137 Bi 0.50000000000000 0.58446234167499 0.87500000000000 208.980 > 11 138 Bi 0.50000000000000 0.91779567500833 0.87500000000000 208.980 > 11 139 Bi 0.50000000000000 0.08220432499167 0.12500000000000 208.980 > 12 140 Bi 0.50000000000000 0.41553765832501 0.12500000000000 208.980 > 12 141 Bi 0.50000000000000 0.74887099165834 0.12500000000000 208.980 > 12 142 Bi 0.50000000000000 0.08220432499167 0.62500000000000 208.980 > 12 143 Bi 0.50000000000000 0.41553765832501 0.62500000000000 208.980 > 12 144 Bi 0.50000000000000 0.74887099165834 0.62500000000000 208.980 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8417427 0.0000000 -0.1409638 0.0000000 5.3382599 0.0000000 -0.1409629 0.0000000 5.5803112 -------------------------- Born effective charges -------------------------- 1 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 2 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 3 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 4 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 5 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 6 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 7 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 8 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 9 Sb 5.6891673 -0.0609505 0.0398038 0.0186604 4.9813958 -0.8597395 -0.1769138 -0.2136055 5.0810860 10 Sb 5.6891673 0.0609505 0.0398038 -0.0186604 4.9813958 0.8597395 -0.1769138 0.2136055 5.0810860 11 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 12 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2046 Number of blocks in projector: 2046 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2015), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (428, 422), data: True |-- (428, 422), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 0.736 Solver_block: 200 / 400 - Time: 0.709 Solver_block: 300 / 400 - Time: 0.706 Solver_block: 400 / 400 - Time: 0.706 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.907 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2046 Number of blocks in projector: 2046 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2015), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (428, 422), data: True |-- (428, 422), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 05:16:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:16:31]------------------------- Compiled with OpenMP support (max 32 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785730046555 -2.471031630000000 0.000000000000000 b 5.991785730046555 2.471031630000000 0.000000000000000 c -1.504819682845234 0.000000000000000 5.277143147946213 Atomic positions (fractional): 1 O 0.68797839409823 0.50316511156743 0.46431029982232 15.999 2 O 0.49683488843257 0.31202160590177 0.03568970017768 15.999 3 O 0.31202160590177 0.49683488843257 0.53568970017768 15.999 4 O 0.50316511156743 0.68797839409823 0.96431029982232 15.999 5 O 0.13722275679464 0.23032680709151 0.17312602500320 15.999 6 O 0.76967319290849 0.86277724320536 0.32687397499680 15.999 7 O 0.86277724320536 0.76967319290849 0.82687397499680 15.999 8 O 0.23032680709151 0.13722275679464 0.67312602500320 15.999 9 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 10 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 11 Bi 0.74661297497502 0.25338702502498 0.75000000000000 208.980 12 Bi 0.25338702502498 0.74661297497502 0.25000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.983571460093110 0.000000000000000 0.000000000000000 b 0.000000000000000 14.826189779999998 0.000000000000000 c -3.009639365690468 0.000000000000000 10.554286295892426 Atomic positions (fractional): 1 O 0.59557175283283 0.30253111957820 0.23215514991116 15.999 > 1 2 O 0.59557175283283 0.63586445291153 0.23215514991116 15.999 > 1 3 O 0.59557175283283 0.96919778624487 0.23215514991116 15.999 > 1 4 O 0.59557175283283 0.30253111957820 0.73215514991116 15.999 > 1 5 O 0.59557175283283 0.63586445291153 0.73215514991116 15.999 > 1 6 O 0.59557175283283 0.96919778624487 0.73215514991116 15.999 > 1 7 O 0.90442824716717 0.13586445291153 0.01784485008884 15.999 > 7 8 O 0.90442824716717 0.46919778624487 0.01784485008884 15.999 > 7 9 O 0.90442824716717 0.80253111957820 0.01784485008884 15.999 > 7 10 O 0.90442824716717 0.13586445291153 0.51784485008884 15.999 > 7 11 O 0.90442824716717 0.46919778624487 0.51784485008884 15.999 > 7 12 O 0.90442824716717 0.80253111957820 0.51784485008884 15.999 > 7 13 O 0.90442824716717 0.19746888042180 0.26784485008884 15.999 > 13 14 O 0.90442824716717 0.53080221375513 0.26784485008884 15.999 > 13 15 O 0.90442824716717 0.86413554708847 0.26784485008884 15.999 > 13 16 O 0.90442824716717 0.19746888042180 0.76784485008884 15.999 > 13 17 O 0.90442824716717 0.53080221375513 0.76784485008884 15.999 > 13 18 O 0.90442824716717 0.86413554708847 0.76784485008884 15.999 > 13 19 O 0.59557175283283 0.03080221375513 0.48215514991116 15.999 > 19 20 O 0.59557175283283 0.36413554708847 0.48215514991116 15.999 > 19 21 O 0.59557175283283 0.69746888042180 0.48215514991116 15.999 > 19 22 O 0.59557175283283 0.03080221375513 0.98215514991116 15.999 > 19 23 O 0.59557175283283 0.36413554708847 0.98215514991116 15.999 > 19 24 O 0.59557175283283 0.69746888042180 0.98215514991116 15.999 > 19 25 O 0.68377478194308 0.18218400838281 0.08656301250160 15.999 > 25 26 O 0.68377478194308 0.51551734171615 0.08656301250160 15.999 > 25 27 O 0.68377478194308 0.84885067504948 0.08656301250160 15.999 > 25 28 O 0.68377478194308 0.18218400838281 0.58656301250160 15.999 > 25 29 O 0.68377478194308 0.51551734171615 0.58656301250160 15.999 > 25 30 O 0.68377478194308 0.84885067504948 0.58656301250160 15.999 > 25 31 O 0.81622521805692 0.01551734171615 0.16343698749840 15.999 > 31 32 O 0.81622521805692 0.34885067504948 0.16343698749840 15.999 > 31 33 O 0.81622521805692 0.68218400838281 0.16343698749840 15.999 > 31 34 O 0.81622521805692 0.01551734171615 0.66343698749840 15.999 > 31 35 O 0.81622521805692 0.34885067504948 0.66343698749840 15.999 > 31 36 O 0.81622521805692 0.68218400838281 0.66343698749840 15.999 > 31 37 O 0.81622521805692 0.31781599161719 0.41343698749840 15.999 > 37 38 O 0.81622521805692 0.65114932495052 0.41343698749840 15.999 > 37 39 O 0.81622521805692 0.98448265828385 0.41343698749840 15.999 > 37 40 O 0.81622521805692 0.31781599161719 0.91343698749840 15.999 > 37 41 O 0.81622521805692 0.65114932495052 0.91343698749840 15.999 > 37 42 O 0.81622521805692 0.98448265828385 0.91343698749840 15.999 > 37 43 O 0.68377478194308 0.15114932495052 0.33656301250160 15.999 > 43 44 O 0.68377478194308 0.48448265828385 0.33656301250160 15.999 > 43 45 O 0.68377478194308 0.81781599161719 0.33656301250160 15.999 > 43 46 O 0.68377478194308 0.15114932495052 0.83656301250160 15.999 > 43 47 O 0.68377478194308 0.48448265828385 0.83656301250160 15.999 > 43 48 O 0.68377478194308 0.81781599161719 0.83656301250160 15.999 > 43 49 O 0.09557175283283 0.13586445291153 0.23215514991116 15.999 > 1 50 O 0.09557175283283 0.46919778624487 0.23215514991116 15.999 > 1 51 O 0.09557175283283 0.80253111957820 0.23215514991116 15.999 > 1 52 O 0.09557175283283 0.13586445291153 0.73215514991116 15.999 > 1 53 O 0.09557175283283 0.46919778624487 0.73215514991116 15.999 > 1 54 O 0.09557175283283 0.80253111957820 0.73215514991116 15.999 > 1 55 O 0.40442824716717 0.30253111957820 0.01784485008884 15.999 > 7 56 O 0.40442824716717 0.63586445291153 0.01784485008884 15.999 > 7 57 O 0.40442824716717 0.96919778624487 0.01784485008884 15.999 > 7 58 O 0.40442824716717 0.30253111957820 0.51784485008884 15.999 > 7 59 O 0.40442824716717 0.63586445291153 0.51784485008884 15.999 > 7 60 O 0.40442824716717 0.96919778624487 0.51784485008884 15.999 > 7 61 O 0.40442824716717 0.03080221375513 0.26784485008884 15.999 > 13 62 O 0.40442824716717 0.36413554708847 0.26784485008884 15.999 > 13 63 O 0.40442824716717 0.69746888042180 0.26784485008884 15.999 > 13 64 O 0.40442824716717 0.03080221375513 0.76784485008884 15.999 > 13 65 O 0.40442824716717 0.36413554708847 0.76784485008884 15.999 > 13 66 O 0.40442824716717 0.69746888042180 0.76784485008884 15.999 > 13 67 O 0.09557175283283 0.19746888042180 0.48215514991116 15.999 > 19 68 O 0.09557175283283 0.53080221375513 0.48215514991116 15.999 > 19 69 O 0.09557175283283 0.86413554708847 0.48215514991116 15.999 > 19 70 O 0.09557175283283 0.19746888042180 0.98215514991116 15.999 > 19 71 O 0.09557175283283 0.53080221375513 0.98215514991116 15.999 > 19 72 O 0.09557175283283 0.86413554708847 0.98215514991116 15.999 > 19 73 O 0.18377478194308 0.01551734171615 0.08656301250160 15.999 > 25 74 O 0.18377478194308 0.34885067504948 0.08656301250160 15.999 > 25 75 O 0.18377478194308 0.68218400838281 0.08656301250160 15.999 > 25 76 O 0.18377478194308 0.01551734171615 0.58656301250160 15.999 > 25 77 O 0.18377478194308 0.34885067504948 0.58656301250160 15.999 > 25 78 O 0.18377478194308 0.68218400838281 0.58656301250160 15.999 > 25 79 O 0.31622521805692 0.18218400838281 0.16343698749840 15.999 > 31 80 O 0.31622521805692 0.51551734171615 0.16343698749840 15.999 > 31 81 O 0.31622521805692 0.84885067504948 0.16343698749840 15.999 > 31 82 O 0.31622521805692 0.18218400838281 0.66343698749840 15.999 > 31 83 O 0.31622521805692 0.51551734171615 0.66343698749840 15.999 > 31 84 O 0.31622521805692 0.84885067504948 0.66343698749840 15.999 > 31 85 O 0.31622521805692 0.15114932495052 0.41343698749840 15.999 > 37 86 O 0.31622521805692 0.48448265828385 0.41343698749840 15.999 > 37 87 O 0.31622521805692 0.81781599161719 0.41343698749840 15.999 > 37 88 O 0.31622521805692 0.15114932495052 0.91343698749840 15.999 > 37 89 O 0.31622521805692 0.48448265828385 0.91343698749840 15.999 > 37 90 O 0.31622521805692 0.81781599161719 0.91343698749840 15.999 > 37 91 O 0.18377478194308 0.31781599161719 0.33656301250160 15.999 > 43 92 O 0.18377478194308 0.65114932495052 0.33656301250160 15.999 > 43 93 O 0.18377478194308 0.98448265828385 0.33656301250160 15.999 > 43 94 O 0.18377478194308 0.31781599161719 0.83656301250160 15.999 > 43 95 O 0.18377478194308 0.65114932495052 0.83656301250160 15.999 > 43 96 O 0.18377478194308 0.98448265828385 0.83656301250160 15.999 > 43 97 Sb 0.75000000000000 0.08333333333333 0.00000000000000 121.760 > 97 98 Sb 0.75000000000000 0.41666666666667 0.00000000000000 121.760 > 97 99 Sb 0.75000000000000 0.75000000000000 0.00000000000000 121.760 > 97 100 Sb 0.75000000000000 0.08333333333333 0.50000000000000 121.760 > 97 101 Sb 0.75000000000000 0.41666666666667 0.50000000000000 121.760 > 97 102 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 97 103 Sb 0.75000000000000 0.25000000000000 0.25000000000000 121.760 > 103 104 Sb 0.75000000000000 0.58333333333333 0.25000000000000 121.760 > 103 105 Sb 0.75000000000000 0.91666666666667 0.25000000000000 121.760 > 103 106 Sb 0.75000000000000 0.25000000000000 0.75000000000000 121.760 > 103 107 Sb 0.75000000000000 0.58333333333333 0.75000000000000 121.760 > 103 108 Sb 0.75000000000000 0.91666666666667 0.75000000000000 121.760 > 103 109 Sb 0.25000000000000 0.25000000000000 0.00000000000000 121.760 > 97 110 Sb 0.25000000000000 0.58333333333333 0.00000000000000 121.760 > 97 111 Sb 0.25000000000000 0.91666666666667 0.00000000000000 121.760 > 97 112 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 97 113 Sb 0.25000000000000 0.58333333333333 0.50000000000000 121.760 > 97 114 Sb 0.25000000000000 0.91666666666667 0.50000000000000 121.760 > 97 115 Sb 0.25000000000000 0.08333333333333 0.25000000000000 121.760 > 103 116 Sb 0.25000000000000 0.41666666666667 0.25000000000000 121.760 > 103 117 Sb 0.25000000000000 0.75000000000000 0.25000000000000 121.760 > 103 118 Sb 0.25000000000000 0.08333333333333 0.75000000000000 121.760 > 103 119 Sb 0.25000000000000 0.41666666666667 0.75000000000000 121.760 > 103 120 Sb 0.25000000000000 0.75000000000000 0.75000000000000 121.760 > 103 121 Bi 0.00000000000000 0.08446234167499 0.37500000000000 208.980 > 121 122 Bi 0.00000000000000 0.41779567500833 0.37500000000000 208.980 > 121 123 Bi 0.00000000000000 0.75112900834166 0.37500000000000 208.980 > 121 124 Bi 0.00000000000000 0.08446234167499 0.87500000000000 208.980 > 121 125 Bi 0.00000000000000 0.41779567500833 0.87500000000000 208.980 > 121 126 Bi 0.00000000000000 0.75112900834166 0.87500000000000 208.980 > 121 127 Bi 0.00000000000000 0.24887099165834 0.12500000000000 208.980 > 127 128 Bi 0.00000000000000 0.58220432499167 0.12500000000000 208.980 > 127 129 Bi 0.00000000000000 0.91553765832501 0.12500000000000 208.980 > 127 130 Bi 0.00000000000000 0.24887099165834 0.62500000000000 208.980 > 127 131 Bi 0.00000000000000 0.58220432499167 0.62500000000000 208.980 > 127 132 Bi 0.00000000000000 0.91553765832501 0.62500000000000 208.980 > 127 133 Bi 0.50000000000000 0.25112900834166 0.37500000000000 208.980 > 121 134 Bi 0.50000000000000 0.58446234167499 0.37500000000000 208.980 > 121 135 Bi 0.50000000000000 0.91779567500833 0.37500000000000 208.980 > 121 136 Bi 0.50000000000000 0.25112900834166 0.87500000000000 208.980 > 121 137 Bi 0.50000000000000 0.58446234167499 0.87500000000000 208.980 > 121 138 Bi 0.50000000000000 0.91779567500833 0.87500000000000 208.980 > 121 139 Bi 0.50000000000000 0.08220432499167 0.12500000000000 208.980 > 127 140 Bi 0.50000000000000 0.41553765832501 0.12500000000000 208.980 > 127 141 Bi 0.50000000000000 0.74887099165834 0.12500000000000 208.980 > 127 142 Bi 0.50000000000000 0.08220432499167 0.62500000000000 208.980 > 127 143 Bi 0.50000000000000 0.41553765832501 0.62500000000000 208.980 > 127 144 Bi 0.50000000000000 0.74887099165834 0.62500000000000 208.980 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8417427 0.0000000 -0.1409638 0.0000000 5.3382599 0.0000000 -0.1409629 0.0000000 5.5803112 -------------------------- Born effective charges -------------------------- 1 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 2 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 3 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 4 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 5 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 6 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 7 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 8 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 9 Sb 5.6891673 -0.0609505 0.0398038 0.0186604 4.9813958 -0.8597395 -0.1769138 -0.2136055 5.0810860 10 Sb 5.6891673 0.0609505 0.0398038 -0.0186604 4.9813958 0.8597395 -0.1769138 0.2136055 5.0810860 11 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 12 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zx) 0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:16:59]------------------------- Compiled with OpenMP support (max 32 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.991785730046555 -2.471031630000000 0.000000000000000 b 5.991785730046555 2.471031630000000 0.000000000000000 c -1.504819682845234 0.000000000000000 5.277143147946213 Atomic positions (fractional): 1 O 0.68797839409823 0.50316511156743 0.46431029982232 15.999 2 O 0.49683488843257 0.31202160590177 0.03568970017768 15.999 3 O 0.31202160590177 0.49683488843257 0.53568970017768 15.999 4 O 0.50316511156743 0.68797839409823 0.96431029982232 15.999 5 O 0.13722275679464 0.23032680709151 0.17312602500320 15.999 6 O 0.76967319290849 0.86277724320536 0.32687397499680 15.999 7 O 0.86277724320536 0.76967319290849 0.82687397499680 15.999 8 O 0.23032680709151 0.13722275679464 0.67312602500320 15.999 9 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 10 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 11 Bi 0.74661297497502 0.25338702502498 0.75000000000000 208.980 12 Bi 0.25338702502498 0.74661297497502 0.25000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.983571460093110 0.000000000000000 0.000000000000000 b 0.000000000000000 14.826189779999998 0.000000000000000 c -3.009639365690468 0.000000000000000 10.554286295892426 Atomic positions (fractional): 1 O 0.59557175283283 0.30253111957820 0.23215514991116 15.999 > 1 2 O 0.59557175283283 0.63586445291153 0.23215514991116 15.999 > 1 3 O 0.59557175283283 0.96919778624487 0.23215514991116 15.999 > 1 4 O 0.59557175283283 0.30253111957820 0.73215514991116 15.999 > 1 5 O 0.59557175283283 0.63586445291153 0.73215514991116 15.999 > 1 6 O 0.59557175283283 0.96919778624487 0.73215514991116 15.999 > 1 7 O 0.90442824716717 0.13586445291153 0.01784485008884 15.999 > 7 8 O 0.90442824716717 0.46919778624487 0.01784485008884 15.999 > 7 9 O 0.90442824716717 0.80253111957820 0.01784485008884 15.999 > 7 10 O 0.90442824716717 0.13586445291153 0.51784485008884 15.999 > 7 11 O 0.90442824716717 0.46919778624487 0.51784485008884 15.999 > 7 12 O 0.90442824716717 0.80253111957820 0.51784485008884 15.999 > 7 13 O 0.90442824716717 0.19746888042180 0.26784485008884 15.999 > 13 14 O 0.90442824716717 0.53080221375513 0.26784485008884 15.999 > 13 15 O 0.90442824716717 0.86413554708847 0.26784485008884 15.999 > 13 16 O 0.90442824716717 0.19746888042180 0.76784485008884 15.999 > 13 17 O 0.90442824716717 0.53080221375513 0.76784485008884 15.999 > 13 18 O 0.90442824716717 0.86413554708847 0.76784485008884 15.999 > 13 19 O 0.59557175283283 0.03080221375513 0.48215514991116 15.999 > 19 20 O 0.59557175283283 0.36413554708847 0.48215514991116 15.999 > 19 21 O 0.59557175283283 0.69746888042180 0.48215514991116 15.999 > 19 22 O 0.59557175283283 0.03080221375513 0.98215514991116 15.999 > 19 23 O 0.59557175283283 0.36413554708847 0.98215514991116 15.999 > 19 24 O 0.59557175283283 0.69746888042180 0.98215514991116 15.999 > 19 25 O 0.68377478194308 0.18218400838281 0.08656301250160 15.999 > 25 26 O 0.68377478194308 0.51551734171615 0.08656301250160 15.999 > 25 27 O 0.68377478194308 0.84885067504948 0.08656301250160 15.999 > 25 28 O 0.68377478194308 0.18218400838281 0.58656301250160 15.999 > 25 29 O 0.68377478194308 0.51551734171615 0.58656301250160 15.999 > 25 30 O 0.68377478194308 0.84885067504948 0.58656301250160 15.999 > 25 31 O 0.81622521805692 0.01551734171615 0.16343698749840 15.999 > 31 32 O 0.81622521805692 0.34885067504948 0.16343698749840 15.999 > 31 33 O 0.81622521805692 0.68218400838281 0.16343698749840 15.999 > 31 34 O 0.81622521805692 0.01551734171615 0.66343698749840 15.999 > 31 35 O 0.81622521805692 0.34885067504948 0.66343698749840 15.999 > 31 36 O 0.81622521805692 0.68218400838281 0.66343698749840 15.999 > 31 37 O 0.81622521805692 0.31781599161719 0.41343698749840 15.999 > 37 38 O 0.81622521805692 0.65114932495052 0.41343698749840 15.999 > 37 39 O 0.81622521805692 0.98448265828385 0.41343698749840 15.999 > 37 40 O 0.81622521805692 0.31781599161719 0.91343698749840 15.999 > 37 41 O 0.81622521805692 0.65114932495052 0.91343698749840 15.999 > 37 42 O 0.81622521805692 0.98448265828385 0.91343698749840 15.999 > 37 43 O 0.68377478194308 0.15114932495052 0.33656301250160 15.999 > 43 44 O 0.68377478194308 0.48448265828385 0.33656301250160 15.999 > 43 45 O 0.68377478194308 0.81781599161719 0.33656301250160 15.999 > 43 46 O 0.68377478194308 0.15114932495052 0.83656301250160 15.999 > 43 47 O 0.68377478194308 0.48448265828385 0.83656301250160 15.999 > 43 48 O 0.68377478194308 0.81781599161719 0.83656301250160 15.999 > 43 49 O 0.09557175283283 0.13586445291153 0.23215514991116 15.999 > 1 50 O 0.09557175283283 0.46919778624487 0.23215514991116 15.999 > 1 51 O 0.09557175283283 0.80253111957820 0.23215514991116 15.999 > 1 52 O 0.09557175283283 0.13586445291153 0.73215514991116 15.999 > 1 53 O 0.09557175283283 0.46919778624487 0.73215514991116 15.999 > 1 54 O 0.09557175283283 0.80253111957820 0.73215514991116 15.999 > 1 55 O 0.40442824716717 0.30253111957820 0.01784485008884 15.999 > 7 56 O 0.40442824716717 0.63586445291153 0.01784485008884 15.999 > 7 57 O 0.40442824716717 0.96919778624487 0.01784485008884 15.999 > 7 58 O 0.40442824716717 0.30253111957820 0.51784485008884 15.999 > 7 59 O 0.40442824716717 0.63586445291153 0.51784485008884 15.999 > 7 60 O 0.40442824716717 0.96919778624487 0.51784485008884 15.999 > 7 61 O 0.40442824716717 0.03080221375513 0.26784485008884 15.999 > 13 62 O 0.40442824716717 0.36413554708847 0.26784485008884 15.999 > 13 63 O 0.40442824716717 0.69746888042180 0.26784485008884 15.999 > 13 64 O 0.40442824716717 0.03080221375513 0.76784485008884 15.999 > 13 65 O 0.40442824716717 0.36413554708847 0.76784485008884 15.999 > 13 66 O 0.40442824716717 0.69746888042180 0.76784485008884 15.999 > 13 67 O 0.09557175283283 0.19746888042180 0.48215514991116 15.999 > 19 68 O 0.09557175283283 0.53080221375513 0.48215514991116 15.999 > 19 69 O 0.09557175283283 0.86413554708847 0.48215514991116 15.999 > 19 70 O 0.09557175283283 0.19746888042180 0.98215514991116 15.999 > 19 71 O 0.09557175283283 0.53080221375513 0.98215514991116 15.999 > 19 72 O 0.09557175283283 0.86413554708847 0.98215514991116 15.999 > 19 73 O 0.18377478194308 0.01551734171615 0.08656301250160 15.999 > 25 74 O 0.18377478194308 0.34885067504948 0.08656301250160 15.999 > 25 75 O 0.18377478194308 0.68218400838281 0.08656301250160 15.999 > 25 76 O 0.18377478194308 0.01551734171615 0.58656301250160 15.999 > 25 77 O 0.18377478194308 0.34885067504948 0.58656301250160 15.999 > 25 78 O 0.18377478194308 0.68218400838281 0.58656301250160 15.999 > 25 79 O 0.31622521805692 0.18218400838281 0.16343698749840 15.999 > 31 80 O 0.31622521805692 0.51551734171615 0.16343698749840 15.999 > 31 81 O 0.31622521805692 0.84885067504948 0.16343698749840 15.999 > 31 82 O 0.31622521805692 0.18218400838281 0.66343698749840 15.999 > 31 83 O 0.31622521805692 0.51551734171615 0.66343698749840 15.999 > 31 84 O 0.31622521805692 0.84885067504948 0.66343698749840 15.999 > 31 85 O 0.31622521805692 0.15114932495052 0.41343698749840 15.999 > 37 86 O 0.31622521805692 0.48448265828385 0.41343698749840 15.999 > 37 87 O 0.31622521805692 0.81781599161719 0.41343698749840 15.999 > 37 88 O 0.31622521805692 0.15114932495052 0.91343698749840 15.999 > 37 89 O 0.31622521805692 0.48448265828385 0.91343698749840 15.999 > 37 90 O 0.31622521805692 0.81781599161719 0.91343698749840 15.999 > 37 91 O 0.18377478194308 0.31781599161719 0.33656301250160 15.999 > 43 92 O 0.18377478194308 0.65114932495052 0.33656301250160 15.999 > 43 93 O 0.18377478194308 0.98448265828385 0.33656301250160 15.999 > 43 94 O 0.18377478194308 0.31781599161719 0.83656301250160 15.999 > 43 95 O 0.18377478194308 0.65114932495052 0.83656301250160 15.999 > 43 96 O 0.18377478194308 0.98448265828385 0.83656301250160 15.999 > 43 97 Sb 0.75000000000000 0.08333333333333 0.00000000000000 121.760 > 97 98 Sb 0.75000000000000 0.41666666666667 0.00000000000000 121.760 > 97 99 Sb 0.75000000000000 0.75000000000000 0.00000000000000 121.760 > 97 100 Sb 0.75000000000000 0.08333333333333 0.50000000000000 121.760 > 97 101 Sb 0.75000000000000 0.41666666666667 0.50000000000000 121.760 > 97 102 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 97 103 Sb 0.75000000000000 0.25000000000000 0.25000000000000 121.760 > 103 104 Sb 0.75000000000000 0.58333333333333 0.25000000000000 121.760 > 103 105 Sb 0.75000000000000 0.91666666666667 0.25000000000000 121.760 > 103 106 Sb 0.75000000000000 0.25000000000000 0.75000000000000 121.760 > 103 107 Sb 0.75000000000000 0.58333333333333 0.75000000000000 121.760 > 103 108 Sb 0.75000000000000 0.91666666666667 0.75000000000000 121.760 > 103 109 Sb 0.25000000000000 0.25000000000000 0.00000000000000 121.760 > 97 110 Sb 0.25000000000000 0.58333333333333 0.00000000000000 121.760 > 97 111 Sb 0.25000000000000 0.91666666666667 0.00000000000000 121.760 > 97 112 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 97 113 Sb 0.25000000000000 0.58333333333333 0.50000000000000 121.760 > 97 114 Sb 0.25000000000000 0.91666666666667 0.50000000000000 121.760 > 97 115 Sb 0.25000000000000 0.08333333333333 0.25000000000000 121.760 > 103 116 Sb 0.25000000000000 0.41666666666667 0.25000000000000 121.760 > 103 117 Sb 0.25000000000000 0.75000000000000 0.25000000000000 121.760 > 103 118 Sb 0.25000000000000 0.08333333333333 0.75000000000000 121.760 > 103 119 Sb 0.25000000000000 0.41666666666667 0.75000000000000 121.760 > 103 120 Sb 0.25000000000000 0.75000000000000 0.75000000000000 121.760 > 103 121 Bi 0.00000000000000 0.08446234167499 0.37500000000000 208.980 > 121 122 Bi 0.00000000000000 0.41779567500833 0.37500000000000 208.980 > 121 123 Bi 0.00000000000000 0.75112900834166 0.37500000000000 208.980 > 121 124 Bi 0.00000000000000 0.08446234167499 0.87500000000000 208.980 > 121 125 Bi 0.00000000000000 0.41779567500833 0.87500000000000 208.980 > 121 126 Bi 0.00000000000000 0.75112900834166 0.87500000000000 208.980 > 121 127 Bi 0.00000000000000 0.24887099165834 0.12500000000000 208.980 > 127 128 Bi 0.00000000000000 0.58220432499167 0.12500000000000 208.980 > 127 129 Bi 0.00000000000000 0.91553765832501 0.12500000000000 208.980 > 127 130 Bi 0.00000000000000 0.24887099165834 0.62500000000000 208.980 > 127 131 Bi 0.00000000000000 0.58220432499167 0.62500000000000 208.980 > 127 132 Bi 0.00000000000000 0.91553765832501 0.62500000000000 208.980 > 127 133 Bi 0.50000000000000 0.25112900834166 0.37500000000000 208.980 > 121 134 Bi 0.50000000000000 0.58446234167499 0.37500000000000 208.980 > 121 135 Bi 0.50000000000000 0.91779567500833 0.37500000000000 208.980 > 121 136 Bi 0.50000000000000 0.25112900834166 0.87500000000000 208.980 > 121 137 Bi 0.50000000000000 0.58446234167499 0.87500000000000 208.980 > 121 138 Bi 0.50000000000000 0.91779567500833 0.87500000000000 208.980 > 121 139 Bi 0.50000000000000 0.08220432499167 0.12500000000000 208.980 > 127 140 Bi 0.50000000000000 0.41553765832501 0.12500000000000 208.980 > 127 141 Bi 0.50000000000000 0.74887099165834 0.12500000000000 208.980 > 127 142 Bi 0.50000000000000 0.08220432499167 0.62500000000000 208.980 > 127 143 Bi 0.50000000000000 0.41553765832501 0.62500000000000 208.980 > 127 144 Bi 0.50000000000000 0.74887099165834 0.62500000000000 208.980 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8417427 0.0000000 -0.1409638 0.0000000 5.3382599 0.0000000 -0.1409629 0.0000000 5.5803112 -------------------------- Born effective charges -------------------------- 1 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 2 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 3 O -2.9641841 0.5423096 0.2010762 0.6109570 -2.2943247 0.5290397 0.1984784 0.9761574 -2.2469662 4 O -2.9641841 -0.5423096 0.2010762 -0.6109570 -2.2943247 -0.5290397 0.1984784 -0.9761574 -2.2469662 5 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 6 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 7 O -2.2892877 0.0578828 -0.0369416 0.0788483 -2.3324635 -0.5508497 0.0108402 -0.7553430 -2.5963273 8 O -2.2892877 -0.0578828 -0.0369416 -0.0788483 -2.3324635 0.5508497 0.0108402 0.7553430 -2.5963273 9 Sb 5.6891673 -0.0609505 0.0398038 0.0186604 4.9813958 -0.8597395 -0.1769138 -0.2136055 5.0810860 10 Sb 5.6891673 0.0609505 0.0398038 -0.0186604 4.9813958 0.8597395 -0.1769138 0.2136055 5.0810860 11 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 12 Bi 4.8177765 0.0000000 -0.3680730 0.0000000 4.2721807 0.0000000 -0.2417234 0.0000000 4.6055010 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 11 11 9 ] 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: 0.77, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/300) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 13.338 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 15.354 ( 0.000 0.000 0.000) 0.000 17.039 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.258 ( 0.000 0.000 0.000) 0.000 18.876 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 0.000) 0.000 20.627 ( 0.000 0.000 0.000) 0.000 21.668 ( 0.000 0.000 0.000) 0.000 22.355 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/300) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 17.937 -18.983 -4.359) 26.478 0.659 ( 11.443 -29.230 1.186) 31.412 0.891 ( 13.289 -39.873 -1.487) 42.056 1.771 ( 4.541 -6.051 1.922) 7.806 2.279 ( -1.575 -8.987 5.204) 10.504 3.691 ( -6.977 -6.320 -1.586) 9.546 4.098 ( -5.020 2.154 -1.613) 5.696 4.136 ( -1.556 -0.812 2.449) 3.013 4.668 ( -2.683 2.205 -1.116) 3.648 4.724 ( 31.319 17.156 19.717) 40.792 5.578 ( 14.219 1.741 -9.593) 17.241 5.960 ( -10.557 -2.166 -3.761) 11.414 6.280 ( 12.617 -0.270 1.695) 12.733 7.044 ( -4.749 -1.288 -9.877) 11.035 7.411 ( 5.252 4.860 9.377) 11.795 7.829 ( 0.711 3.042 0.207) 3.131 8.107 ( 0.451 5.444 2.206) 5.892 8.989 ( -19.492 -3.754 -6.908) 21.018 9.221 ( -1.805 -3.354 -0.215) 3.815 9.918 ( -70.821 -25.701 -13.292) 76.504 11.405 ( 1.700 2.967 -19.004) 19.309 11.637 ( -4.843 -2.113 1.191) 5.417 11.907 ( -8.089 -9.141 -21.824) 25.006 12.130 ( 1.549 -5.107 1.263) 5.484 13.165 ( 94.879 47.967 32.874) 111.281 13.409 ( 0.085 -7.098 3.153) 7.768 14.010 ( 1.717 3.049 0.192) 3.505 15.518 ( -3.032 3.599 -1.066) 4.825 17.077 ( -1.091 -4.324 0.308) 4.470 18.041 ( 7.713 12.337 8.279) 16.740 18.367 ( -2.592 -5.591 3.148) 6.921 19.645 ( -29.903 -10.421 2.362) 31.754 20.532 ( 4.537 11.063 0.538) 11.970 21.637 ( 23.250 12.342 -0.926) 26.339 21.930 ( -8.087 -12.651 -4.920) 15.800 22.349 ( 0.417 0.980 1.531) 1.865 ======================= Grid point 2 (3/300) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 14.710 -16.651 -2.649) 22.375 1.228 ( 10.236 -22.819 2.768) 25.163 1.559 ( -0.382 -25.723 -7.396) 26.768 2.050 ( 17.174 -15.470 4.568) 23.561 2.535 ( -1.059 -18.609 5.251) 19.364 3.783 ( -2.924 -7.946 -1.062) 8.533 3.971 ( -8.687 4.916 -2.406) 10.268 4.147 ( -1.208 -0.566 2.894) 3.187 4.585 ( -4.744 2.655 -0.965) 5.521 4.698 ( 10.509 5.774 8.835) 14.895 5.665 ( 9.451 -2.475 -0.655) 9.792 5.928 ( -8.018 -2.485 -3.978) 9.289 6.321 ( 4.716 3.753 -2.960) 6.715 7.050 ( 0.486 -4.443 -10.633) 11.534 7.366 ( 6.482 7.682 14.157) 17.363 7.761 ( 1.512 5.034 -1.024) 5.355 7.993 ( 1.214 7.616 2.192) 8.018 8.843 ( -10.073 5.960 -3.945) 12.351 9.264 ( -2.650 -2.760 -1.208) 4.012 9.802 ( -38.269 -9.637 -7.414) 40.154 11.326 ( -1.596 2.303 -6.648) 7.215 11.639 ( -7.545 -3.910 -3.675) 9.258 11.972 ( 2.595 -3.603 -11.400) 12.234 12.258 ( 2.512 -6.705 -1.998) 7.434 13.036 ( 38.994 26.810 17.042) 50.296 13.596 ( -0.409 -11.491 5.642) 12.808 13.943 ( 2.135 5.829 0.135) 6.209 15.400 ( -2.664 6.277 0.190) 6.821 17.168 ( -3.187 -6.668 1.844) 7.617 17.902 ( 9.162 11.319 8.641) 16.933 18.411 ( -3.489 -1.028 -1.146) 3.813 19.601 ( -22.909 -6.367 -1.169) 23.806 20.345 ( 10.043 14.163 2.753) 17.579 21.562 ( 16.757 11.710 -5.301) 21.120 22.114 ( -9.603 -14.689 -2.117) 17.677 22.338 ( 2.120 1.606 3.439) 4.348 ======================= Grid point 3 (4/300) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 10.540 -14.406 -0.423) 17.855 1.667 ( 8.157 -16.798 4.029) 19.104 1.863 ( -3.493 -13.654 -5.748) 15.221 2.484 ( 17.122 -12.578 -0.917) 21.265 2.942 ( 0.062 -23.187 6.678) 24.130 3.744 ( -11.776 6.461 -2.934) 13.749 3.975 ( -0.792 -9.632 -2.126) 9.895 4.146 ( 0.051 -0.062 1.200) 1.203 4.530 ( -2.568 -0.726 0.218) 2.677 4.721 ( 2.283 -1.548 4.572) 5.340 5.786 ( 5.492 -2.454 3.386) 6.902 5.895 ( -2.546 0.856 -0.901) 2.834 6.235 ( -4.710 1.950 -8.625) 10.019 7.139 ( 7.337 -1.332 -6.981) 10.215 7.296 ( 4.860 6.696 14.936) 17.075 7.671 ( 2.033 5.483 -3.873) 7.014 7.871 ( 0.517 6.579 3.969) 7.700 8.621 ( -7.077 9.420 -3.193) 12.207 9.265 ( -2.421 0.039 -3.837) 4.537 9.673 ( -25.833 -4.387 -4.398) 26.569 11.271 ( -1.580 1.580 -1.185) 2.529 11.655 ( -6.352 -4.485 -5.131) 9.316 12.026 ( 1.588 -3.039 -7.760) 8.483 12.393 ( 4.790 -5.698 -6.521) 9.897 12.857 ( 17.895 19.241 13.166) 29.390 13.813 ( -0.698 -5.477 4.534) 7.144 13.835 ( 0.390 2.102 2.065) 2.972 15.263 ( -2.021 6.350 -0.388) 6.675 17.279 ( -4.096 -7.717 5.139) 10.136 17.809 ( 9.364 8.204 7.223) 14.393 18.340 ( -2.947 5.341 -4.059) 7.327 19.523 ( -18.403 -2.548 -1.826) 18.668 20.218 ( 11.166 8.752 5.149) 15.093 21.434 ( 7.846 10.521 -9.292) 16.081 22.293 ( -8.567 -11.932 -1.527) 14.769 22.344 ( 6.312 1.844 5.125) 8.337 ======================= Grid point 4 (5/300) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 6.333 -11.108 0.872) 12.816 1.987 ( 2.771 -11.198 2.436) 11.790 2.033 ( 0.771 -8.175 -1.018) 8.274 2.734 ( 13.830 -4.018 -5.183) 15.306 3.301 ( -7.296 -8.586 6.684) 13.101 3.591 ( -5.091 -5.461 -1.341) 7.585 4.030 ( -2.170 1.526 3.366) 4.286 4.208 ( -0.337 -5.141 -10.415) 11.620 4.589 ( 1.089 -4.668 2.265) 5.301 4.802 ( -0.192 -5.285 1.676) 5.548 5.765 ( -5.659 2.070 -1.136) 6.132 5.893 ( 9.935 5.948 7.080) 13.572 6.238 ( -8.565 -11.207 -7.162) 15.819 7.057 ( 7.230 14.002 1.260) 15.808 7.332 ( 4.925 -1.679 6.180) 8.079 7.579 ( 0.806 4.316 -4.929) 6.601 7.795 ( -0.102 2.734 4.775) 5.503 8.411 ( -4.056 7.355 -2.250) 8.696 9.215 ( -1.840 1.987 -6.321) 6.877 9.561 ( -16.075 -1.609 -1.014) 16.187 11.237 ( -1.070 0.934 0.560) 1.526 11.679 ( -3.654 -3.045 -3.765) 6.066 12.085 ( -2.370 -5.382 -5.459) 8.024 12.487 ( 13.073 2.494 -11.999) 17.919 12.693 ( 1.187 7.457 14.324) 16.192 13.677 ( -0.082 8.421 0.216) 8.424 13.997 ( -2.252 -7.653 5.390) 9.628 15.146 ( -1.181 4.637 -1.271) 4.951 17.418 ( -1.767 -8.194 8.656) 12.049 17.771 ( 6.169 3.674 3.575) 8.021 18.168 ( -2.268 9.461 -6.130) 11.499 19.420 ( -9.923 1.113 -0.883) 10.024 20.208 ( 6.750 1.732 5.507) 8.882 21.271 ( 1.994 8.354 -9.647) 12.916 22.353 ( 0.579 -0.584 2.659) 2.783 22.439 ( -0.061 -5.713 0.678) 5.753 ======================= Grid point 5 (6/300) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.167 -4.562 0.613) 5.087 2.085 ( -0.665 -2.103 -1.459) 2.644 2.200 ( 1.490 -4.645 2.970) 5.711 2.882 ( 12.550 -2.833 -4.989) 13.799 3.176 ( -12.874 4.874 2.638) 14.017 3.838 ( 3.111 -11.808 2.432) 12.450 3.979 ( -3.613 2.602 4.460) 6.302 4.227 ( 0.590 -0.006 -9.496) 9.515 4.644 ( -0.399 -0.438 0.885) 1.065 4.893 ( -0.110 -3.253 0.187) 3.260 5.714 ( -2.846 -0.513 -0.332) 2.911 5.845 ( 4.541 4.701 2.590) 7.030 6.444 ( -5.759 -15.363 -0.925) 16.433 6.814 ( 5.470 15.824 0.280) 16.745 7.394 ( 3.009 -0.470 2.469) 3.920 7.514 ( -0.963 1.623 -2.024) 2.767 7.779 ( 0.020 0.265 2.042) 2.059 8.295 ( -1.161 2.546 -0.865) 2.929 9.160 ( -0.719 1.158 -3.460) 3.719 9.493 ( -5.600 -0.254 0.273) 5.612 11.221 ( -0.385 0.312 0.362) 0.613 11.692 ( -1.078 -0.943 -1.305) 1.938 12.159 ( -3.815 -5.311 -2.338) 6.945 12.422 ( 9.374 8.384 -2.950) 12.918 12.697 ( -2.007 -2.664 3.623) 4.925 13.548 ( -0.398 4.276 0.193) 4.298 14.086 ( -1.113 -2.611 2.144) 3.557 15.078 ( -0.366 1.699 -0.778) 1.904 17.567 ( 1.101 -4.778 6.955) 8.510 17.791 ( 0.772 -3.162 0.762) 3.343 17.957 ( -0.924 9.716 -5.405) 11.157 19.348 ( -2.832 0.985 -0.177) 3.003 20.247 ( 2.111 -0.417 2.634) 3.401 21.147 ( 0.037 3.445 -4.394) 5.584 22.368 ( 0.622 -0.089 1.112) 1.277 22.512 ( -0.100 -2.055 0.190) 2.066 ======================= Grid point 12 (7/300) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 23.540 0.000 -2.507) 23.673 0.358 ( 21.096 0.000 5.491) 21.799 0.847 ( 56.402 0.000 -4.224) 56.560 1.712 ( 1.690 0.000 -0.058) 1.691 2.192 ( -5.439 -0.000 10.915) 12.195 3.546 ( -1.583 -0.000 -0.170) 1.592 4.090 ( -7.866 -0.000 2.430) 8.233 4.098 ( -2.918 -0.000 -0.949) 3.068 4.645 ( -5.765 -0.000 -3.271) 6.628 5.335 ( -7.841 -0.000 44.666) 45.349 5.833 ( -11.684 -0.000 -5.095) 12.747 6.401 ( 17.501 0.000 0.840) 17.521 6.599 ( 1.736 0.000 -42.621) 42.656 7.017 ( 0.025 0.000 -20.705) 20.705 7.268 ( 2.230 0.000 4.627) 5.136 7.568 ( 4.732 0.000 11.043) 12.014 7.870 ( 1.523 0.000 1.087) 1.871 8.198 ( 6.443 0.000 -11.742) 13.394 9.163 ( -3.776 -0.000 -0.222) 3.782 9.304 ( -8.407 -0.000 -2.462) 8.760 11.345 ( -8.474 -0.000 -15.014) 17.240 11.707 ( -1.067 -0.000 -2.209) 2.453 11.760 ( 15.600 0.000 -12.914) 20.252 12.109 ( 4.053 0.000 3.247) 5.193 13.340 ( -1.935 -0.000 7.132) 7.390 14.014 ( -2.046 -0.000 0.065) 2.047 15.108 ( 10.221 0.000 -35.163) 36.619 15.341 ( -1.742 -0.000 -0.115) 1.746 17.031 ( -1.297 -0.000 1.253) 1.803 18.106 ( -7.719 -0.000 6.921) 10.367 18.684 ( -15.349 -0.000 55.692) 57.769 18.903 ( 4.470 0.000 -4.850) 6.596 20.674 ( 6.075 0.000 -0.255) 6.080 21.560 ( -11.019 -0.000 -2.109) 11.219 22.184 ( 14.293 0.000 -12.916) 19.264 22.342 ( -1.669 -0.000 -0.120) 1.673 ======================= Grid point 13 (8/300) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 17.090 -19.637 -13.975) 29.546 0.897 ( 10.623 -25.321 11.016) 29.586 1.304 ( 35.785 -7.386 -4.672) 36.837 1.900 ( 13.444 -14.940 1.647) 20.166 2.265 ( -3.880 -10.120 8.111) 13.537 3.605 ( -4.264 -7.137 -1.062) 8.381 3.981 ( -10.130 3.816 0.384) 10.831 4.096 ( -4.613 -2.318 1.344) 5.334 4.555 ( -8.438 2.814 -4.487) 9.963 5.174 ( 9.329 22.523 31.313) 39.685 5.775 ( -6.241 -1.579 -6.264) 8.983 5.845 ( 18.745 17.121 -15.877) 29.943 6.476 ( 9.851 6.589 -2.697) 12.155 6.934 ( 0.347 -5.218 -11.285) 12.438 7.565 ( 7.113 4.364 12.400) 14.947 7.847 ( 0.787 2.669 0.912) 2.928 8.125 ( -3.093 1.154 9.306) 9.874 8.430 ( -27.503 -40.366 -20.767) 53.076 9.165 ( -5.057 -3.698 -0.979) 6.341 9.261 ( -19.918 -6.818 -5.837) 21.847 11.265 ( -9.249 -1.890 -9.377) 13.306 11.620 ( 0.243 4.581 -1.506) 4.829 11.923 ( 11.062 -4.576 -11.508) 16.605 12.184 ( 4.147 -3.495 2.956) 6.176 13.407 ( -3.313 -6.827 10.072) 12.610 13.911 ( 3.129 14.116 1.145) 14.504 14.318 ( 33.744 44.441 -0.835) 55.807 15.441 ( -5.798 0.342 -1.207) 5.932 17.055 ( -2.212 -3.529 1.795) 4.536 18.165 ( -1.671 -2.150 6.107) 6.686 18.378 ( 2.538 11.011 14.373) 18.282 19.247 ( -18.619 -14.497 0.289) 23.599 20.634 ( 8.572 8.935 -0.112) 12.382 21.695 ( -14.194 -18.862 -2.204) 23.709 21.994 ( 16.896 19.446 -5.816) 26.409 22.372 ( 2.211 -0.706 2.531) 3.434 ======================= Grid point 14 (9/300) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 14.049 -16.570 -9.872) 23.863 1.405 ( 5.329 -20.765 6.776) 22.483 1.615 ( 12.249 -9.584 -1.988) 15.680 2.378 ( 24.427 -16.078 -0.347) 29.246 2.549 ( -0.659 -20.322 8.671) 22.104 3.712 ( -6.203 -5.795 -1.701) 8.657 3.818 ( -9.861 1.873 -1.784) 10.195 4.125 ( -2.708 -3.271 1.463) 4.492 4.425 ( -10.996 0.838 -4.145) 11.781 4.943 ( 10.234 15.138 15.722) 24.105 5.777 ( -1.438 -2.110 -2.308) 3.442 5.823 ( 2.512 -2.753 -4.506) 5.848 6.339 ( 1.563 9.698 -7.189) 12.173 7.082 ( 8.160 -7.229 -5.381) 12.157 7.528 ( 6.679 8.055 12.787) 16.523 7.783 ( 1.616 5.024 -0.461) 5.298 8.027 ( 1.298 8.136 3.547) 8.970 8.613 ( -15.422 -4.726 -7.446) 17.765 9.189 ( -8.867 -3.512 -3.480) 10.152 9.251 ( -24.593 -13.143 -7.002) 28.750 11.233 ( -6.841 -2.720 -4.956) 8.874 11.557 ( -2.534 0.633 -2.156) 3.387 12.016 ( 7.555 -0.303 -9.198) 11.907 12.306 ( 4.612 -5.666 0.063) 7.306 13.458 ( 6.024 15.732 9.325) 19.254 13.667 ( 8.171 2.808 5.878) 10.450 14.021 ( 8.740 13.049 -0.317) 15.709 15.344 ( -4.715 4.615 0.197) 6.601 17.130 ( -3.080 -6.185 3.953) 7.960 18.101 ( 9.767 12.100 12.187) 19.757 18.333 ( -6.042 -1.698 -0.196) 6.279 19.277 ( -17.467 -6.653 -2.257) 18.827 20.519 ( 11.785 11.210 0.696) 16.280 21.710 ( 3.223 13.060 -9.662) 16.562 21.969 ( -6.295 -13.402 0.570) 14.818 22.417 ( 6.309 -0.091 4.696) 7.866 ======================= Grid point 15 (10/300) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 11.354 -12.166 -4.828) 17.328 1.767 ( 0.227 -15.339 1.005) 15.374 1.876 ( 7.787 -10.403 4.116) 13.631 2.750 ( 18.896 -6.534 -3.790) 20.350 2.985 ( 1.337 -22.254 9.035) 24.055 3.550 ( -12.029 6.241 -1.923) 13.687 3.924 ( -4.183 -10.557 -5.551) 12.640 4.138 ( -1.543 0.864 -1.292) 2.190 4.417 ( -7.639 -9.285 -1.561) 12.124 4.842 ( 5.865 5.510 9.784) 12.668 5.759 ( -4.334 1.181 -1.993) 4.914 5.928 ( -2.301 -8.389 -0.609) 8.720 6.171 ( 4.870 8.930 -3.928) 10.904 7.238 ( 7.836 -1.981 -3.556) 8.830 7.436 ( 5.466 8.801 12.093) 15.924 7.693 ( 3.137 6.137 -3.368) 7.671 7.892 ( -0.529 7.045 4.692) 8.481 8.482 ( -8.259 5.044 -4.888) 10.842 9.148 ( -13.848 -3.453 -7.080) 15.932 9.309 ( -14.163 -9.457 -3.712) 17.430 11.226 ( -3.695 -1.233 -0.742) 3.965 11.557 ( -4.357 -4.146 -3.482) 6.950 12.028 ( 2.712 0.650 -7.178) 7.700 12.454 ( 6.266 -6.077 -2.297) 9.026 13.130 ( 12.268 24.145 5.810) 27.699 13.819 ( -2.790 -9.744 8.087) 12.966 13.849 ( 1.367 10.286 -0.423) 10.385 15.223 ( -2.772 4.979 -0.603) 5.731 17.259 ( -1.916 -8.740 6.692) 11.173 17.973 ( 6.778 10.982 9.600) 16.084 18.265 ( -4.119 4.452 -4.922) 7.811 19.266 ( -14.262 -5.797 0.016) 15.395 20.423 ( 13.744 9.626 0.885) 16.803 21.460 ( 1.117 12.798 -9.088) 15.736 22.138 ( -10.447 -11.224 -1.202) 15.381 22.492 ( 9.289 -0.240 5.173) 10.635 ======================= Grid point 16 (11/300) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 8.090 -7.819 -2.405) 11.506 1.982 ( -0.518 -8.522 -0.672) 8.565 2.111 ( 4.283 -7.971 6.555) 11.174 2.918 ( 10.222 -1.126 -3.906) 11.000 3.187 ( -6.027 2.755 0.423) 6.640 3.575 ( 0.497 -17.039 6.278) 18.166 3.982 ( -5.056 -0.108 0.292) 5.065 4.142 ( -2.551 -5.565 -11.962) 13.438 4.551 ( -3.506 -6.989 -1.588) 7.979 4.862 ( 3.331 -1.303 6.599) 7.506 5.685 ( -4.295 1.892 -0.771) 4.756 6.043 ( -1.186 0.214 -8.964) 9.044 6.117 ( 3.402 -5.547 10.032) 11.957 7.155 ( 4.902 14.243 -0.475) 15.070 7.408 ( 1.115 0.987 5.383) 5.585 7.601 ( 5.440 5.847 -4.974) 9.409 7.807 ( -1.541 2.473 6.395) 7.027 8.338 ( -3.606 3.957 -3.380) 6.331 9.097 ( -10.894 -3.087 -4.867) 12.325 9.366 ( -7.037 -6.668 -3.551) 10.325 11.217 ( -1.835 -0.197 0.656) 1.958 11.618 ( -2.677 -5.576 -2.782) 6.783 12.022 ( -2.654 -1.911 -4.956) 5.937 12.610 ( 8.787 -5.095 -4.560) 11.133 12.815 ( 7.848 19.575 6.290) 22.008 13.665 ( -1.672 8.978 -0.189) 9.135 13.971 ( -4.237 -7.822 5.629) 10.528 15.128 ( -0.305 3.654 -1.003) 3.801 17.448 ( 0.713 -10.165 8.135) 13.039 17.844 ( 1.007 7.728 4.222) 8.863 18.103 ( -2.628 8.346 -6.044) 10.634 19.271 ( -9.140 -4.028 2.163) 10.220 20.377 ( 13.016 6.764 -0.747) 14.687 21.243 ( -0.835 8.505 -5.226) 10.017 22.220 ( -11.083 -7.347 -2.502) 13.530 22.574 ( 9.199 0.492 4.219) 10.133 ======================= Grid point 17 (12/300) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 4.311 -0.282 -2.279) 4.884 2.084 ( 0.393 -2.995 1.647) 3.440 2.234 ( 1.886 -1.124 2.044) 2.999 2.853 ( -14.243 4.525 3.115) 15.265 3.203 ( 15.513 -2.831 -5.562) 16.722 3.884 ( 0.465 -10.337 4.168) 11.155 3.923 ( -5.248 2.013 2.574) 6.182 4.209 ( 1.842 -4.006 -6.988) 8.263 4.584 ( -5.100 -2.327 -3.952) 6.859 4.930 ( 2.263 -1.373 4.869) 5.542 5.650 ( -4.203 -2.027 -0.995) 4.771 5.954 ( 8.023 9.400 -0.412) 12.365 6.355 ( -6.555 -17.407 3.327) 18.896 6.881 ( 3.510 17.060 -0.976) 17.445 7.374 ( -4.288 1.668 -0.093) 4.602 7.557 ( 5.862 2.785 -2.469) 6.944 7.785 ( -0.967 0.880 3.944) 4.155 8.278 ( -0.407 0.327 -1.525) 1.612 9.091 ( -6.877 -4.336 0.967) 8.187 9.450 ( 0.620 -6.374 -3.880) 7.487 11.213 ( -0.855 -0.388 0.304) 0.986 11.690 ( 1.460 -2.816 -1.201) 3.391 12.053 ( -7.898 -6.843 -1.265) 10.527 12.551 ( 6.802 15.322 2.048) 16.889 12.740 ( 6.615 -1.589 -0.895) 6.861 13.528 ( -2.150 3.115 -0.245) 3.793 14.063 ( -2.989 -4.140 1.810) 5.418 15.085 ( 1.423 1.380 -0.014) 1.982 17.611 ( 1.803 -0.008 1.320) 2.234 17.775 ( -3.145 -4.667 3.305) 6.526 17.922 ( -1.500 7.422 -3.243) 8.238 19.290 ( -4.743 -3.719 2.515) 6.531 20.346 ( 10.415 6.373 -4.807) 13.123 21.136 ( -0.743 1.850 2.759) 3.404 22.241 ( -10.887 -5.019 -4.031) 12.647 22.620 ( 7.750 2.621 3.039) 8.728 ======================= Grid point 18 (13/300) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.505 8.839 -2.460) 9.189 2.117 ( 2.099 1.285 3.238) 4.067 2.162 ( -1.683 8.915 -2.931) 9.534 2.696 ( -12.804 1.410 5.164) 13.878 3.393 ( 15.652 -3.760 -4.456) 16.703 3.786 ( -2.970 10.036 2.024) 10.661 3.979 ( -0.896 -2.903 -5.912) 6.647 4.273 ( 1.133 -0.508 9.746) 9.825 4.583 ( -5.068 -1.499 -6.231) 8.170 4.936 ( 3.160 4.466 4.144) 6.863 5.689 ( -3.978 -5.781 -2.325) 7.392 5.848 ( 4.440 5.782 -1.284) 7.402 6.526 ( 2.833 7.462 3.915) 8.890 6.727 ( -4.357 -10.336 -1.755) 11.353 7.305 ( -5.488 1.152 -2.859) 6.294 7.563 ( 3.248 0.366 0.544) 3.314 7.768 ( -0.666 0.444 -0.655) 1.034 8.318 ( 1.344 -4.625 0.241) 4.823 9.153 ( -3.156 -5.381 4.733) 7.830 9.597 ( 7.674 -6.767 -2.452) 10.521 11.221 ( -0.141 -0.955 -0.289) 1.008 11.735 ( 3.890 -0.081 0.807) 3.974 12.138 ( -8.054 -7.553 3.032) 11.451 12.360 ( 0.007 8.256 3.632) 9.020 12.747 ( 5.515 5.104 -4.042) 8.532 13.543 ( -0.663 -5.456 -0.392) 5.510 14.080 ( -0.625 1.063 -1.786) 2.170 15.099 ( 1.584 -1.525 1.127) 2.471 17.526 ( 0.289 4.894 -8.880) 10.144 17.745 ( -4.895 5.228 1.937) 7.419 17.996 ( 1.138 -11.410 4.629) 12.366 19.365 ( -1.183 -6.707 2.490) 7.252 20.269 ( 7.215 7.674 -7.900) 13.167 21.166 ( -1.356 -3.810 8.941) 9.813 22.233 ( -9.627 -4.017 -5.189) 11.651 22.606 ( 6.430 5.333 2.129) 8.621 ======================= Grid point 19 (14/300) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -4.187 14.852 -2.037) 15.565 1.903 ( -4.230 14.631 -2.322) 15.406 2.081 ( 3.270 5.898 3.656) 7.671 2.571 ( -9.275 6.481 2.408) 11.568 3.335 ( 1.700 18.825 -5.040) 19.562 3.732 ( 10.313 -4.115 4.356) 11.927 4.012 ( -2.539 -3.163 -4.425) 6.002 4.258 ( 1.450 7.238 8.134) 10.984 4.485 ( -7.603 2.343 -6.551) 10.306 4.857 ( 4.369 6.998 2.294) 8.563 5.739 ( -6.240 -2.312 -5.085) 8.375 5.855 ( 4.754 -3.325 1.224) 5.929 6.377 ( 5.486 9.003 5.580) 11.929 6.946 ( -5.780 -13.421 -1.461) 14.685 7.235 ( -4.099 1.701 -4.246) 6.142 7.596 ( 0.224 -2.214 3.254) 3.942 7.774 ( -0.320 -2.556 -3.175) 4.089 8.472 ( 2.750 -10.021 1.128) 10.452 9.241 ( -0.547 -4.156 3.716) 5.602 9.794 ( 12.367 -6.396 0.228) 13.925 11.245 ( 0.303 -1.676 -0.269) 1.725 11.764 ( 5.358 1.021 3.232) 6.340 12.136 ( 1.339 5.857 5.178) 7.932 12.318 ( -13.200 -7.026 5.926) 16.084 12.653 ( 1.738 5.590 -9.436) 11.105 13.674 ( -0.158 -8.157 -0.194) 8.161 13.998 ( 0.631 7.340 -3.355) 8.095 15.168 ( 0.983 -4.680 0.895) 4.865 17.435 ( 5.277 5.854 -7.551) 10.915 17.642 ( -9.187 -0.632 0.167) 9.210 18.219 ( 1.440 -10.030 3.655) 10.772 19.539 ( 3.669 -10.527 3.307) 11.628 20.150 ( 2.689 7.055 -7.996) 10.997 21.259 ( -4.450 -5.825 8.669) 11.353 22.232 ( -6.219 -3.833 -4.570) 8.617 22.531 ( 5.315 8.024 1.412) 9.728 ======================= Grid point 20 (15/300) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -5.440 18.168 -0.925) 18.988 1.564 ( -3.376 18.866 -0.855) 19.185 1.974 ( 6.702 10.706 4.901) 13.548 2.253 ( -11.449 20.333 -2.259) 23.444 2.923 ( 0.053 23.107 -2.413) 23.233 3.915 ( 7.779 -2.434 2.484) 8.521 3.981 ( -0.432 4.388 0.237) 4.415 4.129 ( -1.273 1.122 -1.160) 2.055 4.458 ( -5.113 -3.951 -2.952) 7.104 4.766 ( 3.817 6.400 0.927) 7.510 5.673 ( -4.384 3.191 -2.131) 5.826 5.965 ( 3.019 -3.573 1.345) 4.867 6.313 ( 1.716 3.081 3.114) 4.705 7.096 ( -3.026 -5.281 9.808) 11.543 7.177 ( -2.043 -1.123 -12.946) 13.154 7.663 ( -0.719 -4.515 1.741) 4.892 7.851 ( -0.335 -6.349 -1.681) 6.576 8.708 ( 2.805 -12.140 1.121) 12.510 9.296 ( 0.533 -0.983 1.274) 1.695 10.010 ( 13.241 -6.068 1.579) 14.650 11.287 ( 0.217 -2.618 0.762) 2.735 11.787 ( 6.636 2.773 3.543) 8.017 12.060 ( 2.614 3.761 6.582) 8.019 12.328 ( -9.964 -0.683 8.167) 12.901 12.547 ( -8.839 -0.017 -15.721) 18.035 13.810 ( 0.847 5.037 -2.159) 5.545 13.820 ( -0.726 -0.467 -0.419) 0.959 15.285 ( 0.669 -6.925 0.111) 6.958 17.330 ( 3.645 8.255 -1.930) 9.228 17.659 ( -5.992 -7.668 -2.682) 10.094 18.384 ( 1.088 -5.814 1.583) 6.123 19.801 ( 14.257 -7.199 5.546) 16.907 20.041 ( -8.633 -1.698 -7.689) 11.685 21.336 ( -6.443 -5.627 4.167) 9.515 22.262 ( -1.958 -3.450 -1.923) 4.408 22.399 ( 3.641 10.280 0.585) 10.922 ======================= Grid point 21 (16/300) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.000 20.473 0.000) 20.473 1.146 ( -0.000 25.243 0.000) 25.243 1.614 ( -0.000 37.970 0.000) 37.970 1.872 ( -0.000 7.744 0.000) 7.744 2.532 ( -0.000 18.121 0.000) 18.121 3.810 ( -0.000 6.300 0.000) 6.300 4.066 ( 0.000 -4.149 -0.000) 4.149 4.143 ( 0.000 -0.982 -0.000) 0.982 4.496 ( 0.000 -2.952 -0.000) 2.952 4.697 ( -0.000 2.512 0.000) 2.512 5.583 ( -0.000 3.634 0.000) 3.634 6.022 ( 0.000 -0.778 -0.000) 0.778 6.265 ( -0.000 2.775 0.000) 2.775 7.104 ( -0.000 2.207 0.000) 2.207 7.255 ( 0.000 -7.856 -0.000) 7.856 7.751 ( 0.000 -4.873 -0.000) 4.873 7.978 ( 0.000 -7.422 -0.000) 7.422 8.930 ( 0.000 -9.720 -0.000) 9.720 9.286 ( -0.000 2.372 0.000) 2.372 10.200 ( 0.000 -6.741 -0.000) 6.741 11.346 ( 0.000 -3.514 -0.000) 3.514 11.748 ( -0.000 4.835 0.000) 4.835 12.092 ( 0.000 -1.949 -0.000) 1.949 12.238 ( -0.000 6.196 0.000) 6.196 12.463 ( 0.000 -1.230 -0.000) 1.230 13.588 ( -0.000 11.751 0.000) 11.751 13.931 ( 0.000 -5.253 -0.000) 5.253 15.421 ( 0.000 -7.067 -0.000) 7.067 17.193 ( -0.000 7.356 0.000) 7.356 17.802 ( 0.000 -10.252 -0.000) 10.252 18.441 ( -0.000 0.525 0.000) 0.525 19.845 ( -0.000 5.480 0.000) 5.480 20.226 ( 0.000 -18.114 -0.000) 18.114 21.409 ( 0.000 -5.659 -0.000) 5.659 22.206 ( -0.000 12.270 0.000) 12.270 22.312 ( 0.000 -2.491 -0.000) 2.491 ======================= Grid point 24 (17/300) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 15.951 0.000 4.907) 16.689 0.679 ( 20.423 0.000 -4.845) 20.990 1.664 ( 52.853 0.000 -2.960) 52.936 1.768 ( 6.388 0.000 0.336) 6.396 2.150 ( -5.035 -0.000 8.489) 9.870 3.502 ( -4.278 -0.000 -0.713) 4.337 3.937 ( -13.630 -0.000 3.695) 14.121 4.028 ( -5.586 -0.000 -1.452) 5.771 4.514 ( -8.148 -0.000 -6.170) 10.220 5.432 ( -1.321 -0.000 31.287) 31.315 5.671 ( -6.391 -0.000 -5.288) 8.295 6.380 ( -12.960 -0.000 -17.168) 21.510 6.664 ( 16.754 0.000 -1.707) 16.841 6.912 ( -0.128 -0.000 -26.112) 26.112 7.347 ( 4.276 0.000 9.073) 10.030 7.700 ( 6.003 0.000 10.049) 11.706 7.911 ( 2.993 0.000 2.200) 3.715 8.263 ( 6.442 0.000 -3.890) 7.526 9.080 ( -6.661 -0.000 -0.878) 6.719 9.108 ( -14.826 -0.000 -4.959) 15.634 11.141 ( -11.829 -0.000 -6.546) 13.519 11.675 ( -1.573 -0.000 -2.718) 3.140 11.955 ( 16.835 0.000 -10.624) 19.907 12.204 ( 5.814 0.000 4.438) 7.314 13.333 ( -4.944 -0.000 12.446) 13.392 13.980 ( -1.976 -0.000 0.136) 1.981 15.112 ( 5.472 0.000 -17.974) 18.788 15.298 ( -3.877 -0.000 0.023) 3.877 17.012 ( -2.106 -0.000 2.027) 2.923 18.001 ( -10.319 -0.000 9.696) 14.159 18.695 ( -6.115 -0.000 24.451) 25.204 18.955 ( 5.134 0.000 -6.307) 8.133 20.800 ( 10.384 0.000 -0.379) 10.391 21.368 ( -12.479 -0.000 -1.216) 12.538 22.304 ( -3.232 -0.000 -0.266) 3.243 22.354 ( 12.300 0.000 -4.274) 13.021 ======================= Grid point 25 (18/300) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 15.394 -14.810 -11.912) 24.458 1.066 ( 6.748 -19.631 6.114) 21.640 1.723 ( 19.505 4.713 1.786) 20.146 2.247 ( -0.202 -13.489 9.180) 16.318 2.283 ( 33.653 -16.019 -1.718) 37.311 3.524 ( -6.169 -6.546 -1.821) 9.177 3.799 ( -14.166 3.757 2.138) 14.811 4.014 ( -6.248 -3.818 -0.584) 7.345 4.398 ( -8.541 3.877 -6.508) 11.417 5.367 ( 0.766 14.687 27.798) 31.449 5.671 ( -2.843 -4.063 -2.798) 5.694 5.951 ( 1.068 16.281 -14.148) 21.596 6.528 ( 3.627 11.103 -9.836) 15.270 7.010 ( 12.226 -7.467 -6.139) 15.586 7.711 ( 4.699 2.109 10.374) 11.582 7.807 ( -8.239 -8.546 2.787) 12.194 8.029 ( -4.117 -17.064 3.283) 17.858 8.261 ( 4.456 1.112 -7.523) 8.815 8.964 ( -17.759 0.505 -6.617) 18.958 9.067 ( -6.881 -4.252 -1.636) 8.252 11.077 ( -10.973 -3.987 -5.044) 12.718 11.607 ( -0.896 4.445 -2.071) 4.985 12.075 ( 14.104 -0.235 -9.636) 17.083 12.275 ( 5.934 -2.303 3.376) 7.205 13.382 ( -6.892 -6.525 13.311) 16.348 13.919 ( 0.046 5.796 0.475) 5.816 14.649 ( 14.857 35.484 -6.567) 39.025 15.342 ( -6.611 -0.630 -0.469) 6.658 17.029 ( -2.415 -3.228 2.834) 4.928 18.087 ( -8.861 -11.590 5.754) 15.683 18.515 ( 4.416 15.152 16.088) 22.536 19.057 ( -6.436 -5.254 -5.850) 10.161 20.780 ( 10.214 8.310 -0.741) 13.188 21.480 ( -11.874 -16.955 -1.838) 20.781 22.115 ( 2.452 14.134 -3.409) 14.745 22.462 ( 7.856 -1.528 2.003) 8.250 ======================= Grid point 26 (19/300) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 11.485 -16.897 -12.013) 23.701 1.451 ( 0.140 -18.127 3.786) 18.519 1.847 ( 14.217 -2.697 6.560) 15.889 2.596 ( 2.809 -21.457 9.136) 23.489 2.781 ( 27.773 -9.775 -1.965) 29.509 3.566 ( -11.782 3.308 -0.484) 12.247 3.665 ( -8.923 -7.951 -4.738) 12.856 4.092 ( -1.431 -7.664 -0.632) 7.822 4.244 ( -10.273 2.157 -4.085) 11.264 5.111 ( 2.489 16.085 16.274) 23.016 5.707 ( -2.952 -2.300 -4.299) 5.700 5.817 ( -3.430 -0.217 -4.792) 5.897 6.371 ( 6.973 7.860 -4.207) 11.318 7.218 ( 10.990 -5.669 -3.796) 12.936 7.670 ( 5.487 7.892 9.663) 13.629 7.792 ( -1.640 2.671 3.108) 4.413 8.056 ( 0.507 8.621 3.428) 9.291 8.377 ( -9.450 -9.092 -8.198) 15.465 8.838 ( -20.719 -6.104 -7.512) 22.868 9.111 ( -5.485 -5.935 -2.887) 8.582 11.096 ( -8.417 -6.651 -2.959) 11.128 11.520 ( -1.575 2.982 -1.781) 3.814 12.098 ( 7.315 3.937 -6.678) 10.659 12.404 ( 8.323 -4.907 0.182) 9.663 13.465 ( -6.444 -1.791 9.743) 11.818 13.790 ( 4.411 8.306 3.161) 9.922 14.172 ( 10.003 24.748 -2.605) 26.820 15.266 ( -5.454 2.796 0.136) 6.130 17.112 ( -1.890 -6.774 4.822) 8.527 18.209 ( -4.587 -4.765 -0.261) 6.619 18.310 ( 4.706 14.800 14.431) 21.200 19.057 ( -9.745 -4.834 -5.361) 12.128 20.697 ( 11.205 8.873 -1.305) 14.352 21.615 ( -6.631 -0.885 -6.417) 9.270 21.918 ( -3.168 1.744 -0.379) 3.637 22.554 ( 8.274 -1.275 3.910) 9.240 ======================= Grid point 27 (20/300) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 9.731 -12.182 -7.686) 17.383 1.758 ( -0.882 -14.893 1.367) 14.982 2.035 ( 8.076 -5.918 8.550) 13.166 2.973 ( 6.653 -3.932 2.850) 8.237 3.094 ( 12.104 -13.776 3.327) 18.637 3.386 ( -7.036 1.238 -1.386) 7.278 3.798 ( -7.654 -11.977 -9.713) 17.216 4.065 ( -7.310 3.121 -2.313) 8.278 4.348 ( -0.627 -12.995 -0.535) 13.021 4.943 ( 1.419 6.544 10.046) 12.073 5.695 ( -3.408 0.650 -2.755) 4.430 5.800 ( -7.883 -5.188 -5.623) 10.986 6.325 ( 11.466 5.930 4.018) 13.520 7.324 ( 5.095 1.488 -3.562) 6.393 7.557 ( 4.294 10.087 8.281) 13.739 7.741 ( 4.120 4.139 0.382) 5.852 7.890 ( -2.223 7.866 4.071) 9.132 8.345 ( -6.192 1.305 -6.046) 8.752 8.840 ( -18.138 -10.287 -6.043) 21.710 9.186 ( -4.104 -6.870 -3.899) 8.902 11.157 ( -4.716 -5.018 -0.444) 6.901 11.489 ( -3.011 -2.646 -2.279) 4.611 12.041 ( 2.405 4.315 -5.051) 7.065 12.566 ( 8.937 -5.444 -0.490) 10.476 13.286 ( 6.141 19.805 2.842) 20.929 13.791 ( -4.429 -3.462 5.347) 7.758 13.870 ( 1.059 11.315 0.267) 11.367 15.180 ( -2.335 2.858 -0.560) 3.732 17.273 ( -0.183 -10.196 6.344) 12.010 18.087 ( 2.843 14.927 8.658) 17.489 18.180 ( -4.303 3.497 -4.070) 6.878 19.100 ( -7.729 -7.200 0.207) 10.565 20.623 ( 12.353 8.351 -2.676) 15.149 21.420 ( -1.029 12.112 -5.186) 13.216 21.976 ( -10.147 -9.066 -0.835) 13.633 22.645 ( 7.778 -0.824 3.661) 8.636 ======================= Grid point 28 (21/300) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 7.680 -6.146 -4.603) 10.860 1.980 ( -0.198 -9.065 1.569) 9.202 2.204 ( 4.600 -5.070 6.513) 9.449 2.870 ( -12.008 8.322 1.234) 14.662 3.284 ( 16.909 -0.582 -6.004) 17.953 3.632 ( 1.672 -18.605 10.482) 21.419 3.889 ( -6.422 -2.218 -2.196) 7.141 4.021 ( -6.580 -9.521 -11.007) 15.972 4.509 ( -0.854 -3.918 -2.051) 4.504 4.923 ( 0.788 -0.794 6.329) 6.427 5.627 ( -2.897 2.401 -0.863) 3.860 5.919 ( -5.338 -14.382 -6.251) 16.566 6.290 ( 8.642 8.640 8.440) 14.852 7.192 ( 0.968 13.431 -2.414) 13.681 7.427 ( -0.217 6.897 2.987) 7.519 7.679 ( 6.525 6.101 -5.800) 10.651 7.808 ( -2.531 1.299 9.541) 9.956 8.279 ( -1.934 0.830 -4.096) 4.605 8.895 ( -11.714 -9.106 -1.888) 14.957 9.291 ( -1.646 -8.322 -4.461) 9.585 11.191 ( -1.845 -1.504 0.510) 2.434 11.571 ( -2.175 -8.380 -1.722) 8.828 11.970 ( -1.725 2.426 -3.274) 4.425 12.731 ( 7.923 -4.955 1.051) 9.404 12.954 ( 7.888 21.025 0.232) 22.457 13.623 ( -3.419 9.103 -0.726) 9.751 13.922 ( -4.704 -7.474 4.354) 9.846 15.128 ( 0.631 1.972 -0.473) 2.124 17.500 ( 1.558 -11.849 6.275) 13.498 17.846 ( -1.693 12.228 1.496) 12.435 18.040 ( -2.948 7.161 -3.236) 8.393 19.175 ( -4.872 -5.380 2.715) 7.750 20.561 ( 11.789 7.766 -5.192) 15.042 21.221 ( -0.295 7.555 0.832) 7.606 22.040 ( -10.530 -6.811 -2.672) 12.823 22.709 ( 6.242 0.600 2.651) 6.809 ======================= Grid point 29 (22/300) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.425 3.214 -2.693) 5.414 2.106 ( 1.135 -4.208 2.183) 4.875 2.290 ( 5.298 2.784 0.926) 6.056 2.631 ( -15.225 3.745 2.512) 15.879 3.438 ( 16.771 -3.011 -4.803) 17.703 3.841 ( -7.454 0.152 4.157) 8.536 3.880 ( -2.177 -6.211 0.339) 6.590 4.224 ( 2.605 -11.988 -2.090) 12.444 4.489 ( -4.387 1.002 -4.094) 6.084 4.979 ( 1.301 -2.111 3.971) 4.681 5.592 ( -2.568 -1.467 -0.874) 3.084 6.072 ( 8.498 8.732 -4.126) 12.864 6.272 ( -7.298 -14.393 6.276) 17.315 6.915 ( 1.576 15.671 -0.926) 15.777 7.311 ( -3.115 4.266 -0.817) 5.345 7.623 ( 3.834 3.214 -3.070) 5.870 7.788 ( -0.960 1.624 4.329) 4.722 8.270 ( 0.145 -1.305 -1.421) 1.935 8.994 ( -5.719 -8.775 1.841) 10.634 9.456 ( 1.722 -10.467 -3.413) 11.143 11.201 ( -0.711 -0.872 0.174) 1.138 11.722 ( 3.228 -6.616 -0.850) 7.410 11.931 ( -7.200 -3.263 -0.305) 7.911 12.644 ( 3.816 17.080 3.839) 17.918 12.846 ( 6.853 0.330 -2.904) 7.450 13.490 ( -2.254 1.730 -0.380) 2.867 14.021 ( -2.934 -5.346 1.070) 6.191 15.112 ( 1.698 0.855 0.323) 1.929 17.616 ( -0.418 7.566 -3.563) 8.374 17.764 ( -0.425 -9.821 6.368) 11.712 17.878 ( -2.531 5.967 -2.321) 6.885 19.240 ( -2.962 -4.970 2.210) 6.193 20.479 ( 9.179 8.659 -6.657) 14.267 21.151 ( -0.009 1.093 6.249) 6.344 22.066 ( -8.690 -5.166 -3.731) 10.776 22.725 ( 4.384 2.690 1.639) 5.399 ======================= Grid point 30 (23/300) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.043 11.890 -1.312) 11.962 2.130 ( -0.877 10.890 -1.108) 10.981 2.164 ( 1.786 2.637 1.469) 3.507 2.566 ( -5.560 -1.519 2.058) 6.120 3.568 ( 7.972 2.839 -3.931) 9.331 3.791 ( 1.999 2.413 7.410) 8.045 3.899 ( -5.709 -2.794 -6.556) 9.131 4.340 ( 2.227 0.917 7.318) 7.704 4.476 ( -4.115 -1.572 -6.357) 7.734 4.991 ( 1.552 3.544 2.149) 4.426 5.632 ( -1.765 -4.154 -1.374) 4.718 5.906 ( 2.640 7.246 -0.391) 7.722 6.542 ( -1.501 -7.927 1.793) 8.265 6.697 ( 0.424 2.750 -0.511) 2.829 7.230 ( -2.483 1.869 -1.471) 3.438 7.600 ( 1.272 1.090 -0.009) 1.676 7.757 ( -0.366 1.084 -0.050) 1.146 8.334 ( 0.611 -5.885 -0.000) 5.917 9.127 ( -1.647 -7.719 1.968) 8.134 9.676 ( 3.257 -11.410 -1.168) 11.923 11.217 ( -0.157 -1.298 -0.105) 1.312 11.807 ( 4.513 0.015 -0.148) 4.515 12.017 ( -7.033 -10.849 1.815) 13.056 12.392 ( 1.218 13.015 1.669) 13.178 12.799 ( 2.454 7.325 -1.808) 7.934 13.533 ( -0.304 -6.401 -0.172) 6.411 14.062 ( -0.627 -0.039 -0.697) 0.939 15.124 ( 0.885 -1.135 0.543) 1.538 17.502 ( 0.536 2.559 -4.670) 5.352 17.688 ( -2.911 8.486 1.959) 9.183 18.024 ( 0.493 -12.299 1.729) 12.430 19.351 ( -1.190 -8.964 1.269) 9.131 20.349 ( 5.059 10.120 -4.458) 12.161 21.179 ( -1.057 -2.471 5.281) 5.925 22.099 ( -4.426 -4.957 -2.720) 7.181 22.682 ( 2.420 5.070 0.782) 5.672 ======================= Grid point 31 (24/300) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.000 16.794 0.000) 16.794 1.864 ( -0.000 15.429 0.000) 15.429 2.123 ( -0.000 4.414 0.000) 4.414 2.498 ( -0.000 8.475 0.000) 8.475 3.335 ( -0.000 20.473 0.000) 20.473 3.879 ( 0.000 -4.667 -0.000) 4.667 3.931 ( 0.000 -5.160 -0.000) 5.160 4.318 ( -0.000 13.800 0.000) 13.800 4.373 ( 0.000 -2.517 -0.000) 2.517 4.901 ( -0.000 6.278 0.000) 6.278 5.677 ( 0.000 -1.132 -0.000) 1.132 5.898 ( 0.000 -3.573 -0.000) 3.573 6.434 ( -0.000 8.373 0.000) 8.373 6.894 ( 0.000 -13.101 -0.000) 13.101 7.191 ( -0.000 1.539 0.000) 1.539 7.606 ( 0.000 -1.485 -0.000) 1.485 7.764 ( 0.000 -2.436 -0.000) 2.436 8.496 ( 0.000 -11.043 -0.000) 11.043 9.243 ( 0.000 -4.930 -0.000) 4.930 9.895 ( 0.000 -10.285 -0.000) 10.285 11.247 ( 0.000 -1.931 -0.000) 1.931 11.829 ( 0.000 -0.467 -0.000) 0.467 12.175 ( 0.000 -8.361 -0.000) 8.361 12.194 ( -0.000 8.820 0.000) 8.820 12.647 ( -0.000 9.010 0.000) 9.010 13.672 ( 0.000 -8.111 -0.000) 8.111 13.994 ( -0.000 7.163 0.000) 7.163 15.178 ( 0.000 -4.506 -0.000) 4.506 17.509 ( -0.000 9.217 0.000) 9.217 17.519 ( 0.000 -3.907 -0.000) 3.907 18.238 ( 0.000 -10.210 -0.000) 10.210 19.569 ( 0.000 -14.841 -0.000) 14.841 20.168 ( -0.000 10.745 0.000) 10.745 21.237 ( 0.000 -3.775 -0.000) 3.775 22.172 ( 0.000 -4.843 -0.000) 4.843 22.576 ( -0.000 7.578 0.000) 7.578 ======================= Grid point 36 (25/300) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.562 0.000 3.146) 8.190 0.918 ( 13.918 0.000 -7.210) 15.675 1.926 ( 13.972 0.000 1.550) 14.058 2.116 ( -2.325 -0.000 9.619) 9.896 2.424 ( 46.466 0.000 -2.035) 46.510 3.404 ( -8.031 -0.000 -1.645) 8.198 3.729 ( -15.063 -0.000 3.683) 15.507 3.918 ( -8.051 -0.000 -1.324) 8.159 4.367 ( -6.232 -0.000 -8.517) 10.554 5.557 ( 0.276 0.000 29.083) 29.085 5.591 ( -1.731 -0.000 -4.084) 4.436 6.072 ( -19.245 -0.000 -10.343) 21.849 6.791 ( -0.896 -0.000 -25.585) 25.601 6.883 ( 13.243 0.000 -3.375) 13.666 7.474 ( 6.241 0.000 12.559) 14.024 7.824 ( 5.123 0.000 7.337) 8.949 7.980 ( 4.511 0.000 3.150) 5.502 8.351 ( 6.214 0.000 -1.076) 6.307 8.826 ( -18.258 -0.000 -7.336) 19.676 8.960 ( -7.950 -0.000 -1.972) 8.191 10.940 ( -11.233 -0.000 -4.239) 12.006 11.638 ( -1.820 -0.000 -2.352) 2.975 12.179 ( 18.456 0.000 -9.557) 20.784 12.310 ( 5.411 0.000 4.131) 6.808 13.288 ( -9.091 -0.000 14.892) 17.447 13.964 ( -0.142 -0.000 0.172) 0.223 15.118 ( 3.761 0.000 -11.577) 12.173 15.227 ( -5.423 -0.000 0.372) 5.436 16.988 ( -2.189 -0.000 2.098) 3.032 17.891 ( -9.117 -0.000 8.980) 12.797 18.709 ( -2.826 -0.000 13.017) 13.320 18.998 ( 3.805 0.000 -5.452) 6.648 20.971 ( 11.795 0.000 -0.305) 11.799 21.186 ( -10.692 -0.000 -0.473) 10.703 22.244 ( -4.387 -0.000 -0.403) 4.406 22.507 ( 9.327 0.000 -1.629) 9.468 ======================= Grid point 37 (26/300) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 6.521 -13.035 -6.979) 16.160 1.163 ( 4.593 -14.869 0.153) 15.563 1.983 ( 13.733 3.128 4.713) 14.852 2.296 ( 4.472 -15.089 8.197) 17.745 2.848 ( 36.548 -8.144 -0.806) 37.453 3.394 ( -9.533 -6.468 -3.013) 11.907 3.591 ( -13.549 3.604 2.018) 14.165 3.908 ( -6.966 -6.391 -0.963) 9.503 4.259 ( -5.031 5.005 -7.995) 10.690 5.440 ( -4.275 13.003 18.295) 22.848 5.669 ( -0.356 -0.815 5.101) 5.177 5.802 ( -9.027 4.862 -10.819) 14.905 6.555 ( 5.460 9.362 -11.101) 15.514 7.159 ( 9.316 -10.123 -8.219) 16.025 7.689 ( -4.576 -10.201 10.876) 15.597 7.839 ( 4.464 3.787 5.898) 8.310 8.065 ( 4.290 -5.441 2.565) 7.389 8.312 ( 3.922 7.286 -2.566) 8.663 8.653 ( -18.638 1.141 -8.242) 20.411 8.954 ( -6.552 -5.399 -2.354) 8.810 10.901 ( -9.448 -5.236 -3.177) 11.260 11.580 ( -1.390 3.844 -1.761) 4.451 12.240 ( 10.883 5.113 -5.736) 13.323 12.401 ( 10.249 -3.457 0.246) 10.819 13.307 ( -10.651 -6.363 13.386) 18.252 13.932 ( 1.309 3.862 0.531) 4.113 14.779 ( 7.153 28.146 -6.047) 29.664 15.241 ( -6.310 -0.584 0.022) 6.337 17.009 ( -1.828 -3.628 2.782) 4.923 17.983 ( -7.538 -11.983 5.185) 15.077 18.633 ( 2.266 9.609 14.827) 17.813 18.966 ( -1.809 2.626 -9.612) 10.127 20.909 ( 6.220 7.708 -1.114) 9.967 21.344 ( -4.541 -15.148 -0.634) 15.826 22.089 ( -3.151 11.495 -1.843) 12.060 22.590 ( 7.248 -1.771 1.168) 7.552 ======================= Grid point 38 (27/300) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.076 -18.562 -7.941) 20.597 1.474 ( 1.382 -15.748 1.757) 15.906 2.068 ( 10.632 -0.604 6.315) 12.381 2.712 ( 7.325 -21.486 8.441) 24.218 3.163 ( 19.058 -0.347 1.711) 19.138 3.398 ( -6.223 3.293 -2.653) 7.524 3.496 ( -9.637 -9.583 -6.528) 15.076 4.066 ( -7.412 -8.587 -1.632) 11.460 4.098 ( -0.631 0.029 -4.070) 4.119 5.159 ( -4.066 14.187 12.928) 19.620 5.604 ( -6.943 -0.635 -8.275) 10.820 5.774 ( 0.443 0.992 0.985) 1.467 6.487 ( 8.316 3.377 -0.926) 9.024 7.340 ( 6.664 -4.171 -6.621) 10.278 7.760 ( -0.507 3.096 9.418) 9.927 7.793 ( 2.401 2.833 7.038) 7.958 8.080 ( 1.427 10.610 0.697) 10.729 8.261 ( -2.898 -3.683 -6.286) 7.840 8.522 ( -16.562 -5.725 -6.947) 18.850 9.024 ( -4.127 -6.750 -2.492) 8.295 10.968 ( -6.605 -8.846 -1.727) 11.174 11.491 ( -1.268 3.733 -1.277) 4.144 12.168 ( 4.533 7.079 -3.477) 9.097 12.553 ( 10.976 -3.861 -0.986) 11.677 13.383 ( -8.915 -6.124 8.188) 13.566 13.847 ( 2.194 6.860 1.886) 7.446 14.278 ( 5.620 28.704 -2.874) 29.390 15.189 ( -4.360 1.000 0.101) 4.475 17.112 ( -0.685 -7.881 3.959) 8.846 18.123 ( -5.088 -5.837 -0.094) 7.744 18.443 ( 3.668 17.192 13.122) 21.936 18.923 ( -4.628 -4.750 -7.242) 9.820 20.826 ( 6.351 6.330 -2.317) 9.262 21.531 ( -0.915 -4.620 -2.665) 5.411 21.845 ( -5.914 7.437 -0.537) 9.517 22.679 ( 5.876 -1.848 2.347) 6.592 ======================= Grid point 39 (28/300) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 4.041 -14.625 -5.727) 16.218 1.760 ( 0.250 -14.055 2.024) 14.202 2.180 ( 6.333 -3.034 5.783) 9.097 2.981 ( -4.744 8.597 2.736) 10.193 3.277 ( 4.902 -19.299 8.883) 21.803 3.429 ( 15.789 -0.458 -4.936) 16.549 3.629 ( -8.001 -13.486 -10.831) 19.058 3.907 ( -12.289 3.517 -0.785) 12.807 4.364 ( 2.247 -12.501 -1.184) 12.757 4.974 ( -1.777 5.630 6.996) 9.154 5.597 ( -5.464 -5.304 -5.048) 9.136 5.731 ( -0.610 1.920 -0.439) 2.062 6.497 ( 7.894 4.238 3.775) 9.722 7.356 ( 1.541 4.906 -3.948) 6.483 7.631 ( 1.926 11.060 4.115) 11.957 7.817 ( 2.986 0.980 7.522) 8.152 7.868 ( -0.959 9.905 -1.397) 10.049 8.248 ( -3.299 -0.815 -5.524) 6.486 8.595 ( -10.757 -12.408 -3.248) 16.740 9.123 ( -2.204 -7.368 -2.601) 8.118 11.092 ( -3.269 -7.831 -0.272) 8.491 11.446 ( -1.563 -1.332 -1.185) 2.371 12.054 ( 1.337 6.638 -2.454) 7.203 12.701 ( 8.008 -4.513 -0.082) 9.192 13.347 ( 0.787 10.881 1.992) 11.090 13.747 ( -2.710 4.774 1.513) 5.695 13.880 ( 0.009 12.516 0.718) 12.536 15.151 ( -1.197 0.768 -0.313) 1.456 17.300 ( 0.439 -11.337 3.989) 12.026 18.109 ( -2.637 2.987 -3.170) 5.092 18.139 ( 0.178 18.464 5.797) 19.354 19.024 ( -2.796 -8.272 0.143) 8.733 20.754 ( 6.286 6.289 -3.555) 9.576 21.415 ( 2.263 12.272 -0.958) 12.515 21.829 ( -8.399 -7.651 -0.625) 11.379 22.749 ( 4.180 -0.999 1.836) 4.674 ======================= Grid point 40 (29/300) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 2.590 -6.108 -2.399) 7.055 1.988 ( 0.258 -9.683 1.132) 9.752 2.307 ( 4.971 -5.195 3.143) 7.847 2.696 ( -8.628 13.403 -0.029) 15.940 3.530 ( 16.625 0.429 -3.805) 17.060 3.702 ( 0.937 -13.043 8.619) 15.662 3.764 ( -9.991 -2.198 1.733) 10.376 3.874 ( -4.849 -19.807 -9.732) 22.595 4.499 ( 0.168 -1.155 -1.121) 1.619 4.944 ( -0.284 -1.474 2.749) 3.132 5.591 ( -1.268 2.281 -0.602) 2.678 5.850 ( -1.572 -16.193 -1.950) 16.385 6.415 ( 3.644 11.221 3.415) 12.282 7.181 ( -0.445 12.682 -1.559) 12.785 7.435 ( 0.055 10.483 1.021) 10.533 7.720 ( 1.781 5.729 -3.670) 7.033 7.822 ( -0.405 1.516 5.822) 6.030 8.247 ( -0.405 -1.138 -2.261) 2.564 8.761 ( -4.692 -12.039 -0.344) 12.925 9.263 ( -0.397 -9.682 -1.880) 9.871 11.171 ( -0.789 -2.461 0.190) 2.592 11.541 ( -0.885 -9.957 -0.613) 10.015 11.943 ( -0.526 5.117 -1.102) 5.261 12.835 ( 3.983 -4.442 1.337) 6.114 13.039 ( 3.117 20.960 -0.814) 21.206 13.572 ( -2.142 8.371 -0.506) 8.656 13.880 ( -2.157 -6.634 1.719) 7.184 15.137 ( 0.449 0.642 -0.109) 0.791 17.539 ( 0.737 -12.970 2.565) 13.242 17.827 ( -0.783 14.946 -0.183) 14.968 17.993 ( -1.613 6.860 -0.762) 7.088 19.139 ( -1.376 -5.424 1.178) 5.719 20.667 ( 4.352 6.999 -3.353) 8.897 21.240 ( 1.113 7.321 2.100) 7.697 21.904 ( -5.083 -6.161 -1.434) 8.115 22.781 ( 2.161 0.565 0.887) 2.404 ======================= Grid point 41 (30/300) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 4.319 0.000) 4.319 2.122 ( 0.000 -4.606 -0.000) 4.606 2.392 ( -0.000 14.116 0.000) 14.116 2.457 ( 0.000 -6.682 -0.000) 6.682 3.606 ( 0.000 -0.948 -0.000) 0.948 3.747 ( 0.000 -3.793 -0.000) 3.793 3.860 ( 0.000 -3.057 -0.000) 3.057 4.248 ( 0.000 -18.145 -0.000) 18.145 4.440 ( -0.000 5.613 0.000) 5.613 4.998 ( 0.000 -2.753 -0.000) 2.753 5.570 ( 0.000 -1.286 -0.000) 1.286 6.160 ( -0.000 16.549 0.000) 16.549 6.199 ( 0.000 -20.709 -0.000) 20.709 6.924 ( -0.000 14.253 0.000) 14.253 7.284 ( -0.000 5.583 0.000) 5.583 7.644 ( -0.000 3.163 0.000) 3.163 7.791 ( -0.000 2.175 0.000) 2.175 8.268 ( 0.000 -1.883 -0.000) 1.883 8.953 ( 0.000 -10.378 -0.000) 10.378 9.463 ( 0.000 -11.998 -0.000) 11.998 11.196 ( 0.000 -1.037 -0.000) 1.037 11.759 ( 0.000 -12.938 -0.000) 12.938 11.861 ( -0.000 3.090 0.000) 3.090 12.686 ( -0.000 17.827 0.000) 17.827 12.894 ( -0.000 1.071 0.000) 1.071 13.470 ( -0.000 0.881 0.000) 0.881 13.998 ( 0.000 -5.829 -0.000) 5.829 15.128 ( -0.000 0.600 0.000) 0.600 17.599 ( -0.000 8.826 0.000) 8.826 17.790 ( 0.000 -13.238 -0.000) 13.238 17.842 ( -0.000 8.535 0.000) 8.535 19.223 ( 0.000 -4.983 -0.000) 4.983 20.538 ( -0.000 8.603 0.000) 8.603 21.170 ( -0.000 1.381 0.000) 1.381 21.984 ( 0.000 -5.223 -0.000) 5.223 22.762 ( -0.000 2.617 0.000) 2.617 ======================= Grid point 48 (31/300) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.752 0.000 1.300) 2.182 1.034 ( 5.725 0.000 -6.735) 8.840 2.147 ( 1.394 0.000 7.701) 7.826 2.185 ( 17.772 0.000 2.458) 17.942 3.051 ( 34.931 0.000 0.271) 34.932 3.247 ( -11.245 -0.000 -2.310) 11.480 3.535 ( -11.638 -0.000 2.707) 11.949 3.781 ( -8.817 -0.000 -0.759) 8.849 4.276 ( -0.195 -0.000 -9.236) 9.238 5.571 ( 0.419 0.000 -2.438) 2.474 5.662 ( -10.482 -0.000 28.896) 30.739 5.746 ( -9.754 -0.000 -10.509) 14.338 6.672 ( -1.250 -0.000 -20.985) 21.022 7.030 ( 7.848 0.000 -3.073) 8.429 7.648 ( 9.276 0.000 13.889) 16.702 7.915 ( 3.400 0.000 4.432) 5.586 8.070 ( 5.180 0.000 3.201) 6.090 8.433 ( 4.562 0.000 -0.065) 4.562 8.507 ( -18.609 -0.000 -9.346) 20.824 8.832 ( -7.171 -0.000 -2.673) 7.653 10.776 ( -8.094 -0.000 -2.612) 8.505 11.603 ( -1.537 -0.000 -1.615) 2.229 12.396 ( 3.630 0.000 2.873) 4.629 12.426 ( 19.047 0.000 -9.196) 21.151 13.182 ( -13.034 -0.000 14.266) 19.324 13.975 ( 1.304 0.000 0.122) 1.310 15.125 ( 2.421 0.000 -6.916) 7.328 15.147 ( -4.960 -0.000 0.567) 4.992 16.966 ( -1.603 -0.000 1.533) 2.218 17.808 ( -6.065 -0.000 6.138) 8.629 18.721 ( -1.243 -0.000 6.634) 6.749 19.023 ( 2.175 0.000 -3.563) 4.175 21.048 ( -7.148 -0.000 -0.124) 7.149 21.138 ( 9.781 0.000 -0.120) 9.782 22.173 ( -4.377 -0.000 -0.418) 4.397 22.618 ( 5.791 0.000 -0.548) 5.817 ======================= Grid point 49 (32/300) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.944 -12.356 -2.663) 12.675 1.208 ( 1.946 -13.833 -1.803) 14.085 2.161 ( 6.704 1.062 4.092) 7.925 2.457 ( 11.442 -13.808 5.018) 18.621 3.200 ( -8.231 -4.507 -2.645) 9.750 3.334 ( 19.347 -4.411 2.095) 19.954 3.429 ( -7.303 3.286 -0.118) 8.009 3.807 ( -5.236 -9.726 -0.720) 11.069 4.189 ( 0.410 7.520 -7.430) 10.579 5.393 ( -11.069 12.678 10.728) 19.958 5.559 ( -5.194 2.078 -6.951) 8.922 5.786 ( 2.458 -1.926 6.266) 7.001 6.580 ( 3.162 2.821 -8.256) 9.280 7.203 ( 1.775 -10.737 -6.293) 12.572 7.772 ( 7.220 -1.452 13.824) 15.663 7.915 ( 3.037 3.216 3.162) 5.437 8.145 ( 4.147 -3.312 2.194) 5.743 8.308 ( -10.323 6.559 -9.003) 15.187 8.373 ( -5.812 4.585 -2.460) 7.801 8.861 ( -4.028 -6.979 -1.896) 8.278 10.775 ( -5.482 -5.939 -1.629) 8.245 11.555 ( -0.991 3.506 -1.019) 3.784 12.337 ( 4.083 7.446 -1.110) 8.564 12.583 ( 13.520 -2.510 -4.131) 14.358 13.182 ( -11.862 -7.217 10.261) 17.265 13.957 ( 1.419 3.211 0.331) 3.527 14.834 ( 3.122 24.738 -3.396) 25.165 15.160 ( -4.030 -0.384 0.155) 4.051 16.998 ( -0.900 -4.322 1.702) 4.731 17.910 ( -4.182 -11.520 2.943) 12.604 18.713 ( 0.807 2.794 11.531) 11.892 18.910 ( -0.302 9.884 -9.369) 13.622 20.945 ( -0.090 4.356 -0.836) 4.436 21.338 ( 2.618 -11.499 0.013) 11.793 22.028 ( -3.466 11.295 -0.919) 11.851 22.679 ( 3.881 -2.233 0.596) 4.517 ======================= Grid point 50 (33/300) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.408 -19.340 -2.119) 19.460 1.496 ( 0.794 -15.595 -0.023) 15.615 2.205 ( 4.211 -0.204 2.403) 4.852 2.869 ( 7.679 -21.015 4.930) 22.911 3.176 ( -7.548 4.908 0.260) 9.007 3.350 ( -4.809 -6.213 -3.464) 8.586 3.532 ( 12.905 -2.654 -0.149) 13.176 3.917 ( -7.733 4.561 -2.680) 9.370 4.118 ( 1.907 -11.279 -1.403) 11.525 5.125 ( -3.979 10.858 5.183) 12.673 5.494 ( -2.829 -0.272 -3.599) 4.586 5.798 ( 1.017 2.907 1.026) 3.246 6.583 ( 3.691 0.310 0.117) 3.706 7.357 ( 0.183 -5.440 -4.007) 6.758 7.802 ( 0.964 5.424 4.784) 7.296 7.900 ( 6.790 3.264 9.737) 12.311 8.067 ( -3.727 10.771 -7.856) 13.843 8.200 ( -2.337 0.931 -0.938) 2.684 8.318 ( -5.669 -8.545 -2.991) 10.682 8.973 ( -1.518 -7.255 -0.998) 7.479 10.892 ( -2.487 -9.843 -0.591) 10.169 11.473 ( -0.508 3.931 -0.471) 3.992 12.204 ( 1.473 8.470 -1.003) 8.656 12.694 ( 6.409 -2.133 -1.039) 6.834 13.290 ( -5.458 -8.840 3.647) 11.010 13.876 ( 0.816 6.690 0.601) 6.767 14.323 ( 1.709 29.867 -1.157) 29.938 15.142 ( -1.660 -0.243 0.043) 1.679 17.120 ( -0.090 -8.726 1.540) 8.861 18.068 ( -1.954 -5.757 0.034) 6.080 18.524 ( 1.218 20.296 6.044) 21.212 18.851 ( -1.399 -7.112 -4.098) 8.326 20.872 ( 1.348 4.277 -1.187) 4.639 21.555 ( 3.416 -8.542 -0.597) 9.219 21.751 ( -5.073 13.357 -0.168) 14.289 22.746 ( 2.045 -2.135 0.777) 3.057 ======================= Grid point 51 (34/300) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 -15.961 -0.000) 15.961 1.770 ( 0.000 -13.590 -0.000) 13.590 2.248 ( 0.000 -2.795 -0.000) 2.795 2.936 ( -0.000 14.325 0.000) 14.325 3.358 ( 0.000 -25.871 -0.000) 25.871 3.513 ( 0.000 -12.056 -0.000) 12.056 3.650 ( 0.000 -2.903 -0.000) 2.903 3.716 ( -0.000 7.638 0.000) 7.638 4.382 ( 0.000 -11.799 -0.000) 11.799 4.971 ( -0.000 4.758 0.000) 4.758 5.541 ( 0.000 -6.401 -0.000) 6.401 5.729 ( -0.000 3.378 0.000) 3.378 6.570 ( -0.000 3.785 0.000) 3.785 7.355 ( -0.000 5.570 0.000) 5.570 7.654 ( -0.000 11.127 0.000) 11.127 7.851 ( -0.000 8.960 0.000) 8.960 7.871 ( -0.000 3.337 0.000) 3.337 8.206 ( 0.000 -2.446 -0.000) 2.446 8.504 ( 0.000 -13.006 -0.000) 13.006 9.100 ( 0.000 -7.634 -0.000) 7.634 11.065 ( 0.000 -8.793 -0.000) 8.793 11.432 ( 0.000 -0.882 -0.000) 0.882 12.059 ( -0.000 7.401 0.000) 7.401 12.770 ( 0.000 -3.906 -0.000) 3.906 13.350 ( -0.000 5.649 0.000) 5.649 13.730 ( -0.000 9.181 0.000) 9.181 13.881 ( -0.000 13.144 0.000) 13.144 15.142 ( 0.000 -0.115 -0.000) 0.115 17.313 ( 0.000 -11.767 -0.000) 11.767 18.081 ( -0.000 2.803 0.000) 2.803 18.151 ( -0.000 19.930 0.000) 19.930 19.005 ( 0.000 -8.713 -0.000) 8.713 20.790 ( -0.000 5.309 0.000) 5.309 21.445 ( -0.000 13.774 0.000) 13.774 21.751 ( 0.000 -8.397 -0.000) 8.397 22.785 ( 0.000 -1.047 -0.000) 1.047 ======================= Grid point 61 (35/300) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.092 0.000 0.298) 0.312 1.057 ( 0.992 0.000 -2.677) 2.855 2.201 ( 1.590 0.000 2.939) 3.342 2.433 ( 10.962 0.000 1.616) 11.080 3.073 ( -8.291 -0.000 -1.509) 8.427 3.418 ( -4.353 -0.000 0.968) 4.459 3.432 ( 13.498 0.000 0.493) 13.507 3.670 ( -4.676 -0.000 0.294) 4.685 4.281 ( 3.599 0.000 -5.058) 6.208 5.427 ( -12.307 -0.000 1.492) 12.397 5.572 ( 0.409 0.000 -0.801) 0.899 5.784 ( 1.162 0.000 7.299) 7.391 6.588 ( -0.648 -0.000 -8.914) 8.937 7.097 ( 2.386 0.000 -1.147) 2.647 7.873 ( 12.227 0.000 12.427) 17.434 7.963 ( 1.197 0.000 1.488) 1.910 8.132 ( -1.700 -0.000 -2.877) 3.342 8.211 ( -11.223 -0.000 -6.189) 12.817 8.481 ( 1.679 0.000 0.067) 1.680 8.738 ( -3.269 -0.000 -1.507) 3.600 10.682 ( -2.964 -0.000 -0.901) 3.098 11.581 ( -0.604 -0.000 -0.583) 0.840 12.442 ( 1.255 0.000 1.025) 1.620 12.652 ( 13.322 0.000 -6.931) 15.017 13.034 ( -11.251 -0.000 8.960) 14.383 13.994 ( 0.813 0.000 0.035) 0.814 15.093 ( -2.042 -0.000 0.284) 2.062 15.130 ( 0.860 0.000 -2.332) 2.485 16.954 ( -0.583 -0.000 0.557) 0.807 17.763 ( -2.121 -0.000 2.163) 3.030 18.728 ( -0.350 -0.000 2.055) 2.085 19.034 ( 0.696 0.000 -1.231) 1.414 20.973 ( -2.511 -0.000 -0.016) 2.511 21.247 ( 3.985 0.000 -0.008) 3.985 22.120 ( -2.023 -0.000 -0.192) 2.032 22.676 ( 1.961 0.000 -0.118) 1.965 ======================= Grid point 62 (36/300) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 -12.086 -0.000) 12.086 1.216 ( 0.000 -14.018 -0.000) 14.018 2.221 ( 0.000 -0.486 -0.000) 0.486 2.587 ( 0.000 -12.036 -0.000) 12.036 3.089 ( 0.000 -5.223 -0.000) 5.223 3.364 ( -0.000 4.012 0.000) 4.012 3.517 ( 0.000 -3.211 -0.000) 3.211 3.763 ( 0.000 -11.017 -0.000) 11.017 4.187 ( -0.000 9.815 0.000) 9.815 5.297 ( -0.000 8.350 0.000) 8.350 5.520 ( -0.000 3.778 0.000) 3.778 5.824 ( 0.000 -1.043 -0.000) 1.043 6.584 ( 0.000 -0.845 -0.000) 0.845 7.198 ( 0.000 -8.816 -0.000) 8.816 7.903 ( -0.000 3.991 0.000) 3.991 8.019 ( 0.000 -2.633 -0.000) 2.633 8.051 ( -0.000 3.236 0.000) 3.236 8.192 ( 0.000 -2.315 -0.000) 2.315 8.358 ( -0.000 10.631 0.000) 10.631 8.825 ( 0.000 -7.804 -0.000) 7.804 10.728 ( 0.000 -6.170 -0.000) 6.170 11.545 ( -0.000 3.403 0.000) 3.403 12.364 ( -0.000 7.671 0.000) 7.671 12.702 ( 0.000 -0.278 -0.000) 0.278 13.092 ( 0.000 -8.927 -0.000) 8.927 13.970 ( -0.000 3.106 0.000) 3.106 14.850 ( -0.000 23.722 0.000) 23.722 15.129 ( 0.000 -0.278 -0.000) 0.278 16.995 ( 0.000 -4.666 -0.000) 4.666 17.885 ( 0.000 -11.278 -0.000) 11.278 18.748 ( 0.000 -2.531 -0.000) 2.531 18.884 ( -0.000 15.261 0.000) 15.261 20.937 ( -0.000 2.575 0.000) 2.575 21.367 ( 0.000 -9.915 -0.000) 9.915 21.996 ( -0.000 11.640 0.000) 11.640 22.710 ( 0.000 -2.411 -0.000) 2.411 ======================= Grid point 125 (37/300) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 3.751 0.000 21.672) 21.994 0.667 ( -5.304 -0.000 29.847) 30.315 0.952 ( -23.613 -0.000 42.075) 48.248 1.737 ( -0.870 -0.000 3.445) 3.553 2.791 ( -4.395 -0.000 14.207) 14.871 3.635 ( -1.935 -0.000 7.224) 7.479 4.123 ( 4.336 0.000 -2.103) 4.819 4.142 ( -1.498 -0.000 0.277) 1.523 4.696 ( 38.092 0.000 0.860) 38.102 4.809 ( -7.308 -0.000 10.080) 12.450 5.891 ( -10.734 -0.000 -9.905) 14.606 6.135 ( 9.984 0.000 -5.549) 11.422 6.283 ( -20.388 -0.000 6.135) 21.290 6.877 ( -12.256 -0.000 -12.393) 17.430 7.305 ( 3.528 0.000 4.953) 6.081 7.685 ( 4.867 0.000 18.005) 18.651 7.774 ( 3.663 0.000 -6.997) 7.898 8.464 ( -6.309 -0.000 -2.563) 6.809 9.245 ( -1.693 -0.000 1.403) 2.199 9.322 ( -1.987 -0.000 -2.099) 2.890 11.625 ( -2.260 -0.000 -0.246) 2.273 11.673 ( -1.496 -0.000 -4.142) 4.404 12.117 ( 3.082 0.000 4.241) 5.242 12.323 ( -36.758 -0.000 0.540) 36.762 13.354 ( 8.281 0.000 1.426) 8.403 13.941 ( 2.123 0.000 -7.795) 8.079 15.002 ( -30.094 -0.000 -0.290) 30.096 15.391 ( -0.991 -0.000 2.897) 3.062 17.117 ( -2.138 -0.000 7.244) 7.553 18.172 ( 10.288 0.000 1.551) 10.404 18.883 ( -7.847 -0.000 0.762) 7.884 19.711 ( 35.184 0.000 1.071) 35.201 20.591 ( 0.516 0.000 -3.360) 3.399 20.622 ( 7.762 0.000 -9.923) 12.598 21.753 ( -1.105 -0.000 7.151) 7.236 22.361 ( -0.350 -0.000 0.453) 0.573 ======================= Grid point 126 (38/300) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 3.065 -7.668 15.856) 17.878 0.844 ( 14.597 -13.812 17.521) 26.661 1.265 ( -9.152 -23.945 22.291) 33.971 1.839 ( 4.670 -9.980 5.761) 12.433 2.677 ( -5.760 1.827 22.113) 22.923 3.742 ( -5.457 -8.794 7.294) 12.662 4.049 ( -3.715 4.622 -3.190) 6.733 4.194 ( 0.482 -2.385 1.891) 3.082 4.735 ( -9.804 1.618 6.672) 11.969 4.899 ( 35.135 11.905 -0.174) 37.098 5.801 ( -9.251 -0.639 -5.473) 10.768 5.848 ( -9.702 8.889 18.020) 22.313 6.248 ( 12.362 0.813 -3.877) 12.981 6.770 ( -7.321 -1.434 -13.140) 15.110 7.705 ( 5.213 4.145 4.392) 7.977 7.763 ( 4.614 3.705 4.591) 7.489 7.932 ( 4.725 -19.941 -12.732) 24.126 8.560 ( -12.727 -22.096 -13.157) 28.693 9.231 ( -5.295 -1.640 -9.833) 11.288 9.305 ( -4.886 -1.771 1.168) 5.327 11.547 ( -3.871 2.576 -0.133) 4.652 11.735 ( -1.429 -5.401 -4.325) 7.065 11.883 ( -28.080 10.262 13.407) 32.765 12.237 ( -6.033 -5.165 5.405) 9.607 13.483 ( 7.779 -6.386 3.638) 10.702 13.896 ( -1.089 6.734 -4.328) 8.079 14.134 ( 12.403 46.168 30.630) 56.776 15.499 ( -2.831 -0.923 -0.551) 3.028 17.164 ( -1.757 -4.564 7.477) 8.934 18.172 ( 12.741 9.198 4.866) 16.450 18.597 ( -5.808 10.128 10.790) 15.898 19.657 ( -25.275 -3.888 -1.302) 25.605 20.509 ( 8.230 9.203 -3.180) 12.749 21.168 ( 34.795 -7.040 -27.539) 44.929 21.878 ( -5.053 -12.678 3.752) 14.154 22.368 ( 0.418 -0.649 0.318) 0.835 ======================= Grid point 127 (39/300) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 3.204 -20.832 -1.543) 21.133 1.298 ( 18.998 -16.559 7.329) 26.246 1.596 ( -5.941 -15.756 5.913) 17.847 2.169 ( 11.066 -14.509 6.622) 19.412 2.800 ( -0.286 -11.774 16.969) 20.655 3.882 ( -4.598 -1.492 0.217) 4.839 3.896 ( -10.025 -2.026 5.959) 11.837 4.230 ( -0.441 -0.646 3.704) 3.785 4.638 ( -9.975 1.231 5.684) 11.547 4.883 ( 14.909 8.643 6.790) 18.522 5.779 ( -5.171 -2.703 -5.510) 8.025 5.832 ( -0.658 -4.728 10.427) 11.468 6.213 ( 1.192 7.162 -5.566) 9.149 6.820 ( 6.388 -6.698 -10.999) 14.375 7.624 ( 5.102 7.510 -8.121) 12.181 7.717 ( 3.790 7.721 16.535) 18.638 8.010 ( 2.615 4.183 -2.301) 5.443 8.745 ( -11.527 -3.540 -4.004) 12.706 9.253 ( -12.651 -12.343 -27.285) 32.510 9.307 ( -6.223 -3.573 3.425) 7.951 11.481 ( -9.482 1.532 9.237) 13.326 11.599 ( -12.448 3.494 2.926) 13.256 11.812 ( 1.339 -3.484 -5.489) 6.638 12.303 ( 0.290 -2.857 3.495) 4.523 13.528 ( 9.084 26.349 22.418) 35.769 13.704 ( 5.421 -9.860 4.296) 12.044 13.883 ( 5.829 7.613 -3.592) 10.238 15.421 ( -2.817 5.988 1.159) 6.718 17.280 ( -2.564 -7.788 8.455) 11.778 18.081 ( 14.088 12.407 7.733) 20.303 18.452 ( -7.431 4.695 3.619) 9.506 19.559 ( -21.233 -4.812 -2.489) 21.913 20.388 ( 9.020 9.753 1.137) 13.334 21.272 ( 18.504 7.744 -18.814) 27.502 22.085 ( -6.414 -13.142 -0.028) 14.623 22.388 ( 3.332 0.117 1.124) 3.519 ======================= Grid point 128 (40/300) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.246 -18.987 -5.031) 19.909 1.735 ( 16.237 -14.784 3.847) 22.294 1.820 ( -2.329 -11.488 1.077) 11.772 2.462 ( 10.434 -6.382 -1.321) 12.302 3.131 ( 3.523 -18.839 9.886) 21.565 3.674 ( -11.111 7.019 -3.647) 13.639 4.045 ( -8.105 -8.455 9.091) 14.827 4.221 ( -1.691 1.306 5.188) 5.610 4.613 ( -4.234 -4.049 7.971) 9.892 4.874 ( 3.586 1.923 8.325) 9.266 5.756 ( -5.248 -0.160 -6.599) 8.433 5.990 ( -3.746 -10.420 2.738) 11.407 6.050 ( 4.735 9.191 -1.642) 10.468 6.987 ( 11.826 -3.636 -7.806) 14.629 7.496 ( 4.593 7.516 -8.846) 12.483 7.622 ( 2.184 7.816 14.153) 16.315 7.919 ( 1.028 6.215 -0.976) 6.374 8.593 ( -8.247 7.873 0.096) 11.402 9.229 ( -9.759 -0.734 -2.315) 10.056 9.416 ( -12.554 -12.705 -12.298) 21.686 11.371 ( -8.109 3.501 9.293) 12.820 11.561 ( -2.465 -2.661 -2.634) 4.483 11.873 ( -0.464 -4.683 -6.808) 8.276 12.354 ( 4.495 -0.002 0.974) 4.599 13.225 ( 2.525 16.577 18.635) 25.068 13.771 ( 2.991 7.375 -4.673) 9.229 13.928 ( 3.125 -9.091 3.577) 10.257 15.268 ( -2.977 7.805 0.522) 8.369 17.440 ( -2.822 -9.453 9.780) 13.891 17.973 ( 10.926 11.499 7.236) 17.434 18.289 ( -5.864 7.652 -0.799) 9.674 19.487 ( -13.417 -1.803 -1.326) 13.602 20.314 ( 5.016 4.652 3.717) 7.786 21.176 ( 10.386 9.126 -13.786) 19.525 22.244 ( -8.028 -9.957 -2.879) 13.110 22.423 ( 7.549 0.698 2.329) 7.931 ======================= Grid point 129 (41/300) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 1.901 -13.818 -5.271) 14.911 1.983 ( 0.766 -6.740 -0.316) 6.791 2.089 ( 10.168 -10.542 4.025) 15.189 2.570 ( 11.845 0.199 -9.327) 15.078 3.417 ( -14.399 1.196 1.660) 14.544 3.606 ( 6.603 -16.808 3.558) 18.406 4.057 ( -6.300 0.876 -1.248) 6.482 4.218 ( -5.183 -1.887 11.450) 12.709 4.732 ( -4.461 -6.545 12.665) 14.938 4.890 ( 2.645 -0.163 4.865) 5.540 5.684 ( -4.705 1.499 -6.059) 7.817 5.897 ( 1.495 6.540 -7.502) 10.064 6.224 ( 0.897 -12.409 5.563) 13.628 6.995 ( 10.572 11.595 -5.114) 16.503 7.439 ( -0.058 -1.684 -5.403) 5.660 7.547 ( 2.606 5.143 10.186) 11.705 7.807 ( 1.301 5.784 -3.443) 6.855 8.399 ( -4.851 6.800 -0.600) 8.375 9.174 ( -5.843 -0.379 3.229) 6.686 9.492 ( -12.389 -8.096 -4.248) 15.397 11.289 ( -3.457 2.396 4.212) 5.952 11.597 ( -0.264 -2.591 -2.633) 3.704 11.964 ( -2.843 -8.259 -5.459) 10.300 12.366 ( 8.837 4.328 -1.403) 9.940 13.038 ( -3.844 7.171 17.234) 19.058 13.643 ( 1.065 6.937 -3.211) 7.718 14.077 ( 0.337 -4.603 2.277) 5.147 15.116 ( -1.530 6.023 -1.431) 6.377 17.608 ( -2.104 -7.068 8.013) 10.890 17.859 ( 3.696 7.049 3.855) 8.844 18.105 ( -1.678 8.573 1.424) 8.851 19.412 ( -5.009 1.966 -0.025) 5.382 20.289 ( -1.857 0.916 1.802) 2.745 21.087 ( 8.208 4.450 -6.724) 11.506 22.307 ( -8.551 -5.051 -5.005) 11.121 22.487 ( 8.663 0.198 2.116) 8.920 ======================= Grid point 130 (42/300) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.200 -5.785 -4.490) 7.326 2.079 ( 2.814 -2.552 -0.678) 3.858 2.218 ( 0.641 1.610 -0.669) 1.858 2.700 ( 16.651 -4.896 -9.651) 19.859 3.246 ( -14.542 2.192 2.619) 14.938 3.915 ( 1.640 0.471 4.076) 4.419 3.997 ( -1.213 -3.735 -2.464) 4.636 4.307 ( -2.439 -11.016 14.522) 18.390 4.718 ( -8.404 3.565 6.216) 11.043 4.976 ( 4.013 -2.668 7.449) 8.872 5.633 ( -3.178 -0.942 -6.321) 7.137 5.783 ( 4.522 6.652 -6.831) 10.552 6.478 ( -2.451 -14.086 2.363) 14.491 6.776 ( 6.585 15.520 -2.944) 17.114 7.465 ( -5.071 -0.718 1.562) 5.354 7.503 ( 1.441 1.240 2.873) 3.445 7.725 ( 3.483 4.394 -5.667) 7.972 8.296 ( -1.082 1.171 -0.968) 1.865 9.190 ( 0.419 -2.654 7.120) 7.610 9.519 ( -9.368 -4.301 1.878) 10.478 11.243 ( -1.185 1.464 1.676) 2.521 11.636 ( 0.886 -2.091 -3.232) 3.950 12.106 ( -2.907 -9.752 -2.254) 10.423 12.329 ( 8.421 5.572 -2.507) 10.404 12.967 ( -5.950 1.470 16.732) 17.819 13.539 ( -0.267 3.352 -1.158) 3.557 14.104 ( -0.472 1.799 -0.180) 1.869 15.040 ( 0.961 1.206 -2.441) 2.887 17.573 ( -3.816 7.036 -5.854) 9.916 17.891 ( 3.951 -1.125 7.736) 8.759 17.988 ( -2.663 0.102 8.144) 8.569 19.355 ( 1.000 2.202 0.572) 2.485 20.235 ( -6.347 1.366 -3.265) 7.267 21.131 ( 7.631 -2.880 2.870) 8.646 22.298 ( -8.044 -2.477 -6.674) 10.742 22.533 ( 7.202 2.039 0.904) 7.540 ======================= Grid point 131 (43/300) ======================= q-point: (-0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -2.854 3.677 -3.064) 5.573 2.086 ( 0.557 6.628 -6.831) 9.534 2.142 ( 1.384 2.262 2.186) 3.437 2.831 ( -0.346 -1.590 -7.702) 7.872 3.207 ( 1.792 -3.375 3.916) 5.471 3.751 ( 0.676 12.834 -3.671) 13.366 4.056 ( -1.912 -1.748 9.038) 9.402 4.532 ( -4.709 -2.785 16.310) 17.203 4.604 ( -4.208 -0.902 -2.581) 5.018 5.014 ( 3.058 4.183 11.580) 12.686 5.629 ( 3.004 -0.456 -8.041) 8.596 5.723 ( -1.398 -1.670 -6.191) 6.563 6.516 ( 8.133 12.900 4.829) 15.996 6.750 ( -7.674 -14.428 -5.545) 17.257 7.383 ( -3.611 3.865 1.118) 5.407 7.555 ( -2.085 -3.982 0.249) 4.501 7.669 ( 3.793 2.011 -5.473) 6.956 8.333 ( 0.677 -4.846 1.001) 4.995 9.296 ( 5.094 -3.776 9.032) 11.036 9.525 ( -3.275 -1.177 3.506) 4.940 11.225 ( 0.319 0.277 0.565) 0.706 11.673 ( 1.560 -1.480 -2.945) 3.647 12.197 ( 5.846 2.918 1.374) 6.677 12.352 ( -4.146 -8.843 -4.352) 10.693 12.930 ( -6.421 1.936 19.073) 20.218 13.536 ( -0.252 -3.593 -0.886) 3.709 14.017 ( 1.444 7.044 -3.826) 8.145 15.069 ( 2.152 -3.059 -1.406) 3.995 17.389 ( -3.234 6.910 -8.595) 11.492 17.835 ( 1.882 6.143 4.787) 8.012 18.141 ( -2.139 -10.542 10.764) 15.217 19.360 ( 6.448 0.308 0.655) 6.488 20.145 ( -8.566 0.614 -5.986) 10.468 21.291 ( 4.665 -7.012 8.490) 11.959 22.257 ( -7.968 -1.753 -8.369) 11.688 22.520 ( 6.499 5.239 0.054) 8.348 ======================= Grid point 132 (44/300) ======================= q-point: (-0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -6.204 9.228 -0.918) 11.158 1.880 ( -3.161 11.664 -6.221) 13.592 2.106 ( 2.614 5.571 3.998) 7.338 2.752 ( -12.209 2.799 -3.744) 13.073 3.208 ( 4.094 13.704 -2.618) 14.540 3.605 ( 10.099 0.563 0.782) 10.145 4.096 ( -2.811 -2.459 8.608) 9.383 4.478 ( -5.257 0.479 1.456) 5.476 4.504 ( -6.994 12.436 7.187) 15.976 4.941 ( 3.398 8.169 14.087) 16.635 5.725 ( 4.474 -7.564 -7.836) 11.774 5.763 ( -2.541 -4.271 -0.747) 5.025 6.392 ( 6.202 7.443 6.075) 11.436 6.919 ( -9.273 -11.903 -9.724) 17.951 7.307 ( -1.580 2.158 2.252) 3.497 7.557 ( 0.939 0.726 -8.274) 8.358 7.743 ( -0.190 -7.101 2.309) 7.470 8.479 ( 1.983 -9.359 2.815) 9.972 9.399 ( 1.327 -1.237 10.076) 10.238 9.537 ( 9.588 2.462 -1.917) 10.083 11.251 ( 1.819 -2.379 1.414) 3.312 11.696 ( 2.987 0.333 -2.350) 3.815 12.162 ( 3.264 3.742 1.455) 5.174 12.478 ( -5.839 -7.784 -5.581) 11.217 12.907 ( -10.670 -2.571 25.815) 28.051 13.641 ( -0.036 -7.397 -2.773) 7.900 13.863 ( 3.773 10.445 -6.544) 12.890 15.163 ( 2.000 -5.194 0.228) 5.571 17.262 ( 1.843 4.269 -6.037) 7.620 17.755 ( -2.547 2.971 2.481) 4.633 18.330 ( -0.909 -8.479 9.027) 12.418 19.440 ( 14.002 0.012 0.515) 14.011 20.077 ( -11.981 -3.731 -6.457) 14.113 21.457 ( -2.429 -7.243 7.434) 10.660 22.220 ( -5.614 -2.272 -8.136) 10.142 22.441 ( 6.655 8.612 -0.349) 10.890 ======================= Grid point 133 (45/300) ======================= q-point: (-0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -10.559 11.084 2.589) 15.525 1.585 ( -6.377 15.798 -3.127) 17.321 1.995 ( 3.725 9.818 5.906) 12.048 2.482 ( -18.647 14.209 -2.620) 23.590 2.895 ( 1.258 17.480 3.180) 17.811 3.773 ( 13.583 -4.774 -0.158) 14.398 4.124 ( -3.241 0.318 8.714) 9.302 4.188 ( -5.639 13.466 6.954) 16.170 4.467 ( -3.810 -2.748 -3.876) 6.090 4.855 ( 3.981 7.031 15.738) 17.691 5.769 ( -7.247 -2.879 0.167) 7.799 5.901 ( 7.081 -3.835 0.638) 8.078 6.347 ( -0.655 1.552 1.262) 2.105 6.999 ( -8.408 -6.856 -13.076) 16.991 7.306 ( 1.510 -1.228 9.309) 9.510 7.557 ( 0.771 -2.851 -11.474) 11.848 7.880 ( -0.971 -6.971 2.631) 7.514 8.699 ( 3.459 -10.566 3.280) 11.592 9.403 ( -1.727 2.012 8.670) 9.066 9.543 ( 19.703 8.601 -13.125) 25.188 11.356 ( 2.944 -6.421 4.612) 8.436 11.696 ( 4.935 2.287 -1.677) 5.692 12.122 ( -1.276 1.864 0.469) 2.307 12.497 ( -3.015 0.282 -1.879) 3.564 13.010 ( -20.366 -14.718 30.156) 39.252 13.671 ( 4.456 11.810 -6.461) 14.180 13.769 ( -0.475 -7.146 -4.876) 8.664 15.285 ( 1.820 -6.182 1.285) 6.571 17.227 ( 6.708 3.087 0.038) 7.384 17.711 ( -4.986 -1.761 -1.371) 5.463 18.466 ( 0.462 -4.194 7.907) 8.963 19.547 ( 21.946 4.148 0.071) 22.335 20.099 ( -15.276 -12.014 -6.255) 20.416 21.524 ( -12.742 -5.267 -1.028) 13.826 22.232 ( 0.232 -2.257 -4.327) 4.886 22.308 ( 6.567 10.651 -0.079) 12.513 ======================= Grid point 134 (46/300) ======================= q-point: (-0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -15.818 13.331 5.377) 21.373 1.179 ( -10.408 20.738 2.415) 23.329 1.832 ( 4.018 15.298 13.108) 20.542 2.000 ( -22.547 16.241 0.511) 27.792 2.643 ( 0.082 11.697 14.537) 18.659 3.885 ( 3.676 5.104 3.810) 7.354 3.997 ( 5.013 1.768 4.404) 6.903 4.139 ( 0.215 -0.035 1.170) 1.190 4.489 ( -2.886 -2.998 -4.420) 6.071 4.824 ( 1.395 2.557 15.890) 16.155 5.782 ( -9.420 -5.746 6.988) 13.061 5.971 ( 6.428 1.500 1.415) 6.750 6.290 ( -8.682 0.977 -6.016) 10.608 7.001 ( -7.637 -3.359 -12.075) 14.677 7.412 ( 4.679 -4.204 14.691) 15.981 7.625 ( 1.418 -5.979 -11.170) 12.748 7.979 ( -0.154 -3.427 -0.343) 3.448 8.876 ( 5.319 -2.148 -1.192) 5.859 9.357 ( -0.369 3.790 7.078) 8.037 9.439 ( 19.917 13.808 -26.760) 36.104 11.523 ( 0.720 -7.161 3.401) 7.960 11.699 ( 7.046 1.343 1.684) 7.368 12.073 ( -3.690 0.963 -1.250) 4.013 12.467 ( 1.169 1.119 2.369) 2.869 13.274 ( -26.289 -26.168 37.993) 53.098 13.493 ( -1.254 6.283 0.303) 6.415 13.869 ( -1.671 -5.843 -5.810) 8.408 15.419 ( 2.122 -6.170 1.441) 6.682 17.213 ( 4.379 4.497 6.098) 8.751 17.764 ( -0.031 -7.137 -3.708) 8.043 18.526 ( 1.904 0.331 9.363) 9.561 19.602 ( 24.097 8.741 -0.972) 25.651 20.258 ( -11.203 -16.757 -6.268) 21.109 21.457 ( -19.604 -2.461 -12.862) 23.575 22.117 ( 7.149 13.922 -1.221) 15.698 22.303 ( 1.903 -2.612 0.555) 3.279 ======================= Grid point 135 (47/300) ======================= q-point: (-0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -19.535 15.913 7.894) 26.403 0.778 ( -14.234 12.692 20.024) 27.653 1.376 ( -20.178 24.956 28.707) 43.058 1.782 ( -0.928 4.580 3.094) 5.604 2.601 ( 2.661 -3.686 23.089) 23.532 3.762 ( 0.143 8.861 6.203) 10.817 4.062 ( 5.740 -1.509 -3.574) 6.928 4.154 ( 2.079 0.241 1.523) 2.589 4.519 ( 4.211 -1.366 -0.040) 4.428 4.828 ( -3.754 0.084 13.077) 13.605 5.905 ( -8.236 -11.474 6.180) 15.417 5.998 ( -3.893 -6.741 6.515) 10.151 6.168 ( -7.433 2.177 -8.446) 11.460 6.960 ( -9.419 -1.886 -11.141) 14.711 7.561 ( 6.591 -2.836 14.528) 16.203 7.723 ( 2.861 -4.101 -7.407) 8.937 7.917 ( 3.989 17.574 -10.962) 21.093 8.707 ( 5.895 21.959 -20.215) 30.423 9.279 ( 1.190 3.949 -1.072) 4.261 9.337 ( 3.777 2.176 -6.862) 8.129 11.595 ( -2.225 -2.843 -1.758) 4.015 11.734 ( 2.262 2.090 0.774) 3.175 12.061 ( -1.572 -2.598 1.382) 3.336 12.475 ( -4.630 -1.036 -2.801) 5.509 13.352 ( 9.537 6.834 -1.814) 11.872 13.899 ( 3.108 -10.012 1.316) 10.566 14.054 ( -40.149 -63.409 50.562) 90.494 15.524 ( 0.347 -2.365 -0.609) 2.466 17.158 ( -1.377 3.710 7.544) 8.519 17.960 ( 10.751 -10.052 0.203) 14.719 18.577 ( 3.353 -4.661 17.276) 18.205 19.596 ( 32.931 14.705 -1.178) 36.085 20.467 ( -4.893 -12.616 -6.849) 15.166 21.208 ( -24.627 10.994 -28.193) 39.016 21.888 ( 3.579 14.542 1.637) 15.065 22.353 ( 1.264 -0.904 0.851) 1.772 ======================= Grid point 137 (48/300) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.356 0.000 25.076) 25.452 0.881 ( -8.348 -0.000 35.107) 36.085 0.953 ( 42.391 0.000 11.476) 43.917 1.754 ( 1.362 0.000 4.394) 4.600 2.670 ( -15.445 -0.000 24.264) 28.762 3.622 ( -4.146 -0.000 7.330) 8.421 4.099 ( -3.704 -0.000 -0.840) 3.798 4.121 ( -4.398 -0.000 0.519) 4.428 4.662 ( -14.019 -0.000 4.717) 14.792 5.382 ( 41.805 0.000 -23.059) 47.742 5.663 ( -10.010 -0.000 -10.477) 14.490 6.153 ( -4.532 -0.000 17.312) 17.895 6.337 ( 16.922 0.000 -6.029) 17.964 6.647 ( -10.279 -0.000 -12.887) 16.484 7.399 ( 5.809 0.000 5.893) 8.274 7.813 ( 4.913 0.000 -5.407) 7.306 7.830 ( 4.144 0.000 15.843) 16.376 8.352 ( -6.930 -0.000 5.451) 8.817 9.162 ( -8.528 -0.000 -6.820) 10.920 9.245 ( -7.432 -0.000 2.974) 8.005 11.528 ( -17.035 -0.000 4.249) 17.557 11.636 ( -1.028 -0.000 -4.166) 4.291 11.822 ( -16.479 -0.000 13.680) 21.418 12.197 ( 4.657 0.000 4.895) 6.756 13.486 ( 6.183 0.000 6.531) 8.994 13.921 ( 0.092 0.000 -8.219) 8.219 14.840 ( 0.882 0.000 -1.924) 2.117 15.379 ( -2.397 -0.000 3.087) 3.908 17.128 ( -1.407 -0.000 7.469) 7.600 18.282 ( -0.431 -0.000 9.512) 9.522 18.791 ( -1.458 -0.000 -5.556) 5.744 19.312 ( -33.890 -0.000 7.799) 34.776 20.635 ( 7.041 0.000 -3.413) 7.824 21.366 ( 37.367 0.000 -21.857) 43.290 21.773 ( 8.573 0.000 2.128) 8.833 22.344 ( -2.085 -0.000 0.132) 2.089 ======================= Grid point 138 (49/300) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 8.182 -0.407 16.812) 18.702 1.229 ( 3.895 -17.107 17.035) 24.454 1.346 ( 27.408 -5.880 6.722) 28.826 1.975 ( 11.135 -16.609 6.289) 20.962 2.660 ( -8.402 -5.417 23.921) 25.925 3.679 ( -7.387 -7.828 8.071) 13.453 3.954 ( -6.969 6.960 -2.788) 10.236 4.162 ( -5.828 -4.340 3.062) 7.885 4.547 ( -15.400 0.666 3.878) 15.895 5.398 ( 28.724 21.848 -12.987) 38.355 5.620 ( -6.973 -3.975 -9.212) 12.218 5.882 ( -2.136 8.409 22.381) 24.004 6.376 ( 4.483 8.131 -3.220) 9.828 6.690 ( 6.434 -9.716 -11.997) 16.725 7.774 ( 5.001 4.710 -3.398) 7.664 7.875 ( 3.911 1.716 10.582) 11.411 7.943 ( 2.863 -24.202 -8.997) 25.978 8.338 ( -11.105 -8.341 4.103) 14.482 9.043 ( -12.569 1.748 -11.635) 17.216 9.217 ( -8.361 -2.385 4.061) 9.597 11.390 ( -19.940 -0.858 10.068) 22.354 11.590 ( -4.098 2.789 -1.227) 5.107 11.805 ( 4.815 -0.604 -0.353) 4.865 12.268 ( 3.529 -2.417 4.501) 6.209 13.599 ( 3.339 -6.081 7.880) 10.499 13.860 ( -0.200 5.188 -6.877) 8.617 14.411 ( 12.322 34.571 7.021) 37.367 15.442 ( -4.682 -1.768 0.939) 5.092 17.168 ( -2.347 -4.098 8.298) 9.548 18.298 ( -2.352 -0.305 7.674) 8.032 18.591 ( 3.949 13.985 3.344) 14.912 19.236 ( -24.310 -9.018 -1.666) 25.982 20.617 ( 8.979 7.210 -1.665) 11.636 21.516 ( 12.499 1.212 -17.008) 21.142 21.866 ( 6.908 -2.172 1.520) 7.399 22.376 ( 1.410 -3.602 -0.757) 3.941 ======================= Grid point 139 (50/300) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 9.562 -15.342 -1.758) 18.163 1.562 ( -2.195 -15.274 6.427) 16.716 1.673 ( 23.333 -8.523 7.232) 25.872 2.393 ( 16.953 -12.464 1.523) 21.097 2.861 ( -1.465 -14.779 17.934) 23.285 3.734 ( -10.162 8.253 -2.737) 13.374 3.810 ( -9.711 -10.261 7.983) 16.227 4.196 ( -5.659 -2.782 3.780) 7.352 4.463 ( -13.991 -3.832 7.624) 16.388 5.150 ( 14.222 17.833 2.442) 22.940 5.641 ( -5.328 -4.881 -8.943) 11.497 5.865 ( -4.068 -0.749 4.391) 6.033 6.257 ( 7.311 7.133 3.249) 10.718 6.922 ( 11.690 -9.128 -9.796) 17.775 7.685 ( 6.818 8.177 -5.732) 12.091 7.829 ( 2.034 8.126 14.394) 16.654 8.039 ( 2.818 5.683 -4.050) 7.526 8.533 ( -14.341 -10.926 1.633) 18.103 8.927 ( -16.398 -7.965 -17.484) 25.259 9.214 ( -7.762 -3.267 2.943) 8.921 11.317 ( -14.575 -2.618 9.659) 17.680 11.517 ( -2.106 1.350 -1.465) 2.899 11.848 ( 6.348 0.377 -6.300) 8.951 12.354 ( 3.978 -2.890 3.327) 5.937 13.633 ( -0.956 14.532 4.209) 15.160 13.798 ( 3.407 -6.017 4.385) 8.188 14.008 ( 9.941 18.794 2.199) 21.375 15.366 ( -4.990 5.144 1.388) 7.299 17.278 ( -2.907 -7.804 9.590) 12.701 18.244 ( -0.637 6.820 1.050) 6.930 18.413 ( 4.184 10.503 6.333) 12.959 19.235 ( -19.086 -9.578 -1.178) 21.387 20.527 ( 9.872 9.573 0.100) 13.752 21.431 ( 9.792 11.313 -15.050) 21.222 21.990 ( -5.778 -9.485 1.490) 11.206 22.465 ( 6.450 -2.432 0.222) 6.896 ======================= Grid point 140 (51/300) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 8.062 -15.790 -7.422) 19.220 1.814 ( -0.202 -12.091 3.005) 12.461 2.006 ( 14.580 -9.288 7.247) 18.744 2.644 ( 16.514 -2.125 -5.889) 17.661 3.211 ( 0.490 -17.224 9.440) 19.647 3.501 ( -9.275 5.062 -1.971) 10.748 3.925 ( -12.073 -8.165 6.891) 16.122 4.176 ( -6.442 0.264 3.945) 7.559 4.548 ( -7.953 -10.769 13.262) 18.844 5.002 ( 6.768 7.856 4.630) 11.356 5.652 ( -3.930 -1.328 -7.789) 8.824 5.826 ( -9.006 -2.473 -6.413) 11.329 6.259 ( 12.710 3.446 9.056) 15.982 7.120 ( 9.333 -4.224 -7.324) 12.593 7.547 ( 6.511 10.968 -6.735) 14.424 7.708 ( 1.708 7.983 11.854) 14.393 7.922 ( 0.563 6.653 -3.297) 7.446 8.457 ( -9.723 4.613 1.039) 10.812 8.996 ( -16.198 -12.185 -6.231) 21.205 9.246 ( -7.078 -6.197 -0.097) 9.407 11.283 ( -7.495 -0.602 5.291) 9.194 11.522 ( -2.849 -3.890 0.633) 4.864 11.864 ( 3.475 -0.190 -7.829) 8.568 12.446 ( 6.962 -1.856 0.975) 7.271 13.318 ( 1.986 18.730 9.689) 21.181 13.791 ( 1.572 9.151 -4.599) 10.361 13.968 ( -0.295 -6.528 6.090) 8.932 15.219 ( -3.432 6.663 0.123) 7.496 17.446 ( -2.337 -9.950 10.470) 14.631 18.052 ( -2.445 11.450 -4.104) 12.406 18.276 ( 2.732 9.130 7.035) 11.845 19.283 ( -12.688 -7.860 1.477) 14.998 20.428 ( 9.349 9.015 -0.113) 12.988 21.261 ( 6.888 9.652 -9.117) 14.958 22.097 ( -9.534 -8.081 -2.523) 12.750 22.557 ( 8.473 -1.008 1.074) 8.600 ======================= Grid point 141 (52/300) ======================= q-point: ( 0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 6.491 -11.052 -7.220) 14.710 2.006 ( 1.405 -7.526 1.446) 7.791 2.221 ( 4.713 -3.416 3.648) 6.869 2.763 ( 17.384 -0.053 -8.630) 19.408 3.201 ( -12.835 4.051 -0.091) 13.460 3.724 ( 5.528 -19.557 3.021) 20.547 3.949 ( -7.635 -1.688 2.953) 8.358 4.155 ( -8.286 -4.201 9.446) 13.249 4.682 ( -7.811 -4.043 13.787) 16.354 4.980 ( 4.253 0.001 3.906) 5.775 5.598 ( -2.928 1.464 -6.390) 7.180 5.833 ( -2.955 -4.175 -9.234) 10.556 6.328 ( 6.948 -0.723 7.451) 10.214 7.101 ( 5.385 11.877 -3.563) 13.518 7.417 ( 0.659 2.813 -5.256) 5.998 7.617 ( 0.947 6.295 7.141) 9.566 7.822 ( 3.604 4.364 -4.396) 7.167 8.316 ( -5.577 3.327 -0.801) 6.543 9.082 ( -9.100 -8.581 5.153) 13.528 9.322 ( -7.236 -7.725 -0.392) 10.592 11.250 ( -3.418 0.416 2.267) 4.123 11.595 ( -0.108 -4.234 1.054) 4.365 11.899 ( -1.908 -5.392 -5.979) 8.274 12.509 ( 10.781 3.095 -3.067) 11.628 13.070 ( -0.807 10.518 13.968) 17.504 13.630 ( -1.121 7.288 -3.234) 8.051 14.065 ( -3.423 -4.084 3.454) 6.350 15.097 ( -0.040 4.434 -1.668) 4.737 17.619 ( -0.349 -4.438 4.689) 6.466 17.826 ( -5.979 4.682 -1.504) 7.742 18.142 ( 1.215 8.909 7.785) 11.893 19.316 ( -7.528 -3.741 1.519) 8.542 20.334 ( 7.953 8.261 -2.453) 11.726 21.182 ( 6.046 2.609 -0.605) 6.613 22.131 ( -10.812 -5.227 -5.734) 13.308 22.626 ( 8.042 0.678 0.762) 8.106 ======================= Grid point 142 (53/300) ======================= q-point: ( 0.55 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 4.482 -2.374 -4.682) 6.903 2.118 ( 2.080 -3.030 0.121) 3.677 2.220 ( 1.073 4.644 -2.880) 5.568 2.797 ( -4.530 2.188 -7.030) 8.645 3.171 ( 8.212 -4.650 2.310) 9.715 3.891 ( -2.810 3.232 -2.772) 5.102 3.991 ( -2.468 -5.661 3.880) 7.293 4.344 ( -0.645 -16.251 15.640) 22.563 4.611 ( -8.900 5.660 5.769) 12.022 5.055 ( 1.640 -2.797 7.172) 7.871 5.564 ( -2.039 -1.577 -5.558) 6.127 5.832 ( 6.069 4.804 -8.568) 11.546 6.435 ( -4.276 -9.197 1.313) 10.227 6.859 ( 4.927 15.507 -0.202) 16.272 7.380 ( -5.226 0.511 0.451) 5.271 7.535 ( 1.260 2.606 -0.097) 2.896 7.766 ( 4.520 5.037 -4.255) 7.994 8.270 ( -1.892 -1.642 -0.568) 2.569 9.207 ( -4.954 -8.478 10.119) 14.100 9.420 ( -2.456 -7.088 0.981) 7.565 11.229 ( -1.414 0.208 1.103) 1.805 11.659 ( 3.288 -1.462 -1.488) 3.893 12.018 ( -6.618 -11.512 -1.383) 13.351 12.457 ( 9.220 9.339 -4.800) 13.974 12.988 ( -0.926 2.680 16.623) 16.863 13.514 ( -2.125 2.532 -1.342) 3.568 14.080 ( -2.551 0.358 0.115) 2.579 15.058 ( 2.383 0.392 -2.142) 3.228 17.494 ( -1.852 9.050 -9.065) 12.942 17.928 ( -3.653 -11.612 10.141) 15.844 18.000 ( -0.948 8.430 7.907) 11.597 19.331 ( -4.465 -3.286 0.608) 5.577 20.232 ( 8.005 8.532 -4.589) 12.567 21.242 ( 3.656 -3.392 6.589) 8.264 22.112 ( -10.418 -3.576 -7.995) 13.610 22.651 ( 6.749 2.949 -0.044) 7.366 ======================= Grid point 143 (54/300) ======================= q-point: (-0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.057 7.685 -1.659) 7.933 2.058 ( 0.417 10.056 -6.753) 12.120 2.179 ( 1.350 0.406 2.144) 2.566 2.682 ( -11.426 0.554 -5.913) 12.877 3.365 ( 13.303 -2.336 1.550) 13.595 3.766 ( 3.271 8.475 -2.246) 9.357 4.038 ( -5.163 -2.712 8.376) 10.207 4.440 ( -8.852 3.844 -3.118) 10.141 4.597 ( -2.022 -3.960 15.151) 15.790 5.087 ( -0.309 2.643 10.097) 10.442 5.601 ( -0.360 -4.399 -4.772) 6.500 5.759 ( 6.913 3.188 -5.934) 9.652 6.595 ( -7.000 -10.832 -4.099) 13.533 6.646 ( 4.399 10.266 0.707) 11.191 7.320 ( -4.561 1.150 3.562) 5.900 7.551 ( 1.328 -1.425 -2.479) 3.153 7.701 ( 3.011 2.423 -3.812) 5.428 8.338 ( -0.348 -6.594 0.710) 6.641 9.328 ( -6.671 -6.265 10.893) 14.227 9.560 ( 6.802 -5.980 -0.298) 9.062 11.230 ( 0.034 -1.001 0.956) 1.385 11.701 ( 3.725 -0.858 -3.274) 5.033 12.187 ( -8.239 -12.057 1.213) 14.654 12.323 ( 3.166 8.555 -3.765) 9.869 12.962 ( -1.223 4.164 19.637) 20.111 13.521 ( -0.690 -4.562 -1.578) 4.876 14.020 ( 1.176 4.966 -3.480) 6.177 15.098 ( 1.954 -2.995 -1.034) 3.723 17.338 ( 1.713 4.894 -7.924) 9.469 17.852 ( -2.974 7.718 7.658) 11.272 18.140 ( -3.538 -11.661 8.451) 14.830 19.398 ( -2.093 -7.194 -0.017) 7.492 20.125 ( 9.116 8.952 -4.863) 13.671 21.342 ( -3.621 -4.552 7.229) 9.278 22.094 ( -6.272 -3.948 -7.541) 10.573 22.618 ( 5.467 5.511 -0.876) 7.812 ======================= Grid point 144 (55/300) ======================= q-point: (-0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -2.051 13.301 1.766) 13.573 1.820 ( -1.097 13.744 -5.315) 14.777 2.145 ( -0.031 4.448 2.422) 5.065 2.554 ( -9.988 5.229 -4.492) 12.136 3.267 ( 4.911 18.534 -1.604) 19.241 3.788 ( 11.763 -3.729 1.669) 12.452 4.065 ( -5.745 -2.988 7.634) 10.011 4.341 ( -7.565 0.910 -6.767) 10.190 4.491 ( -2.893 11.867 14.015) 18.590 5.025 ( -0.906 5.371 12.680) 13.800 5.676 ( -0.383 -3.871 -1.959) 4.355 5.842 ( 5.280 -5.977 -1.115) 8.052 6.461 ( -0.203 9.332 2.176) 9.585 6.760 ( -3.787 -10.441 -12.531) 16.745 7.312 ( -0.336 -1.103 7.857) 7.941 7.530 ( 0.295 1.715 -7.872) 8.062 7.760 ( 1.168 -5.828 1.327) 6.090 8.508 ( 0.470 -11.207 1.427) 11.307 9.383 ( -6.122 -2.963 8.794) 11.117 9.700 ( 11.132 -1.393 -7.121) 13.288 11.283 ( 1.047 -4.062 3.043) 5.182 11.732 ( 3.266 -0.382 -4.761) 5.786 12.184 ( -1.391 6.264 -2.097) 6.751 12.319 ( -10.705 -9.341 -0.541) 14.218 12.919 ( -3.932 2.917 27.357) 27.792 13.630 ( 0.549 -6.979 -3.575) 7.861 13.903 ( 4.959 9.164 -5.249) 11.667 15.185 ( 0.508 -5.401 0.455) 5.444 17.316 ( 8.106 0.704 -3.526) 8.867 17.711 ( -5.344 5.326 6.232) 9.786 18.329 ( -3.828 -9.880 6.663) 12.516 19.573 ( 0.608 -12.517 -0.956) 12.568 20.021 ( 9.726 9.119 -3.631) 13.817 21.356 ( -12.624 -2.843 0.311) 12.944 22.146 ( 0.284 -5.100 -2.987) 5.917 22.528 ( 4.164 8.027 -1.594) 9.182 ======================= Grid point 145 (56/300) ======================= q-point: (-0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.248 16.128 5.657) 17.611 1.507 ( -1.568 18.589 -3.420) 18.966 2.027 ( -4.606 7.245 -0.157) 8.587 2.267 ( -5.214 18.311 2.553) 19.209 2.948 ( 3.225 17.537 5.185) 18.570 3.934 ( 4.725 -3.131 -1.605) 5.891 4.102 ( -2.646 -1.437 7.486) 8.069 4.146 ( -3.302 9.629 6.291) 11.967 4.432 ( 1.816 -2.107 1.124) 3.000 4.938 ( -2.774 5.622 13.979) 15.320 5.713 ( -0.347 -0.498 3.841) 3.889 5.968 ( 0.447 -4.125 -0.044) 4.149 6.305 ( -4.080 5.662 -3.357) 7.745 6.856 ( -1.414 -4.701 -13.820) 14.666 7.397 ( 2.993 -4.657 13.956) 15.014 7.518 ( 0.948 -2.857 -10.738) 11.152 7.885 ( 0.327 -6.142 1.838) 6.419 8.734 ( -0.299 -11.855 0.884) 11.891 9.389 ( -4.190 -0.226 6.571) 7.797 9.709 ( 10.629 6.921 -22.182) 25.552 11.408 ( 0.572 -7.102 6.490) 9.638 11.740 ( 1.303 0.082 -5.062) 5.227 12.058 ( -7.269 3.342 -3.202) 8.617 12.370 ( -9.500 -5.094 -0.432) 10.788 12.951 ( -6.335 -4.195 38.730) 39.468 13.729 ( 5.063 5.038 -5.387) 8.947 13.766 ( 3.428 0.389 -4.070) 5.336 15.305 ( 0.124 -7.063 1.331) 7.189 17.359 ( 7.935 4.370 4.492) 10.111 17.655 ( -1.209 -3.600 2.419) 4.503 18.466 ( -4.347 -6.649 5.905) 9.899 19.850 ( -3.881 -17.623 -4.927) 18.705 19.927 ( 15.556 9.492 0.542) 18.231 21.280 ( -13.819 -1.531 -8.196) 16.140 22.246 ( 2.782 -3.738 0.290) 4.669 22.382 ( 2.389 9.818 -1.860) 10.274 ======================= Grid point 146 (57/300) ======================= q-point: (-0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -5.677 20.527 4.285) 21.724 1.108 ( 1.339 22.314 4.190) 22.744 1.721 ( -14.486 18.171 5.236) 23.822 1.985 ( 8.421 13.877 10.120) 19.129 2.722 ( 1.139 10.476 15.634) 18.854 3.909 ( -2.266 7.267 6.642) 10.103 4.020 ( -5.182 -2.255 -0.375) 5.664 4.181 ( 4.268 -1.024 2.018) 4.831 4.540 ( 10.919 -4.655 2.886) 12.216 4.843 ( -7.214 3.390 12.614) 14.922 5.732 ( -1.478 -1.385 11.257) 11.438 5.967 ( -7.560 1.462 -4.476) 8.906 6.204 ( 1.922 1.912 -4.798) 5.511 6.851 ( -3.328 -0.282 -13.328) 13.740 7.564 ( 5.105 -4.920 15.174) 16.748 7.612 ( 3.102 -7.926 -7.797) 11.543 7.985 ( 1.390 -3.532 -1.034) 3.934 8.881 ( -3.245 -2.787 -4.418) 6.150 9.356 ( -3.426 2.226 5.958) 7.224 9.488 ( 3.527 15.137 -37.311) 40.419 11.526 ( -1.703 -3.470 2.704) 4.718 11.754 ( -1.837 -3.023 1.704) 3.926 11.935 ( -15.061 -0.097 -2.384) 15.249 12.355 ( -10.680 -0.552 1.493) 10.798 13.244 ( 1.771 -22.919 49.705) 54.763 13.585 ( 8.547 10.526 -0.256) 13.561 13.853 ( 2.102 -4.584 -6.592) 8.300 15.439 ( -0.223 -6.532 1.157) 6.638 17.274 ( -0.480 7.371 7.455) 10.494 17.849 ( 11.011 -10.897 3.959) 15.989 18.532 ( -5.314 -3.307 7.545) 9.803 19.819 ( -5.564 3.239 -1.978) 6.735 20.205 ( 12.371 -14.135 -2.894) 19.006 21.190 ( -2.359 1.170 -16.939) 17.142 22.154 ( -1.138 12.668 -2.070) 12.886 22.343 ( 2.337 -1.720 1.400) 3.222 ======================= Grid point 149 (58/300) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.557 -0.000 24.214) 24.264 0.963 ( 4.650 0.000 18.040) 18.630 1.697 ( 48.474 0.000 5.280) 48.761 1.836 ( 7.016 0.000 6.543) 9.594 2.579 ( -11.568 -0.000 26.894) 29.276 3.564 ( -7.630 -0.000 6.597) 10.087 3.999 ( -11.954 -0.000 2.409) 12.195 4.031 ( -4.614 -0.000 -0.708) 4.669 4.444 ( -15.592 -0.000 0.536) 15.602 5.524 ( -2.958 -0.000 -8.162) 8.681 5.694 ( 12.720 0.000 -16.114) 20.530 6.189 ( -1.123 -0.000 7.464) 7.548 6.485 ( -5.047 -0.000 -2.652) 5.702 6.569 ( 16.805 0.000 -6.549) 18.036 7.532 ( 8.142 0.000 6.239) 10.257 7.874 ( 5.840 0.000 -4.346) 7.280 7.945 ( 2.472 0.000 13.779) 13.999 8.318 ( -0.762 -0.000 4.334) 4.401 8.937 ( -15.434 -0.000 -10.529) 18.683 9.128 ( -10.047 -0.000 3.889) 10.773 11.239 ( -20.535 -0.000 9.658) 22.693 11.603 ( -1.081 -0.000 -3.985) 4.129 11.847 ( 8.739 0.000 -0.190) 8.741 12.292 ( 5.019 0.000 3.814) 6.303 13.576 ( 0.323 0.000 10.179) 10.184 13.884 ( 0.239 0.000 -8.686) 8.690 14.878 ( 5.255 0.000 -5.886) 7.890 15.344 ( -4.171 -0.000 3.676) 5.560 17.130 ( -2.942 -0.000 8.411) 8.911 18.226 ( -11.774 -0.000 11.384) 16.377 18.808 ( 6.458 0.000 -7.374) 9.802 18.963 ( -16.770 -0.000 1.784) 16.865 20.767 ( 11.666 0.000 -2.745) 11.984 21.433 ( -8.788 -0.000 4.372) 9.815 22.080 ( 25.365 0.000 -14.219) 29.079 22.299 ( -3.657 -0.000 -0.322) 3.671 ======================= Grid point 150 (59/300) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.591 -1.154 12.452) 14.629 1.270 ( -1.912 -15.890 11.149) 19.506 1.824 ( 23.456 2.666 7.855) 24.880 2.297 ( 30.160 -15.532 2.699) 34.031 2.646 ( -6.961 -9.610 24.732) 27.431 3.577 ( -10.477 -6.736 6.875) 14.227 3.810 ( -10.937 7.683 -1.160) 13.416 4.068 ( -7.340 -5.367 3.389) 9.704 4.326 ( -14.857 -0.498 1.449) 14.936 5.522 ( -1.460 -2.605 -7.074) 7.678 5.612 ( 7.218 15.585 -14.881) 22.726 5.924 ( -2.424 12.243 11.980) 17.300 6.419 ( 3.338 4.300 7.344) 9.142 6.821 ( 14.083 -9.724 -10.383) 20.017 7.830 ( 2.874 -0.708 1.155) 3.177 7.943 ( 5.305 -13.338 -7.716) 16.297 7.978 ( 0.259 -2.868 13.940) 14.234 8.267 ( -1.911 4.318 3.732) 6.019 8.765 ( -16.959 2.088 -11.491) 20.592 9.091 ( -9.797 -3.308 3.125) 10.802 11.148 ( -16.632 -3.537 8.515) 19.017 11.552 ( -1.105 3.089 -2.985) 4.435 11.918 ( 11.000 0.866 -4.691) 11.990 12.350 ( 4.699 -1.642 3.331) 5.989 13.629 ( -4.625 -3.889 9.356) 11.138 13.841 ( 1.889 2.929 -7.483) 8.255 14.585 ( 9.414 27.642 -0.173) 29.202 15.366 ( -6.095 -1.158 2.283) 6.611 17.161 ( -3.526 -4.212 9.114) 10.642 18.206 ( -10.612 -3.721 4.747) 12.206 18.716 ( 8.488 11.426 2.330) 14.424 18.929 ( -14.616 -6.655 -4.897) 16.790 20.770 ( 11.172 7.701 -0.499) 13.578 21.467 ( -7.414 -6.839 -0.811) 10.119 22.011 ( 7.628 11.309 -4.974) 14.520 22.425 ( 6.652 -7.079 -3.435) 10.303 ======================= Grid point 151 (60/300) ======================= q-point: ( 0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 10.181 -12.327 -1.279) 16.039 1.560 ( -1.704 -15.295 5.846) 16.462 2.018 ( 15.971 -3.903 9.294) 18.887 2.718 ( 26.214 -6.332 -2.697) 27.103 2.918 ( -0.593 -16.694 16.740) 23.648 3.557 ( -11.775 9.100 -1.948) 15.009 3.665 ( -12.909 -9.796 7.143) 17.709 4.114 ( -6.136 -2.709 0.843) 6.760 4.304 ( -11.958 -9.329 10.777) 18.606 5.293 ( 3.542 17.265 -1.449) 17.684 5.545 ( -2.980 -3.154 -6.592) 7.892 5.791 ( -4.131 3.794 -0.733) 5.657 6.431 ( 9.821 2.689 10.568) 14.675 7.059 ( 11.329 -7.570 -10.056) 16.935 7.778 ( 7.610 7.569 -2.015) 10.921 7.900 ( 0.143 8.106 10.830) 13.528 8.052 ( 1.425 7.978 -6.020) 10.095 8.359 ( -10.679 -11.217 7.774) 17.329 8.614 ( -16.068 -6.326 -12.618) 21.387 9.109 ( -7.114 -4.802 2.346) 8.898 11.149 ( -11.899 -6.149 6.445) 14.863 11.485 ( -1.513 1.946 -1.328) 2.800 11.939 ( 8.944 3.684 -7.248) 12.087 12.445 ( 6.200 -3.384 2.632) 7.538 13.598 ( -4.924 6.185 2.003) 8.155 13.825 ( -0.164 -1.528 -1.181) 1.938 14.168 ( 8.777 23.305 3.770) 25.186 15.289 ( -5.812 4.093 1.708) 7.310 17.273 ( -3.518 -8.432 10.023) 13.562 18.156 ( -6.012 3.475 -4.972) 8.541 18.532 ( 3.689 13.662 4.636) 14.892 18.999 ( -10.966 -11.463 1.333) 15.920 20.688 ( 10.521 9.636 0.573) 14.279 21.451 ( 1.605 5.783 -8.724) 10.589 21.918 ( -4.995 -1.538 0.476) 5.248 22.574 ( 7.611 -3.767 -1.502) 8.624 ======================= Grid point 152 (61/300) ======================= q-point: ( 0.45 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 10.125 -13.436 -7.130) 18.273 1.825 ( -0.724 -12.910 3.860) 13.494 2.205 ( 7.279 -3.939 6.838) 10.736 2.923 ( 21.965 2.564 -5.198) 22.717 3.179 ( -6.726 -0.773 0.048) 6.770 3.422 ( -1.802 -12.395 3.816) 13.094 3.769 ( -11.575 -9.878 9.964) 18.189 4.071 ( -8.779 -0.090 1.810) 8.964 4.503 ( -6.121 -12.822 14.678) 20.428 5.077 ( 0.690 7.711 1.381) 7.864 5.569 ( -2.728 -2.972 -6.144) 7.350 5.705 ( -3.611 0.672 -3.779) 5.269 6.475 ( 9.982 3.882 8.143) 13.454 7.198 ( 5.568 -1.635 -7.705) 9.645 7.620 ( 5.543 14.374 -4.843) 16.149 7.768 ( -0.300 7.826 7.874) 11.106 7.921 ( 2.832 4.709 -4.203) 6.919 8.314 ( -9.544 2.511 0.799) 9.901 8.753 ( -13.111 -16.550 0.908) 21.134 9.168 ( -3.989 -5.732 2.248) 7.336 11.193 ( -6.517 -4.197 3.120) 8.356 11.482 ( -2.828 -4.026 1.896) 5.272 11.903 ( 5.572 3.927 -7.358) 10.031 12.568 ( 8.420 -3.090 0.446) 8.980 13.373 ( 1.078 15.805 4.259) 16.404 13.762 ( -2.315 7.914 -5.597) 9.966 13.984 ( -1.379 0.793 8.153) 8.307 15.172 ( -2.613 4.535 -0.134) 5.235 17.452 ( -3.097 -11.033 10.079) 15.261 17.959 ( -3.492 11.292 -10.525) 15.826 18.333 ( -1.102 10.073 8.002) 12.912 19.135 ( -7.700 -9.248 2.801) 12.356 20.588 ( 11.189 10.095 -0.011) 15.069 21.316 ( 4.974 7.742 -4.587) 10.282 21.939 ( -9.675 -5.586 -2.547) 11.458 22.674 ( 6.520 -1.542 -0.736) 6.740 ======================= Grid point 153 (62/300) ======================= q-point: ( 0.55 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 9.082 -9.163 -7.017) 14.686 2.025 ( -0.268 -8.296 2.132) 8.570 2.283 ( 3.179 0.532 0.248) 3.233 2.837 ( -8.815 9.481 -3.822) 13.498 3.195 ( 16.613 -2.640 -1.672) 16.905 3.733 ( -3.744 -14.448 -6.159) 16.147 3.904 ( -3.139 -4.928 10.283) 11.827 4.078 ( -6.291 -11.514 12.481) 18.108 4.629 ( -6.469 -1.274 12.399) 14.043 5.025 ( -0.566 -1.022 3.025) 3.242 5.542 ( -0.975 1.775 -5.654) 6.006 5.769 ( -0.271 -9.390 -6.483) 11.414 6.447 ( 4.027 6.786 4.513) 9.090 7.133 ( 1.549 10.269 -2.711) 10.734 7.419 ( 2.066 7.409 -4.342) 8.833 7.622 ( -2.271 6.690 0.816) 7.112 7.889 ( 6.245 4.307 -1.416) 7.717 8.228 ( -5.070 -0.166 -1.340) 5.246 8.956 ( -10.092 -13.780 8.150) 18.925 9.276 ( -0.471 -7.490 3.120) 8.127 11.209 ( -2.779 -1.229 1.043) 3.213 11.595 ( -1.376 -8.269 4.093) 9.329 11.866 ( 1.111 0.607 -6.047) 6.178 12.649 ( 9.292 2.927 -4.958) 10.931 13.130 ( 1.148 10.927 11.496) 15.902 13.584 ( -2.496 7.138 -3.228) 8.222 14.011 ( -5.697 -3.596 4.350) 8.020 15.098 ( 1.040 2.493 -2.015) 3.370 17.632 ( 0.887 0.190 -0.756) 1.180 17.719 ( -6.701 -0.238 -1.367) 6.843 18.169 ( -2.480 8.714 9.658) 13.242 19.214 ( -6.193 -4.853 0.452) 7.881 20.490 ( 12.631 10.217 -0.710) 16.262 21.259 ( 3.032 1.795 2.583) 4.368 21.948 ( -9.164 -4.397 -5.971) 11.788 22.725 ( 4.834 0.506 -1.033) 4.969 ======================= Grid point 154 (63/300) ======================= q-point: (-0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 6.296 0.424 -3.387) 7.162 2.136 ( -0.007 -3.612 0.417) 3.635 2.243 ( 4.917 6.537 -5.135) 9.658 2.597 ( -14.465 3.607 -4.899) 15.692 3.410 ( 17.707 -4.734 1.992) 18.437 3.834 ( -3.390 -1.452 -2.331) 4.363 3.935 ( -6.438 -5.178 3.439) 8.950 4.407 ( -1.420 -14.417 14.574) 20.549 4.521 ( -4.395 6.756 6.651) 10.450 5.076 ( -2.717 -3.295 5.723) 7.141 5.527 ( -0.200 -2.329 -3.873) 4.524 5.895 ( 7.546 0.998 -9.687) 12.320 6.359 ( -6.059 -1.969 -0.133) 6.372 6.918 ( 2.367 13.174 1.379) 13.455 7.327 ( -2.252 3.020 1.969) 4.251 7.546 ( 1.694 0.601 -3.600) 4.024 7.812 ( 2.764 6.756 -2.113) 7.599 8.239 ( -1.273 -3.582 -1.419) 4.058 9.131 ( -8.796 -10.553 10.029) 17.009 9.454 ( 3.824 -9.373 3.610) 10.747 11.213 ( -1.110 -0.845 0.810) 1.612 11.720 ( 5.054 -1.626 -0.079) 5.309 11.909 ( -6.889 -9.296 -0.698) 11.592 12.543 ( 4.865 11.511 -6.627) 14.145 13.065 ( 0.967 2.726 15.776) 16.039 13.476 ( -1.653 1.550 -1.233) 2.580 14.035 ( -3.223 -1.973 0.531) 3.816 15.083 ( 1.905 0.027 -2.673) 3.282 17.454 ( 2.241 8.324 -8.887) 12.381 17.882 ( -6.601 -10.922 5.109) 13.747 18.018 ( -2.080 7.045 11.907) 13.991 19.251 ( -4.896 -4.826 -1.367) 7.009 20.401 ( 14.133 10.383 -0.601) 17.547 21.268 ( -4.777 -1.219 4.701) 6.812 21.961 ( -3.746 -4.621 -5.970) 8.428 22.723 ( 3.045 2.715 -1.724) 4.429 ======================= Grid point 155 (64/300) ======================= q-point: (-0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 2.965 10.427 0.721) 10.864 2.056 ( 3.311 12.413 -5.566) 14.001 2.184 ( -1.981 0.768 0.531) 2.190 2.499 ( -7.369 -2.076 -7.680) 10.844 3.557 ( 10.345 5.196 1.216) 11.640 3.814 ( 0.492 -0.793 0.607) 1.113 3.995 ( -2.981 -2.887 9.334) 10.215 4.291 ( -6.855 4.801 -6.945) 10.875 4.645 ( -0.606 -0.512 16.273) 16.292 5.081 ( -5.240 1.217 6.755) 8.635 5.603 ( 2.086 -5.199 -1.157) 5.720 5.833 ( 5.026 3.593 -5.702) 8.407 6.480 ( -2.938 -11.481 -7.261) 13.899 6.693 ( 0.374 11.697 0.866) 11.735 7.302 ( -0.551 -0.699 6.907) 6.964 7.562 ( 1.663 0.895 -3.283) 3.787 7.722 ( 1.502 1.790 -2.931) 3.748 8.332 ( -0.451 -7.564 -0.532) 7.596 9.251 ( -7.771 -7.152 8.690) 13.677 9.661 ( 5.127 -7.729 0.427) 9.284 11.236 ( -0.050 -2.125 1.608) 2.665 11.746 ( 3.598 0.895 -4.420) 5.769 12.053 ( -8.059 -10.454 0.998) 13.238 12.341 ( 0.584 10.223 -3.148) 10.713 13.031 ( -1.697 4.758 19.094) 19.751 13.509 ( 0.305 -5.311 -2.008) 5.686 14.029 ( 1.844 2.082 -2.286) 3.600 15.109 ( 0.087 -2.631 -1.766) 3.170 17.382 ( 7.678 1.756 -4.812) 9.230 17.821 ( -5.269 7.806 8.336) 12.577 18.107 ( -4.846 -10.955 6.190) 13.484 19.339 ( -3.374 -9.064 -2.150) 9.908 20.316 ( 14.440 10.754 1.096) 18.038 21.222 ( -13.080 -0.988 -1.077) 13.161 22.051 ( 3.234 -5.900 -1.621) 6.921 22.663 ( 1.145 5.091 -2.504) 5.788 ======================= Grid point 156 (65/300) ======================= q-point: (-0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.571 15.488 3.896) 16.047 1.816 ( 3.848 15.244 -4.188) 16.270 2.101 ( -5.663 5.185 -1.805) 7.887 2.452 ( -0.453 3.921 -4.386) 5.901 3.347 ( 5.931 20.112 1.073) 20.995 3.851 ( -8.042 -3.782 0.531) 8.902 4.071 ( 5.586 -2.964 7.215) 9.594 4.227 ( -4.831 -0.689 -2.278) 5.386 4.541 ( 2.326 10.456 11.627) 15.809 5.012 ( -6.955 3.177 10.030) 12.613 5.717 ( 5.445 -3.229 1.481) 6.501 5.866 ( -1.648 -4.920 -1.990) 5.557 6.398 ( -6.818 9.952 -2.620) 12.345 6.736 ( 6.996 -8.593 -10.605) 15.338 7.364 ( 1.536 -3.133 11.002) 11.542 7.501 ( 0.232 2.591 -6.802) 7.283 7.784 ( 1.365 -5.494 0.287) 5.669 8.504 ( -1.478 -11.428 0.116) 11.524 9.317 ( -6.472 -4.239 6.190) 9.908 9.770 ( 2.203 -0.927 -9.344) 9.645 11.307 ( -0.257 -5.024 4.843) 6.983 11.726 ( -1.752 0.963 -6.490) 6.791 12.081 ( -5.544 3.421 -5.234) 8.357 12.246 ( -1.614 -2.501 3.412) 4.528 12.985 ( -3.243 2.054 25.055) 25.347 13.627 ( 1.243 -6.861 -3.993) 8.035 13.967 ( 5.475 7.192 -2.428) 9.360 15.180 ( -1.257 -5.855 -0.097) 5.989 17.473 ( 12.931 -2.099 0.686) 13.118 17.658 ( -5.556 6.168 8.620) 11.968 18.273 ( -6.205 -10.178 3.083) 12.313 19.520 ( -3.170 -13.210 -3.854) 14.121 20.227 ( 11.955 10.211 4.734) 16.419 21.136 ( -11.239 -1.964 -8.550) 14.258 22.194 ( 5.647 -5.233 1.672) 7.879 22.541 ( -1.143 7.533 -3.158) 8.248 ======================= Grid point 157 (66/300) ======================= q-point: (-0.09 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.739 18.954 2.491) 19.131 1.535 ( 7.897 18.937 -1.307) 20.559 1.895 ( -7.667 11.051 -1.894) 13.583 2.325 ( 6.987 11.488 3.286) 13.841 3.033 ( 4.088 17.855 7.654) 19.852 3.854 ( -9.687 -5.110 -3.975) 11.651 4.100 ( -5.587 9.828 12.366) 16.754 4.182 ( 3.899 -2.789 3.145) 5.733 4.534 ( 8.302 -2.761 4.092) 9.659 4.893 ( -8.793 5.228 11.629) 15.489 5.786 ( 5.237 0.947 4.187) 6.772 5.923 ( -3.643 -1.607 0.283) 3.991 6.191 ( -7.848 2.806 -7.246) 11.044 6.861 ( 8.618 0.336 -10.656) 13.709 7.477 ( 2.668 -6.388 -4.405) 8.205 7.526 ( 2.568 -5.003 9.625) 11.147 7.902 ( 1.102 -5.824 0.683) 5.966 8.695 ( -4.823 -10.813 -0.303) 11.844 9.335 ( -5.883 -1.567 3.769) 7.161 9.651 ( -4.873 9.717 -23.379) 25.782 11.424 ( -3.566 -6.642 9.627) 12.227 11.656 ( -7.645 0.849 -4.943) 9.143 11.932 ( -4.363 5.857 -4.909) 8.800 12.309 ( 0.123 -2.055 1.841) 2.762 13.082 ( 1.816 -9.135 29.878) 31.296 13.751 ( 2.483 -6.128 -5.604) 8.667 13.845 ( 6.135 10.120 0.453) 11.843 15.300 ( -1.526 -7.776 1.020) 7.989 17.439 ( -1.249 9.173 8.234) 12.390 17.754 ( 11.518 -9.753 5.878) 16.197 18.393 ( -7.029 -7.580 1.948) 10.519 19.682 ( -10.222 -7.242 -5.377) 13.632 20.196 ( 10.235 0.849 6.547) 12.179 21.124 ( 1.529 -4.151 -14.240) 14.912 22.309 ( 4.201 0.325 1.776) 4.572 22.360 ( -3.103 6.954 -2.462) 8.003 ======================= Grid point 161 (67/300) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.645 0.000 15.916) 15.929 1.065 ( 0.075 0.000 13.171) 13.171 2.028 ( 13.524 0.000 7.980) 15.703 2.435 ( 45.545 0.000 2.162) 45.597 2.543 ( -8.688 -0.000 27.333) 28.680 3.446 ( -11.212 -0.000 5.612) 12.538 3.802 ( -14.925 -0.000 3.543) 15.340 3.958 ( -5.222 -0.000 1.682) 5.486 4.216 ( -12.711 -0.000 -3.035) 13.068 5.492 ( 1.838 0.000 -5.128) 5.447 5.676 ( -4.842 -0.000 -14.525) 15.310 6.142 ( -5.805 -0.000 -3.352) 6.703 6.501 ( 1.947 0.000 18.116) 18.221 6.780 ( 14.363 0.000 -6.072) 15.594 7.696 ( 9.690 0.000 6.341) 11.581 7.950 ( 6.494 0.000 -4.269) 7.771 8.023 ( 0.562 0.000 11.798) 11.811 8.348 ( 2.857 0.000 0.206) 2.864 8.623 ( -18.950 -0.000 -11.442) 22.136 8.982 ( -10.770 -0.000 3.015) 11.184 11.007 ( -15.182 -0.000 8.173) 17.242 11.568 ( -1.051 -0.000 -4.137) 4.269 12.017 ( 14.599 0.000 -5.372) 15.556 12.374 ( 3.928 0.000 1.855) 4.344 13.569 ( -7.616 -0.000 11.089) 13.452 13.862 ( 2.051 0.000 -9.193) 9.419 14.942 ( 6.449 0.000 -5.311) 8.354 15.285 ( -5.738 -0.000 4.479) 7.279 17.112 ( -4.254 -0.000 9.074) 10.022 18.066 ( -13.495 -0.000 6.894) 15.154 18.775 ( -7.857 -0.000 -5.421) 9.545 18.888 ( 6.791 0.000 -4.323) 8.050 20.949 ( 13.084 0.000 -1.611) 13.183 21.299 ( -11.552 -0.000 9.175) 14.752 22.233 ( -4.658 -0.000 -0.810) 4.728 22.342 ( 16.766 0.000 -11.586) 20.380 ======================= Grid point 162 (68/300) ======================= q-point: ( 0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 4.510 -3.579 9.543) 11.146 1.281 ( -2.244 -14.073 8.878) 16.790 2.131 ( 13.892 1.163 8.644) 16.403 2.658 ( -3.596 -11.839 22.277) 25.482 2.845 ( 35.637 -6.362 0.465) 36.204 3.430 ( -12.004 -6.335 6.846) 15.202 3.624 ( -12.737 7.091 0.872) 14.604 3.988 ( -5.325 -6.181 4.299) 9.222 4.124 ( -11.248 -0.804 -0.612) 11.294 5.487 ( -2.205 2.530 -9.869) 10.424 5.539 ( -4.822 5.498 -6.621) 9.865 5.920 ( -2.473 12.015 2.241) 12.470 6.550 ( 5.928 1.200 16.497) 17.571 6.979 ( 11.419 -8.398 -7.785) 16.172 7.893 ( 4.021 -3.654 7.234) 9.047 8.008 ( 5.634 -2.968 -4.986) 8.087 8.030 ( -0.048 -2.569 10.054) 10.377 8.261 ( -1.464 9.232 -3.354) 9.931 8.455 ( -15.930 0.782 -9.005) 18.316 8.962 ( -8.285 -4.984 2.572) 10.005 10.964 ( -11.978 -4.688 7.438) 14.858 11.524 ( -0.681 2.773 -3.394) 4.435 12.079 ( 12.996 3.986 -7.454) 15.503 12.434 ( 5.057 -3.023 1.346) 6.044 13.544 ( -11.370 -2.171 8.143) 14.153 13.846 ( 2.932 1.530 -8.093) 8.743 14.713 ( 7.851 24.010 -0.285) 25.263 15.281 ( -6.453 -0.400 3.297) 7.257 17.140 ( -4.431 -4.605 9.240) 11.234 18.057 ( -10.069 -6.036 1.167) 11.797 18.718 ( -6.741 1.789 -12.878) 14.645 18.856 ( 5.277 3.993 6.524) 9.292 20.928 ( 8.165 8.536 2.135) 12.004 21.368 ( -4.884 -9.139 2.554) 10.672 22.034 ( -0.839 12.321 -3.193) 12.756 22.529 ( 8.389 -6.514 -5.739) 12.072 ======================= Grid point 163 (69/300) ======================= q-point: ( 0.45 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 7.718 -12.388 -0.156) 14.597 1.556 ( -2.145 -15.449 5.705) 16.608 2.230 ( 7.227 -0.866 7.784) 10.657 2.968 ( -0.226 -16.727 12.095) 20.643 3.141 ( 27.064 -0.665 -3.202) 27.261 3.365 ( -12.669 8.239 -0.863) 15.137 3.529 ( -7.604 -8.787 11.028) 16.020 4.006 ( -7.545 0.487 -2.991) 8.131 4.209 ( -7.015 -15.518 13.050) 21.455 5.237 ( -7.399 10.885 -6.752) 14.793 5.506 ( -0.389 -0.084 0.742) 0.842 5.762 ( 0.304 5.728 -1.682) 5.978 6.607 ( 6.203 1.625 10.928) 12.670 7.171 ( 8.956 -5.202 -8.416) 13.345 7.893 ( 6.502 8.809 0.138) 10.950 7.923 ( -2.215 8.043 6.192) 10.390 8.019 ( -1.237 6.759 -6.590) 9.520 8.274 ( -6.153 -1.954 7.464) 9.869 8.358 ( -10.062 -12.975 -5.813) 17.418 9.031 ( -4.222 -6.578 2.827) 8.312 11.021 ( -8.079 -7.778 5.614) 12.542 11.462 ( -0.673 2.201 -1.243) 2.616 12.041 ( 8.249 6.465 -7.427) 12.845 12.559 ( 7.660 -4.356 0.721) 8.842 13.495 ( -9.970 0.130 2.016) 10.173 13.809 ( 0.732 2.870 -5.934) 6.632 14.298 ( 5.761 25.068 5.309) 26.263 15.213 ( -4.849 2.746 1.989) 5.917 17.253 ( -4.632 -9.014 9.034) 13.577 18.053 ( -3.666 1.971 -6.915) 8.071 18.515 ( -4.716 10.271 -5.795) 12.701 18.936 ( -1.060 -7.040 8.116) 10.796 20.833 ( 7.138 8.184 2.992) 11.264 21.456 ( 3.783 0.766 -4.438) 5.882 21.832 ( -6.309 4.433 -0.599) 7.734 22.665 ( 5.304 -3.836 -3.243) 7.305 ======================= Grid point 164 (70/300) ======================= q-point: ( 0.55 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 8.965 -13.025 -5.760) 16.829 1.819 ( -2.269 -13.297 3.700) 13.987 2.296 ( 1.821 -1.164 3.814) 4.384 2.984 ( -8.359 12.875 -2.662) 15.580 3.305 ( 15.947 -4.725 -3.572) 17.011 3.406 ( 2.594 -12.371 -0.164) 12.642 3.723 ( -1.940 -13.796 19.481) 23.950 3.926 ( -11.213 -0.633 1.409) 11.319 4.484 ( -4.025 -12.881 11.973) 18.041 5.034 ( -5.651 4.114 -1.382) 7.125 5.537 ( 0.721 -2.687 -0.629) 2.852 5.673 ( 0.674 2.766 -2.845) 4.025 6.605 ( 2.576 4.835 4.910) 7.356 7.248 ( 5.839 1.696 -6.078) 8.597 7.644 ( 0.556 14.331 -8.131) 16.486 7.741 ( -4.987 9.005 1.755) 10.442 8.008 ( 8.224 2.469 1.848) 8.783 8.183 ( -7.152 1.012 -0.576) 7.247 8.621 ( -6.706 -16.701 7.542) 19.514 9.145 ( -0.907 -7.233 4.424) 8.527 11.122 ( -4.031 -6.200 2.396) 7.774 11.460 ( -1.260 -3.564 2.735) 4.666 11.958 ( 5.296 6.132 -6.163) 10.180 12.690 ( 7.024 -3.079 -1.100) 7.747 13.376 ( -2.401 8.689 0.554) 9.032 13.700 ( -1.528 7.254 -5.495) 9.228 13.994 ( -2.503 9.079 9.186) 13.156 15.142 ( -1.144 2.419 -0.351) 2.699 17.427 ( -5.478 -11.684 7.605) 14.979 17.882 ( 0.374 11.781 -12.646) 17.287 18.312 ( -4.659 7.593 5.179) 10.304 19.068 ( -3.434 -6.737 3.718) 8.427 20.753 ( 9.135 8.053 3.677) 12.720 21.381 ( 5.226 8.208 -2.147) 9.964 21.789 ( -7.855 -4.614 -2.997) 9.590 22.740 ( 2.898 -1.658 -2.603) 4.234 ======================= Grid point 165 (71/300) ======================= q-point: ( 0.64 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.830 -8.434 -5.951) 12.955 2.013 ( -2.337 -8.878 1.454) 9.295 2.322 ( 0.994 -0.635 -2.153) 2.455 2.656 ( -8.304 13.805 -3.342) 16.453 3.495 ( 19.303 -2.050 -0.122) 19.412 3.633 ( -4.679 -13.548 -4.002) 14.881 3.826 ( -10.826 -0.824 4.030) 11.581 4.123 ( 1.420 -19.103 20.325) 27.929 4.600 ( -3.156 0.238 8.559) 9.125 4.991 ( -5.132 -2.894 2.838) 6.539 5.520 ( 1.160 2.616 -5.516) 6.214 5.778 ( 3.984 -11.183 -2.596) 12.152 6.462 ( -3.709 10.954 -0.022) 11.565 7.157 ( 3.029 10.381 -1.000) 10.860 7.429 ( 0.993 8.479 -3.419) 9.196 7.578 ( -1.612 3.725 -4.691) 6.204 7.954 ( -0.267 6.755 3.268) 7.508 8.179 ( 1.545 -2.144 -3.384) 4.294 8.874 ( -5.548 -13.373 10.313) 17.776 9.312 ( 2.057 -9.274 6.320) 11.410 11.179 ( -1.432 -2.247 0.377) 2.691 11.596 ( -1.053 -10.428 5.582) 11.874 11.877 ( 3.273 4.783 -4.872) 7.572 12.726 ( 3.644 4.589 -6.999) 9.128 13.187 ( -0.180 8.582 9.389) 12.722 13.549 ( 0.102 6.819 -1.931) 7.088 13.938 ( -6.052 -3.275 4.317) 8.123 15.105 ( 1.051 1.452 -2.508) 3.083 17.616 ( -7.195 -10.472 2.636) 12.976 17.641 ( 3.207 9.678 -9.239) 13.759 18.167 ( -2.949 7.399 10.521) 13.196 19.139 ( -3.454 -3.961 -0.771) 5.312 20.685 ( 11.038 8.830 4.694) 14.894 21.265 ( -4.110 4.893 0.443) 6.405 21.842 ( -0.393 -5.580 -4.201) 6.995 22.760 ( 0.744 0.338 -2.860) 2.974 ======================= Grid point 166 (72/300) ======================= q-point: (-0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 4.278 1.900 -1.637) 4.959 2.115 ( -2.999 -4.163 -0.393) 5.145 2.339 ( 11.208 7.598 -6.949) 15.220 2.367 ( -11.800 2.269 -4.995) 13.013 3.665 ( 12.942 -1.713 2.069) 13.218 3.737 ( -10.329 -2.594 2.680) 10.982 3.867 ( -2.009 -10.621 1.033) 10.858 4.402 ( -3.107 3.884 8.786) 10.096 4.569 ( 2.690 -6.189 12.277) 14.009 5.026 ( -6.278 -3.315 3.847) 8.075 5.522 ( 1.688 -3.294 -3.830) 5.326 5.970 ( 6.953 1.670 -9.602) 11.973 6.262 ( -5.665 -2.773 -0.236) 6.312 6.942 ( 0.158 14.211 1.109) 14.255 7.327 ( 0.346 2.378 3.509) 4.253 7.563 ( 3.183 -1.087 -5.439) 6.395 7.814 ( -2.473 6.972 0.339) 7.405 8.231 ( 1.771 -3.103 -2.957) 4.638 9.065 ( -4.947 -9.329 9.556) 14.241 9.529 ( 2.633 -9.922 6.028) 11.904 11.204 ( -0.408 -1.544 0.684) 1.737 11.808 ( -3.010 0.453 -3.798) 4.867 11.812 ( 4.060 -8.273 3.904) 10.008 12.546 ( -0.214 12.175 -7.131) 14.112 13.122 ( -3.064 2.756 14.689) 15.256 13.465 ( 0.984 1.439 -0.496) 1.813 13.998 ( -1.544 -4.802 0.211) 5.048 15.086 ( 0.258 0.475 -3.537) 3.578 17.492 ( 7.056 5.587 -6.295) 10.983 17.780 ( -8.092 -9.510 0.246) 12.489 18.044 ( -1.762 5.888 13.496) 14.829 19.190 ( -1.661 -4.941 -2.383) 5.732 20.609 ( 9.944 9.639 6.031) 15.106 21.130 ( -11.707 2.567 -3.513) 12.490 21.973 ( 6.595 -6.372 -0.918) 9.216 22.725 ( -1.335 2.514 -3.442) 4.467 ======================= Grid point 167 (73/300) ======================= q-point: (-0.18 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 1.308 10.707 1.617) 10.907 2.109 ( 0.875 5.316 -2.137) 5.795 2.121 ( 0.029 9.165 -2.744) 9.567 2.427 ( 3.174 -3.988 -9.935) 11.166 3.679 ( -0.656 3.071 -2.769) 4.187 3.722 ( -5.640 2.996 8.926) 10.975 4.066 ( 3.032 -8.445 6.086) 10.843 4.202 ( -0.265 8.584 -3.436) 9.250 4.718 ( 0.974 0.782 15.551) 15.601 5.000 ( -7.706 0.749 3.448) 8.475 5.641 ( 3.035 -7.737 -0.693) 8.340 5.839 ( -0.697 4.911 -6.407) 8.103 6.459 ( 2.997 -7.796 -4.740) 9.603 6.683 ( -0.441 8.280 -1.416) 8.411 7.353 ( 2.240 -1.932 8.545) 9.043 7.569 ( 0.531 3.798 -2.312) 4.478 7.720 ( 0.242 -0.886 -3.491) 3.610 8.322 ( -0.168 -6.859 -1.611) 7.048 9.186 ( -4.968 -6.077 7.076) 10.568 9.699 ( -0.958 -5.673 1.138) 5.864 11.243 ( -0.123 -2.735 2.180) 3.500 11.735 ( -2.486 2.886 -5.577) 6.753 12.007 ( 2.316 -7.464 0.534) 7.833 12.317 ( -1.857 9.391 -2.592) 9.918 13.055 ( -6.074 3.757 17.894) 19.267 13.514 ( 1.471 -5.049 -1.891) 5.589 14.058 ( 2.756 -0.567 -0.979) 2.979 15.087 ( -1.457 -2.331 -2.744) 3.884 17.519 ( 10.899 -1.543 -0.403) 11.015 17.772 ( -4.821 5.180 5.358) 8.876 18.055 ( -5.186 -7.189 5.791) 10.589 19.303 ( 0.174 -8.549 -2.490) 8.906 20.491 ( 2.558 10.338 8.382) 13.553 21.014 ( -7.197 -0.544 -9.711) 12.099 22.151 ( 8.766 -5.845 1.885) 10.703 22.630 ( -3.480 4.969 -4.004) 7.269 ======================= Grid point 168 (74/300) ======================= q-point: (-0.09 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.765 15.409 0.328) 15.431 1.913 ( 10.114 14.914 -0.464) 18.026 2.009 ( -3.497 6.312 -2.722) 7.713 2.475 ( 5.670 0.721 -6.112) 8.368 3.453 ( 5.884 20.926 4.788) 22.258 3.666 ( -13.322 -4.653 -1.323) 14.173 4.141 ( -3.093 -1.413 -2.749) 4.372 4.197 ( 0.731 -0.718 11.908) 11.952 4.655 ( 5.616 7.372 10.126) 13.726 4.925 ( -8.532 2.427 8.077) 11.997 5.786 ( -4.457 -1.351 -5.376) 7.112 5.832 ( 6.425 -8.500 1.363) 10.741 6.275 ( -6.830 13.599 -2.232) 15.381 6.847 ( 11.688 -9.732 -7.501) 16.959 7.438 ( 2.016 -0.834 6.156) 6.531 7.485 ( 0.648 -0.372 -0.581) 0.947 7.800 ( 1.098 -5.841 -1.331) 6.091 8.465 ( -3.439 -9.749 -0.465) 10.348 9.245 ( -5.819 -3.499 3.970) 7.866 9.685 ( -7.953 3.513 -8.097) 11.881 11.312 ( -2.202 -4.453 5.662) 7.532 11.644 ( -3.673 2.837 -5.545) 7.231 12.019 ( -1.274 6.599 -5.404) 8.624 12.268 ( 3.648 -3.867 1.111) 5.431 13.025 ( -4.724 -2.164 21.227) 21.854 13.634 ( 1.777 -6.796 -3.688) 7.934 14.037 ( 3.908 5.579 0.394) 6.823 15.150 ( -2.098 -6.390 -0.904) 6.786 17.616 ( -3.530 8.991 9.125) 13.288 17.696 ( 12.431 -7.058 4.699) 15.048 18.178 ( -6.568 -9.493 -0.029) 11.543 19.468 ( -2.078 -8.973 -2.945) 9.670 20.328 ( -2.901 7.248 8.284) 11.383 21.023 ( 3.543 -4.580 -12.591) 13.859 22.311 ( 7.801 -3.885 2.457) 9.055 22.471 ( -5.295 7.674 -3.859) 10.091 ======================= Grid point 173 (75/300) ======================= q-point: ( 0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.726 0.000 12.247) 12.268 1.096 ( -2.644 -0.000 12.023) 12.310 2.283 ( 14.599 0.000 6.087) 15.818 2.536 ( -7.789 -0.000 25.748) 26.900 3.062 ( 34.171 0.000 0.377) 34.173 3.288 ( -12.184 -0.000 6.432) 13.778 3.597 ( -13.479 -0.000 3.441) 13.912 3.884 ( -7.249 -0.000 7.656) 10.543 4.077 ( -0.812 -0.000 -6.830) 6.878 5.476 ( -11.745 -0.000 -13.911) 18.206 5.518 ( 3.300 0.000 -2.517) 4.151 6.007 ( -9.384 -0.000 -3.047) 9.866 6.657 ( 4.854 0.000 26.032) 26.481 6.945 ( 10.287 0.000 -4.971) 11.425 7.870 ( 9.465 0.000 3.511) 10.095 8.026 ( 5.688 0.000 -4.408) 7.196 8.061 ( -1.748 -0.000 9.526) 9.685 8.286 ( -18.014 -0.000 -10.392) 20.796 8.392 ( 3.447 0.000 -3.398) 4.840 8.847 ( -8.015 -0.000 3.206) 8.633 10.852 ( -9.766 -0.000 8.301) 12.817 11.541 ( -0.043 -0.000 -4.145) 4.145 12.227 ( 16.660 0.000 -8.969) 18.921 12.421 ( 1.793 0.000 -0.486) 1.858 13.442 ( -14.572 -0.000 9.474) 17.382 13.864 ( 3.526 0.000 -9.819) 10.433 15.027 ( 6.779 0.000 -2.199) 7.127 15.215 ( -5.902 -0.000 5.146) 7.830 17.083 ( -4.638 -0.000 9.144) 10.253 17.897 ( -10.936 -0.000 1.883) 11.097 18.659 ( -3.276 -0.000 -10.907) 11.388 18.966 ( 5.063 0.000 -1.582) 5.304 21.130 ( 10.660 0.000 -0.501) 10.672 21.180 ( -9.472 -0.000 10.865) 14.414 22.158 ( -4.244 -0.000 -1.125) 4.390 22.499 ( 10.199 0.000 -9.665) 14.051 ======================= Grid point 174 (76/300) ======================= q-point: ( 0.45 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.806 -5.947 9.906) 11.694 1.285 ( -1.808 -12.844 8.216) 15.354 2.321 ( 5.522 3.773 7.669) 10.175 2.698 ( -3.077 -13.808 16.864) 22.012 3.232 ( 2.737 -3.083 4.108) 5.820 3.346 ( 2.540 -2.500 1.969) 4.072 3.482 ( -1.815 1.070 3.942) 4.470 3.938 ( -5.629 -9.632 10.026) 14.999 4.029 ( 2.748 5.476 -4.538) 7.625 5.295 ( -11.388 5.979 -12.090) 17.652 5.535 ( 1.878 0.946 0.528) 2.168 5.867 ( -4.512 5.594 -0.619) 7.214 6.708 ( 4.143 2.929 17.802) 18.511 7.103 ( 8.425 -7.728 -2.751) 11.759 7.991 ( -6.169 -2.066 -0.501) 6.525 8.024 ( 2.140 1.355 4.611) 5.261 8.078 ( 2.922 -3.251 -4.049) 5.958 8.103 ( -5.408 4.492 -3.129) 7.695 8.332 ( -0.407 6.272 -1.710) 6.513 8.880 ( -3.727 -6.755 3.166) 8.339 10.856 ( -6.475 -5.051 8.041) 11.493 11.508 ( 0.612 2.620 -3.210) 4.188 12.223 ( 9.612 7.714 -8.260) 14.837 12.521 ( 6.922 -5.996 -2.360) 9.457 13.364 ( -15.805 -2.383 5.964) 17.060 13.856 ( 3.245 1.670 -9.203) 9.900 14.822 ( 5.921 22.656 2.307) 23.531 15.208 ( -4.899 0.072 3.907) 6.267 17.108 ( -4.762 -4.512 8.440) 10.689 17.925 ( -6.887 -8.536 -1.761) 11.108 18.578 ( -3.592 4.170 -15.886) 16.812 18.955 ( 3.894 3.221 6.261) 8.046 21.012 ( 0.836 7.276 6.035) 9.490 21.357 ( 1.432 -9.743 1.908) 10.031 21.994 ( -1.954 12.125 -2.306) 12.496 22.607 ( 5.221 -5.019 -6.717) 9.878 ======================= Grid point 175 (77/300) ======================= q-point: ( 0.55 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 5.379 -13.438 2.432) 14.678 1.544 ( -2.442 -14.728 4.825) 15.689 2.304 ( -1.425 1.196 5.240) 5.560 2.971 ( -4.436 -15.425 3.414) 16.409 3.174 ( -10.237 9.142 -1.504) 13.807 3.418 ( 7.914 -10.553 9.349) 16.168 3.614 ( 7.586 -3.948 8.720) 12.214 3.904 ( -0.494 7.547 -0.585) 7.586 4.190 ( -2.896 -17.100 10.252) 20.147 5.069 ( -9.124 6.526 -7.487) 13.487 5.533 ( 2.441 0.589 4.166) 4.864 5.762 ( 0.323 4.679 -1.668) 4.977 6.691 ( -0.662 3.492 7.728) 8.506 7.276 ( 9.047 -3.621 -4.022) 10.542 7.793 ( -10.969 7.680 -11.440) 17.612 7.907 ( -4.039 10.086 1.903) 11.030 8.113 ( 11.672 0.433 4.126) 12.387 8.181 ( -5.406 3.917 -1.043) 6.757 8.315 ( 0.199 -13.066 6.785) 14.724 9.011 ( -0.455 -7.808 4.222) 8.888 10.961 ( -2.988 -8.042 6.128) 10.543 11.458 ( 0.738 2.243 -0.682) 2.458 12.116 ( 5.547 7.733 -6.699) 11.638 12.669 ( 6.227 -4.188 -1.655) 7.685 13.329 ( -11.391 -4.452 -0.281) 12.234 13.799 ( 1.597 4.837 -7.530) 9.091 14.387 ( 2.365 27.018 7.134) 28.044 15.166 ( -2.320 1.517 2.105) 3.480 17.208 ( -5.659 -8.592 6.473) 12.155 17.995 ( 0.225 -0.069 -7.167) 7.170 18.391 ( -5.604 6.853 -11.406) 14.438 18.983 ( 0.992 -1.971 9.905) 10.148 20.926 ( 2.762 5.135 5.940) 8.324 21.527 ( 6.195 -4.788 -2.059) 8.095 21.733 ( -4.972 11.282 -1.341) 12.402 22.700 ( 1.472 -3.469 -4.907) 6.187 ======================= Grid point 176 (78/300) ======================= q-point: (-0.36 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.014 -12.868 -3.573) 15.085 1.789 ( -3.300 -13.021 2.324) 13.632 2.277 ( -6.658 -0.688 1.694) 6.905 2.886 ( -0.857 13.918 -4.605) 14.685 3.249 ( -7.493 -18.087 -3.314) 19.856 3.660 ( 10.626 -2.078 3.351) 11.334 3.762 ( -6.075 2.352 2.658) 7.036 3.853 ( 6.017 -13.967 21.885) 26.650 4.480 ( -2.376 -12.496 7.745) 14.893 4.924 ( -7.017 0.931 -1.899) 7.329 5.575 ( 3.851 0.195 -0.515) 3.890 5.694 ( 2.847 0.924 1.481) 3.340 6.589 ( -5.862 6.645 1.054) 8.924 7.330 ( 6.850 4.430 -3.032) 8.703 7.570 ( -2.339 6.223 -14.447) 15.903 7.667 ( -5.631 11.052 0.488) 12.413 8.049 ( -6.409 5.514 5.025) 9.835 8.201 ( 10.659 0.385 -0.176) 10.667 8.611 ( 0.155 -15.267 10.431) 18.491 9.176 ( 1.649 -8.582 6.686) 11.004 11.098 ( -0.411 -6.072 2.294) 6.504 11.469 ( 0.578 -3.535 3.741) 5.180 12.007 ( 4.251 6.634 -4.695) 9.172 12.746 ( 0.596 -1.537 -2.326) 2.851 13.320 ( -2.969 1.462 -2.821) 4.349 13.681 ( 1.382 6.501 -4.391) 7.966 13.985 ( -3.962 15.347 9.534) 18.497 15.135 ( 0.427 1.469 -0.445) 1.593 17.354 ( -6.918 -10.939 3.326) 13.363 17.861 ( 3.715 11.688 -12.808) 17.733 18.261 ( -3.798 3.165 3.431) 6.018 19.052 ( -1.196 -3.335 4.161) 5.465 20.879 ( 3.120 4.638 7.830) 9.620 21.423 ( 0.412 13.926 -1.986) 14.073 21.721 ( 2.241 -7.815 -2.598) 8.535 22.737 ( -1.296 -1.654 -4.483) 4.951 ======================= Grid point 177 (79/300) ======================= q-point: (-0.27 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 5.034 -7.544 -4.209) 9.999 1.967 ( -3.819 -8.719 -0.400) 9.527 2.234 ( -9.615 -1.868 -2.882) 10.210 2.649 ( 8.354 13.241 -4.332) 16.244 3.512 ( -5.871 -15.287 -5.426) 17.251 3.653 ( -12.826 -2.449 4.296) 13.746 3.788 ( 13.905 0.522 5.531) 14.974 4.255 ( 3.445 -16.699 21.807) 27.682 4.606 ( -0.086 -0.864 4.594) 4.675 4.910 ( -6.733 -3.875 3.024) 8.336 5.528 ( 3.156 3.253 -6.150) 7.640 5.862 ( 7.254 -11.364 1.082) 13.525 6.348 ( -9.478 12.131 -3.075) 15.699 7.204 ( 2.717 12.066 -0.164) 12.369 7.407 ( -2.406 7.113 -2.250) 7.839 7.553 ( 2.786 -0.885 -10.039) 10.456 7.900 ( -7.591 6.074 5.211) 11.031 8.248 ( 7.349 1.583 -2.065) 7.796 8.887 ( 1.472 -10.962 10.746) 15.421 9.380 ( 2.221 -9.735 8.511) 13.120 11.171 ( 0.303 -2.185 0.034) 2.207 11.613 ( 0.033 -9.337 5.395) 10.784 11.921 ( 4.687 5.189 -2.863) 7.556 12.699 ( -2.481 5.605 -7.224) 9.474 13.193 ( -4.365 6.896 8.369) 11.690 13.576 ( 3.405 7.536 -0.157) 8.271 13.874 ( -4.003 -4.568 2.141) 6.440 15.107 ( 0.771 1.902 -2.631) 3.337 17.511 ( -7.208 -11.573 -0.495) 13.643 17.665 ( 5.287 9.191 -9.172) 14.019 18.182 ( -1.020 5.748 10.796) 12.273 19.106 ( -0.200 -3.278 -1.049) 3.448 20.809 ( -2.317 6.062 9.111) 11.186 21.177 ( -1.956 10.442 -3.562) 11.205 21.904 ( 8.814 -7.584 -1.183) 11.688 22.722 ( -3.555 0.200 -4.676) 5.878 ======================= Grid point 178 (80/300) ======================= q-point: (-0.18 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -2.339 2.759 -0.160) 3.621 2.052 ( -1.952 -3.588 -3.149) 5.157 2.220 ( -4.784 -3.207 -4.675) 7.418 2.515 ( 15.274 9.547 -7.170) 19.387 3.540 ( -15.292 -2.536 2.710) 15.736 3.780 ( 1.209 -8.197 -1.192) 8.371 3.916 ( 5.490 -5.512 6.302) 10.012 4.429 ( 0.651 8.477 11.344) 14.176 4.660 ( 1.903 -7.519 10.095) 12.730 4.941 ( -5.695 -2.899 3.073) 7.091 5.545 ( 3.671 -3.780 -4.645) 7.024 5.963 ( -3.308 10.025 -9.824) 14.421 6.246 ( 4.373 -13.629 1.602) 14.403 6.930 ( -2.129 16.558 -0.213) 16.695 7.357 ( 1.485 -0.793 3.161) 3.582 7.595 ( 4.237 -1.450 -6.171) 7.625 7.742 ( -7.096 5.060 1.460) 8.836 8.264 ( 3.640 -0.042 -2.426) 4.374 9.073 ( 0.924 -6.027 8.800) 10.706 9.574 ( -0.690 -7.747 7.167) 10.576 11.206 ( 0.289 -1.740 0.582) 1.857 11.730 ( -3.798 -1.445 -1.745) 4.422 11.933 ( 8.397 -3.433 1.442) 9.186 12.492 ( -2.616 11.415 -5.955) 13.138 13.089 ( -9.286 2.524 14.508) 17.410 13.495 ( 2.515 2.327 0.219) 3.433 13.993 ( 0.997 -7.137 -1.193) 7.305 15.067 ( -0.358 1.512 -3.630) 3.949 17.587 ( 4.052 1.467 -3.422) 5.503 17.665 ( -2.427 -9.107 -3.149) 9.937 18.079 ( -1.300 6.908 13.392) 15.125 19.186 ( 2.526 -5.178 -2.151) 6.149 20.640 ( -13.130 7.535 6.697) 16.554 21.027 ( 4.857 5.881 -4.250) 8.731 22.114 ( 10.818 -6.744 0.891) 12.779 22.654 ( -5.482 2.365 -4.977) 7.773 ======================= Grid point 179 (81/300) ======================= q-point: (-0.09 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.354 9.074 -1.475) 9.490 2.057 ( 0.054 1.504 -2.627) 3.028 2.192 ( 3.287 5.786 0.839) 6.707 2.506 ( 13.154 1.584 -11.361) 17.453 3.478 ( -16.201 -3.247 2.069) 16.652 3.823 ( 5.930 8.478 6.090) 12.006 4.051 ( -2.742 -4.810 -4.302) 7.012 4.260 ( 1.842 7.304 10.993) 13.326 4.783 ( -2.983 -1.766 12.699) 13.163 4.916 ( -2.135 2.450 2.563) 4.139 5.675 ( 1.480 -6.543 -2.801) 7.270 5.782 ( -1.205 1.612 -7.388) 7.657 6.487 ( 0.736 6.351 0.349) 6.403 6.699 ( 4.599 -5.634 -3.710) 8.164 7.429 ( 2.706 -3.280 7.812) 8.894 7.545 ( -3.009 5.705 -0.871) 6.508 7.711 ( 1.467 -4.011 -5.185) 6.718 8.312 ( -0.295 -4.354 -1.677) 4.675 9.166 ( -1.458 -2.640 6.257) 6.946 9.642 ( -7.033 -0.809 1.796) 7.304 11.248 ( -0.565 -2.506 2.224) 3.398 11.665 ( -2.401 2.943 -4.786) 6.109 12.086 ( 6.157 -1.941 -1.644) 6.661 12.279 ( -0.777 5.651 -1.672) 5.944 13.011 ( -8.668 1.229 16.779) 18.925 13.533 ( 1.535 -4.153 -1.297) 4.613 14.094 ( 1.857 -1.930 -0.308) 2.696 15.053 ( -0.979 -1.940 -2.955) 3.668 17.633 ( -0.082 -3.670 0.554) 3.713 17.772 ( 5.732 -0.101 2.600) 6.295 18.009 ( -4.489 -1.363 7.649) 8.973 19.320 ( 2.794 -6.848 -1.403) 7.528 20.408 ( -13.777 6.169 3.890) 15.589 21.006 ( 8.098 0.993 -4.816) 9.474 22.300 ( 8.603 -4.545 0.931) 9.774 22.534 ( -5.707 4.510 -4.291) 8.445 ======================= Grid point 185 (82/300) ======================= q-point: ( 0.45 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -3.621 -0.000 12.524) 13.037 1.157 ( 1.371 0.000 12.244) 12.321 2.468 ( 5.355 0.000 1.212) 5.490 2.505 ( -10.755 -0.000 22.695) 25.114 3.170 ( -6.436 -0.000 10.636) 12.432 3.401 ( 10.461 0.000 -2.671) 10.797 3.443 ( -7.411 -0.000 1.445) 7.550 3.820 ( -5.971 -0.000 10.698) 12.252 4.172 ( 14.898 0.000 -2.792) 15.157 5.244 ( -9.427 -0.000 -13.633) 16.575 5.558 ( 2.666 0.000 -0.581) 2.728 5.859 ( -8.291 -0.000 0.266) 8.295 6.850 ( 4.733 0.000 27.774) 28.175 7.049 ( 5.911 0.000 -3.320) 6.780 7.858 ( -12.495 -0.000 -12.733) 17.840 8.047 ( 0.655 0.000 -12.001) 12.019 8.050 ( -4.373 -0.000 6.749) 8.042 8.174 ( 8.446 0.000 9.607) 12.792 8.416 ( 2.194 0.000 -5.623) 6.035 8.788 ( -1.573 -0.000 4.865) 5.113 10.788 ( -3.601 -0.000 9.689) 10.337 11.536 ( 1.684 0.000 -3.512) 3.895 12.423 ( -0.612 -0.000 -2.840) 2.905 12.432 ( 15.842 0.000 -11.909) 19.819 13.225 ( -18.009 -0.000 6.937) 19.299 13.875 ( 3.416 0.000 -10.368) 10.916 15.124 ( 5.894 0.000 1.869) 6.184 15.161 ( -3.900 -0.000 5.363) 6.631 17.055 ( -4.129 -0.000 8.852) 9.768 17.760 ( -6.686 -0.000 -2.355) 7.088 18.572 ( -0.999 -0.000 -14.919) 14.953 19.027 ( 3.345 0.000 0.360) 3.365 21.113 ( -5.581 -0.000 11.521) 12.801 21.247 ( 4.139 0.000 0.026) 4.139 22.108 ( -1.302 -0.000 -0.962) 1.619 22.572 ( 4.927 0.000 -9.106) 10.353 ======================= Grid point 186 (83/300) ======================= q-point: (-0.45 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.485 -8.618 11.727) 14.561 1.304 ( -0.206 -10.408 8.112) 13.197 2.344 ( -6.679 4.912 7.131) 10.936 2.660 ( -10.146 -12.305 8.646) 18.141 3.224 ( -2.126 -1.931 8.554) 9.023 3.336 ( 1.591 0.346 1.914) 2.513 3.529 ( -2.364 -6.108 0.922) 6.614 3.915 ( -3.203 -11.419 10.904) 16.111 4.178 ( 13.575 10.579 1.820) 17.306 5.101 ( -5.690 5.579 -13.467) 15.648 5.578 ( 3.087 0.295 2.011) 3.696 5.802 ( -3.169 1.030 1.598) 3.695 6.808 ( -0.263 8.105 13.970) 16.154 7.229 ( 8.241 -8.955 3.663) 12.709 7.725 ( -15.814 0.211 -13.081) 20.524 7.990 ( -5.392 3.320 2.709) 6.887 8.080 ( -0.941 -5.982 -7.121) 9.348 8.252 ( 12.937 2.485 6.992) 14.914 8.337 ( 1.521 6.504 -0.559) 6.703 8.880 ( 1.377 -7.134 4.596) 8.597 10.842 ( -0.351 -4.888 9.576) 10.757 11.517 ( 2.201 2.711 -2.339) 4.203 12.287 ( 3.274 8.355 -7.004) 11.383 12.618 ( 7.352 -5.966 -6.482) 11.474 13.140 ( -15.001 -4.181 2.593) 15.787 13.859 ( 2.416 2.059 -9.679) 10.186 14.909 ( 3.144 22.777 5.495) 23.641 15.176 ( -1.337 0.580 4.086) 4.338 17.071 ( -4.360 -3.419 7.011) 8.936 17.841 ( -2.378 -11.258 -3.697) 12.086 18.465 ( -1.780 6.963 -18.246) 19.611 19.029 ( 2.370 1.864 6.143) 6.843 21.034 ( -1.244 4.853 7.856) 9.317 21.380 ( -0.528 -9.502 1.441) 9.625 21.981 ( 1.825 12.105 -1.403) 12.322 22.624 ( 1.070 -3.756 -7.695) 8.629 ======================= Grid point 187 (84/300) ======================= q-point: (-0.36 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 3.389 -14.846 5.987) 16.363 1.527 ( -1.925 -12.666 2.990) 13.155 2.223 ( -11.366 2.037 2.809) 11.883 2.847 ( -12.489 -16.174 3.328) 20.704 3.099 ( 1.998 9.079 -6.464) 11.322 3.577 ( -3.644 -6.364 7.325) 10.365 3.590 ( 0.422 -12.252 13.220) 18.029 4.062 ( 12.406 11.592 7.372) 18.511 4.191 ( -2.576 -16.801 8.461) 18.987 4.925 ( -4.394 5.543 -10.002) 12.251 5.611 ( 5.127 0.040 3.004) 5.943 5.768 ( 1.322 2.623 2.749) 4.024 6.663 ( -6.124 7.168 5.529) 10.930 7.408 ( 9.032 -1.768 -1.326) 9.299 7.564 ( -10.454 2.195 -14.361) 17.898 7.827 ( -6.912 9.547 -0.211) 11.788 8.108 ( -3.400 3.760 -1.745) 5.361 8.330 ( 9.398 2.008 8.949) 13.131 8.378 ( 7.646 -11.801 4.229) 14.684 9.051 ( 2.561 -8.224 5.893) 10.437 10.985 ( 2.325 -7.133 7.181) 10.386 11.478 ( 1.979 2.199 0.318) 2.975 12.152 ( 2.800 7.132 -5.520) 9.443 12.701 ( -2.217 -2.046 -1.107) 3.213 13.191 ( -3.643 -8.784 -5.401) 10.937 13.786 ( 0.774 5.208 -7.351) 9.042 14.429 ( -1.522 29.084 8.776) 30.417 15.165 ( 0.963 1.126 2.067) 2.543 17.144 ( -5.271 -7.079 3.472) 9.485 18.000 ( 4.407 -1.751 -6.653) 8.170 18.259 ( -4.691 5.015 -13.088) 14.780 19.039 ( 1.013 0.311 9.012) 9.074 20.966 ( -1.827 3.576 6.846) 7.937 21.557 ( -1.304 -8.706 -0.066) 8.803 21.739 ( 6.651 14.802 -1.225) 16.274 22.665 ( -2.688 -2.905 -6.636) 7.727 ======================= Grid point 188 (85/300) ======================= q-point: (-0.27 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.046 -10.828 -1.654) 11.004 1.747 ( 0.358 -13.234 1.147) 13.289 2.117 ( -13.565 -1.032 0.173) 13.605 2.905 ( 3.855 8.014 -4.096) 9.790 3.130 ( -5.393 -17.114 -4.683) 18.545 3.540 ( -12.581 -0.757 4.878) 13.515 3.919 ( 8.476 -4.211 10.560) 14.181 4.068 ( 9.126 -6.864 18.261) 21.538 4.471 ( -2.789 -12.954 5.443) 14.325 4.820 ( -4.950 -0.034 -3.365) 5.985 5.625 ( 4.001 3.805 -3.808) 6.707 5.790 ( 6.984 -2.885 7.554) 10.685 6.462 ( -10.121 9.214 -0.255) 13.690 7.373 ( -1.380 5.027 -3.561) 6.313 7.517 ( 5.557 0.117 -14.354) 15.392 7.562 ( -7.660 10.914 -2.710) 13.607 7.975 ( -5.348 6.612 4.012) 9.403 8.365 ( 8.769 3.598 4.127) 10.338 8.720 ( 8.803 -14.088 9.100) 18.941 9.245 ( 2.828 -8.943 8.288) 12.516 11.128 ( 2.873 -3.994 2.292) 5.428 11.507 ( 1.998 -3.889 4.506) 6.279 12.048 ( 3.374 5.649 -2.982) 7.224 12.688 ( -6.133 -0.813 -1.482) 6.362 13.285 ( 0.126 0.480 -4.428) 4.456 13.684 ( 0.946 2.580 -3.762) 4.659 13.956 ( -5.050 18.797 8.347) 21.177 15.151 ( 1.935 2.069 -0.232) 2.842 17.261 ( -5.778 -9.587 -0.190) 11.195 17.867 ( 3.697 11.273 -12.476) 17.216 18.244 ( -0.154 -1.277 3.661) 3.880 19.068 ( 1.145 -1.201 3.925) 4.261 20.867 ( -9.611 5.026 5.845) 12.320 21.433 ( 3.616 14.335 1.435) 14.853 21.817 ( 9.798 -8.842 -1.460) 13.279 22.662 ( -5.463 -1.592 -6.352) 8.528 ======================= Grid point 189 (86/300) ======================= q-point: (-0.18 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.611 -5.859 -1.677) 9.750 1.958 ( 4.073 -7.466 -4.134) 9.456 2.087 ( -7.147 -4.883 -1.174) 8.735 2.792 ( 11.532 9.066 -5.660) 15.723 3.361 ( -12.001 -8.968 -1.197) 15.029 3.523 ( -5.061 -10.192 1.302) 11.453 3.976 ( 6.840 1.784 8.316) 10.914 4.400 ( 2.600 -12.306 21.366) 24.793 4.622 ( 0.025 -3.907 0.949) 4.021 4.833 ( -4.705 -4.734 4.522) 8.062 5.563 ( 5.042 3.581 -6.041) 8.645 5.980 ( 5.435 -7.254 -1.278) 9.154 6.190 ( -7.360 8.561 0.577) 11.305 7.207 ( -3.026 14.891 -1.577) 15.277 7.353 ( -1.924 0.467 -3.464) 3.990 7.566 ( 4.345 -2.508 -11.460) 12.510 7.807 ( -6.909 7.483 5.586) 11.615 8.348 ( 5.623 4.564 1.220) 7.344 9.012 ( 9.086 -7.442 8.912) 14.743 9.444 ( 0.854 -8.311 9.216) 12.439 11.187 ( 1.641 -1.123 -0.024) 1.989 11.639 ( 0.803 -5.988 3.365) 6.915 11.995 ( 5.842 2.633 -0.429) 6.422 12.616 ( -3.864 4.655 -5.547) 8.208 13.127 ( -9.703 8.346 11.300) 17.073 13.626 ( 2.685 8.504 -0.222) 8.921 13.841 ( -0.292 -7.841 -1.996) 8.096 15.111 ( 1.242 3.285 -1.964) 4.024 17.398 ( -6.193 -10.168 -3.936) 12.539 17.716 ( 5.425 5.374 -6.226) 9.852 18.227 ( 0.723 5.236 10.417) 11.681 19.131 ( 4.413 -3.344 -0.851) 5.602 20.648 ( -18.457 7.250 1.699) 19.903 21.249 ( 8.232 11.100 4.140) 14.426 22.062 ( 11.644 -8.420 -0.375) 14.374 22.614 ( -7.427 -0.005 -6.307) 9.744 ======================= Grid point 190 (87/300) ======================= q-point: (-0.09 -0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -6.599 -0.196 -2.575) 7.087 2.066 ( 3.521 -1.863 -2.431) 4.666 2.156 ( -2.096 -5.731 -3.245) 6.911 2.721 ( 15.188 8.070 -7.771) 18.872 3.318 ( -14.676 -1.494 3.864) 15.249 3.768 ( -0.398 -13.341 -3.712) 13.853 4.014 ( 2.203 0.255 9.120) 9.386 4.495 ( -0.690 8.223 16.261) 18.235 4.677 ( -2.912 -4.656 -0.033) 5.492 4.927 ( 1.046 -4.022 9.005) 9.918 5.588 ( 4.934 -3.701 -6.054) 8.642 5.834 ( -6.789 8.380 -8.849) 13.951 6.367 ( 8.733 -14.525 3.283) 17.263 6.869 ( -5.288 16.471 -2.602) 17.493 7.391 ( 1.211 -3.582 1.545) 4.085 7.629 ( -6.108 7.118 3.674) 10.074 7.635 ( 2.744 -4.237 -8.419) 9.816 8.307 ( 2.484 2.755 -0.296) 3.722 9.164 ( 5.917 -1.219 7.892) 9.939 9.568 ( -4.017 -3.557 6.732) 8.609 11.216 ( 0.538 -1.301 0.494) 1.492 11.682 ( -1.207 0.895 -2.561) 2.970 12.072 ( 8.874 -4.197 1.261) 9.897 12.426 ( -3.059 10.803 -4.512) 12.101 12.992 ( -11.073 1.119 16.513) 19.914 13.529 ( 1.531 2.963 -0.095) 3.336 14.007 ( 1.795 -7.878 -2.912) 8.589 15.055 ( 0.782 2.526 -2.629) 3.729 17.497 ( -6.151 -7.196 -6.960) 11.750 17.751 ( 7.171 -3.989 1.046) 8.272 18.116 ( -1.348 8.715 12.431) 15.242 19.250 ( 6.711 -4.582 -1.018) 8.190 20.381 ( -18.174 5.079 -1.838) 18.960 21.155 ( 8.686 7.298 4.727) 12.290 22.275 ( 8.740 -5.384 -0.967) 10.310 22.530 ( -6.662 1.189 -5.053) 8.446 ======================= Grid point 197 (88/300) ======================= q-point: (-0.45 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -4.484 -0.000 12.752) 13.518 1.235 ( 1.091 0.000 13.530) 13.574 2.400 ( -14.438 -0.000 18.628) 23.568 2.414 ( -11.551 -0.000 -0.195) 11.552 3.216 ( 5.058 0.000 11.269) 12.352 3.393 ( -10.105 -0.000 -1.147) 10.170 3.401 ( 1.681 0.000 -0.708) 1.824 3.813 ( -0.088 -0.000 10.646) 10.647 4.376 ( 7.865 0.000 5.704) 9.716 5.114 ( 1.774 0.000 -19.906) 19.984 5.590 ( 1.468 0.000 0.728) 1.638 5.804 ( 1.066 0.000 6.607) 6.693 7.030 ( 3.271 0.000 26.844) 27.042 7.099 ( 1.816 0.000 -0.805) 1.987 7.575 ( -14.293 -0.000 -15.096) 20.789 7.982 ( -1.976 -0.000 -13.085) 13.233 7.986 ( -6.955 -0.000 3.432) 7.756 8.402 ( 14.471 0.000 8.726) 16.898 8.410 ( 0.426 0.000 -6.003) 6.018 8.835 ( 3.930 0.000 6.195) 7.337 10.828 ( 2.642 0.000 11.621) 11.918 11.561 ( 3.243 0.000 -2.227) 3.934 12.380 ( -2.778 -0.000 -4.879) 5.614 12.583 ( 9.494 0.000 -11.894) 15.219 12.989 ( -14.164 -0.000 2.916) 14.461 13.874 ( 2.313 0.000 -10.406) 10.660 15.151 ( -0.238 -0.000 5.070) 5.075 15.219 ( 4.377 0.000 6.023) 7.446 17.037 ( -3.046 -0.000 8.619) 9.141 17.678 ( -1.780 -0.000 -5.455) 5.738 18.494 ( -0.140 -0.000 -17.953) 17.954 19.071 ( 1.784 0.000 1.725) 2.482 21.114 ( -0.901 -0.000 11.589) 11.624 21.245 ( -4.194 -0.000 -0.226) 4.200 22.118 ( 2.893 0.000 -0.269) 2.905 22.571 ( 0.361 0.000 -9.630) 9.637 ======================= Grid point 198 (89/300) ======================= q-point: (-0.36 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -2.910 -11.668 11.267) 16.479 1.343 ( -0.655 -7.668 10.058) 12.665 2.197 ( -15.011 5.283 4.375) 16.504 2.496 ( -14.559 -11.783 9.102) 20.824 3.207 ( -6.154 4.288 -2.909) 8.045 3.424 ( -0.776 -9.951 11.564) 15.276 3.460 ( 1.691 -3.959 3.358) 5.460 3.940 ( 1.064 -9.759 8.687) 13.109 4.349 ( 5.435 8.430 9.955) 14.132 5.012 ( 1.998 7.229 -19.592) 20.978 5.632 ( 2.436 -2.097 0.154) 3.218 5.835 ( 6.105 2.019 8.685) 10.807 6.824 ( -4.330 13.138 10.555) 17.400 7.374 ( 3.705 -10.033 9.030) 13.997 7.453 ( -8.313 -1.335 -16.345) 18.386 7.896 ( -7.948 4.258 0.538) 9.033 8.015 ( -2.648 -7.979 -7.629) 11.352 8.336 ( 1.121 4.192 -2.324) 4.923 8.515 ( 15.397 2.163 7.308) 17.180 8.950 ( 4.433 -6.308 5.910) 9.715 10.926 ( 5.337 -4.286 11.426) 13.319 11.552 ( 3.182 3.087 -1.052) 4.556 12.274 ( -0.820 6.038 -6.225) 8.711 12.631 ( -4.923 -2.118 -2.151) 5.775 12.992 ( -1.439 -8.018 -6.275) 10.283 13.846 ( 1.441 2.437 -9.347) 9.767 14.961 ( -0.310 24.357 8.433) 25.777 15.206 ( 2.751 1.524 4.126) 5.188 17.042 ( -2.984 -1.652 5.700) 6.643 17.823 ( 2.346 -14.153 -4.513) 15.039 18.360 ( -1.377 9.086 -19.598) 21.646 19.082 ( 1.297 0.585 5.705) 5.880 21.039 ( -3.254 5.404 6.388) 8.977 21.360 ( -1.529 -11.155 2.680) 11.573 22.034 ( 5.060 11.089 -0.320) 12.193 22.573 ( -3.047 -2.542 -9.117) 9.943 ======================= Grid point 199 (90/300) ======================= q-point: (-0.27 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -3.105 -14.823 3.822) 15.619 1.536 ( 1.253 -12.396 7.083) 14.332 2.006 ( -17.004 2.184 0.294) 17.146 2.677 ( -11.124 -16.754 4.329) 20.571 3.080 ( -5.729 3.109 -5.358) 8.438 3.468 ( -2.798 -0.536 3.566) 4.565 3.758 ( 5.020 -15.556 17.338) 23.829 4.159 ( -1.791 -8.819 2.326) 9.295 4.276 ( 6.866 3.103 15.938) 17.629 4.842 ( -0.647 6.505 -13.422) 14.929 5.679 ( 3.517 -0.447 -1.013) 3.688 5.859 ( 6.345 2.051 8.992) 11.195 6.576 ( -7.775 10.942 5.591) 14.541 7.344 ( -9.628 -1.016 -8.620) 12.963 7.540 ( 7.895 -0.092 -8.404) 11.531 7.703 ( -7.699 9.448 -2.907) 12.530 8.057 ( -2.620 3.512 -0.916) 4.476 8.435 ( 4.015 -9.041 9.702) 13.856 8.619 ( 17.367 -2.473 2.359) 17.700 9.131 ( 4.069 -7.983 7.158) 11.468 11.089 ( 6.666 -4.980 8.289) 11.745 11.516 ( 2.386 1.966 1.283) 3.347 12.157 ( 0.806 5.114 -4.083) 6.593 12.602 ( -9.583 -1.945 2.309) 10.047 13.177 ( 5.234 -10.167 -10.724) 15.677 13.760 ( -0.275 5.556 -6.143) 8.287 14.408 ( -7.069 31.000 9.898) 33.301 15.211 ( 3.738 1.866 1.998) 4.631 17.090 ( -2.942 -5.178 1.523) 6.147 18.059 ( 5.875 4.898 -10.133) 12.696 18.144 ( -2.408 -4.490 -7.985) 9.472 19.094 ( 1.868 0.799 7.143) 7.427 20.903 ( -9.816 6.025 3.890) 12.157 21.581 ( 5.022 -7.641 2.642) 9.518 21.850 ( 6.938 10.077 -0.156) 12.236 22.562 ( -6.490 -2.236 -8.364) 10.820 ======================= Grid point 200 (91/300) ======================= q-point: (-0.18 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -7.288 -9.327 -0.960) 11.875 1.820 ( 4.816 -10.783 0.691) 11.830 1.906 ( -13.310 -6.138 0.700) 14.674 2.912 ( -1.722 -7.190 -0.309) 7.400 3.017 ( -8.987 -9.274 -6.419) 14.422 3.450 ( 0.493 1.687 4.169) 4.524 4.055 ( 3.001 -3.671 12.077) 12.974 4.242 ( 2.205 -9.008 15.206) 17.811 4.460 ( 0.052 -10.655 5.560) 12.019 4.747 ( -2.719 -0.483 -3.169) 4.204 5.682 ( 5.700 3.886 -2.307) 7.274 5.921 ( 4.081 -2.881 4.615) 6.801 6.321 ( -7.029 10.893 2.691) 13.240 7.302 ( -3.651 -1.762 -6.102) 7.326 7.412 ( -9.303 11.523 -4.865) 15.588 7.565 ( 5.913 1.789 -11.203) 12.794 7.923 ( -3.684 7.673 3.586) 9.236 8.498 ( 6.065 5.284 6.391) 10.274 8.949 ( 16.774 -12.111 4.665) 21.209 9.324 ( 2.427 -8.018 8.770) 12.128 11.197 ( 4.649 -0.432 2.456) 5.276 11.564 ( 2.878 -4.222 4.075) 6.536 12.085 ( 2.675 3.407 -0.969) 4.439 12.584 ( -6.298 -2.136 0.727) 6.690 13.264 ( -2.085 6.370 -1.073) 6.788 13.673 ( -0.060 -2.194 -3.881) 4.459 13.901 ( -6.009 17.367 4.603) 18.945 15.190 ( 3.068 3.597 0.294) 4.737 17.188 ( -2.746 -7.636 -2.107) 8.384 17.851 ( 0.415 8.553 -10.169) 13.295 18.293 ( 4.083 -2.398 4.853) 6.780 19.129 ( 5.540 -1.152 2.594) 6.225 20.663 ( -17.399 9.115 0.378) 19.646 21.537 ( 6.197 12.177 6.011) 14.927 21.975 ( 11.195 -10.288 -0.798) 15.225 22.521 ( -8.714 -1.445 -7.896) 11.848 ======================= Grid point 201 (92/300) ======================= q-point: (-0.09 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -8.722 -5.978 -2.035) 10.768 1.956 ( -2.128 -8.901 -7.732) 11.981 2.049 ( 1.561 -6.561 4.317) 8.007 2.884 ( 0.715 2.774 -5.612) 6.300 3.202 ( -5.333 -7.656 -0.273) 9.334 3.505 ( 2.436 -8.939 0.140) 9.266 4.072 ( 1.086 2.175 9.292) 9.605 4.487 ( -2.979 -7.780 18.047) 19.877 4.597 ( -2.981 -5.590 -4.271) 7.640 4.838 ( 1.432 -8.032 11.071) 13.753 5.632 ( 7.294 4.824 -5.208) 10.178 5.903 ( -8.592 6.124 -7.776) 13.107 6.246 ( 7.709 -5.332 8.284) 12.510 7.095 ( -8.709 13.988 -5.744) 17.450 7.326 ( -0.726 -3.302 -2.144) 4.003 7.571 ( 2.348 -1.480 -9.723) 10.111 7.752 ( -3.141 8.419 4.243) 9.938 8.425 ( 3.432 6.911 3.068) 8.304 9.221 ( 13.177 -3.084 6.461) 14.996 9.482 ( -0.494 -5.630 7.599) 9.470 11.217 ( 2.108 0.528 0.376) 2.206 11.665 ( 1.681 -2.485 0.393) 3.026 12.086 ( 5.565 -0.806 1.336) 5.780 12.549 ( -2.273 4.182 -4.468) 6.529 13.008 ( -13.574 8.656 17.778) 23.984 13.647 ( 0.671 8.278 -1.494) 8.438 13.843 ( 2.372 -10.196 -5.472) 11.812 15.131 ( 2.108 4.573 -0.769) 5.094 17.302 ( -3.187 -7.541 -6.080) 10.197 17.758 ( 1.996 0.720 -1.924) 2.864 18.286 ( 0.952 6.468 9.945) 11.902 19.242 ( 10.717 -3.482 -0.543) 11.282 20.348 ( -19.156 7.935 -3.414) 21.014 21.390 ( 5.621 9.987 8.218) 14.102 22.228 ( 9.502 -7.008 -2.006) 11.976 22.458 ( -8.099 -1.363 -6.268) 10.331 ======================= Grid point 209 (93/300) ======================= q-point: (-0.36 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -6.487 -0.000 12.829) 14.376 1.278 ( -4.664 -0.000 14.415) 15.150 2.184 ( -17.303 -0.000 2.029) 17.422 2.261 ( -12.167 -0.000 15.410) 19.634 3.094 ( -29.686 -0.000 6.567) 30.404 3.366 ( 8.092 0.000 7.438) 10.991 3.480 ( 8.856 0.000 -1.665) 9.012 3.902 ( 5.281 0.000 8.313) 9.848 4.476 ( 2.549 0.000 11.697) 11.972 5.061 ( 2.274 0.000 -24.963) 25.067 5.614 ( 1.295 0.000 1.411) 1.915 5.973 ( 15.084 0.000 10.135) 18.172 7.078 ( -6.471 -0.000 1.651) 6.678 7.175 ( 1.139 0.000 23.713) 23.740 7.330 ( -7.441 -0.000 -15.869) 17.527 7.871 ( -9.077 -0.000 -0.125) 9.078 7.891 ( -2.115 -0.000 -12.638) 12.814 8.384 ( -0.558 -0.000 -4.141) 4.178 8.668 ( 16.019 0.000 5.792) 17.034 8.941 ( 5.950 0.000 6.703) 8.962 10.964 ( 7.954 0.000 13.616) 15.769 11.611 ( 3.932 0.000 -0.628) 3.982 12.300 ( -4.381 -0.000 -6.237) 7.621 12.550 ( -10.102 -0.000 -0.048) 10.102 12.903 ( 5.078 0.000 -9.880) 11.108 13.861 ( 2.012 0.000 -9.771) 9.976 15.195 ( 3.064 0.000 4.517) 5.458 15.310 ( 3.154 0.000 10.104) 10.585 17.039 ( -1.729 -0.000 8.934) 9.100 17.661 ( 3.137 0.000 -7.309) 7.954 18.408 ( -0.444 -0.000 -20.353) 20.357 19.096 ( 0.138 0.000 2.728) 2.731 21.132 ( -9.789 -0.000 -0.732) 9.816 21.186 ( 3.766 0.000 11.299) 11.910 22.181 ( 4.784 0.000 0.371) 4.798 22.500 ( -3.857 -0.000 -11.489) 12.119 ======================= Grid point 210 (94/300) ======================= q-point: (-0.27 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -6.014 -13.465 9.568) 17.579 1.338 ( -7.426 -8.636 13.035) 17.310 1.962 ( -16.536 6.601 2.277) 17.950 2.346 ( -9.875 -11.372 10.245) 18.215 2.917 ( -29.926 -4.831 7.518) 31.232 3.499 ( 8.886 -2.217 1.029) 9.216 3.586 ( 6.819 -7.364 7.145) 12.320 4.013 ( 3.600 -5.545 6.275) 9.115 4.468 ( 4.497 5.685 13.483) 15.308 4.946 ( 0.300 7.000 -21.424) 22.541 5.663 ( 2.324 -2.939 0.727) 3.816 6.028 ( 11.306 7.654 9.545) 16.658 6.776 ( -7.322 14.796 7.856) 18.283 7.202 ( -10.901 -2.749 -6.605) 13.039 7.540 ( 8.420 -8.494 -2.118) 12.146 7.761 ( -8.597 3.921 -1.961) 9.651 7.949 ( -1.899 -11.211 -6.248) 12.974 8.349 ( 1.621 -0.069 0.785) 1.802 8.782 ( 16.157 2.134 3.951) 16.770 9.054 ( 5.406 -5.370 6.650) 10.114 11.096 ( 9.815 -3.279 13.271) 16.828 11.598 ( 2.963 3.858 0.101) 4.865 12.218 ( -2.854 3.114 -5.658) 7.060 12.486 ( -12.345 -2.201 4.694) 13.390 13.018 ( 8.341 -8.376 -13.062) 17.617 13.830 ( 1.776 3.007 -8.350) 9.051 14.966 ( -5.085 29.516 11.203) 31.977 15.287 ( 5.295 2.287 4.146) 7.103 17.036 ( -0.833 -0.156 5.353) 5.420 17.873 ( 6.598 -16.602 -4.502) 18.423 18.251 ( -1.809 10.092 -19.393) 21.936 19.119 ( 0.783 -1.271 4.815) 5.041 20.957 ( -9.824 6.848 2.090) 12.156 21.409 ( 5.811 -13.312 5.865) 15.665 22.108 ( 3.965 10.718 -0.428) 11.436 22.455 ( -6.493 -1.685 -10.879) 12.781 ======================= Grid point 211 (95/300) ======================= q-point: (-0.18 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -7.874 -12.233 1.272) 14.604 1.565 ( -6.490 -17.035 11.987) 21.817 1.762 ( -11.202 1.190 -0.894) 11.301 2.557 ( -7.180 -16.903 2.806) 18.578 2.840 ( -22.610 -6.267 5.211) 24.034 3.557 ( 11.352 3.001 -1.325) 11.817 3.872 ( 0.839 -15.458 14.694) 21.344 4.146 ( -1.133 -5.411 2.714) 6.158 4.448 ( 7.071 2.732 13.895) 15.828 4.769 ( -2.177 5.784 -11.355) 12.928 5.741 ( 5.295 -1.758 0.368) 5.592 5.960 ( 0.228 4.671 6.630) 8.113 6.499 ( -5.236 11.958 5.282) 14.082 7.194 ( -5.633 -4.116 -4.883) 8.515 7.500 ( -8.031 7.418 -6.699) 12.822 7.652 ( 3.525 4.506 -8.714) 10.424 8.019 ( -2.017 3.461 -0.427) 4.028 8.568 ( 8.415 -9.527 8.518) 15.301 8.899 ( 19.158 -4.664 -1.458) 19.772 9.227 ( 3.965 -7.117 7.682) 11.198 11.251 ( 9.338 -1.126 9.208) 13.163 11.556 ( 2.021 1.012 1.559) 2.746 12.144 ( -0.658 2.329 -2.291) 3.333 12.477 ( -8.030 -4.004 5.459) 10.503 13.229 ( 7.646 -8.927 -11.758) 16.625 13.727 ( -1.319 7.418 -3.383) 8.259 14.284 ( -15.467 31.827 10.130) 36.808 15.287 ( 4.827 3.309 1.941) 6.165 17.077 ( 0.596 -3.540 1.309) 3.821 17.979 ( -4.736 9.189 -14.238) 17.595 18.224 ( 10.106 -10.621 1.074) 14.700 19.168 ( 5.037 -0.836 4.245) 6.640 20.719 ( -14.675 9.860 0.018) 17.679 21.720 ( 9.972 -6.439 3.912) 12.498 21.921 ( 1.875 5.093 -0.662) 5.468 22.410 ( -7.665 -1.438 -8.877) 11.816 ======================= Grid point 212 (96/300) ======================= q-point: (-0.09 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -11.061 -7.898 0.020) 13.592 1.719 ( -9.461 -11.075 -3.144) 14.901 1.909 ( 3.955 -11.678 5.880) 13.660 2.782 ( -17.854 -8.465 -3.484) 20.064 2.886 ( -1.329 -16.407 1.471) 16.527 3.571 ( 11.943 4.548 0.523) 12.791 4.117 ( -1.147 -2.191 10.834) 11.112 4.247 ( -6.136 -13.751 9.360) 17.730 4.513 ( 1.359 -0.702 -0.856) 1.753 4.738 ( 1.731 -5.380 8.977) 10.608 5.781 ( 7.733 3.543 -0.028) 8.507 5.894 ( -7.040 1.836 -1.653) 7.461 6.314 ( 1.734 5.468 6.120) 8.388 7.188 ( -8.471 3.501 -10.012) 13.574 7.291 ( -3.193 3.290 1.101) 4.715 7.582 ( 2.694 2.823 -11.142) 11.806 7.892 ( -2.325 7.679 3.111) 8.605 8.611 ( 5.271 7.794 5.659) 10.980 9.244 ( 20.084 -9.546 -0.899) 22.256 9.388 ( 1.420 -6.383 7.234) 9.751 11.281 ( 4.547 3.609 3.218) 6.638 11.627 ( 3.850 -3.919 1.839) 5.794 12.116 ( 1.266 0.560 0.760) 1.579 12.522 ( -2.632 -3.536 2.219) 4.935 13.186 ( -11.730 15.797 10.629) 22.364 13.657 ( 1.011 -7.890 -5.342) 9.582 13.822 ( -4.622 11.510 -1.226) 12.464 15.241 ( 3.088 5.100 0.895) 6.029 17.169 ( 1.680 -5.125 -2.197) 5.824 17.793 ( -3.271 4.419 -5.969) 8.115 18.391 ( 4.564 0.341 6.872) 8.256 19.275 ( 13.376 -3.142 0.511) 13.749 20.379 ( -18.306 11.795 -3.503) 22.057 21.617 ( -0.659 10.397 5.385) 11.728 22.142 ( 10.933 -11.058 -0.883) 15.575 22.351 ( -7.966 -0.945 -7.332) 10.868 ======================= Grid point 221 (97/300) ======================= q-point: (-0.27 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -11.076 -0.000 14.712) 18.415 1.190 ( -15.312 -0.000 14.772) 21.276 1.950 ( -14.039 -0.000 3.326) 14.427 2.180 ( -8.269 -0.000 11.059) 13.809 2.608 ( -38.082 -0.000 19.197) 42.647 3.503 ( 5.378 0.000 6.732) 8.616 3.640 ( 13.680 0.000 -4.397) 14.369 4.017 ( 5.204 0.000 6.081) 8.004 4.585 ( 4.556 0.000 13.147) 13.914 4.960 ( -1.454 -0.000 -23.669) 23.714 5.652 ( 3.244 0.000 1.408) 3.536 6.283 ( 18.748 0.000 7.567) 20.218 6.888 ( -15.947 -0.000 -4.900) 16.683 7.237 ( 0.005 0.000 -7.443) 7.443 7.263 ( -1.761 -0.000 17.884) 17.971 7.717 ( -10.072 -0.000 -2.486) 10.375 7.819 ( -0.490 -0.000 -11.362) 11.372 8.370 ( 0.384 0.000 -0.305) 0.490 8.925 ( 15.055 0.000 2.315) 15.232 9.065 ( 6.262 0.000 6.951) 9.356 11.180 ( 11.953 0.000 15.252) 19.378 11.669 ( 3.401 0.000 0.661) 3.465 12.200 ( -4.886 -0.000 -6.344) 8.007 12.374 ( -12.848 -0.000 7.119) 14.688 12.979 ( 10.126 0.000 -13.394) 16.791 13.859 ( 3.276 0.000 -8.798) 9.388 15.272 ( 4.090 0.000 3.982) 5.708 15.408 ( 3.253 0.000 13.919) 14.294 17.064 ( -0.457 -0.000 10.454) 10.464 17.711 ( 7.736 0.000 -7.825) 11.003 18.300 ( -1.809 -0.000 -21.468) 21.545 19.096 ( -1.898 -0.000 3.502) 3.983 20.961 ( -11.672 -0.000 -1.232) 11.737 21.321 ( 7.607 0.000 10.758) 13.176 22.254 ( 4.375 0.000 0.656) 4.424 22.349 ( -8.538 -0.000 -16.077) 18.204 ======================= Grid point 222 (98/300) ======================= q-point: (-0.18 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -12.771 -13.361 8.152) 20.201 1.223 ( -15.479 -13.112 15.200) 25.349 1.749 ( -12.942 6.560 4.670) 15.243 2.246 ( -14.081 -11.759 3.991) 18.774 2.499 ( -25.103 -8.906 22.380) 34.790 3.631 ( 4.964 -6.647 5.833) 10.141 3.738 ( 12.273 -1.331 -1.415) 12.426 4.087 ( 2.778 -2.307 4.359) 5.661 4.603 ( 5.411 4.420 11.621) 13.559 4.833 ( -3.816 5.763 -17.179) 18.518 5.724 ( 5.422 -3.627 1.167) 6.626 6.177 ( 1.455 17.908 7.260) 19.378 6.652 ( -11.706 8.931 -1.310) 14.782 7.088 ( -2.156 -1.747 3.168) 4.212 7.540 ( -6.485 3.324 -6.061) 9.478 7.701 ( 3.450 -2.487 -5.588) 7.022 7.911 ( 0.381 -15.890 -5.558) 16.838 8.417 ( 6.842 -8.016 3.411) 11.077 9.027 ( 14.680 1.541 -0.081) 14.761 9.164 ( 4.935 -4.445 6.947) 9.611 11.332 ( 13.090 -1.987 14.290) 19.481 11.635 ( 1.409 5.099 0.371) 5.303 12.146 ( -3.586 0.527 -4.113) 5.482 12.350 ( -8.365 -4.283 9.411) 13.299 13.102 ( 9.875 -7.502 -12.388) 17.529 13.834 ( 3.175 3.968 -6.988) 8.640 14.881 ( -14.669 41.128 14.605) 46.044 15.391 ( 5.807 3.114 3.788) 7.601 17.065 ( 1.245 0.314 6.515) 6.640 17.957 ( 5.193 -10.489 -9.084) 14.815 18.172 ( 3.369 1.996 -9.814) 10.567 19.153 ( 1.881 -5.124 3.018) 6.237 20.787 ( -11.964 7.910 -0.672) 14.359 21.567 ( 10.652 -14.613 6.278) 19.142 22.087 ( -7.819 11.638 -9.779) 17.094 22.326 ( -2.466 -1.454 -6.253) 6.877 ======================= Grid point 223 (99/300) ======================= q-point: (-0.09 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -12.931 -11.538 1.739) 17.418 1.379 ( -17.517 -14.305 5.144) 23.193 1.740 ( 1.705 -10.064 8.819) 13.489 2.365 ( -21.978 -15.582 -2.483) 27.056 2.619 ( -7.474 -12.569 15.219) 21.106 3.743 ( 12.898 2.222 -1.904) 13.226 3.928 ( -0.108 -11.773 11.371) 16.368 4.141 ( -0.989 -1.777 2.010) 2.859 4.560 ( 0.619 4.439 -3.213) 5.515 4.722 ( 0.708 0.240 9.093) 9.124 5.845 ( 7.708 -2.749 0.453) 8.196 5.911 ( -8.926 7.459 6.182) 13.173 6.431 ( -6.563 6.710 -0.766) 9.417 7.127 ( -3.185 -1.513 -3.336) 4.854 7.363 ( -4.896 6.642 0.649) 8.277 7.651 ( 1.893 4.873 -10.975) 12.156 7.992 ( -1.337 3.497 -0.233) 3.751 8.745 ( 10.202 -4.205 3.968) 11.726 9.186 ( 21.803 -10.132 -10.310) 26.160 9.309 ( 2.370 -5.591 7.496) 9.647 11.433 ( 8.325 5.846 8.472) 13.239 11.597 ( 3.474 -2.392 1.321) 4.419 12.117 ( -2.085 -0.264 -0.680) 2.209 12.427 ( -2.046 -5.445 8.106) 9.977 13.300 ( 6.738 -5.051 -6.984) 10.940 13.667 ( -9.754 14.835 5.980) 18.735 14.032 ( -19.944 23.343 5.853) 31.255 15.364 ( 4.021 4.892 1.776) 6.577 17.122 ( 4.028 -2.907 3.096) 5.853 17.845 ( -5.295 6.719 -10.030) 13.183 18.398 ( 9.579 -6.624 5.911) 13.060 19.309 ( 13.473 -5.280 0.433) 14.477 20.483 ( -14.829 13.505 -3.306) 20.327 21.762 ( -10.899 9.546 -5.613) 15.538 21.972 ( 9.689 -15.481 0.932) 18.287 22.302 ( -1.745 1.033 -4.136) 4.606 ======================= Grid point 233 (100/300) ======================= q-point: (-0.18 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -16.343 -0.000 19.842) 25.706 0.963 ( -22.276 -0.000 14.769) 26.727 1.804 ( -7.188 -0.000 3.350) 7.930 1.851 ( -41.874 -0.000 14.757) 44.399 2.388 ( -3.880 -0.000 28.374) 28.638 3.584 ( 1.800 0.000 6.598) 6.839 3.839 ( 14.651 0.000 -5.517) 15.655 4.104 ( 3.210 0.000 4.187) 5.276 4.706 ( 3.869 0.000 6.502) 7.566 4.817 ( -5.262 -0.000 -15.410) 16.283 5.733 ( 7.055 0.000 0.464) 7.070 6.550 ( 12.405 0.000 -0.778) 12.429 6.595 ( -18.052 -0.000 -9.028) 20.183 7.226 ( 0.764 0.000 -1.213) 1.433 7.258 ( -6.858 -0.000 7.123) 9.888 7.572 ( -7.333 -0.000 2.139) 7.638 7.777 ( 1.030 0.000 -9.932) 9.985 8.405 ( 3.694 0.000 2.724) 4.590 9.123 ( 9.424 0.000 0.864) 9.464 9.193 ( 7.327 0.000 4.981) 8.860 11.444 ( 13.525 0.000 13.292) 18.963 11.710 ( 1.485 0.000 0.332) 1.521 12.111 ( -3.351 -0.000 -4.109) 5.302 12.271 ( -4.794 -0.000 14.522) 15.293 13.084 ( 10.621 0.000 -10.323) 14.811 13.885 ( 4.712 0.000 -7.980) 9.268 15.342 ( 2.767 0.000 3.503) 4.464 15.533 ( 4.848 0.000 13.300) 14.156 17.116 ( 0.315 0.000 13.223) 13.227 17.826 ( 11.510 0.000 -6.789) 13.363 18.187 ( -0.678 -0.000 -13.385) 13.402 19.065 ( -4.513 -0.000 3.978) 6.016 20.783 ( -10.297 -0.000 -1.882) 10.467 21.499 ( 9.357 0.000 9.629) 13.426 22.073 ( -17.517 -0.000 -26.956) 32.148 22.314 ( 3.019 0.000 0.706) 3.100 ======================= Grid point 234 (101/300) ======================= q-point: (-0.09 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -18.074 -13.846 7.785) 24.062 1.006 ( -21.241 -12.518 14.267) 28.486 1.586 ( -17.766 -6.102 19.114) 26.800 1.911 ( -20.500 -12.594 3.576) 24.324 2.466 ( -0.247 -3.538 23.677) 23.941 3.707 ( 1.992 -8.844 7.700) 11.894 3.925 ( 12.879 0.803 -3.911) 13.483 4.129 ( 0.945 0.038 2.522) 2.693 4.624 ( -5.688 5.483 -14.463) 16.480 4.774 ( 0.832 1.361 13.918) 14.009 5.836 ( 8.658 -3.895 -0.153) 9.496 6.122 ( -12.092 24.766 9.195) 29.054 6.418 ( -15.309 2.165 -8.393) 17.593 7.096 ( -2.609 0.663 -0.659) 2.772 7.450 ( -0.764 3.762 4.827) 6.168 7.719 ( 2.747 1.932 -8.887) 9.500 7.907 ( 2.708 -17.800 -8.179) 19.775 8.583 ( 13.894 -17.741 -4.451) 22.970 9.211 ( 9.850 -1.700 -3.926) 10.739 9.262 ( 4.765 -2.312 4.924) 7.232 11.583 ( 9.819 -2.282 6.981) 12.262 11.647 ( 1.635 6.831 1.843) 7.262 12.084 ( -2.592 -0.324 -1.295) 2.916 12.355 ( 3.746 -4.444 13.950) 15.113 13.213 ( 10.525 -6.877 -7.496) 14.637 13.862 ( 3.693 5.554 -5.097) 8.394 14.589 ( -36.892 60.472 23.323) 74.578 15.484 ( 4.260 4.125 2.064) 6.279 17.122 ( 1.461 -0.674 8.295) 8.449 17.912 ( -0.305 5.002 -11.926) 12.937 18.341 ( 15.374 -10.566 9.986) 21.159 19.239 ( 11.296 -14.298 -0.529) 18.229 20.609 ( -10.003 10.141 -3.087) 14.575 21.754 ( -9.922 -2.099 -16.880) 19.692 21.762 ( -3.963 -6.280 -3.443) 8.185 22.325 ( 1.830 1.143 0.085) 2.159 ======================= Grid point 245 (102/300) ======================= q-point: (-0.09 -0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -26.641 -0.000 13.229) 29.744 0.708 ( -15.465 -0.000 26.772) 30.917 1.284 ( -41.871 -0.000 33.207) 53.440 1.748 ( -2.673 -0.000 3.215) 4.181 2.570 ( 11.055 0.000 27.715) 29.839 3.622 ( -0.387 -0.000 6.749) 6.760 4.017 ( 11.116 0.000 -4.490) 11.988 4.147 ( 0.466 0.000 2.041) 2.093 4.583 ( -9.315 -0.000 -14.279) 17.049 4.821 ( -0.857 -0.000 13.909) 13.935 5.866 ( 10.328 0.000 -1.835) 10.490 6.279 ( -17.083 -0.000 -10.557) 20.082 6.571 ( -8.178 -0.000 -11.631) 14.218 7.108 ( -12.104 -0.000 -6.118) 13.562 7.249 ( 1.801 0.000 2.682) 3.231 7.558 ( 0.733 0.000 15.194) 15.212 7.763 ( 2.292 0.000 -8.541) 8.844 8.485 ( 4.691 0.000 -1.762) 5.011 9.223 ( 3.116 0.000 3.020) 4.339 9.305 ( 4.982 0.000 -0.492) 5.006 11.625 ( 3.702 0.000 2.935) 4.724 11.709 ( -0.972 -0.000 -2.363) 2.555 12.078 ( 0.197 0.000 0.730) 0.756 12.416 ( 12.851 0.000 11.817) 17.459 13.215 ( 10.745 0.000 -4.246) 11.554 13.923 ( 4.378 0.000 -7.640) 8.805 15.382 ( 0.639 0.000 3.089) 3.154 15.543 ( -14.332 -0.000 -11.812) 18.572 17.147 ( -4.308 -0.000 8.439) 9.474 17.993 ( 13.126 0.000 -3.874) 13.686 18.445 ( 46.682 0.000 34.608) 58.111 18.992 ( -7.251 -0.000 3.572) 8.083 20.647 ( -5.912 -0.000 -2.704) 6.501 21.458 ( -44.798 -0.000 -39.442) 59.687 21.681 ( 4.971 0.000 6.076) 7.850 22.351 ( 1.378 0.000 0.634) 1.517 ======================= Grid point 246 (103/300) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 3.906 0.000 21.205) 21.562 1.217 ( -6.072 -0.000 21.470) 22.313 1.711 ( -20.878 -0.000 29.057) 35.779 1.853 ( -0.256 -0.000 7.901) 7.905 3.231 ( -6.920 -0.000 26.864) 27.741 3.849 ( -2.159 -0.000 12.268) 12.457 4.063 ( 8.237 0.000 -3.052) 8.784 4.096 ( -3.133 -0.000 -4.481) 5.468 4.714 ( 20.473 0.000 0.703) 20.485 5.062 ( -14.355 -0.000 11.862) 18.622 5.620 ( -11.784 -0.000 -15.079) 19.137 5.986 ( 12.432 0.000 -8.141) 14.860 6.528 ( -3.258 -0.000 17.120) 17.427 6.635 ( -11.586 -0.000 -9.270) 14.838 7.331 ( 3.837 0.000 -6.800) 7.807 7.663 ( 6.291 0.000 0.587) 6.319 8.105 ( 2.187 0.000 21.012) 21.126 8.387 ( 0.360 0.000 -4.446) 4.461 9.071 ( -2.796 -0.000 -13.734) 14.016 9.416 ( -4.043 -0.000 5.479) 6.809 11.571 ( -0.554 -0.000 -4.923) 4.954 11.614 ( -3.712 -0.000 -0.902) 3.820 12.228 ( 3.991 0.000 5.877) 7.104 12.341 ( -14.884 -0.000 1.133) 14.927 13.392 ( 14.718 0.000 2.042) 14.859 13.747 ( 1.416 0.000 -9.566) 9.670 15.007 ( -17.489 -0.000 1.094) 17.524 15.441 ( -0.222 -0.000 1.114) 1.136 17.326 ( -3.907 -0.000 12.035) 12.654 18.203 ( 17.489 0.000 0.871) 17.510 18.923 ( -12.340 -0.000 3.606) 12.856 19.743 ( 0.804 0.000 1.854) 2.021 20.362 ( 18.364 0.000 -13.863) 23.008 20.489 ( 0.421 0.000 -6.186) 6.201 21.927 ( -0.252 -0.000 8.671) 8.675 22.369 ( -0.798 -0.000 0.177) 0.818 ======================= Grid point 247 (104/300) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 7.742 4.405 22.457) 24.159 1.245 ( 1.712 -5.115 18.495) 19.265 1.640 ( -12.729 -3.546 13.176) 18.661 2.046 ( 2.329 -13.196 12.864) 18.576 3.167 ( -5.448 4.113 24.818) 25.740 3.922 ( -2.412 2.140 -0.311) 3.240 4.024 ( -7.153 -8.165 10.315) 14.974 4.193 ( 3.721 -4.596 -1.736) 6.163 4.785 ( 10.175 6.070 -1.867) 11.994 5.020 ( -5.636 -2.143 10.514) 12.120 5.558 ( -9.446 -5.010 -12.833) 16.704 6.087 ( 8.185 -0.745 -5.035) 9.638 6.327 ( 0.662 13.088 14.800) 19.768 6.531 ( -4.510 1.793 -6.444) 8.067 7.549 ( 7.257 -1.796 -11.609) 13.808 7.744 ( 4.469 -11.123 1.574) 12.090 8.151 ( 2.219 4.383 15.870) 16.613 8.428 ( -2.311 -10.181 -1.458) 10.542 8.967 ( -6.193 4.287 -14.286) 16.150 9.412 ( -6.528 -2.344 4.638) 8.344 11.517 ( -0.325 1.582 -1.869) 2.470 11.648 ( -4.294 -4.437 -3.799) 7.249 12.088 ( -13.242 9.333 7.438) 17.826 12.336 ( -2.506 -3.140 3.968) 5.647 13.552 ( 13.118 -4.767 2.634) 14.204 13.714 ( -0.093 1.800 -9.653) 9.819 14.575 ( -8.479 27.975 13.588) 32.235 15.484 ( -0.801 -0.853 -1.272) 1.729 17.373 ( -2.993 -4.896 11.815) 13.135 18.263 ( 17.213 7.466 3.121) 19.020 18.753 ( -14.623 6.747 5.599) 17.050 19.609 ( -26.640 -2.864 -2.955) 26.956 20.384 ( 20.435 7.653 -8.165) 23.298 20.750 ( 23.699 -6.940 -13.623) 28.202 21.996 ( -2.632 -6.103 6.619) 9.380 22.369 ( -0.431 -0.798 -0.233) 0.936 ======================= Grid point 248 (105/300) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.339 -3.364 14.382) 14.774 1.513 ( 14.122 -11.033 11.600) 21.347 1.708 ( -4.886 -7.992 4.681) 10.471 2.310 ( 5.471 -8.198 5.671) 11.371 3.170 ( -1.018 -2.369 17.525) 17.714 3.781 ( -7.216 5.517 -4.239) 10.024 4.219 ( -10.578 -12.492 18.116) 24.415 4.276 ( 2.315 -2.111 0.483) 3.169 4.720 ( 3.265 3.358 1.405) 4.890 5.060 ( -3.240 -2.426 10.575) 11.323 5.574 ( -7.249 -5.459 -10.532) 13.902 6.024 ( -8.432 4.032 0.295) 9.351 6.216 ( 10.352 8.996 7.499) 15.631 6.588 ( 8.927 -7.930 -9.906) 15.514 7.475 ( 8.013 9.507 -4.324) 13.164 7.923 ( 1.630 -1.006 -3.479) 3.972 8.035 ( 2.103 9.603 10.420) 14.326 8.727 ( -5.641 -10.941 3.009) 12.672 8.788 ( -7.287 -4.952 -16.915) 19.072 9.410 ( -8.283 -2.300 4.337) 9.628 11.514 ( 0.262 -1.137 -0.373) 1.225 11.679 ( -7.426 -4.875 -4.504) 9.960 11.820 ( -11.297 10.277 9.342) 17.903 12.374 ( 1.222 -0.622 2.927) 3.232 13.622 ( -1.341 4.572 -7.838) 9.173 13.764 ( 8.881 -6.386 1.196) 11.003 14.090 ( -1.583 22.320 18.528) 29.051 15.424 ( -1.498 5.755 -1.261) 6.079 17.499 ( -2.931 -8.127 11.559) 14.431 18.224 ( 14.235 10.803 5.783) 18.783 18.510 ( -13.364 8.122 1.455) 15.706 19.509 ( -17.575 -4.466 -2.230) 18.270 20.376 ( 10.034 4.291 -2.583) 11.215 20.904 ( 19.298 3.674 -14.307) 24.302 22.109 ( -4.843 -7.491 2.147) 9.175 22.394 ( 2.788 -1.020 -0.419) 2.998 ======================= Grid point 249 (106/300) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.070 -13.102 0.567) 13.114 1.837 ( 3.322 -6.847 1.464) 7.750 1.874 ( 14.017 -12.101 7.351) 19.923 2.415 ( 4.825 1.379 -3.525) 6.132 3.318 ( 2.336 -10.007 7.648) 12.810 3.617 ( -10.088 4.101 -0.817) 10.920 4.227 ( -4.340 3.994 3.426) 6.821 4.406 ( -8.026 -8.410 13.636) 17.919 4.790 ( 6.636 -5.566 7.450) 11.425 5.094 ( -7.980 -2.708 12.556) 15.122 5.579 ( -5.203 -2.047 -9.235) 10.796 5.878 ( -8.631 3.716 -2.813) 9.809 6.192 ( 10.118 2.628 3.231) 10.942 6.813 ( 13.499 -6.747 -8.264) 17.206 7.354 ( 6.256 7.827 -2.486) 10.323 7.805 ( -0.247 8.249 -3.108) 8.819 7.938 ( -0.092 7.372 8.653) 11.368 8.526 ( -6.620 8.902 -8.582) 14.025 9.117 ( -7.241 -20.214 -0.155) 21.472 9.396 ( -7.772 -2.261 4.426) 9.225 11.512 ( -7.156 1.263 0.838) 7.315 11.609 ( -2.754 5.645 8.326) 10.429 11.740 ( -3.455 -7.106 -5.078) 9.393 12.388 ( 4.011 1.830 1.643) 4.705 13.475 ( -4.304 7.380 -0.341) 8.551 13.750 ( -1.466 10.257 6.357) 12.156 13.996 ( 7.044 -4.268 5.157) 9.717 15.265 ( -2.457 8.950 -1.265) 9.367 17.652 ( -3.378 -7.289 8.594) 11.765 18.092 ( 1.202 10.423 5.162) 11.693 18.310 ( -0.648 7.471 2.366) 7.863 19.461 ( -8.356 -0.777 -1.742) 8.570 20.361 ( -0.444 1.657 0.469) 1.779 20.919 ( 16.013 4.118 -9.150) 18.897 22.184 ( -7.754 -5.491 -2.584) 9.846 22.446 ( 6.763 -0.624 0.022) 6.792 ======================= Grid point 250 (107/300) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.202 -13.912 -5.681) 15.028 1.951 ( 3.572 -3.426 -2.782) 5.678 2.208 ( 9.240 -7.755 6.856) 13.876 2.367 ( 10.966 3.902 -9.641) 15.114 3.413 ( -14.979 0.716 -0.614) 15.008 3.653 ( 6.140 -14.087 1.046) 15.402 4.100 ( -2.669 6.695 2.650) 7.679 4.502 ( -7.333 -6.104 14.150) 17.066 4.947 ( 2.242 -0.607 -0.107) 2.325 5.098 ( -6.251 -3.604 19.539) 20.829 5.536 ( -3.068 0.378 -6.764) 7.437 5.765 ( -2.664 3.420 -1.870) 4.721 6.289 ( 4.202 -6.437 -1.232) 7.785 6.896 ( 12.950 8.829 -3.689) 16.102 7.337 ( -0.317 -5.061 -3.027) 5.905 7.681 ( 1.661 5.026 -5.456) 7.602 7.779 ( -2.034 9.860 8.269) 13.028 8.317 ( -3.338 7.096 -6.991) 10.506 9.347 ( -5.013 -6.548 12.079) 14.625 9.438 ( -8.021 -10.521 -0.489) 13.239 11.386 ( -7.008 4.411 4.175) 9.274 11.572 ( 2.956 1.668 -0.545) 3.438 11.882 ( -3.342 -11.421 -1.409) 11.983 12.371 ( 5.576 4.358 1.043) 7.153 13.326 ( -4.959 4.691 5.648) 8.860 13.603 ( -2.094 5.408 2.938) 6.501 14.112 ( 3.139 -2.151 2.219) 4.405 15.084 ( -1.321 7.790 -1.843) 8.113 17.641 ( -6.806 6.181 -4.621) 10.289 18.024 ( -0.160 -2.724 12.729) 13.019 18.208 ( 3.025 6.257 6.353) 9.416 19.399 ( -2.471 2.273 -1.965) 3.890 20.287 ( -6.495 3.308 -1.278) 7.400 21.017 ( 14.598 -3.414 -0.027) 14.992 22.182 ( -9.542 -2.729 -6.342) 11.778 22.507 ( 7.838 0.527 -0.188) 7.858 ======================= Grid point 251 (108/300) ======================= q-point: ( 0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.341 -8.550 -5.469) 10.155 2.000 ( 4.606 0.960 -6.340) 7.895 2.168 ( -0.162 5.527 -5.235) 7.614 2.566 ( 15.115 -5.892 -1.598) 16.301 3.287 ( -12.026 0.028 1.490) 12.118 3.889 ( -2.531 1.190 -3.295) 4.322 4.032 ( 3.749 -6.581 1.177) 7.665 4.619 ( -1.143 -6.491 12.220) 13.884 4.799 ( -5.895 8.225 -0.006) 10.119 5.243 ( -0.593 -6.195 17.416) 18.495 5.512 ( -2.007 -0.642 -3.590) 4.162 5.683 ( 1.568 5.125 0.017) 5.360 6.452 ( -4.087 -10.925 -5.675) 12.972 6.756 ( 10.230 12.713 2.275) 16.475 7.447 ( -4.937 -8.032 -2.990) 9.891 7.557 ( -2.115 7.583 -2.457) 8.247 7.641 ( 2.720 6.399 1.631) 7.142 8.227 ( 1.572 -0.127 -4.806) 5.058 9.423 ( 1.058 -2.588 12.301) 12.614 9.578 ( -9.189 -9.169 4.776) 13.832 11.285 ( -2.663 3.237 2.079) 4.679 11.574 ( 2.695 0.096 -2.550) 3.712 12.083 ( -2.098 -12.083 0.273) 12.267 12.321 ( 4.010 5.064 1.062) 6.546 13.261 ( -2.558 0.921 7.056) 7.562 13.530 ( -3.022 1.002 2.581) 4.099 14.111 ( -0.111 4.117 2.252) 4.694 14.987 ( 1.814 1.831 -2.546) 3.623 17.416 ( -7.064 8.691 -8.063) 13.800 18.072 ( 9.700 8.358 9.099) 15.708 18.218 ( -7.389 -9.182 12.236) 16.989 19.348 ( 1.303 1.842 -1.905) 2.953 20.159 ( -7.391 3.817 -2.676) 8.738 21.240 ( 11.479 -8.240 6.610) 15.600 22.122 ( -10.482 -1.171 -9.363) 14.104 22.533 ( 7.187 2.877 -0.947) 7.800 ======================= Grid point 252 (109/300) ======================= q-point: (-0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -2.054 1.083 -2.006) 3.068 1.919 ( 0.959 7.449 -8.174) 11.101 2.137 ( 3.769 -0.959 -4.168) 5.701 2.677 ( -1.060 -1.008 -4.879) 5.093 3.267 ( 1.993 -0.125 1.318) 2.393 3.717 ( 0.499 10.822 -0.158) 10.835 4.204 ( -2.994 -8.259 1.492) 8.910 4.504 ( -5.234 9.602 -1.578) 11.050 4.905 ( -0.565 -10.253 13.397) 16.880 5.316 ( 0.010 2.713 14.310) 14.565 5.445 ( 1.388 5.549 -5.304) 7.801 5.685 ( 0.251 -5.901 4.049) 7.161 6.543 ( -2.669 -1.324 -7.621) 8.183 6.672 ( 0.430 0.078 3.743) 3.769 7.404 ( -0.085 6.184 -2.440) 6.649 7.476 ( -0.826 3.069 -2.219) 3.876 7.640 ( -0.637 -6.702 0.010) 6.732 8.306 ( 2.777 -6.741 -3.109) 7.925 9.506 ( 5.452 -0.078 8.676) 10.247 9.644 ( -8.013 -3.742 8.611) 12.344 11.241 ( 0.496 0.694 0.927) 1.259 11.594 ( 2.444 -0.633 -3.860) 4.613 12.227 ( 5.238 3.018 1.700) 6.280 12.306 ( -6.174 -8.968 -0.587) 10.904 13.273 ( 0.638 -1.053 8.137) 8.229 13.534 ( -2.948 -3.165 1.956) 4.747 13.989 ( -1.411 8.331 3.880) 9.298 15.027 ( 3.538 -3.903 -2.546) 5.851 17.226 ( -3.078 5.254 -6.713) 9.063 17.981 ( 5.179 8.797 8.510) 13.290 18.382 ( -5.273 -9.886 11.672) 16.179 19.352 ( 6.036 0.243 -2.117) 6.401 20.039 ( -8.317 1.842 -3.186) 9.095 21.478 ( 4.690 -7.611 8.863) 12.589 22.045 ( -8.665 -1.736 -11.266) 14.319 22.503 ( 6.488 5.672 -1.524) 8.752 ======================= Grid point 253 (110/300) ======================= q-point: (-0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -3.922 6.527 1.434) 7.748 1.756 ( -2.401 7.832 -4.678) 9.433 2.162 ( 3.517 2.029 0.105) 4.062 2.598 ( -11.722 2.547 -9.153) 15.089 3.183 ( 4.437 11.841 0.693) 12.664 3.655 ( 9.346 -0.457 3.448) 9.972 4.301 ( -6.093 -0.398 9.265) 11.096 4.325 ( -5.229 0.116 -6.874) 8.638 4.878 ( -8.319 12.999 19.291) 24.705 5.276 ( 1.322 3.383 13.899) 14.365 5.483 ( 6.986 -7.041 -12.283) 15.788 5.855 ( 0.990 -9.025 8.663) 12.549 6.464 ( 2.478 7.812 -0.118) 8.196 6.709 ( -13.085 -8.410 -8.951) 17.946 7.324 ( 2.129 3.051 -6.504) 7.492 7.433 ( 4.644 1.248 3.384) 5.881 7.786 ( -2.019 -8.773 0.761) 9.035 8.486 ( 2.546 -10.962 -2.476) 11.523 9.492 ( 5.835 8.314 0.021) 10.157 9.646 ( -4.835 0.377 10.804) 11.842 11.288 ( 3.589 -3.948 2.085) 5.729 11.611 ( 2.137 -0.304 -4.770) 5.236 12.174 ( 0.829 3.796 0.643) 3.938 12.423 ( -5.798 -6.847 -1.340) 9.071 13.342 ( 4.529 -2.094 7.225) 8.781 13.591 ( -0.597 -3.685 -2.041) 4.255 13.844 ( -5.680 4.503 11.717) 13.778 15.148 ( 3.256 -6.461 -1.863) 7.471 17.168 ( 4.154 0.121 -2.796) 5.009 17.873 ( 0.841 7.300 8.246) 11.045 18.538 ( -3.360 -7.901 10.385) 13.474 19.418 ( 13.633 0.421 -3.318) 14.037 19.961 ( -11.510 -2.688 -3.831) 12.425 21.560 ( -10.748 -1.671 1.734) 11.014 22.059 ( 1.250 -5.412 -6.109) 8.257 22.419 ( 5.961 8.104 -1.485) 10.170 ======================= Grid point 254 (111/300) ======================= q-point: (-0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -6.939 9.603 3.960) 12.492 1.572 ( -7.732 7.711 3.136) 11.361 2.104 ( 0.665 6.337 4.307) 7.691 2.362 ( -12.347 9.295 -7.673) 17.255 3.055 ( 0.766 4.447 10.431) 11.366 3.778 ( 13.128 -0.982 1.252) 13.224 4.172 ( -6.959 3.276 -0.678) 7.722 4.377 ( -1.011 -2.215 3.378) 4.164 4.582 ( -7.275 14.193 17.194) 23.452 5.252 ( 0.281 3.862 19.822) 20.197 5.648 ( 3.840 -8.405 -11.156) 14.486 6.019 ( 1.476 -4.268 8.693) 9.796 6.310 ( -3.711 7.553 -3.442) 9.092 6.740 ( -12.194 -7.727 -11.815) 18.655 7.294 ( 1.307 -1.638 -11.406) 11.597 7.531 ( 8.960 -3.766 10.426) 14.254 7.910 ( -1.967 -5.975 0.142) 6.292 8.716 ( 2.215 -11.738 -2.680) 12.243 9.282 ( 5.689 17.979 -8.738) 20.783 9.600 ( -3.061 3.453 9.224) 10.313 11.427 ( 4.348 -5.600 1.760) 7.305 11.632 ( 3.334 -1.793 -2.932) 4.788 12.109 ( -2.499 2.488 -0.443) 3.555 12.459 ( -5.461 -2.556 -1.729) 6.272 13.400 ( 12.812 5.226 -2.876) 14.133 13.629 ( 3.204 -1.446 -4.124) 5.419 13.876 ( -18.036 -14.269 27.243) 35.652 15.293 ( 2.451 -6.999 -1.173) 7.508 17.265 ( 11.241 -3.529 3.259) 12.224 17.767 ( -2.286 4.828 6.561) 8.461 18.664 ( -1.219 -5.251 10.471) 11.777 19.509 ( 23.039 4.571 -4.379) 23.893 19.961 ( -15.903 -10.191 -6.033) 19.828 21.423 ( -19.443 2.138 -7.123) 20.817 22.179 ( 5.452 -3.005 -1.109) 6.323 22.302 ( 4.722 7.510 -0.179) 8.873 ======================= Grid point 255 (112/300) ======================= q-point: (-0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -13.269 11.791 8.004) 19.472 1.382 ( -11.394 6.722 13.423) 18.846 1.963 ( -8.297 6.022 2.612) 10.579 2.135 ( -4.033 8.208 8.392) 12.413 3.044 ( -3.207 -0.207 21.121) 21.365 3.859 ( 9.145 0.901 -2.018) 9.409 4.117 ( 1.007 0.042 -0.775) 1.271 4.285 ( -4.531 12.618 16.205) 21.032 4.460 ( 3.688 -0.995 1.208) 4.006 5.214 ( -5.318 2.860 17.996) 18.982 5.801 ( 0.976 -6.726 -5.422) 8.694 6.058 ( 1.558 1.384 2.613) 3.342 6.139 ( -8.092 3.482 -2.612) 9.188 6.752 ( -11.444 -5.995 -11.462) 17.271 7.374 ( 3.273 -7.259 -11.053) 13.623 7.706 ( 9.986 -2.712 10.280) 14.586 7.973 ( -1.467 -2.549 0.993) 3.104 8.810 ( 1.087 15.177 -3.169) 15.543 8.997 ( 3.816 0.486 -14.897) 15.386 9.524 ( -2.053 4.349 7.785) 9.151 11.504 ( 0.694 -1.741 -3.304) 3.798 11.726 ( 4.071 -2.693 0.696) 4.930 12.064 ( -2.435 -0.946 1.072) 2.823 12.447 ( -3.986 -0.892 -1.829) 4.475 13.352 ( 15.706 9.072 -4.053) 18.585 13.690 ( 3.434 -2.637 -6.402) 7.728 14.202 ( -22.102 -30.261 30.887) 48.562 15.428 ( 1.879 -5.808 -1.272) 6.235 17.405 ( 6.626 0.887 11.325) 13.151 17.750 ( 5.409 -3.704 2.182) 6.909 18.766 ( -0.319 -4.240 12.245) 12.962 19.566 ( 29.123 9.672 -2.676) 30.804 20.067 ( -15.130 -15.565 -10.905) 24.292 21.172 ( -21.663 6.208 -12.089) 25.573 22.116 ( 4.519 10.108 1.246) 11.142 22.322 ( 2.824 -2.548 0.719) 3.871 ======================= Grid point 256 (113/300) ======================= q-point: (-0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -11.435 4.336 18.278) 21.992 1.237 ( -10.475 2.681 20.855) 23.491 1.808 ( -14.679 2.032 9.099) 17.390 1.979 ( -3.168 9.893 17.401) 20.266 3.125 ( -3.962 -5.941 27.005) 27.933 3.905 ( 4.895 1.027 0.624) 5.041 4.049 ( 0.143 9.751 8.997) 13.268 4.142 ( 1.494 1.126 -2.519) 3.137 4.555 ( 12.276 -2.052 2.256) 12.649 5.146 ( -11.347 1.297 14.167) 18.198 5.773 ( -8.718 3.062 -12.367) 15.438 5.982 ( 5.451 5.148 -7.835) 10.844 6.263 ( -2.359 -16.528 14.357) 22.020 6.728 ( -13.171 -3.713 -10.699) 17.370 7.508 ( 5.128 -2.333 -12.517) 13.727 7.666 ( 5.472 14.397 0.608) 15.413 8.039 ( 2.723 -1.720 16.410) 16.723 8.462 ( -0.030 11.400 -4.891) 12.405 9.071 ( 0.133 -4.156 -12.212) 12.901 9.454 ( -2.186 2.955 6.586) 7.542 11.534 ( -0.679 -2.862 -3.709) 4.734 11.709 ( -1.801 4.168 -2.160) 5.028 12.135 ( 1.516 -4.833 4.942) 7.077 12.423 ( -5.595 -0.262 -1.489) 5.796 13.327 ( 15.607 5.513 -0.561) 16.561 13.736 ( 2.619 -1.554 -8.467) 8.998 14.726 ( -20.031 -34.858 16.588) 43.491 15.497 ( 0.126 0.094 -2.134) 2.140 17.372 ( -3.684 3.900 12.324) 13.441 17.983 ( 17.188 -8.083 1.541) 19.056 18.884 ( -5.025 -7.660 10.762) 14.133 19.618 ( 35.832 9.753 3.220) 37.275 20.224 ( -11.620 -14.709 -14.984) 23.998 20.801 ( -18.273 14.179 -12.384) 26.236 21.976 ( 2.166 7.547 5.716) 9.712 22.366 ( 0.859 -0.617 0.376) 1.123 ======================= Grid point 258 (114/300) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.449 -0.000 17.097) 17.159 1.251 ( 28.911 0.000 15.474) 32.791 1.562 ( -14.636 -0.000 27.766) 31.387 1.911 ( 2.983 0.000 10.660) 11.069 3.213 ( -10.209 -0.000 27.948) 29.754 3.841 ( -6.331 -0.000 12.577) 14.080 4.016 ( -3.980 -0.000 -6.925) 7.988 4.119 ( -0.304 -0.000 -0.226) 0.379 4.796 ( -15.610 -0.000 5.714) 16.623 5.114 ( 20.897 0.000 -4.488) 21.374 5.417 ( -5.867 -0.000 -12.359) 13.681 6.178 ( 16.864 0.000 -8.609) 18.934 6.334 ( -14.501 -0.000 -4.632) 15.223 6.709 ( 5.779 0.000 22.879) 23.598 7.380 ( 7.558 0.000 -10.020) 12.551 7.763 ( 5.683 0.000 2.992) 6.422 8.214 ( 0.436 0.000 20.130) 20.135 8.370 ( -0.566 -0.000 -2.608) 2.669 8.913 ( -9.365 -0.000 -15.482) 18.094 9.341 ( -8.375 -0.000 3.614) 9.121 11.533 ( -6.996 -0.000 -1.310) 7.118 11.549 ( -0.303 -0.000 -3.645) 3.658 12.079 ( -18.924 -0.000 9.325) 21.097 12.305 ( 2.943 0.000 5.014) 5.814 13.608 ( 11.156 0.000 4.836) 12.159 13.707 ( -0.372 -0.000 -11.165) 11.171 14.842 ( -5.812 -0.000 1.654) 6.042 15.438 ( -1.103 -0.000 1.895) 2.193 17.332 ( -2.391 -0.000 11.370) 11.619 18.460 ( 14.252 0.000 3.940) 14.787 18.714 ( -16.256 -0.000 1.553) 16.330 19.319 ( -31.783 -0.000 -3.641) 31.991 20.533 ( 8.778 0.000 -6.121) 10.702 20.962 ( 43.677 0.000 -15.901) 46.481 21.936 ( -2.740 -0.000 9.448) 9.837 22.342 ( -2.701 -0.000 -0.444) 2.737 ======================= Grid point 259 (115/300) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 2.014 10.068 23.153) 25.328 1.528 ( 11.744 -2.665 9.716) 15.473 1.547 ( 7.686 -6.780 13.364) 16.841 2.162 ( 6.775 -14.041 10.248) 18.657 3.178 ( -6.952 0.893 24.736) 25.710 3.845 ( -5.641 6.027 -4.242) 9.282 3.943 ( -10.459 -9.331 13.081) 19.172 4.193 ( -3.691 -6.131 0.265) 7.161 4.691 ( -15.021 -1.174 8.090) 17.101 5.173 ( 13.799 6.253 -7.404) 16.862 5.419 ( -1.413 -4.400 -9.386) 10.462 6.085 ( -6.620 8.317 -0.464) 10.640 6.420 ( 12.842 -6.156 -8.749) 16.714 6.600 ( 6.955 12.171 16.411) 21.583 7.628 ( 9.155 -5.237 -9.553) 14.230 7.820 ( 4.370 -6.679 2.778) 8.451 8.230 ( 0.276 6.590 10.800) 12.655 8.387 ( -4.013 -8.868 5.235) 11.052 8.768 ( -11.368 3.365 -14.140) 18.452 9.303 ( -9.704 -2.455 2.988) 10.446 11.483 ( -6.634 -1.848 0.725) 6.925 11.544 ( -5.497 -0.918 -3.389) 6.523 11.916 ( -9.711 6.099 8.307) 14.160 12.361 ( 1.812 -2.215 3.994) 4.914 13.658 ( -0.423 2.274 -11.150) 11.388 13.731 ( 7.044 -3.989 4.316) 9.174 14.562 ( 0.027 22.988 7.417) 24.155 15.459 ( -2.322 -0.383 0.277) 2.370 17.382 ( -2.601 -4.682 11.377) 12.575 18.471 ( -4.513 7.457 8.031) 11.852 18.560 ( 0.473 5.023 -4.971) 7.082 19.191 ( -24.460 -9.579 -1.715) 26.324 20.551 ( 11.863 5.069 -4.739) 13.744 21.157 ( 27.848 5.904 -15.203) 32.273 21.977 ( -2.856 -3.864 7.026) 8.512 22.356 ( -0.561 -3.528 -1.236) 3.780 ======================= Grid point 260 (116/300) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 4.283 1.630 14.348) 15.062 1.680 ( -1.429 -10.530 5.160) 11.814 1.860 ( 23.488 -6.936 9.446) 26.250 2.426 ( 8.653 -5.519 0.870) 10.300 3.214 ( -2.747 -4.152 14.782) 15.597 3.648 ( -7.857 7.145 -3.122) 11.069 4.101 ( -14.403 -11.546 16.727) 24.911 4.250 ( -5.941 -3.896 1.369) 7.235 4.701 ( -7.376 -7.759 13.294) 17.068 5.106 ( 3.699 5.722 -4.803) 8.336 5.469 ( -0.697 -3.347 -6.744) 7.561 5.895 ( -7.787 5.969 1.661) 9.951 6.435 ( 13.768 10.421 6.234) 18.358 6.712 ( 11.207 -10.155 -7.821) 17.026 7.599 ( 9.717 9.573 -1.405) 13.712 7.922 ( 0.697 3.746 -5.402) 6.610 8.088 ( -0.521 7.605 7.971) 11.029 8.567 ( -10.803 3.411 -14.217) 18.178 8.670 ( -6.805 -19.586 9.488) 22.802 9.292 ( -8.995 -3.373 3.567) 10.248 11.474 ( -13.513 -0.629 0.763) 13.549 11.512 ( -3.302 -4.327 2.763) 6.104 11.778 ( 0.767 6.048 0.940) 6.169 12.422 ( 3.196 -1.543 2.758) 4.495 13.565 ( -0.860 5.029 -8.576) 9.979 13.838 ( -0.457 -1.899 -0.002) 1.953 14.186 ( 5.293 18.605 12.832) 23.213 15.383 ( -3.491 5.898 -0.140) 6.855 17.505 ( -2.804 -7.862 10.911) 13.738 18.226 ( -13.054 9.576 -1.445) 16.254 18.492 ( 7.507 7.071 0.598) 10.330 19.243 ( -15.840 -11.015 1.910) 19.388 20.511 ( 11.445 7.974 -2.127) 14.110 21.140 ( 15.863 8.671 -11.506) 21.429 22.033 ( -6.341 -4.325 2.491) 8.070 22.446 ( 4.665 -4.128 -1.746) 6.469 ======================= Grid point 261 (117/300) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 5.873 -8.404 1.268) 10.331 1.872 ( 2.277 -8.187 2.220) 8.783 2.167 ( 14.276 -6.931 7.797) 17.681 2.507 ( 13.327 2.787 -7.340) 15.468 3.303 ( -7.891 -2.934 0.426) 8.429 3.519 ( -3.115 -2.513 4.129) 5.750 4.148 ( -8.020 -0.035 8.384) 11.602 4.301 ( -11.964 -8.539 10.131) 17.852 4.899 ( 1.019 -10.728 15.317) 18.729 5.024 ( -5.847 1.497 -0.106) 6.037 5.498 ( -0.591 -1.576 -5.047) 5.321 5.762 ( -6.013 2.965 1.823) 6.948 6.384 ( 13.186 6.899 0.266) 14.884 6.954 ( 9.112 -8.080 -7.524) 14.315 7.454 ( 7.382 12.801 -1.009) 14.811 7.779 ( 0.157 6.369 -7.884) 10.136 7.954 ( -2.757 8.884 9.075) 12.995 8.382 ( -7.034 5.458 -8.338) 12.198 9.011 ( -8.709 -19.849 7.762) 23.023 9.311 ( -5.907 -3.930 5.559) 9.013 11.376 ( -10.151 1.146 2.426) 10.499 11.604 ( -3.431 -5.853 7.038) 9.776 11.711 ( 2.984 1.178 -6.284) 7.056 12.472 ( 5.956 0.747 0.979) 6.082 13.427 ( -1.362 7.385 -1.836) 7.731 13.720 ( -4.265 8.647 -0.680) 9.666 14.108 ( 3.895 0.267 8.684) 9.522 15.218 ( -3.021 8.269 -0.515) 8.819 17.636 ( -2.324 -4.013 4.228) 6.275 17.972 ( -12.238 4.805 0.775) 13.171 18.411 ( 4.905 7.376 4.376) 9.880 19.311 ( -9.922 -5.880 0.756) 11.558 20.426 ( 9.441 9.488 -0.208) 13.387 21.107 ( 11.816 2.905 -4.880) 13.110 22.041 ( -9.457 -3.047 -2.476) 10.239 22.548 ( 6.702 -2.199 -1.683) 7.251 ======================= Grid point 262 (118/300) ======================= q-point: ( 0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 6.114 -10.658 -5.107) 13.306 2.007 ( 4.697 -3.378 -1.495) 5.976 2.246 ( -1.177 3.621 -1.890) 4.251 2.622 ( 20.271 -1.171 -3.621) 20.625 3.199 ( -11.711 0.406 0.516) 11.729 3.702 ( 0.138 -12.578 -1.278) 12.643 4.078 ( -2.782 3.627 4.257) 6.247 4.428 ( -7.930 -11.334 14.618) 20.125 4.910 ( -5.840 5.847 -4.108) 9.229 5.133 ( -1.555 -8.881 19.620) 21.593 5.492 ( -0.730 0.236 -1.909) 2.058 5.720 ( -1.945 -1.094 -0.031) 2.232 6.373 ( 7.111 2.885 -3.309) 8.357 7.032 ( 6.307 6.616 -3.011) 9.624 7.320 ( 0.242 1.037 -3.081) 3.260 7.670 ( 0.361 6.132 -6.887) 9.229 7.790 ( -0.090 7.811 5.908) 9.794 8.243 ( -2.808 3.103 -5.244) 6.709 9.283 ( -9.748 -15.245 9.236) 20.316 9.379 ( -1.331 -4.939 8.500) 9.920 11.299 ( -5.965 1.110 2.090) 6.417 11.628 ( 4.366 2.573 -0.253) 5.074 11.820 ( -4.369 -11.992 0.503) 12.773 12.472 ( 7.130 4.999 -0.919) 8.756 13.305 ( -0.851 4.200 5.298) 6.815 13.559 ( -4.040 4.832 -1.499) 6.475 14.145 ( -0.836 -0.145 5.275) 5.343 15.065 ( -0.289 5.947 -1.444) 6.126 17.523 ( -4.507 9.536 -8.960) 13.840 17.983 ( -9.310 -10.229 11.594) 18.048 18.314 ( 3.558 8.064 7.735) 11.726 19.312 ( -7.060 -1.970 -2.112) 7.628 20.310 ( 9.210 10.552 0.457) 14.014 21.210 ( 9.913 -4.769 3.017) 11.407 21.992 ( -11.287 -1.504 -6.977) 13.355 22.612 ( 6.254 0.255 -1.980) 6.565 ======================= Grid point 263 (119/300) ======================= q-point: (-0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 5.503 -5.685 -5.087) 9.407 2.039 ( 4.160 4.466 -6.867) 9.187 2.147 ( 0.277 2.194 -4.394) 4.919 2.667 ( -3.180 3.037 -3.754) 5.782 3.243 ( 7.503 -5.924 3.714) 10.256 3.843 ( -1.988 -0.785 -1.773) 2.777 4.042 ( -2.500 -3.763 0.074) 4.518 4.622 ( -4.873 2.089 2.223) 5.749 4.727 ( -2.996 -4.460 8.023) 9.656 5.294 ( -2.640 -5.838 16.564) 17.760 5.496 ( -0.350 -0.752 0.173) 0.848 5.715 ( 3.279 3.151 0.170) 4.550 6.361 ( -4.062 -2.294 -7.698) 9.001 6.895 ( 5.822 10.698 3.255) 12.607 7.373 ( -2.891 -6.439 -1.872) 7.302 7.517 ( -1.385 7.017 -2.264) 7.502 7.687 ( 3.515 6.251 -2.085) 7.469 8.223 ( -0.003 -2.770 -3.421) 4.402 9.456 ( -9.199 -9.612 6.099) 14.636 9.510 ( 2.475 -5.718 13.286) 14.674 11.253 ( -2.295 0.743 1.037) 2.626 11.621 ( 4.472 1.452 -2.316) 5.242 12.024 ( -5.568 -13.148 2.132) 14.437 12.394 ( 4.907 7.641 -1.436) 9.194 13.290 ( 1.741 -0.003 8.484) 8.661 13.479 ( -3.927 0.129 -0.384) 3.948 14.106 ( -2.268 4.175 3.855) 6.119 15.009 ( 2.059 0.365 -2.450) 3.221 17.307 ( -2.139 7.643 -8.076) 11.323 18.124 ( -9.889 -6.677 7.008) 13.838 18.222 ( 3.107 3.842 13.163) 14.060 19.300 ( -5.345 -3.257 -3.403) 7.124 20.188 ( 10.951 10.938 0.560) 15.488 21.396 ( 3.661 -6.600 7.873) 10.906 21.916 ( -9.277 -1.900 -10.269) 13.969 22.622 ( 5.069 2.804 -2.557) 6.332 ======================= Grid point 264 (120/300) ======================= q-point: (-0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.238 4.335 -1.274) 5.559 1.899 ( 1.559 9.205 -7.506) 11.979 2.173 ( 3.058 -2.388 -3.900) 5.502 2.531 ( -12.615 2.600 -5.785) 14.120 3.401 ( 11.886 2.587 0.862) 12.195 3.764 ( 5.882 5.135 1.566) 7.964 4.150 ( -3.797 -8.673 -0.471) 9.479 4.360 ( -12.174 9.110 -1.087) 15.244 4.961 ( -0.476 -6.172 15.510) 16.699 5.330 ( -4.843 2.551 8.082) 9.761 5.478 ( 4.374 1.613 -1.854) 5.017 5.745 ( 3.788 -4.969 6.701) 9.162 6.393 ( -7.032 -7.937 -11.811) 15.873 6.729 ( 0.729 11.942 4.026) 12.624 7.405 ( 1.178 3.003 1.629) 3.614 7.465 ( 1.142 -0.767 -2.515) 2.866 7.648 ( 1.323 -2.954 -1.858) 3.732 8.314 ( 0.120 -7.744 -3.074) 8.333 9.533 ( -7.487 -4.314 5.154) 10.062 9.638 ( 3.547 -1.688 10.132) 10.867 11.255 ( 0.740 -1.874 1.264) 2.379 11.627 ( 3.573 0.776 -3.265) 4.902 12.189 ( -8.648 -7.944 -0.299) 11.746 12.292 ( 2.747 4.142 0.258) 4.977 13.346 ( 3.060 -1.646 10.952) 11.490 13.493 ( -2.951 -4.085 0.783) 5.100 13.986 ( -0.755 7.848 2.868) 8.390 15.060 ( 1.898 -4.414 -2.649) 5.486 17.209 ( 4.386 1.944 -4.213) 6.385 18.038 ( -3.026 7.473 8.963) 12.056 18.338 ( -6.321 -9.807 10.202) 15.499 19.352 ( -3.332 -7.109 -4.126) 8.869 20.081 ( 13.547 10.894 0.572) 17.393 21.450 ( -13.226 -0.907 2.314) 13.458 21.946 ( 2.698 -6.647 -5.435) 9.000 22.575 ( 3.762 5.252 -3.059) 7.148 ======================= Grid point 265 (121/300) ======================= q-point: (-0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.204 9.908 1.954) 10.101 1.713 ( -0.006 10.276 -2.927) 10.684 2.187 ( -2.821 3.191 1.510) 4.519 2.380 ( -8.068 2.268 -11.293) 14.062 3.270 ( 6.014 13.832 2.052) 15.222 3.851 ( 12.558 -2.345 3.921) 13.363 4.149 ( -11.810 2.900 -2.766) 12.471 4.284 ( -1.273 -7.150 3.786) 8.190 4.846 ( -6.460 14.931 18.801) 24.863 5.321 ( -3.479 -0.615 12.365) 12.860 5.539 ( 6.917 -4.488 -9.363) 12.477 5.924 ( 0.920 -8.366 8.639) 12.061 6.469 ( 1.898 2.484 -9.097) 9.619 6.496 ( -10.044 1.514 -4.130) 10.965 7.325 ( 2.244 5.633 -7.027) 9.281 7.530 ( 4.076 -4.327 8.500) 10.373 7.769 ( -0.315 -7.756 -0.661) 7.790 8.492 ( 0.110 -11.916 -3.509) 12.422 9.511 ( -2.901 4.014 -0.475) 4.976 9.643 ( -0.665 3.789 6.116) 7.225 11.352 ( 3.258 -6.263 3.393) 7.833 11.629 ( 2.403 0.372 -4.192) 4.847 12.130 ( -6.675 3.151 -1.371) 7.508 12.336 ( -4.163 -4.848 0.224) 6.394 13.452 ( 3.486 -4.409 12.878) 14.052 13.564 ( -3.043 -5.357 0.813) 6.214 13.840 ( 1.087 8.334 4.449) 9.509 15.172 ( 0.879 -6.892 -2.116) 7.263 17.290 ( 12.312 -3.839 0.993) 12.935 17.888 ( -3.862 7.896 9.837) 13.192 18.486 ( -8.554 -10.133 7.949) 15.460 19.491 ( -1.596 -11.043 -6.407) 12.866 19.999 ( 17.037 10.749 1.147) 20.177 21.293 ( -20.890 1.802 -5.292) 21.625 22.116 ( 6.443 -6.929 -0.088) 9.462 22.475 ( 2.253 7.287 -3.094) 8.231 ======================= Grid point 266 (122/300) ======================= q-point: (-0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -6.500 14.990 1.991) 16.459 1.520 ( -0.601 10.566 6.772) 12.564 2.009 ( -11.164 7.547 -0.692) 13.493 2.292 ( 3.410 5.225 -1.051) 6.327 3.126 ( 2.599 6.387 10.790) 12.805 3.917 ( -1.447 1.452 0.982) 2.274 4.105 ( 4.246 -2.579 -2.039) 5.370 4.403 ( 1.103 -3.305 6.635) 7.494 4.567 ( -3.267 12.917 15.597) 20.513 5.275 ( -7.596 4.191 16.057) 18.250 5.679 ( 5.322 -6.573 -7.907) 11.578 6.041 ( -3.795 -3.076 6.044) 7.771 6.233 ( -5.699 8.993 -2.052) 10.843 6.573 ( 0.151 -4.668 -13.170) 13.973 7.275 ( 2.286 -1.943 -9.112) 9.593 7.700 ( 6.243 -6.977 12.144) 15.334 7.886 ( -0.715 -5.229 -1.351) 5.448 8.709 ( -1.087 -11.984 -4.605) 12.884 9.288 ( 1.077 18.026 -11.694) 21.514 9.570 ( -5.586 2.437 7.135) 9.383 11.488 ( 3.146 -2.575 1.015) 4.191 11.667 ( 1.777 -4.949 -1.306) 5.418 12.020 ( -9.196 1.550 0.038) 9.326 12.371 ( -4.280 -2.815 -0.538) 5.151 13.579 ( 9.867 0.501 -2.680) 10.237 13.646 ( -0.357 -4.084 0.676) 4.155 13.773 ( -7.781 -5.273 23.813) 25.601 15.310 ( 0.626 -7.615 -1.617) 7.810 17.497 ( 14.571 -3.076 7.852) 16.835 17.761 ( -1.419 2.776 7.540) 8.159 18.610 ( -10.244 -9.220 7.260) 15.578 19.687 ( -4.878 -13.554 -9.820) 17.434 19.959 ( 24.141 10.009 1.810) 26.197 21.077 ( -19.703 2.776 -9.484) 22.042 22.259 ( 5.132 -1.890 0.554) 5.497 22.339 ( 0.388 6.344 -1.787) 6.602 ======================= Grid point 267 (123/300) ======================= q-point: (-0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -8.405 11.304 11.131) 17.953 1.349 ( -0.111 9.868 14.432) 17.483 1.803 ( -10.274 6.196 3.656) 12.542 2.204 ( 4.326 8.993 8.626) 13.191 3.103 ( -1.009 0.594 19.415) 19.451 3.886 ( -3.448 -1.976 -3.075) 5.025 4.191 ( 7.755 -0.129 -1.351) 7.873 4.271 ( -7.063 12.696 18.089) 23.201 4.584 ( 10.741 -4.501 1.280) 11.716 5.144 ( -11.607 4.859 13.613) 18.538 5.734 ( -6.024 1.688 -10.072) 11.857 6.072 ( -0.931 -5.076 12.769) 13.773 6.108 ( 1.913 2.329 -4.039) 5.039 6.579 ( -2.615 -0.659 -12.642) 12.927 7.398 ( 5.528 -8.706 -7.891) 12.985 7.872 ( 6.301 1.379 5.263) 8.324 7.970 ( 0.224 -7.926 4.663) 9.199 8.787 ( -2.406 15.076 -2.163) 15.419 8.939 ( -2.162 0.773 -17.522) 17.672 9.495 ( -5.664 2.726 6.010) 8.696 11.507 ( 1.104 0.268 -2.022) 2.319 11.744 ( -0.751 0.764 -2.888) 3.080 11.987 ( -10.813 -7.394 5.739) 14.301 12.377 ( -3.214 -0.662 0.573) 3.331 13.566 ( 13.288 7.329 -1.551) 15.254 13.689 ( 0.570 -2.531 -7.041) 7.504 14.077 ( -10.986 -25.566 28.613) 39.912 15.439 ( 0.391 -5.684 -1.749) 5.960 17.488 ( -1.664 7.446 12.194) 14.384 17.946 ( 16.706 -10.220 4.821) 20.168 18.700 ( -12.158 -8.082 7.429) 16.380 19.768 ( -13.714 -3.276 -4.106) 14.686 20.087 ( 30.174 -2.344 -6.558) 30.967 20.864 ( -8.504 5.551 -12.373) 16.007 22.148 ( -0.854 9.077 1.278) 9.207 22.360 ( 2.071 -1.351 0.226) 2.483 ======================= Grid point 270 (124/300) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.533 -0.000 13.210) 13.221 1.467 ( -9.705 -0.000 23.262) 25.206 1.854 ( 38.699 0.000 8.694) 39.663 2.042 ( 7.556 0.000 12.220) 14.367 3.182 ( -10.112 -0.000 29.807) 31.475 3.761 ( -10.801 -0.000 11.072) 15.468 3.922 ( -3.571 -0.000 -8.914) 9.603 4.053 ( -8.851 -0.000 3.337) 9.459 4.565 ( -17.525 -0.000 9.834) 20.095 5.336 ( 11.484 0.000 -14.251) 18.302 5.345 ( 1.981 0.000 -8.545) 8.771 6.132 ( -9.430 -0.000 -2.857) 9.854 6.409 ( 17.945 0.000 -8.370) 19.801 6.916 ( 6.002 0.000 28.905) 29.522 7.474 ( 10.947 0.000 -12.074) 16.298 7.858 ( 5.038 0.000 3.370) 6.061 8.291 ( -1.487 -0.000 18.888) 18.946 8.349 ( -1.005 -0.000 -1.658) 1.939 8.664 ( -14.253 -0.000 -15.170) 20.815 9.203 ( -11.038 -0.000 2.194) 11.254 11.373 ( -13.794 -0.000 2.453) 14.011 11.521 ( -1.466 -0.000 -3.342) 3.649 11.931 ( -4.776 -0.000 6.826) 8.331 12.359 ( 2.064 0.000 2.444) 3.200 13.652 ( 0.305 0.000 -12.425) 12.428 13.745 ( 2.973 0.000 5.425) 6.186 14.820 ( 1.962 0.000 0.250) 1.978 15.421 ( -2.665 -0.000 3.040) 4.043 17.343 ( -2.740 -0.000 11.228) 11.557 18.434 ( -19.920 -0.000 5.218) 20.592 18.682 ( 12.203 0.000 -1.682) 12.319 18.888 ( -22.196 -0.000 -6.403) 23.101 20.691 ( 14.423 0.000 -4.135) 15.004 21.376 ( 17.540 0.000 -10.472) 20.428 21.974 ( 5.614 0.000 4.257) 7.045 22.285 ( -4.313 -0.000 -1.210) 4.480 ======================= Grid point 271 (125/300) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.173 6.353 20.391) 21.358 1.494 ( -4.229 -7.515 10.230) 13.380 2.026 ( 25.715 1.902 10.254) 27.749 2.370 ( 19.093 -10.817 3.362) 22.200 3.174 ( -7.424 -0.745 23.688) 24.836 3.731 ( -6.881 6.719 -2.607) 9.965 3.820 ( -12.683 -8.040 12.468) 19.518 4.093 ( -8.973 -6.953 0.812) 11.381 4.508 ( -14.603 -5.516 13.972) 20.950 5.249 ( 3.892 7.098 -14.913) 16.968 5.424 ( 3.864 -2.676 -6.423) 7.959 5.983 ( -5.448 7.481 2.023) 9.473 6.607 ( 15.475 -7.550 -9.469) 19.650 6.804 ( 9.029 15.344 18.589) 25.740 7.736 ( 9.445 -7.502 -7.409) 14.156 7.903 ( 4.838 -3.253 3.396) 6.747 8.235 ( -3.033 8.464 -1.665) 9.143 8.349 ( -6.624 -4.856 11.582) 14.199 8.531 ( -11.683 -0.390 -6.982) 13.616 9.157 ( -10.460 -3.506 2.202) 11.250 11.303 ( -14.615 -3.230 4.459) 15.618 11.492 ( -1.940 0.726 -2.239) 3.050 11.887 ( 1.922 4.229 1.506) 4.883 12.405 ( 2.122 -2.639 1.615) 3.752 13.609 ( 0.627 2.362 -11.602) 11.856 13.782 ( -2.817 -2.269 2.571) 4.438 14.635 ( 5.920 19.624 5.180) 21.142 15.415 ( -4.072 0.596 1.929) 4.545 17.387 ( -3.412 -4.581 11.493) 12.834 18.250 ( -16.200 4.770 -0.873) 16.910 18.630 ( -1.757 5.223 -7.784) 9.537 18.921 ( -7.325 -11.598 3.186) 14.083 20.744 ( 15.053 5.695 -1.948) 16.211 21.378 ( 8.588 7.049 -7.856) 13.607 21.984 ( 0.349 2.484 2.848) 3.795 22.355 ( 2.131 -7.912 -3.206) 8.799 ======================= Grid point 272 (126/300) ======================= q-point: ( 0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 4.735 1.373 11.848) 12.833 1.694 ( -0.468 -12.177 6.862) 13.985 2.216 ( 14.013 -1.957 8.767) 16.645 2.638 ( 23.281 -1.775 -4.972) 23.872 3.201 ( -6.101 -3.091 8.392) 10.826 3.522 ( -8.232 6.622 1.266) 10.640 3.964 ( -12.333 -11.649 19.161) 25.592 4.128 ( -9.997 -4.395 0.582) 10.936 4.638 ( -10.297 -14.473 19.416) 26.315 5.093 ( 0.745 7.248 -13.779) 15.587 5.475 ( 2.528 -1.221 -2.513) 3.768 5.824 ( -3.555 6.592 5.929) 9.552 6.663 ( 11.722 11.524 6.221) 17.575 6.844 ( 11.013 -8.671 -8.756) 16.527 7.752 ( 10.483 9.232 0.216) 13.971 7.879 ( -3.037 8.476 -9.781) 13.294 8.091 ( -2.640 5.577 5.780) 8.454 8.352 ( -9.507 -0.705 -9.677) 13.584 8.618 ( -6.951 -16.410 15.137) 23.382 9.182 ( -7.252 -5.708 3.903) 10.020 11.274 ( -12.517 -3.281 3.324) 13.360 11.485 ( -2.340 -2.710 2.106) 4.154 11.820 ( 5.064 5.454 -3.609) 8.271 12.488 ( 4.205 -3.143 1.010) 5.346 13.525 ( 0.102 4.642 -8.302) 9.512 13.762 ( -7.449 1.017 -3.835) 8.440 14.340 ( 7.142 17.315 11.629) 22.047 15.322 ( -4.576 5.720 1.162) 7.416 17.503 ( -3.879 -8.010 10.548) 13.801 18.015 ( -11.143 8.490 -7.159) 15.732 18.518 ( -4.259 2.895 -3.916) 6.469 19.094 ( -5.220 -9.976 5.547) 12.552 20.710 ( 14.529 9.692 1.071) 17.498 21.273 ( 7.976 7.629 -7.487) 13.337 21.940 ( -7.168 -0.133 1.619) 7.350 22.514 ( 5.380 -5.947 -3.872) 8.905 ======================= Grid point 273 (127/300) ======================= q-point: ( 0.45 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 8.114 -6.421 0.788) 10.377 1.916 ( 1.078 -9.561 4.813) 10.758 2.292 ( 2.096 1.831 0.744) 2.881 2.813 ( 26.627 2.826 -4.758) 27.196 3.138 ( -10.563 2.418 -1.820) 10.989 3.492 ( -4.458 -8.207 4.159) 10.224 4.079 ( -6.921 -1.043 6.587) 9.612 4.172 ( -9.393 -12.232 15.542) 21.895 4.855 ( -12.535 -7.968 8.034) 16.887 5.011 ( 3.292 -3.250 2.350) 5.189 5.495 ( 0.703 0.263 -1.402) 1.590 5.720 ( -1.745 3.441 6.884) 7.892 6.567 ( 10.076 9.163 -1.042) 13.659 7.028 ( 5.702 -5.598 -7.506) 10.963 7.520 ( 0.685 15.614 -5.315) 16.508 7.763 ( 2.989 4.585 -7.102) 8.966 7.947 ( -1.452 8.121 6.680) 10.616 8.257 ( -5.424 2.553 -4.703) 7.619 8.928 ( -7.817 -17.965 12.887) 23.451 9.271 ( -2.920 -6.898 7.319) 10.472 11.244 ( -7.858 -1.664 1.245) 8.128 11.578 ( -3.405 -8.333 6.685) 11.213 11.755 ( 5.609 4.684 -6.086) 9.510 12.568 ( 6.346 -0.378 -0.814) 6.409 13.411 ( -0.245 5.941 -1.941) 6.255 13.622 ( -5.799 5.830 -6.461) 10.458 14.190 ( 1.093 6.036 11.793) 13.293 15.174 ( -2.636 6.737 0.092) 7.235 17.616 ( -1.197 -0.189 -1.118) 1.648 17.786 ( -12.292 0.698 0.344) 12.316 18.436 ( -3.103 2.978 2.310) 4.882 19.197 ( -5.673 -4.439 2.455) 7.610 20.627 ( 15.253 11.819 3.071) 19.539 21.240 ( 8.098 0.849 -2.093) 8.408 21.879 ( -10.309 -0.457 -2.848) 10.705 22.624 ( 4.623 -2.799 -3.776) 6.593 ======================= Grid point 274 (128/300) ======================= q-point: ( 0.55 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 8.825 -8.770 -5.112) 13.451 2.066 ( 2.142 -4.448 1.750) 5.238 2.215 ( 0.313 5.786 -5.969) 8.319 2.743 ( -5.729 10.016 -4.588) 12.418 3.213 ( 15.776 -6.743 2.969) 17.411 3.662 ( -3.887 -11.629 -0.940) 12.298 4.019 ( -7.374 1.173 2.553) 7.891 4.438 ( 0.041 -15.168 17.251) 22.971 4.771 ( -8.242 5.225 -6.149) 11.534 5.191 ( -2.146 -7.752 18.035) 19.747 5.465 ( -2.696 0.517 -0.498) 2.790 5.731 ( 2.629 -2.396 4.200) 5.504 6.439 ( 2.819 10.124 -5.003) 11.639 7.074 ( 2.457 3.591 -3.410) 5.528 7.312 ( 0.508 3.382 -5.155) 6.186 7.630 ( -3.417 7.744 -1.218) 8.551 7.847 ( 6.568 7.065 -0.900) 9.688 8.183 ( -3.181 0.273 -2.625) 4.134 9.187 ( -8.199 -13.683 11.330) 19.565 9.423 ( 1.181 -8.054 10.894) 13.600 11.227 ( -4.159 -1.178 0.607) 4.365 11.700 ( 5.462 2.917 -1.273) 6.321 11.762 ( -3.985 -10.985 3.017) 12.069 12.563 ( 5.510 5.841 -3.333) 8.694 13.333 ( 0.256 1.983 6.035) 6.358 13.485 ( -2.426 3.748 -5.684) 7.228 14.136 ( -4.079 1.902 8.453) 9.577 15.058 ( 0.089 4.220 -1.712) 4.555 17.440 ( -0.606 9.909 -10.067) 14.138 17.862 ( -11.860 -11.167 6.817) 17.659 18.365 ( -1.039 4.424 8.959) 10.045 19.201 ( -5.804 -1.647 -1.134) 6.139 20.529 ( 16.973 12.781 3.535) 21.539 21.333 ( 2.897 -4.077 4.699) 6.863 21.800 ( -8.324 -1.151 -7.566) 11.307 22.671 ( 3.011 -0.071 -4.010) 5.016 ======================= Grid point 275 (129/300) ======================= q-point: (-0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 7.627 -3.945 -5.196) 10.037 2.075 ( 5.381 8.298 -8.162) 12.823 2.138 ( 0.182 -1.818 -2.190) 2.852 2.496 ( -13.850 6.445 -3.265) 15.621 3.476 ( 17.172 -5.265 3.296) 18.261 3.818 ( -0.569 -5.611 0.404) 5.654 3.976 ( -5.813 -3.876 0.530) 7.007 4.496 ( -7.411 13.844 -5.807) 16.742 4.787 ( 2.285 -14.792 12.858) 19.733 5.292 ( -7.058 -2.772 14.558) 16.415 5.485 ( -1.169 -3.789 2.003) 4.443 5.792 ( 5.650 2.043 2.256) 6.417 6.265 ( -3.852 3.090 -7.916) 9.330 6.951 ( 0.640 10.111 0.919) 10.172 7.353 ( 0.891 -5.205 -0.878) 5.353 7.501 ( -0.546 2.652 0.392) 2.735 7.735 ( 4.872 8.904 -4.463) 11.087 8.195 ( -1.743 -3.957 -2.866) 5.188 9.356 ( -8.171 -9.046 9.985) 15.757 9.610 ( 3.339 -6.720 10.647) 13.026 11.228 ( -1.352 -1.299 0.522) 1.947 11.678 ( 4.178 2.306 -3.883) 6.153 11.952 ( -5.122 -10.892 4.696) 12.920 12.441 ( 2.380 8.690 -3.023) 9.504 13.365 ( 0.556 -2.205 10.566) 10.808 13.428 ( 0.021 0.387 -3.313) 3.335 14.078 ( -3.818 2.908 4.992) 6.925 15.018 ( 0.601 -0.155 -3.315) 3.373 17.294 ( 4.622 4.801 -5.997) 8.965 17.967 ( -13.010 -8.621 2.151) 15.754 18.302 ( -0.251 4.190 14.417) 15.016 19.204 ( -4.536 -4.086 -2.354) 6.544 20.436 ( 18.778 12.653 3.185) 22.866 21.343 ( -14.456 0.464 2.021) 14.604 21.840 ( 4.708 -6.756 -4.573) 9.419 22.656 ( 1.306 2.406 -4.476) 5.247 ======================= Grid point 276 (130/300) ======================= q-point: (-0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.682 6.636 -2.458) 7.977 1.931 ( 7.408 10.818 -5.021) 14.040 2.184 ( -1.143 -1.916 -1.504) 2.690 2.302 ( -11.467 1.337 -8.426) 14.293 3.570 ( 9.475 8.756 -0.180) 12.902 3.891 ( 5.420 -2.640 5.060) 7.871 4.090 ( -4.156 -5.873 -5.240) 8.901 4.186 ( -5.374 5.906 2.260) 8.298 5.023 ( -0.794 -1.383 17.649) 17.721 5.245 ( -9.518 -0.388 4.219) 10.418 5.544 ( 4.738 -0.589 -0.692) 4.824 5.804 ( -1.436 -3.717 4.861) 6.285 6.297 ( 2.142 -7.492 -9.047) 11.940 6.710 ( -3.767 14.220 0.119) 14.711 7.458 ( 2.839 -2.125 6.459) 7.369 7.489 ( 3.534 3.188 -2.711) 5.478 7.650 ( 0.198 -2.739 -3.432) 4.395 8.289 ( -1.239 -8.445 -3.870) 9.371 9.442 ( -7.733 -4.780 8.516) 12.456 9.719 ( 2.094 0.207 5.092) 5.510 11.275 ( 0.973 -4.224 1.959) 4.757 11.657 ( 1.629 1.597 -3.615) 4.275 12.064 ( -6.696 -4.313 0.643) 7.990 12.314 ( 0.185 4.402 -0.010) 4.406 13.435 ( -1.865 -2.537 15.673) 15.986 13.455 ( 0.501 -3.495 -2.646) 4.412 13.997 ( 1.352 5.296 1.259) 5.609 15.055 ( -0.761 -4.658 -3.424) 5.831 17.325 ( 11.953 -2.141 -0.526) 12.155 17.963 ( -9.901 0.404 3.822) 10.621 18.296 ( -5.228 -3.006 11.876) 13.320 19.283 ( -2.498 -7.898 -2.790) 8.740 20.367 ( 20.727 11.806 3.067) 24.050 21.157 ( -22.193 2.595 -4.388) 22.771 22.036 ( 8.527 -7.879 0.223) 11.612 22.584 ( -0.464 4.724 -4.811) 6.758 ======================= Grid point 277 (131/300) ======================= q-point: (-0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -1.985 13.594 -3.005) 14.063 1.773 ( 8.224 12.266 2.932) 15.056 2.056 ( -9.977 6.027 -2.383) 11.897 2.319 ( 2.473 -3.438 -7.691) 8.779 3.385 ( 7.752 15.070 2.687) 17.159 3.878 ( -13.429 1.007 1.172) 13.518 4.089 ( 6.381 -4.020 -1.654) 7.721 4.329 ( 5.016 -7.188 7.384) 11.461 4.849 ( -3.266 15.195 16.798) 22.885 5.271 ( -9.703 -2.496 12.128) 15.731 5.608 ( 6.606 -3.449 -9.641) 12.185 5.900 ( -7.038 -7.845 3.496) 11.104 6.362 ( -6.901 10.035 -0.475) 12.188 6.519 ( 10.995 -3.677 -9.254) 14.834 7.334 ( 2.356 8.066 -5.297) 9.933 7.616 ( 2.210 -7.254 8.381) 11.302 7.768 ( 0.352 -7.502 -0.523) 7.528 8.461 ( -1.783 -11.840 -5.013) 12.980 9.445 ( -6.017 1.236 4.401) 7.557 9.636 ( -2.403 8.289 -0.884) 8.675 11.412 ( 2.168 -7.966 4.526) 9.415 11.626 ( -1.480 0.784 -2.876) 3.328 12.004 ( -6.846 3.672 -1.745) 7.962 12.300 ( -1.339 -2.124 1.274) 2.816 13.494 ( -8.440 -5.033 10.815) 14.613 13.547 ( 2.642 -5.059 6.003) 8.283 13.917 ( 7.223 6.967 -0.284) 10.039 15.158 ( -1.307 -7.809 -2.474) 8.295 17.535 ( 17.487 -7.007 4.826) 19.447 17.846 ( -6.616 5.851 8.101) 11.984 18.364 ( -10.626 -8.188 5.923) 14.664 19.432 ( -1.363 -10.120 -4.518) 11.166 20.327 ( 20.621 10.647 4.146) 23.575 20.939 ( -19.905 1.058 -8.821) 21.798 22.226 ( 7.299 -5.648 1.176) 9.303 22.457 ( -2.296 6.694 -4.431) 8.350 ======================= Grid point 278 (132/300) ======================= q-point: (-0.09 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -5.877 16.827 -0.157) 17.825 1.624 ( 9.444 12.414 8.611) 17.817 1.876 ( -5.150 6.949 -0.237) 8.652 2.355 ( 4.565 1.748 -0.906) 4.972 3.223 ( 4.026 8.373 10.014) 13.660 3.788 ( -11.008 -1.855 -1.515) 11.266 4.214 ( 5.471 -3.712 0.225) 6.615 4.432 ( -3.901 3.371 14.268) 15.171 4.646 ( 6.447 6.482 8.600) 12.552 5.186 ( -11.360 4.826 14.331) 18.913 5.685 ( -1.373 -1.967 -9.509) 9.807 6.002 ( -3.204 -7.789 -0.754) 8.456 6.114 ( -5.547 7.105 2.778) 9.432 6.642 ( 12.960 2.549 -10.067) 16.607 7.291 ( 4.230 -3.844 -5.693) 8.067 7.801 ( 0.911 -9.703 6.395) 11.656 7.892 ( 1.805 -4.510 2.456) 5.444 8.644 ( -4.260 -11.127 -6.666) 13.653 9.222 ( -3.752 18.928 -8.185) 20.960 9.495 ( -7.541 2.161 4.997) 9.301 11.532 ( 2.139 0.394 0.225) 2.187 11.656 ( -4.125 -8.681 3.200) 10.129 11.858 ( -10.309 4.262 -0.650) 11.175 12.345 ( 0.585 -2.214 1.097) 2.539 13.554 ( -5.664 -6.164 -0.058) 8.371 13.716 ( 0.596 -9.613 12.702) 15.941 13.855 ( 7.987 5.578 4.713) 10.822 15.299 ( -1.060 -8.520 -1.697) 8.752 17.654 ( -1.249 8.459 11.288) 14.161 17.887 ( 14.825 -10.607 6.418) 19.326 18.446 ( -13.097 -9.174 2.937) 16.258 19.573 ( -5.071 -7.072 -5.538) 10.315 20.304 ( 13.506 6.098 3.768) 15.291 20.823 ( -3.081 -1.477 -12.691) 13.143 22.289 ( -4.070 7.850 -2.457) 9.177 22.351 ( 5.293 -2.379 0.678) 5.842 ======================= Grid point 282 (133/300) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.855 -0.000 12.904) 12.932 1.437 ( -6.604 -0.000 20.619) 21.651 2.229 ( 9.918 0.000 9.899) 14.013 2.477 ( 38.780 0.000 1.167) 38.798 3.168 ( -8.992 -0.000 29.994) 31.313 3.622 ( -12.696 -0.000 10.007) 16.166 3.839 ( -1.660 -0.000 -8.943) 9.096 3.899 ( -13.713 -0.000 6.461) 15.159 4.376 ( -13.820 -0.000 14.992) 20.390 5.328 ( -2.549 -0.000 -17.222) 17.410 5.382 ( 5.985 0.000 -5.298) 7.993 6.027 ( -4.419 -0.000 0.387) 4.436 6.637 ( 16.190 0.000 -7.373) 17.790 7.128 ( 4.489 0.000 31.422) 31.741 7.595 ( 11.785 0.000 -13.982) 18.286 7.936 ( 3.235 0.000 0.114) 3.237 8.317 ( -2.633 -0.000 2.873) 3.898 8.338 ( -2.095 -0.000 11.448) 11.638 8.376 ( -14.720 -0.000 -10.551) 18.111 9.041 ( -10.699 -0.000 1.747) 10.840 11.178 ( -13.261 -0.000 6.442) 14.743 11.479 ( -1.761 -0.000 -3.852) 4.236 11.959 ( 5.410 0.000 -0.431) 5.428 12.385 ( 0.786 0.000 -0.837) 1.149 13.616 ( 2.317 0.000 -13.241) 13.442 13.727 ( -7.896 -0.000 3.388) 8.592 14.898 ( 7.523 0.000 1.416) 7.655 15.383 ( -4.363 -0.000 4.220) 6.070 17.342 ( -3.966 -0.000 11.953) 12.593 18.148 ( -18.741 -0.000 0.381) 18.745 18.580 ( -13.850 -0.000 -10.647) 17.469 18.838 ( 8.772 0.000 -0.426) 8.783 20.913 ( 15.603 0.000 -1.510) 15.676 21.451 ( -2.041 -0.000 2.336) 3.102 22.129 ( 13.031 0.000 -6.042) 14.363 22.205 ( -5.085 -0.000 -1.915) 5.434 ======================= Grid point 283 (134/300) ======================= q-point: ( 0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.605 3.658 18.402) 18.771 1.493 ( -2.159 -8.872 10.892) 14.213 2.314 ( 9.221 0.537 7.723) 12.040 2.792 ( 32.115 -3.166 -2.891) 32.400 3.146 ( -8.700 0.569 17.674) 19.707 3.625 ( -7.638 10.140 0.939) 12.729 3.691 ( -10.647 -12.240 16.309) 23.003 3.958 ( -7.692 -6.373 0.757) 10.018 4.382 ( -10.983 -7.567 18.729) 22.993 5.184 ( -3.723 6.182 -15.736) 17.311 5.456 ( 4.054 -2.569 -3.905) 6.187 5.940 ( -2.839 5.721 4.698) 7.929 6.782 ( 11.549 -4.332 -5.660) 13.571 7.017 ( 9.147 14.720 13.933) 22.237 7.831 ( 6.040 -6.296 -7.954) 11.806 7.982 ( 1.534 -7.339 -0.981) 7.562 8.105 ( -6.839 10.858 -7.175) 14.702 8.272 ( -6.493 2.852 4.890) 8.614 8.425 ( -5.155 -5.379 11.028) 13.309 9.023 ( -7.843 -5.315 2.411) 9.777 11.130 ( -10.777 -2.925 6.692) 13.019 11.455 ( -1.283 0.135 -2.433) 2.754 11.954 ( 6.963 4.893 -4.400) 9.580 12.436 ( 1.825 -4.616 -1.455) 5.173 13.570 ( -1.201 3.036 -9.095) 9.663 13.682 ( -8.140 -1.619 -3.362) 8.955 14.774 ( 8.577 17.902 6.192) 20.794 15.356 ( -5.006 1.398 3.374) 6.197 17.373 ( -5.185 -4.210 11.987) 13.723 18.016 ( -12.569 1.262 -4.957) 13.570 18.449 ( -11.293 0.453 -11.208) 15.917 18.956 ( 4.812 -5.793 3.057) 8.127 20.967 ( 13.503 5.912 1.495) 14.817 21.410 ( -0.084 3.120 -0.070) 3.122 21.980 ( -1.705 8.742 -0.975) 8.960 22.395 ( 5.208 -9.853 -6.275) 12.790 ======================= Grid point 284 (135/300) ======================= q-point: ( 0.45 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 4.795 -0.405 9.597) 10.736 1.714 ( -1.884 -12.654 9.269) 15.798 2.353 ( 3.157 2.016 2.978) 4.786 3.062 ( 31.538 -0.682 -4.109) 31.811 3.101 ( -8.756 0.844 0.163) 8.798 3.395 ( -11.254 4.597 6.301) 13.693 3.913 ( -7.857 -12.888 15.803) 21.853 3.992 ( -5.758 -3.314 7.972) 10.377 4.560 ( -10.280 -14.173 17.750) 24.932 5.029 ( -2.347 3.443 -9.586) 10.452 5.504 ( 2.627 -0.401 -1.831) 3.227 5.828 ( -0.771 6.101 9.089) 10.974 6.804 ( 2.900 8.867 5.644) 10.903 6.987 ( 13.215 -2.126 -9.663) 16.508 7.725 ( -9.500 9.965 -15.235) 20.534 7.902 ( 7.766 8.549 -1.221) 11.615 8.075 ( -1.364 4.187 5.094) 6.734 8.221 ( -4.034 -1.784 -2.537) 5.088 8.593 ( -5.630 -15.028 17.358) 23.640 9.117 ( -3.452 -8.305 4.729) 10.161 11.137 ( -7.344 -3.604 3.869) 9.050 11.466 ( -1.259 -2.983 2.424) 4.045 11.888 ( 6.487 5.940 -6.656) 11.030 12.554 ( 4.489 -5.115 -1.753) 7.028 13.465 ( -6.543 2.939 -4.808) 8.636 13.628 ( -3.580 1.504 -9.904) 10.638 14.489 ( 5.523 19.286 12.051) 23.403 15.261 ( -4.183 5.097 2.238) 6.963 17.464 ( -7.540 -8.023 9.878) 14.791 17.848 ( -4.857 8.258 -11.449) 14.929 18.375 ( -9.739 -3.110 -5.363) 11.545 19.097 ( 0.761 -5.117 5.240) 7.363 20.933 ( 11.852 8.179 5.751) 15.507 21.354 ( 7.336 4.802 -4.807) 9.999 21.827 ( -8.103 3.907 0.394) 9.004 22.562 ( 3.452 -6.103 -6.126) 9.311 ======================= Grid point 285 (136/300) ======================= q-point: ( 0.55 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 8.065 -6.058 0.068) 10.087 1.929 ( -3.117 -10.218 6.854) 12.693 2.308 ( 1.333 4.183 -2.805) 5.209 2.890 ( -9.754 11.810 -5.727) 16.353 3.278 ( 20.798 -2.500 1.023) 20.973 3.427 ( -1.503 -9.634 2.642) 10.102 3.946 ( -11.039 -1.895 1.029) 11.248 4.209 ( 0.949 -13.769 23.587) 27.329 4.697 ( -9.679 -5.048 0.399) 10.923 5.055 ( -1.760 -7.749 10.298) 13.008 5.493 ( 0.288 2.855 -2.090) 3.550 5.765 ( 2.149 2.683 10.887) 11.417 6.648 ( 0.750 10.453 -1.410) 10.574 7.093 ( 7.933 -1.855 -8.254) 11.598 7.428 ( -5.775 10.331 -12.046) 16.888 7.753 ( -3.768 9.259 -1.372) 10.090 8.023 ( 9.249 4.650 1.572) 10.471 8.174 ( -4.343 2.508 -0.298) 5.025 8.891 ( -5.130 -16.045 15.709) 23.033 9.286 ( 0.279 -9.597 8.311) 12.699 11.157 ( -4.031 -2.729 0.633) 4.909 11.568 ( -1.660 -7.964 6.811) 10.610 11.819 ( 6.160 5.112 -6.240) 10.150 12.646 ( 4.667 -0.524 -3.212) 5.690 13.361 ( -6.434 1.615 -1.995) 6.927 13.539 ( 1.028 3.980 -9.272) 10.142 14.243 ( -1.621 11.684 14.080) 18.368 15.142 ( -1.565 5.316 0.253) 5.548 17.580 ( -7.860 -7.946 3.781) 11.799 17.617 ( -3.502 8.804 -10.161) 13.893 18.372 ( -5.286 -2.586 2.240) 6.296 19.153 ( -2.346 -0.717 3.314) 4.123 20.885 ( 14.678 9.796 7.580) 19.206 21.338 ( 5.370 2.051 -1.257) 5.884 21.716 ( -8.297 0.230 -3.451) 8.989 22.648 ( 1.104 -2.927 -5.900) 6.678 ======================= Grid point 286 (137/300) ======================= q-point: (-0.36 -0.73 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.118 -7.845 -5.510) 12.562 2.061 ( -4.000 -5.897 3.137) 7.786 2.222 ( 2.710 5.492 -6.751) 9.115 2.578 ( -8.618 12.333 -3.681) 15.490 3.490 ( 7.899 -8.012 0.393) 11.258 3.643 ( 9.194 -9.322 2.732) 13.375 3.889 ( -10.656 -1.032 2.143) 10.918 4.547 ( 2.956 -15.569 17.441) 23.565 4.637 ( -4.484 4.890 -6.765) 9.476 5.209 ( -6.001 -5.811 18.044) 19.884 5.422 ( -1.588 0.964 -1.229) 2.228 5.823 ( 5.621 -2.705 7.235) 9.553 6.399 ( -4.846 13.479 -5.646) 15.397 7.107 ( 4.147 5.362 -4.387) 8.074 7.292 ( 1.099 -1.201 -7.383) 7.560 7.552 ( -6.587 6.439 0.108) 9.212 7.966 ( 7.950 10.423 -0.960) 13.144 8.126 ( -2.103 -1.410 -1.641) 3.018 9.142 ( -4.772 -11.566 13.750) 18.590 9.500 ( 2.531 -9.754 10.603) 14.627 11.181 ( -1.953 -2.350 -0.171) 3.060 11.716 ( -1.802 -4.476 -2.240) 5.319 11.792 ( 5.089 -1.394 4.481) 6.922 12.601 ( 1.777 6.849 -4.712) 8.501 13.320 ( -4.001 -1.548 2.006) 4.735 13.485 ( 4.954 2.636 -3.980) 6.880 14.096 ( -6.704 3.916 11.182) 13.613 15.050 ( 0.138 3.728 -2.453) 4.465 17.428 ( 4.530 7.546 -8.510) 12.243 17.686 ( -13.209 -10.251 0.886) 16.743 18.380 ( -1.879 0.723 10.052) 10.252 19.134 ( -2.898 -0.202 0.609) 2.968 20.820 ( 17.600 12.107 6.779) 22.412 21.271 ( -12.924 3.541 0.357) 13.405 21.748 ( 5.412 -6.436 -3.755) 9.210 22.665 ( -0.986 -0.348 -6.039) 6.129 ======================= Grid point 287 (138/300) ======================= q-point: (-0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 5.877 -2.632 -5.958) 8.773 2.112 ( 0.150 -2.393 -5.007) 5.551 2.130 ( -0.370 3.603 -5.482) 6.570 2.309 ( -4.157 10.790 -1.270) 11.633 3.656 ( 1.239 -4.550 -0.940) 4.808 3.853 ( -2.697 -3.461 4.128) 6.024 3.911 ( 5.384 -9.441 3.771) 11.504 4.407 ( 0.709 15.152 -7.917) 17.111 4.867 ( 0.585 -13.464 10.971) 17.377 5.219 ( -8.914 0.840 13.074) 15.846 5.489 ( -0.581 -6.593 4.755) 8.150 5.864 ( 1.174 6.687 -0.083) 6.790 6.204 ( 0.976 -1.538 -3.761) 4.179 6.938 ( -1.677 12.962 -2.153) 13.246 7.382 ( 2.804 -5.780 -0.174) 6.427 7.488 ( -1.466 -3.346 -0.164) 3.657 7.787 ( 2.914 12.288 -2.145) 12.810 8.160 ( -0.029 -3.595 -3.773) 5.212 9.303 ( -4.878 -7.047 12.132) 14.854 9.693 ( 1.813 -5.893 8.675) 10.643 11.217 ( -0.357 -2.827 0.473) 2.888 11.689 ( -0.204 2.157 -6.276) 6.639 11.938 ( 0.574 -6.594 6.838) 9.517 12.444 ( -0.175 8.772 -2.710) 9.183 13.348 ( -3.643 -3.508 2.325) 5.566 13.486 ( 3.791 1.484 4.625) 6.162 14.040 ( -3.896 0.062 5.290) 6.570 15.000 ( -0.454 0.543 -4.258) 4.317 17.394 ( 10.698 0.757 -2.764) 11.075 17.762 ( -13.250 -9.122 -2.494) 16.278 18.348 ( -1.780 4.225 14.869) 15.560 19.155 ( -1.007 -4.140 -0.571) 4.299 20.747 ( 18.727 12.050 5.923) 23.043 21.046 ( -21.933 4.832 -3.794) 22.778 21.956 ( 10.131 -8.484 -0.243) 13.216 22.621 ( -2.819 2.034 -6.266) 7.166 ======================= Grid point 288 (139/300) ======================= q-point: (-0.18 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.505 9.604 -5.163) 10.915 2.049 ( -6.792 1.702 -4.342) 8.239 2.089 ( 10.836 11.882 -0.231) 16.083 2.213 ( 0.800 -5.928 -7.448) 9.552 3.660 ( -1.351 2.395 0.385) 2.777 3.863 ( -4.180 10.039 2.297) 11.115 4.007 ( -2.165 -4.903 -5.158) 7.438 4.309 ( 12.694 -2.874 7.771) 15.159 5.084 ( -6.978 -10.251 7.219) 14.349 5.098 ( -5.463 9.464 12.851) 16.869 5.607 ( 3.647 -2.380 -0.350) 4.369 5.732 ( -7.535 -1.206 -1.529) 7.783 6.382 ( 10.408 -8.480 -1.750) 13.538 6.638 ( -4.272 14.193 -3.180) 15.159 7.521 ( 2.419 -4.396 3.160) 5.930 7.544 ( 2.789 7.727 2.812) 8.682 7.622 ( -1.430 -5.126 -4.423) 6.919 8.251 ( -0.806 -7.835 -5.267) 9.475 9.383 ( -5.289 -3.242 10.656) 12.330 9.737 ( -1.995 3.204 2.541) 4.550 11.298 ( 0.529 -5.799 2.774) 6.450 11.628 ( -2.810 1.829 -4.073) 5.276 12.023 ( 0.828 -0.017 1.198) 1.457 12.304 ( -1.390 4.108 0.742) 4.400 13.383 ( -6.468 -3.134 4.760) 8.621 13.512 ( 0.945 -1.494 8.169) 8.358 14.039 ( 3.333 1.155 0.430) 3.553 15.017 ( -1.664 -4.470 -3.825) 6.114 17.543 ( 14.432 -5.945 2.780) 15.854 17.804 ( -9.881 -5.117 -1.868) 11.283 18.277 ( -4.938 3.367 13.804) 15.042 19.265 ( 1.255 -7.447 -1.184) 7.644 20.671 ( 7.483 11.354 7.999) 15.776 20.805 ( -11.489 2.378 -9.284) 14.961 22.175 ( 8.864 -6.770 0.511) 11.165 22.523 ( -4.084 4.229 -5.899) 8.328 ======================= Grid point 289 (140/300) ======================= q-point: (-0.09 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -3.822 15.879 -5.622) 17.273 1.934 ( 2.301 7.075 -0.364) 7.448 1.982 ( 9.842 9.706 2.688) 14.082 2.329 ( 2.809 -5.737 -7.370) 9.752 3.521 ( 8.137 16.704 2.205) 18.711 3.653 ( -14.932 -1.677 -0.084) 15.026 4.126 ( -0.643 -7.256 -0.008) 7.284 4.468 ( 4.359 -1.187 12.373) 13.172 4.891 ( 0.743 11.527 10.652) 15.713 5.161 ( -10.612 -2.368 12.962) 16.918 5.616 ( -0.751 -1.258 -9.859) 9.967 5.811 ( -3.779 -8.324 -0.374) 9.150 6.281 ( -3.009 13.094 0.232) 13.438 6.696 ( 15.153 -7.780 -5.839) 18.007 7.344 ( 1.293 8.266 -3.672) 9.136 7.666 ( 1.316 -6.448 2.343) 6.986 7.773 ( -0.565 -9.138 3.630) 9.849 8.398 ( -3.099 -10.299 -6.575) 12.606 9.382 ( -5.665 2.246 8.288) 10.288 9.560 ( -6.391 10.868 -2.408) 12.836 11.444 ( -1.986 -8.931 5.856) 10.863 11.568 ( -2.775 1.406 -1.884) 3.637 11.931 ( -2.383 8.061 -2.368) 8.733 12.308 ( 1.740 -2.945 1.784) 3.858 13.401 ( -8.071 -4.497 6.864) 11.510 13.597 ( 0.048 -5.464 6.696) 8.643 14.030 ( 6.882 4.338 0.060) 8.135 15.120 ( -2.021 -8.459 -2.384) 9.017 17.757 ( -6.896 -1.792 1.891) 7.372 17.831 ( 15.432 -5.334 8.744) 18.522 18.240 ( -8.517 -3.221 6.646) 11.273 19.415 ( 0.608 -7.303 -2.689) 7.806 20.465 ( -11.670 6.607 3.540) 13.870 20.792 ( 12.812 0.398 -7.363) 14.782 22.307 ( -0.752 -1.223 -3.293) 3.592 22.407 ( 2.230 3.299 -1.330) 4.199 ======================= Grid point 294 (141/300) ======================= q-point: ( 0.36 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -1.487 -0.000 15.134) 15.207 1.447 ( -3.342 -0.000 18.739) 19.035 2.400 ( 7.574 0.000 4.216) 8.669 2.974 ( 20.784 0.000 2.742) 20.964 3.161 ( -3.182 -0.000 16.753) 17.053 3.492 ( -9.361 -0.000 10.706) 14.221 3.705 ( -15.685 -0.000 8.301) 17.746 3.830 ( 4.581 0.000 -1.968) 4.986 4.295 ( -6.089 -0.000 20.389) 21.279 5.158 ( -8.959 -0.000 -16.114) 18.437 5.461 ( 6.378 0.000 -3.072) 7.080 5.974 ( -4.233 -0.000 4.000) 5.824 6.826 ( 12.487 0.000 -6.082) 13.889 7.318 ( 2.633 0.000 31.047) 31.159 7.686 ( 7.640 0.000 -15.453) 17.239 7.866 ( -10.093 -0.000 -14.570) 17.724 8.238 ( 0.788 0.000 5.017) 5.079 8.268 ( -4.072 -0.000 -1.741) 4.429 8.348 ( -3.127 -0.000 11.017) 11.453 8.916 ( -6.262 -0.000 2.465) 6.729 11.048 ( -7.857 -0.000 8.940) 11.902 11.446 ( 0.101 0.000 -4.245) 4.246 12.064 ( 9.741 0.000 -6.542) 11.734 12.374 ( -0.971 -0.000 -4.021) 4.137 13.552 ( -15.525 -0.000 0.640) 15.538 13.606 ( 3.823 0.000 -13.828) 14.347 15.044 ( 9.650 0.000 3.879) 10.400 15.330 ( -5.037 -0.000 5.189) 7.231 17.328 ( -4.938 -0.000 13.255) 14.145 17.884 ( -14.987 -0.000 -2.795) 15.245 18.363 ( -7.904 -0.000 -14.597) 16.599 18.948 ( 6.295 0.000 -0.823) 6.348 21.126 ( 11.963 0.000 0.406) 11.969 21.405 ( -5.818 -0.000 8.295) 10.132 22.124 ( -4.013 -0.000 -2.196) 4.574 22.272 ( 9.900 0.000 -10.121) 14.158 ======================= Grid point 295 (142/300) ======================= q-point: ( 0.45 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.362 1.278 17.246) 17.297 1.513 ( -2.478 -8.361 12.934) 15.600 2.424 ( 2.787 2.550 2.043) 4.295 3.035 ( -11.059 -0.187 10.436) 15.206 3.222 ( 20.581 -1.312 -2.673) 20.795 3.492 ( -9.569 9.072 7.231) 15.038 3.630 ( -7.236 -13.470 8.733) 17.609 3.942 ( 3.672 -4.400 8.056) 9.886 4.351 ( -3.789 -4.984 22.484) 23.340 5.024 ( -8.222 2.593 -13.035) 15.628 5.514 ( 4.871 -0.938 -2.231) 5.439 5.924 ( -2.725 3.067 7.618) 8.653 6.904 ( 6.620 0.492 -1.743) 6.863 7.187 ( 6.879 12.911 6.585) 16.043 7.718 ( -12.366 3.213 -17.444) 21.623 7.941 ( 0.499 -15.645 -0.083) 15.653 8.129 ( 1.915 8.803 -4.146) 9.917 8.224 ( -0.158 3.222 8.019) 8.644 8.415 ( -3.009 -5.080 12.318) 13.660 8.956 ( -2.241 -6.846 3.315) 7.930 11.045 ( -4.556 -2.439 8.521) 9.965 11.441 ( 1.002 -0.100 -2.341) 2.548 12.041 ( 7.609 6.611 -8.536) 13.209 12.449 ( 1.934 -7.744 -4.902) 9.367 13.408 ( -15.638 1.508 -1.815) 15.815 13.612 ( 2.791 -0.192 -13.041) 13.337 14.932 ( 7.855 18.156 7.869) 21.290 15.301 ( -4.215 1.751 4.403) 6.342 17.331 ( -7.191 -2.203 11.655) 13.871 17.840 ( -7.024 -3.856 -6.201) 10.132 18.247 ( -8.029 1.459 -13.288) 15.593 19.037 ( 4.331 -4.318 1.270) 6.246 21.135 ( 5.985 5.833 4.876) 9.676 21.418 ( 0.819 -1.958 3.107) 3.763 21.941 ( -1.613 11.478 -2.205) 11.799 22.435 ( 3.713 -8.357 -8.803) 12.693 ======================= Grid point 296 (143/300) ======================= q-point: (-0.45 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 5.269 -1.632 8.546) 10.171 1.708 ( -4.664 -11.613 10.816) 16.541 2.370 ( -2.113 3.342 0.464) 3.981 2.960 ( -7.002 2.916 -5.346) 9.280 3.234 ( -13.771 1.484 9.953) 17.056 3.497 ( 25.691 -1.879 -2.075) 25.843 3.785 ( -9.538 -7.256 0.581) 11.999 4.092 ( 4.750 -6.608 22.862) 24.267 4.497 ( -6.523 -8.642 15.033) 18.526 4.939 ( -6.206 -2.813 -1.876) 7.068 5.541 ( 3.435 1.209 -2.218) 4.264 5.872 ( 0.810 3.701 11.339) 11.955 6.821 ( -2.762 9.326 4.344) 10.653 7.134 ( 10.842 1.049 -10.523) 15.145 7.496 ( -10.277 6.780 -16.033) 20.214 7.904 ( -4.943 10.494 -3.472) 12.108 8.108 ( 0.359 -0.652 0.108) 0.752 8.240 ( 7.759 2.429 4.844) 9.463 8.596 ( -3.892 -15.069 17.204) 23.199 9.122 ( 1.032 -9.946 5.591) 11.457 11.088 ( -1.425 -2.655 4.639) 5.531 11.473 ( 0.726 -3.144 2.871) 4.319 11.952 ( 6.057 5.998 -8.232) 11.850 12.604 ( 3.884 -6.395 -4.830) 8.906 13.278 ( -13.349 -0.725 -4.106) 13.985 13.590 ( 2.999 1.988 -11.580) 12.126 14.607 ( 2.731 22.363 13.020) 26.021 15.221 ( -2.306 4.386 2.815) 5.699 17.358 ( -10.451 -5.964 6.538) 13.694 17.776 ( 1.815 7.591 -12.668) 14.879 18.217 ( -7.835 -7.321 -3.454) 11.266 19.134 ( 1.250 -2.271 3.545) 4.392 21.091 ( 4.048 3.847 8.747) 10.378 21.472 ( 10.045 1.416 -3.096) 10.606 21.711 ( -6.235 9.115 -0.237) 11.046 22.557 ( -0.119 -5.496 -8.158) 9.837 ======================= Grid point 297 (144/300) ======================= q-point: (-0.36 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 7.118 -5.391 -0.333) 8.936 1.884 ( -6.109 -9.520 6.707) 13.150 2.282 ( -5.144 3.142 -1.686) 6.259 2.759 ( -1.620 11.558 -6.812) 13.513 3.262 ( -10.031 -11.054 4.507) 15.592 3.718 ( 21.218 -2.199 0.659) 21.341 3.781 ( -8.687 -1.560 0.030) 8.826 4.364 ( 4.904 -11.928 24.655) 27.824 4.577 ( -6.118 -4.424 -0.363) 7.559 5.040 ( -6.823 -10.148 13.678) 18.348 5.498 ( 2.111 5.332 -3.333) 6.633 5.867 ( 4.320 1.145 12.237) 13.028 6.588 ( -6.988 12.474 -1.612) 14.389 7.189 ( 8.946 -0.479 -9.971) 13.404 7.292 ( -4.085 4.659 -11.714) 13.252 7.648 ( -8.409 10.340 -2.682) 13.595 8.096 ( -3.889 1.177 0.801) 4.142 8.216 ( 11.968 7.598 1.498) 14.255 8.907 ( -1.891 -15.209 16.133) 22.252 9.347 ( 2.778 -10.975 8.692) 14.273 11.130 ( 0.114 -1.844 0.645) 1.957 11.583 ( -0.195 -6.764 5.721) 8.861 11.887 ( 6.265 4.247 -5.282) 9.230 12.672 ( 0.888 0.714 -4.533) 4.674 13.236 ( -6.283 -3.848 -4.858) 8.825 13.551 ( 4.039 2.080 -7.726) 8.963 14.262 ( -4.460 16.637 15.934) 23.464 15.131 ( 0.073 4.817 0.044) 4.818 17.414 ( -11.802 -8.182 1.301) 14.420 17.600 ( 4.340 9.168 -11.379) 15.244 18.321 ( -2.860 -6.780 4.068) 8.408 19.143 ( -1.020 1.603 3.312) 3.818 21.078 ( 1.319 3.227 9.651) 10.261 21.372 ( 2.850 14.444 -2.447) 14.924 21.664 ( 4.411 -6.223 -1.790) 7.836 22.604 ( -2.959 -2.896 -7.905) 8.924 ======================= Grid point 298 (145/300) ======================= q-point: (-0.27 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.093 -6.696 -5.915) 10.814 1.987 ( -7.415 -6.004 2.354) 9.827 2.169 ( -5.557 3.668 -4.374) 7.966 2.546 ( 6.410 11.691 -4.290) 14.007 3.441 ( -7.040 -13.552 -1.368) 15.333 3.727 ( -11.312 -2.400 2.771) 11.891 3.931 ( 18.200 -3.107 5.751) 19.338 4.533 ( -2.632 -0.239 -6.793) 7.289 4.711 ( 5.354 -9.422 17.358) 20.463 5.172 ( -8.438 -4.423 17.817) 20.204 5.412 ( 0.908 1.200 -2.234) 2.693 5.940 ( 4.434 -0.911 6.253) 7.720 6.279 ( -6.337 11.537 -3.006) 13.502 7.144 ( 3.016 9.261 -5.905) 11.390 7.293 ( 2.807 -5.240 -6.653) 8.922 7.437 ( -7.237 2.591 -2.470) 8.074 7.981 ( -5.464 7.494 2.533) 9.614 8.188 ( 10.219 4.633 -3.003) 11.615 9.162 ( -0.536 -9.643 14.302) 17.258 9.583 ( 2.266 -9.493 9.822) 13.846 11.167 ( 0.305 -2.178 -0.343) 2.226 11.678 ( -1.823 -2.030 -2.657) 3.808 11.899 ( 6.424 -1.417 4.096) 7.750 12.583 ( -1.260 6.801 -3.796) 7.890 13.270 ( -2.145 -3.160 -1.416) 4.073 13.553 ( 4.933 0.933 -2.611) 5.659 14.034 ( -8.408 5.288 13.417) 16.693 15.045 ( 0.922 4.456 -2.936) 5.416 17.483 ( -11.570 -7.652 -4.080) 14.459 17.504 ( 8.469 2.302 -4.516) 9.870 18.403 ( -0.817 -1.144 10.607) 10.699 19.115 ( -0.328 0.179 1.592) 1.635 20.963 ( -18.164 5.757 2.031) 19.163 21.144 ( 13.340 13.801 3.103) 19.444 21.875 ( 10.807 -8.974 -0.796) 14.069 22.589 ( -5.012 -0.650 -7.854) 9.340 ======================= Grid point 299 (146/300) ======================= q-point: (-0.18 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.737 -0.410 -6.059) 6.661 1.973 ( -9.923 -0.938 -2.916) 10.385 2.109 ( 1.139 -2.150 -6.948) 7.362 2.405 ( 12.258 10.954 -1.554) 16.513 3.550 ( -11.790 -4.708 -0.874) 12.725 3.781 ( -4.230 -10.392 0.836) 11.251 4.093 ( 8.734 2.319 7.348) 11.647 4.450 ( 8.215 5.550 -7.770) 12.596 4.881 ( -4.006 -4.632 8.820) 10.738 5.184 ( -3.450 -0.313 16.300) 16.664 5.496 ( -1.207 -7.902 3.363) 8.672 5.805 ( -5.908 11.162 -4.435) 13.386 6.287 ( 8.798 -8.376 3.013) 12.515 6.882 ( -4.043 15.757 -4.502) 16.879 7.422 ( 1.040 -7.451 2.346) 7.880 7.464 ( 0.892 -6.418 -5.492) 8.494 7.773 ( -4.542 10.907 1.138) 11.870 8.184 ( 5.394 0.973 -4.580) 7.143 9.315 ( -0.701 -4.438 12.991) 13.746 9.732 ( -1.339 -3.186 7.208) 7.993 11.220 ( 0.315 -3.477 0.662) 3.554 11.637 ( -2.161 2.239 -5.859) 6.634 12.015 ( 5.200 -3.560 5.498) 8.363 12.420 ( -1.657 8.536 -1.370) 8.803 13.300 ( -3.741 -2.257 2.122) 4.857 13.544 ( 0.844 2.360 5.285) 5.849 14.011 ( -2.753 -4.006 4.775) 6.814 14.980 ( 0.614 1.879 -4.239) 4.677 17.508 ( -5.163 -5.488 -4.599) 8.827 17.626 ( 7.288 -6.847 -0.092) 10.000 18.379 ( -2.546 5.254 14.482) 15.615 19.168 ( 2.803 -4.670 0.305) 5.455 20.667 ( -24.065 6.293 -3.760) 25.157 21.051 ( 16.579 11.110 6.058) 20.857 22.113 ( 9.828 -7.684 -0.642) 12.492 22.523 ( -5.817 1.324 -7.234) 9.377 ======================= Grid point 300 (147/300) ======================= q-point: (-0.09 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -4.413 11.125 -5.730) 13.270 1.971 ( 1.314 -0.119 -5.459) 5.616 2.193 ( 0.139 -6.294 -5.719) 8.505 2.317 ( 16.800 9.981 -0.721) 19.554 3.501 ( -15.023 -2.153 0.688) 15.192 3.919 ( 5.646 17.767 -3.046) 18.890 3.960 ( -0.948 -9.413 0.622) 9.481 4.521 ( 7.960 -0.732 11.389) 13.914 4.917 ( -10.104 -5.838 -0.214) 11.671 5.169 ( -0.113 5.354 18.394) 19.157 5.599 ( -5.932 2.587 -6.354) 9.069 5.655 ( 1.559 -6.684 1.597) 7.046 6.516 ( 0.678 10.592 0.921) 10.654 6.598 ( 7.132 -7.327 -4.350) 11.112 7.528 ( -3.210 10.374 -1.998) 11.041 7.583 ( 2.172 -5.588 -4.873) 7.726 7.595 ( -0.691 -8.448 6.792) 10.862 8.227 ( 1.002 -4.353 -5.865) 7.373 9.377 ( -2.058 -0.561 12.128) 12.314 9.683 ( -6.302 6.634 2.434) 9.468 11.306 ( -1.296 -5.602 3.031) 6.500 11.574 ( -1.148 1.545 -3.531) 4.021 12.069 ( 3.291 5.243 0.183) 6.193 12.289 ( -0.701 1.176 1.814) 2.273 13.304 ( -6.253 -1.761 5.719) 8.655 13.542 ( -0.991 -1.407 5.777) 6.028 14.088 ( 2.303 -2.355 0.911) 3.418 14.986 ( -0.135 -3.465 -3.337) 4.813 17.574 ( -8.839 -8.223 -5.349) 13.204 17.852 ( 13.859 -7.471 5.511) 16.681 18.258 ( -5.651 6.853 13.876) 16.476 19.303 ( 3.874 -6.198 -0.731) 7.346 20.399 ( -20.317 2.658 -3.651) 20.812 21.006 ( 16.161 8.314 4.062) 18.623 22.259 ( -0.246 -2.615 -4.826) 5.494 22.454 ( 1.073 0.751 -2.762) 3.057 ======================= Grid point 306 (148/300) ======================= q-point: (-0.55 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.325 -0.000 17.558) 17.870 1.497 ( -0.626 -0.000 17.642) 17.653 2.472 ( 0.629 0.000 -0.977) 1.162 2.970 ( -15.794 -0.000 15.078) 21.836 3.347 ( 14.297 0.000 -1.336) 14.359 3.443 ( -3.594 -0.000 6.008) 7.001 3.520 ( -12.374 -0.000 13.592) 18.381 3.919 ( 3.512 0.000 3.684) 5.090 4.404 ( 8.187 0.000 23.275) 24.673 4.946 ( -9.793 -0.000 -13.918) 17.018 5.538 ( 4.880 0.000 -1.643) 5.149 5.941 ( -2.801 -0.000 8.177) 8.644 6.963 ( 8.801 0.000 -4.758) 10.005 7.472 ( 0.616 0.000 28.010) 28.017 7.565 ( -15.364 -0.000 -14.472) 21.107 7.714 ( 2.222 0.000 -18.449) 18.582 8.173 ( -7.170 -0.000 -3.006) 7.775 8.342 ( -2.511 -0.000 6.745) 7.198 8.358 ( 9.133 0.000 7.055) 11.541 8.887 ( 0.732 0.000 3.847) 3.916 11.022 ( -1.378 -0.000 11.162) 11.246 11.452 ( 3.089 0.000 -3.859) 4.943 12.186 ( 11.129 0.000 -11.230) 15.810 12.322 ( -2.727 -0.000 -6.698) 7.232 13.288 ( -18.236 -0.000 -0.925) 18.260 13.607 ( 4.200 0.000 -14.044) 14.658 15.210 ( 9.134 0.000 5.976) 10.915 15.284 ( -3.828 -0.000 5.735) 6.895 17.313 ( -4.941 -0.000 14.905) 15.703 17.679 ( -9.625 -0.000 -4.889) 10.795 18.205 ( -4.078 -0.000 -17.379) 17.851 19.026 ( 4.629 0.000 -1.307) 4.809 21.254 ( 3.751 0.000 0.799) 3.835 21.367 ( -4.241 -0.000 10.764) 11.569 22.081 ( -0.032 -0.000 -1.553) 1.553 22.335 ( 4.681 0.000 -12.053) 12.930 ======================= Grid point 307 (149/300) ======================= q-point: (-0.45 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -2.952 -6.017 18.052) 19.256 1.531 ( -0.134 -1.445 12.764) 12.846 2.412 ( -5.368 4.132 0.131) 6.775 2.879 ( -12.886 -1.565 5.343) 14.037 3.283 ( -8.302 8.943 6.962) 14.049 3.542 ( 0.235 -7.404 0.061) 7.408 3.598 ( 7.658 -8.137 11.248) 15.855 4.024 ( 0.087 -7.616 6.843) 10.239 4.494 ( 8.072 2.826 24.652) 26.093 4.843 ( -8.496 -0.235 -9.666) 12.871 5.574 ( 3.972 -0.293 -1.628) 4.303 5.940 ( 0.471 1.042 10.297) 10.360 6.974 ( 2.699 5.781 2.492) 6.850 7.248 ( -1.407 8.818 -7.585) 11.716 7.476 ( -7.337 3.196 -11.010) 13.611 7.936 ( -2.364 -12.149 1.188) 12.434 8.048 ( -6.220 3.938 -5.441) 9.154 8.317 ( 2.641 -0.485 8.434) 8.851 8.465 ( 5.272 -1.345 8.151) 9.800 8.984 ( 3.311 -7.128 4.622) 9.118 11.065 ( 1.755 -1.678 10.246) 10.530 11.467 ( 3.500 0.209 -1.694) 3.894 12.098 ( 4.964 7.620 -10.191) 13.659 12.458 ( 3.376 -10.341 -8.707) 13.934 13.147 ( -16.599 -0.128 -2.088) 16.730 13.608 ( 3.789 0.304 -13.190) 13.727 15.070 ( 5.178 19.209 9.205) 21.921 15.277 ( -1.223 2.350 4.974) 5.636 17.263 ( -7.393 1.588 9.641) 12.253 17.756 ( -1.108 -10.035 -3.883) 10.817 18.089 ( -4.903 3.311 -14.856) 15.991 19.097 ( 3.239 -3.630 0.068) 4.865 21.190 ( -1.430 4.866 5.594) 7.551 21.445 ( -0.136 -5.560 4.754) 7.316 21.942 ( 3.439 12.684 -2.048) 13.300 22.421 ( -0.127 -6.529 -10.608) 12.457 ======================= Grid point 308 (150/300) ======================= q-point: (-0.36 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 3.932 -2.082 6.828) 8.149 1.675 ( -5.050 -9.931 12.119) 16.462 2.270 ( -11.832 3.435 1.097) 12.370 2.869 ( -2.133 -1.666 -7.290) 7.776 3.080 ( -11.040 3.935 10.707) 15.875 3.632 ( -7.757 -4.733 1.373) 9.190 3.846 ( 17.650 -4.965 0.626) 18.346 4.225 ( -0.523 -12.767 15.448) 20.047 4.526 ( 1.305 2.884 16.461) 16.763 4.838 ( -7.034 -7.081 5.791) 11.539 5.586 ( 3.810 2.131 -2.814) 5.194 5.954 ( 3.272 1.644 11.786) 12.341 6.768 ( -6.627 13.239 3.758) 15.274 7.180 ( 0.907 -1.436 -15.649) 15.741 7.344 ( 0.556 4.825 -10.104) 11.210 7.774 ( -8.916 10.726 -5.753) 15.087 8.088 ( -2.182 -0.699 0.703) 2.397 8.430 ( 13.041 3.461 3.318) 13.895 8.620 ( -2.168 -16.226 15.068) 22.249 9.191 ( 4.269 -10.293 6.772) 13.039 11.131 ( 3.929 -0.557 5.388) 6.692 11.509 ( 2.043 -2.795 2.845) 4.480 12.000 ( 4.981 4.789 -8.019) 10.586 12.624 ( 1.661 -5.657 -6.328) 8.649 13.073 ( -9.701 -4.932 -5.371) 12.136 13.592 ( 3.309 1.437 -10.433) 11.039 14.680 ( -0.997 25.726 14.245) 29.423 15.220 ( 0.542 4.143 2.814) 5.037 17.230 ( -8.595 -3.171 3.463) 9.794 17.774 ( 4.665 8.103 -12.963) 15.983 18.121 ( -3.601 -12.127 0.529) 12.661 19.163 ( 0.986 -0.689 2.109) 2.428 21.110 ( -6.423 2.993 5.612) 9.039 21.574 ( 3.253 -6.804 1.889) 7.775 21.711 ( 7.605 15.490 -0.710) 17.271 22.486 ( -4.068 -4.657 -9.837) 11.619 ======================= Grid point 309 (151/300) ======================= q-point: (-0.27 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 3.196 -4.757 -0.963) 5.812 1.819 ( -5.041 -6.895 5.637) 10.234 2.140 ( -11.420 0.493 0.778) 11.457 2.782 ( 6.883 9.216 -7.586) 13.779 3.117 ( -11.213 -12.880 3.918) 17.521 3.619 ( -9.517 -1.487 2.521) 9.956 4.035 ( 16.494 -2.023 0.152) 16.618 4.496 ( -3.352 0.186 1.434) 3.651 4.552 ( 3.322 -14.923 23.089) 27.692 4.984 ( -7.951 -10.631 16.030) 20.814 5.529 ( 4.389 6.613 -4.769) 9.259 5.982 ( 3.445 0.680 10.033) 10.630 6.456 ( -8.181 13.688 -0.933) 15.974 7.199 ( 0.035 -3.403 -8.894) 9.523 7.284 ( 6.955 2.916 -10.011) 12.533 7.484 ( -10.741 10.560 -5.257) 15.954 8.037 ( -4.397 3.626 2.088) 6.070 8.406 ( 11.719 8.256 0.294) 14.338 8.971 ( 1.815 -15.785 13.596) 20.912 9.436 ( 3.573 -10.646 9.080) 14.441 11.163 ( 3.556 0.516 1.034) 3.739 11.602 ( 0.142 -4.525 2.550) 5.196 11.965 ( 6.336 2.113 -2.820) 7.250 12.638 ( -2.669 1.628 -3.171) 4.453 13.157 ( -0.479 -7.756 -7.136) 10.550 13.576 ( 3.145 0.284 -6.514) 7.239 14.242 ( -7.832 20.242 17.670) 27.987 15.146 ( 2.081 5.283 -0.253) 5.683 17.256 ( -8.651 -6.118 -1.266) 10.671 17.640 ( 6.353 6.328 -8.362) 12.261 18.328 ( 1.125 -8.922 5.725) 10.660 19.149 ( 0.151 2.319 2.628) 3.509 20.942 ( -17.790 6.892 0.702) 19.092 21.504 ( 10.774 13.368 5.222) 17.946 21.787 ( 10.666 -9.056 -0.526) 14.002 22.492 ( -6.715 -2.792 -9.507) 11.970 ======================= Grid point 310 (152/300) ======================= q-point: (-0.18 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.432 -6.131 -5.142) 8.014 1.859 ( -7.973 -2.937 -0.479) 8.510 2.096 ( -1.483 -0.533 -1.142) 1.946 2.664 ( 9.901 8.675 -5.327) 14.201 3.301 ( -9.903 -13.200 -2.466) 16.685 3.597 ( -6.924 -4.031 3.775) 8.857 4.185 ( 10.499 -1.552 8.758) 13.760 4.469 ( -1.668 -0.780 -8.115) 8.321 4.861 ( 2.800 -7.886 19.059) 20.816 5.132 ( -5.968 -6.438 17.664) 19.725 5.422 ( 2.723 3.846 -6.428) 7.970 5.942 ( -5.845 7.957 0.047) 9.873 6.269 ( 4.620 0.555 5.454) 7.169 7.116 ( -4.770 14.259 -7.073) 16.617 7.291 ( -0.468 -6.552 -1.976) 6.860 7.363 ( 1.719 -3.709 -7.808) 8.813 7.897 ( -6.189 7.584 2.695) 10.153 8.330 ( 9.122 7.949 -2.263) 12.309 9.246 ( 3.757 -8.390 12.356) 15.401 9.645 ( 0.246 -7.304 9.200) 11.749 11.186 ( 2.119 -0.825 -0.008) 2.274 11.639 ( -1.190 0.154 -4.088) 4.261 12.016 ( 6.540 -1.950 3.774) 7.798 12.543 ( -2.191 5.908 -1.897) 6.581 13.248 ( 0.158 -2.633 -1.429) 3.000 13.598 ( 2.521 0.273 -3.187) 4.073 13.962 ( -8.926 4.829 14.943) 18.063 15.059 ( 2.623 5.497 -2.736) 6.677 17.302 ( -8.827 -6.586 -5.500) 12.310 17.643 ( 10.314 -1.222 -0.560) 10.401 18.448 ( 0.581 -0.512 10.831) 10.859 19.141 ( 3.211 -0.927 1.153) 3.535 20.620 ( -23.418 9.080 -3.541) 25.365 21.387 ( 12.602 11.245 7.866) 18.632 22.039 ( 10.495 -8.500 -1.375) 13.576 22.453 ( -7.536 -1.401 -8.644) 11.553 ======================= Grid point 311 (153/300) ======================= q-point: (-0.09 -0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -7.628 1.834 -2.265) 8.165 1.927 ( 2.740 -5.406 -8.288) 10.268 2.107 ( 2.247 -1.138 -4.598) 5.243 2.592 ( 12.067 7.337 -2.940) 14.425 3.356 ( -11.716 -2.833 -0.026) 12.054 3.734 ( -2.269 -12.235 -0.212) 12.446 4.202 ( 2.044 8.166 5.075) 9.830 4.527 ( 4.082 -7.198 -5.784) 10.096 4.869 ( -2.468 7.885 12.231) 14.760 5.238 ( 0.489 -2.862 16.308) 16.564 5.473 ( -1.876 -7.744 -2.365) 8.312 5.708 ( -4.147 9.095 -0.741) 10.023 6.451 ( 9.691 -10.076 4.259) 14.614 6.772 ( -7.220 15.396 -5.849) 17.983 7.418 ( -0.671 -7.600 -1.394) 7.756 7.480 ( 2.410 -7.423 -4.022) 8.780 7.689 ( -5.970 9.894 1.578) 11.663 8.256 ( 5.617 4.991 -3.785) 8.413 9.391 ( 3.207 -1.795 12.139) 12.683 9.713 ( -5.106 0.467 6.857) 8.562 11.230 ( 0.475 -2.752 0.826) 2.912 11.594 ( -0.110 1.984 -4.889) 5.277 12.125 ( 6.339 -2.827 3.570) 7.805 12.380 ( -3.320 8.866 -0.597) 9.486 13.262 ( -2.713 -0.269 4.752) 5.478 13.558 ( -1.587 2.760 3.821) 4.973 13.996 ( -1.886 -7.126 4.240) 8.503 14.989 ( 2.735 3.081 -3.340) 5.304 17.346 ( -8.253 -7.125 -7.234) 13.085 17.819 ( 11.591 -7.314 5.082) 14.618 18.394 ( -3.572 7.331 13.428) 15.710 19.243 ( 6.932 -4.680 -0.131) 8.365 20.298 ( -21.050 4.979 -4.748) 22.146 21.303 ( 12.283 10.061 8.181) 17.861 22.190 ( -0.989 -2.832 -6.956) 7.575 22.435 ( 0.774 -2.870 -3.476) 4.574 ======================= Grid point 318 (154/300) ======================= q-point: (-0.45 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -5.743 -0.000 18.713) 19.574 1.565 ( -0.806 -0.000 16.034) 16.054 2.412 ( -7.739 -0.000 -0.382) 7.748 2.761 ( -17.589 -0.000 9.901) 20.184 3.357 ( -4.265 -0.000 -1.416) 4.494 3.494 ( 0.873 0.000 12.170) 12.202 3.536 ( 1.349 0.000 15.969) 16.026 3.952 ( 0.592 0.000 2.889) 2.949 4.665 ( 8.273 0.000 21.027) 22.596 4.763 ( -4.645 -0.000 -10.629) 11.600 5.591 ( 2.853 0.000 -0.909) 2.995 5.988 ( 4.494 0.000 10.091) 11.046 7.058 ( 6.291 0.000 -4.750) 7.883 7.263 ( -15.731 -0.000 -12.699) 20.217 7.574 ( -1.921 -0.000 23.054) 23.134 7.651 ( -0.052 -0.000 -17.541) 17.542 8.028 ( -9.682 -0.000 -4.110) 10.518 8.334 ( -1.409 -0.000 3.781) 4.035 8.545 ( 11.701 0.000 4.660) 12.594 8.960 ( 5.640 0.000 5.275) 7.723 11.099 ( 4.467 0.000 12.701) 13.464 11.505 ( 5.567 0.000 -2.648) 6.164 12.237 ( -3.985 -0.000 -8.654) 9.528 12.299 ( 10.785 0.000 -13.859) 17.561 13.015 ( -16.412 -0.000 -1.066) 16.447 13.610 ( 4.111 0.000 -13.407) 14.023 15.271 ( -0.993 -0.000 5.658) 5.744 15.367 ( 7.689 0.000 7.228) 10.553 17.314 ( -3.817 -0.000 17.126) 17.547 17.554 ( -3.661 -0.000 -5.884) 6.930 18.083 ( -1.860 -0.000 -18.564) 18.657 19.080 ( 3.357 0.000 -1.577) 3.709 21.241 ( -5.289 -0.000 -0.022) 5.289 21.377 ( -0.829 -0.000 11.754) 11.783 22.112 ( 4.308 0.000 -0.231) 4.314 22.308 ( -0.875 -0.000 -14.073) 14.100 ======================= Grid point 319 (155/300) ======================= q-point: (-0.36 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -6.615 -6.242 15.252) 17.758 1.606 ( -0.071 -2.288 14.360) 14.542 2.264 ( -14.006 6.394 2.233) 15.558 2.705 ( -12.848 -5.314 4.967) 14.765 3.220 ( -2.599 10.323 5.615) 12.035 3.502 ( -4.468 -3.991 4.329) 7.391 3.789 ( 5.150 -13.662 17.032) 22.434 4.025 ( -0.134 -6.445 1.394) 6.595 4.648 ( -4.679 2.346 -0.435) 5.252 4.776 ( 6.040 1.876 16.821) 17.971 5.619 ( 2.895 -0.636 -1.495) 3.319 6.039 ( 6.525 1.868 9.756) 11.885 6.985 ( -8.223 13.864 2.704) 16.344 7.093 ( -2.493 -2.440 -14.807) 15.213 7.432 ( 2.640 5.615 -6.907) 9.285 7.840 ( -9.193 2.145 -5.285) 10.818 7.964 ( -3.264 -10.677 1.957) 11.335 8.359 ( -0.233 -5.806 7.231) 9.276 8.630 ( 11.567 2.174 3.519) 12.284 9.083 ( 6.110 -6.599 6.176) 10.909 11.180 ( 6.919 -0.779 11.163) 13.156 11.526 ( 4.680 1.348 -0.983) 4.969 12.101 ( 1.341 5.408 -9.578) 11.081 12.478 ( 4.417 -9.556 -10.745) 15.043 12.915 ( -11.581 -2.262 -2.377) 12.037 13.610 ( 3.848 0.434 -11.939) 12.551 15.160 ( 1.361 18.780 9.263) 20.984 15.313 ( 2.797 5.677 5.621) 8.464 17.206 ( -4.623 5.210 8.073) 10.662 17.769 ( 3.510 -16.201 0.622) 16.588 17.966 ( -2.571 5.328 -15.582) 16.667 19.137 ( 2.291 -3.123 -0.669) 3.931 21.134 ( -8.374 4.374 2.148) 9.689 21.476 ( 1.849 -6.454 7.787) 10.282 22.009 ( 5.258 11.364 -2.501) 12.769 22.340 ( -3.885 -5.241 -11.309) 13.056 ======================= Grid point 320 (156/300) ======================= q-point: (-0.27 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -6.893 -5.964 6.311) 11.087 1.732 ( 3.649 -5.383 11.312) 13.049 2.046 ( -17.540 2.749 2.832) 17.979 2.764 ( -9.920 -9.360 -1.548) 13.726 3.036 ( -0.390 8.823 5.769) 10.549 3.535 ( -5.064 -2.343 2.753) 6.222 4.075 ( 11.324 -5.259 1.054) 12.529 4.230 ( -5.392 -18.123 14.354) 23.739 4.568 ( -4.250 2.407 4.484) 6.631 4.850 ( 1.848 -2.574 21.176) 21.411 5.635 ( 4.670 1.837 -3.459) 6.095 6.055 ( 3.059 2.489 9.109) 9.926 6.647 ( -9.643 13.899 -2.133) 17.051 7.120 ( 0.732 -3.090 -6.667) 7.384 7.360 ( 4.436 3.536 -10.452) 11.892 7.598 ( -9.788 10.759 -7.778) 16.494 8.057 ( -2.371 0.107 1.084) 2.609 8.639 ( 12.259 6.491 0.740) 13.891 8.664 ( 1.257 -20.568 10.649) 23.195 9.298 ( 5.216 -9.723 8.063) 13.667 11.246 ( 7.793 2.480 5.638) 9.933 11.549 ( 1.748 -1.860 1.379) 2.901 12.037 ( 4.022 2.126 -6.029) 7.553 12.595 ( -2.495 -3.286 -3.673) 5.524 12.967 ( 0.037 -9.608 -8.186) 12.622 13.599 ( 3.152 1.189 -8.609) 9.244 14.692 ( -6.389 29.083 15.809) 33.713 15.261 ( 3.203 4.616 2.323) 6.080 17.144 ( -4.028 -0.451 2.564) 4.796 17.785 ( 2.954 7.408 -10.935) 13.535 18.131 ( 4.351 -15.443 3.943) 16.522 19.184 ( 1.104 -0.031 0.855) 1.396 20.950 ( -15.223 7.273 0.223) 16.872 21.666 ( 7.087 -7.999 5.587) 12.059 21.834 ( 6.776 10.227 -1.449) 12.353 22.357 ( -6.488 -3.476 -10.115) 12.510 ======================= Grid point 321 (157/300) ======================= q-point: (-0.18 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -7.046 -6.443 1.012) 9.601 1.792 ( -3.297 0.477 0.827) 3.433 2.011 ( -4.772 -6.875 4.773) 9.635 2.817 ( -1.928 0.635 -10.134) 10.336 2.988 ( -5.259 -7.586 6.048) 11.036 3.536 ( -2.196 -0.514 3.541) 4.199 4.216 ( 7.016 -3.702 0.540) 7.952 4.446 ( -3.793 -0.591 2.125) 4.388 4.649 ( -4.375 -15.888 19.736) 25.711 4.991 ( -0.260 -7.076 20.534) 21.720 5.585 ( 6.330 7.440 -8.133) 12.711 6.018 ( -3.512 4.397 5.880) 8.139 6.376 ( -1.983 7.794 1.017) 8.106 7.178 ( -2.828 -3.001 -3.654) 5.509 7.303 ( -5.076 11.073 -6.459) 13.787 7.330 ( 3.918 0.364 -10.489) 11.203 7.984 ( -3.637 5.207 2.022) 6.666 8.562 ( 8.752 9.600 -0.319) 12.995 9.077 ( 5.789 -16.907 7.584) 19.413 9.524 ( 2.378 -8.770 9.539) 13.174 11.240 ( 5.640 3.607 1.666) 6.899 11.607 ( 0.228 -2.284 -1.206) 2.593 12.050 ( 5.380 -0.258 -0.566) 5.415 12.582 ( -3.223 0.989 -1.034) 3.526 13.160 ( 5.144 -8.685 -7.905) 12.821 13.590 ( 2.157 -0.202 -5.140) 5.578 14.171 ( -12.342 21.483 19.789) 31.709 15.190 ( 3.721 6.106 -0.466) 7.166 17.153 ( -3.505 -3.027 -1.898) 5.005 17.708 ( 5.239 1.903 -2.914) 6.290 18.410 ( 6.203 -8.173 7.071) 12.461 19.176 ( 2.815 1.379 0.975) 3.283 20.629 ( -21.700 11.136 -3.329) 24.617 21.667 ( 5.816 9.052 5.739) 12.194 21.955 ( 11.213 -9.181 -0.615) 14.505 22.333 ( -7.787 -2.475 -9.308) 12.386 ======================= Grid point 322 (158/300) ======================= q-point: (-0.09 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -8.316 -4.254 0.156) 9.342 1.808 ( -1.087 -5.505 -5.549) 7.892 2.108 ( 2.878 -2.418 -0.087) 3.760 2.736 ( 0.489 3.700 -7.213) 8.121 3.167 ( -4.057 -11.776 -1.421) 12.536 3.563 ( 0.527 -3.461 3.890) 5.233 4.309 ( -0.096 0.602 11.353) 11.370 4.409 ( -1.618 -2.222 -8.655) 9.081 4.915 ( -6.541 -9.707 19.466) 22.715 5.178 ( 1.591 -7.150 17.349) 18.832 5.440 ( 5.515 7.804 -13.030) 16.158 5.854 ( -4.809 9.336 4.218) 11.317 6.387 ( 6.046 -4.808 4.774) 9.081 6.943 ( -12.061 12.047 -8.274) 18.948 7.304 ( 2.542 -4.133 -1.628) 5.118 7.377 ( 3.586 -4.413 -6.064) 8.313 7.827 ( -4.287 8.789 2.048) 9.991 8.434 ( 5.716 9.570 -2.062) 11.337 9.372 ( 6.708 -7.973 7.519) 12.849 9.665 ( -2.856 -3.789 9.255) 10.400 11.229 ( 3.220 1.373 0.837) 3.599 11.612 ( 0.358 0.780 -4.830) 4.906 12.120 ( 4.878 -2.673 2.551) 6.119 12.497 ( -3.255 5.889 -1.265) 6.846 13.267 ( 2.479 -0.481 1.783) 3.091 13.605 ( 0.473 1.215 -3.400) 3.642 13.895 ( -8.319 1.309 14.907) 17.121 15.100 ( 3.910 6.169 -2.164) 7.617 17.182 ( -3.407 -3.800 -5.187) 7.277 17.787 ( 6.781 -4.893 4.351) 9.426 18.508 ( 0.524 3.121 11.040) 11.485 19.235 ( 9.551 -2.989 -0.665) 10.030 20.253 ( -21.747 8.944 -4.951) 24.030 21.566 ( 5.439 8.202 7.999) 12.682 22.120 ( -0.077 -1.985 -8.134) 8.373 22.350 ( 1.127 -6.138 -3.399) 7.106 ======================= Grid point 330 (159/300) ======================= q-point: (-0.36 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -7.004 -0.000 19.140) 20.381 1.580 ( -6.650 -0.000 13.211) 14.791 2.248 ( -14.044 -0.000 3.508) 14.475 2.555 ( -14.119 -0.000 8.775) 16.624 3.357 ( 6.132 0.000 -5.145) 8.004 3.447 ( -17.777 -0.000 27.179) 32.476 3.635 ( 2.879 0.000 12.505) 12.832 4.005 ( 5.577 0.000 0.300) 5.585 4.604 ( -4.153 -0.000 -11.232) 11.975 4.910 ( 5.573 0.000 23.338) 23.994 5.621 ( 1.816 0.000 -0.939) 2.044 6.159 ( 12.048 0.000 7.118) 13.994 6.941 ( -14.397 -0.000 -18.350) 23.324 7.155 ( 3.468 0.000 3.099) 4.651 7.578 ( 0.554 0.000 -16.524) 16.533 7.599 ( -6.488 -0.000 14.430) 15.822 7.865 ( -8.938 -0.000 -0.975) 8.991 8.336 ( 0.065 0.000 2.171) 2.172 8.743 ( 12.378 0.000 1.192) 12.435 9.087 ( 7.175 0.000 6.690) 9.810 11.256 ( 8.658 0.000 12.478) 15.188 11.590 ( 6.276 0.000 -1.105) 6.373 12.134 ( -4.037 -0.000 -9.448) 10.275 12.386 ( 7.704 0.000 -12.380) 14.581 12.810 ( -8.761 -0.000 -1.396) 8.872 13.620 ( 4.529 0.000 -11.776) 12.617 15.301 ( 1.830 0.000 4.849) 5.183 15.503 ( 5.982 0.000 6.906) 9.137 17.351 ( -1.873 -0.000 20.270) 20.357 17.518 ( 2.275 0.000 -5.925) 6.347 17.989 ( -0.012 -0.000 -17.133) 17.133 19.114 ( 2.081 0.000 -1.474) 2.550 21.113 ( -10.639 -0.000 -0.810) 10.670 21.445 ( 3.030 0.000 11.876) 12.257 22.181 ( -7.287 -0.000 -17.138) 18.622 22.191 ( 5.431 0.000 0.626) 5.467 ======================= Grid point 331 (160/300) ======================= q-point: (-0.27 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -9.182 -3.716 13.575) 16.805 1.625 ( -6.070 -8.246 13.828) 17.207 2.047 ( -15.140 8.573 5.374) 18.210 2.535 ( -12.459 -5.718 5.208) 14.664 3.211 ( -7.911 9.509 15.847) 20.103 3.470 ( 1.271 -3.271 1.620) 3.865 3.874 ( -2.332 -17.105 17.647) 24.686 4.078 ( 5.821 -2.747 -0.436) 6.452 4.545 ( -3.741 0.747 -8.620) 9.426 4.961 ( 3.838 3.059 25.399) 25.869 5.656 ( 3.260 -1.812 -1.655) 4.080 6.190 ( 7.402 6.506 5.699) 11.385 6.739 ( -15.125 6.494 -14.336) 21.828 7.119 ( 3.344 2.819 4.238) 6.090 7.439 ( 2.464 4.291 -9.675) 10.868 7.662 ( -9.003 4.054 -8.162) 12.810 7.935 ( -2.855 -12.713 4.853) 13.904 8.391 ( 1.191 -8.199 4.738) 9.544 8.819 ( 11.947 2.618 -0.507) 12.241 9.210 ( 6.395 -5.846 7.593) 11.521 11.360 ( 10.125 -0.135 10.386) 14.505 11.587 ( 3.482 3.661 -1.335) 5.225 12.070 ( 0.010 1.140 -7.707) 7.791 12.480 ( 0.191 -5.926 -5.916) 8.376 12.811 ( 1.088 -5.435 -5.457) 7.778 13.626 ( 4.525 0.710 -9.961) 10.964 15.195 ( -2.155 20.955 8.880) 22.860 15.393 ( 3.955 8.289 5.069) 10.490 17.203 ( -0.244 7.781 8.621) 11.616 17.816 ( -1.855 -12.139 -2.409) 12.515 17.933 ( 9.947 -2.506 -5.967) 11.867 19.162 ( 1.449 -3.000 -1.039) 3.490 20.967 ( -13.270 5.827 -0.808) 14.515 21.576 ( 6.148 -7.521 9.075) 13.294 22.001 ( -5.865 6.704 -11.898) 14.863 22.256 ( 0.079 -1.823 -4.338) 4.706 ======================= Grid point 332 (161/300) ======================= q-point: (-0.18 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -10.325 -6.087 5.860) 13.342 1.786 ( -18.144 -2.910 6.957) 19.649 1.839 ( 3.561 -2.920 9.350) 10.422 2.573 ( -14.030 -8.860 -1.928) 16.705 3.047 ( -4.637 5.998 12.780) 14.860 3.539 ( 5.446 -1.136 0.476) 5.583 4.161 ( -0.239 -6.389 -0.251) 6.399 4.244 ( -1.661 -16.155 17.675) 24.003 4.496 ( -4.159 -0.681 -1.589) 4.504 5.004 ( 3.391 0.483 25.591) 25.819 5.700 ( 6.176 1.379 -4.951) 8.034 6.098 ( -2.246 5.955 6.536) 9.123 6.475 ( -9.242 7.166 -8.532) 14.476 7.127 ( -1.746 0.081 -0.703) 1.884 7.364 ( 2.578 3.452 -7.647) 8.777 7.455 ( -2.268 9.341 -7.932) 12.462 8.026 ( -2.304 0.569 1.023) 2.585 8.721 ( 2.543 -14.983 6.292) 16.448 8.826 ( 11.874 -0.009 -4.486) 12.693 9.408 ( 4.132 -8.430 8.897) 12.934 11.402 ( 9.019 6.342 4.543) 11.925 11.570 ( 1.195 -1.557 -0.687) 2.079 12.069 ( 2.631 -0.788 -3.509) 4.456 12.536 ( -3.363 -2.688 -0.370) 4.321 13.000 ( 8.890 -11.018 -9.251) 16.912 13.617 ( 3.677 1.615 -6.602) 7.727 14.614 ( -13.956 32.083 18.532) 39.592 15.328 ( 4.257 5.376 1.387) 6.996 17.140 ( 1.953 2.067 3.770) 4.722 17.765 ( -0.737 2.781 -5.163) 5.910 18.294 ( 14.040 -13.572 6.120) 20.464 19.209 ( 2.542 -0.705 -0.722) 2.735 20.680 ( -18.680 11.647 -3.487) 22.288 21.781 ( -1.399 0.007 -0.410) 1.458 21.872 ( 4.180 -6.280 -1.997) 7.804 22.252 ( -1.222 0.399 -4.686) 4.859 ======================= Grid point 333 (162/300) ======================= q-point: (-0.09 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -8.908 -6.489 2.349) 11.269 1.693 ( -8.727 -2.851 1.422) 9.291 2.038 ( 3.305 -7.811 5.095) 9.894 2.622 ( -14.528 -8.420 -9.265) 19.178 3.006 ( 0.549 -2.277 8.177) 8.506 3.597 ( 8.376 0.774 2.088) 8.667 4.251 ( -2.434 -5.045 0.666) 5.641 4.400 ( -3.366 0.626 2.630) 4.318 4.624 ( -7.863 -15.727 17.430) 24.758 5.123 ( 3.647 -4.712 22.032) 22.823 5.635 ( 5.650 8.620 -12.871) 16.489 5.983 ( -2.904 6.019 8.313) 10.666 6.362 ( -1.389 -1.028 -1.328) 2.179 6.990 ( -13.758 6.740 -9.182) 17.861 7.319 ( 2.752 2.999 -10.129) 10.916 7.364 ( 7.361 0.457 3.422) 8.130 7.943 ( -2.785 5.983 1.345) 6.736 8.666 ( 5.395 10.794 -1.120) 12.119 9.198 ( 7.633 -17.677 -0.933) 19.277 9.584 ( -0.198 -5.948 9.802) 11.467 11.339 ( 5.877 6.106 2.166) 8.747 11.608 ( 1.524 -0.737 -3.253) 3.667 12.110 ( 2.307 -1.917 -0.104) 3.002 12.531 ( -3.342 0.946 -0.870) 3.581 13.244 ( 9.879 -7.557 -6.059) 13.835 13.603 ( 2.336 0.527 -3.812) 4.502 14.040 ( -16.934 19.430 23.061) 34.585 15.247 ( 3.873 6.670 -0.719) 7.746 17.146 ( 3.559 0.497 -0.268) 3.604 17.758 ( 1.118 -2.427 2.758) 3.840 18.562 ( 7.595 -2.814 9.438) 12.437 19.266 ( 10.470 -2.144 -1.971) 10.867 20.278 ( -21.263 12.759 -5.666) 25.436 21.670 ( -8.538 2.610 -0.757) 8.960 22.097 ( 7.614 -3.582 -3.040) 8.947 22.240 ( 1.105 -3.998 -2.295) 4.740 ======================= Grid point 342 (163/300) ======================= q-point: (-0.27 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -8.286 -0.000 20.606) 22.209 1.461 ( -15.566 -0.000 10.758) 18.922 2.046 ( -14.055 -0.000 5.388) 15.052 2.402 ( -12.638 -0.000 9.651) 15.902 3.253 ( -23.524 -0.000 37.669) 44.411 3.483 ( 13.198 0.000 -7.155) 15.013 3.723 ( 2.238 0.000 10.423) 10.660 4.097 ( 5.186 0.000 0.989) 5.280 4.513 ( -1.466 -0.000 -11.918) 12.007 5.068 ( 1.425 0.000 25.614) 25.654 5.647 ( 2.778 0.000 -1.863) 3.344 6.366 ( 11.263 0.000 0.685) 11.284 6.629 ( -16.123 -0.000 -18.069) 24.216 7.224 ( 3.023 0.000 4.794) 5.667 7.473 ( -13.431 -0.000 -0.469) 13.440 7.532 ( 2.607 0.000 -15.428) 15.646 7.796 ( -3.218 -0.000 11.849) 12.278 8.355 ( 1.532 0.000 0.458) 1.599 8.922 ( 11.431 0.000 -2.730) 11.752 9.224 ( 6.570 0.000 7.712) 10.131 11.450 ( 9.936 0.000 9.242) 13.569 11.667 ( 3.587 0.000 -1.128) 3.760 12.051 ( -1.183 -0.000 -7.308) 7.404 12.411 ( 0.723 0.000 -3.933) 3.999 12.774 ( 6.156 0.000 -5.101) 7.994 13.650 ( 5.509 0.000 -9.780) 11.225 15.358 ( 2.871 0.000 3.477) 4.509 15.595 ( 2.611 0.000 3.059) 4.022 17.420 ( -2.001 -0.000 20.649) 20.746 17.572 ( 8.066 0.000 -5.115) 9.551 17.973 ( 7.593 0.000 -7.018) 10.340 19.129 ( 0.373 0.000 -0.830) 0.910 20.928 ( -12.603 -0.000 -1.499) 12.692 21.567 ( 6.149 0.000 11.338) 12.898 21.925 ( -16.118 -0.000 -21.646) 26.987 22.271 ( 4.486 0.000 0.873) 4.570 ======================= Grid point 343 (164/300) ======================= q-point: (-0.18 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -14.954 -1.803 11.899) 19.195 1.531 ( -14.209 -10.369 14.710) 22.930 1.900 ( -7.292 4.738 8.434) 12.114 2.353 ( -15.715 -3.568 5.990) 17.192 3.113 ( -15.116 4.606 31.103) 34.887 3.584 ( 12.941 -0.881 -5.196) 13.973 3.917 ( -0.470 -14.327 13.569) 19.738 4.147 ( 2.100 -1.934 1.701) 3.323 4.470 ( -1.169 0.759 -8.073) 8.192 5.105 ( 0.633 1.860 25.166) 25.243 5.711 ( 5.126 -3.466 -2.236) 6.579 6.274 ( 0.583 12.996 2.058) 13.171 6.443 ( -14.579 2.416 -15.985) 21.769 7.145 ( -4.643 4.373 0.258) 6.384 7.437 ( 3.774 1.872 -4.910) 6.470 7.546 ( -0.616 0.867 -8.801) 8.865 7.921 ( -2.087 -10.573 7.268) 12.999 8.434 ( 2.531 -10.150 0.784) 10.491 8.976 ( 9.949 2.926 -4.743) 11.404 9.333 ( 4.948 -4.950 8.346) 10.892 11.551 ( 8.340 -1.122 5.792) 10.215 11.613 ( 2.027 6.350 -2.109) 6.991 12.051 ( 1.182 -1.166 -4.041) 4.369 12.451 ( -1.134 -3.725 -0.053) 3.894 12.893 ( 12.141 -6.655 -6.839) 15.442 13.662 ( 5.396 1.105 -8.190) 9.869 15.155 ( -9.081 29.027 9.467) 31.854 15.463 ( 2.964 6.499 1.957) 7.406 17.272 ( 3.206 8.184 11.081) 14.143 17.751 ( -1.566 -2.511 -6.097) 6.778 18.190 ( 22.065 -12.903 8.345) 26.889 19.174 ( 1.070 -4.047 -1.291) 4.381 20.742 ( -14.880 8.973 -3.336) 17.694 21.707 ( -7.678 -2.629 -5.242) 9.661 21.745 ( -3.915 -5.466 -6.011) 9.018 22.290 ( 3.509 1.583 0.380) 3.869 ======================= Grid point 344 (165/300) ======================= q-point: (-0.09 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -13.019 -7.972 6.105) 16.442 1.551 ( -16.855 -3.779 10.135) 20.027 1.937 ( 3.464 -6.665 8.915) 11.657 2.325 ( -17.088 -7.078 -1.018) 18.524 3.026 ( -6.350 1.786 20.420) 21.459 3.685 ( 12.821 -0.364 -2.242) 13.021 4.137 ( -2.666 -5.018 2.171) 6.083 4.275 ( -3.298 -12.497 14.819) 19.664 4.450 ( -1.165 -1.035 -1.254) 2.000 5.149 ( 1.074 -0.754 23.674) 23.710 5.771 ( 5.869 3.516 -6.322) 9.315 6.062 ( -4.314 5.135 5.331) 8.567 6.301 ( -8.877 -0.300 -8.529) 12.314 6.983 ( -12.086 5.654 -8.385) 15.759 7.383 ( 2.849 5.202 -12.149) 13.520 7.509 ( 9.230 4.513 7.802) 12.901 7.997 ( -2.067 1.062 0.863) 2.479 8.782 ( 3.118 -15.269 0.646) 15.598 8.954 ( 8.756 -0.161 -9.970) 13.270 9.491 ( 1.515 -6.498 8.856) 11.088 11.503 ( 2.167 5.841 -1.834) 6.495 11.625 ( 6.714 0.899 2.264) 7.143 12.080 ( 0.289 -1.827 -1.666) 2.489 12.495 ( -2.189 -1.789 -0.408) 2.857 13.144 ( 14.189 -10.200 -6.961) 18.811 13.653 ( 4.296 2.323 -5.459) 7.325 14.431 ( -21.742 33.129 24.021) 46.338 15.391 ( 3.404 5.813 0.015) 6.737 17.239 ( 7.790 3.272 7.068) 11.016 17.731 ( -1.531 -0.104 -0.273) 1.558 18.578 ( 16.119 -6.818 10.908) 20.623 19.282 ( 10.146 -4.646 -3.352) 11.652 20.369 ( -18.768 14.886 -7.036) 24.967 21.550 ( -19.353 -1.791 -11.782) 22.728 22.005 ( 8.625 -11.358 2.313) 14.448 22.271 ( 3.274 3.120 0.185) 4.526 ======================= Grid point 354 (166/300) ======================= q-point: (-0.18 -0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -21.167 -0.000 10.999) 23.854 1.336 ( -11.497 -0.000 22.857) 25.586 1.898 ( -8.042 -0.000 5.345) 9.656 2.207 ( -20.944 -0.000 16.422) 26.615 3.135 ( -12.762 -0.000 39.179) 41.205 3.669 ( 13.860 0.000 -5.548) 14.929 3.799 ( 2.868 0.000 8.543) 9.011 4.152 ( 1.475 0.000 0.387) 1.525 4.458 ( 0.309 0.000 -7.555) 7.562 5.171 ( -2.256 -0.000 23.555) 23.663 5.696 ( 5.388 0.000 -3.735) 6.556 6.300 ( -16.679 -0.000 -18.090) 24.606 6.476 ( 3.981 0.000 -3.162) 5.084 7.225 ( -16.508 -0.000 -6.532) 17.753 7.281 ( 1.713 0.000 4.416) 4.737 7.527 ( 4.814 0.000 -12.236) 13.149 7.849 ( 1.054 0.000 18.686) 18.716 8.380 ( 2.132 0.000 -2.285) 3.125 9.056 ( 8.620 0.000 -6.706) 10.921 9.343 ( 4.333 0.000 7.852) 8.969 11.606 ( 5.968 0.000 3.498) 6.918 11.669 ( -1.339 -0.000 -4.624) 4.814 12.055 ( 3.852 0.000 -0.637) 3.904 12.418 ( 1.993 0.000 0.784) 2.141 12.921 ( 14.895 0.000 -4.880) 15.674 13.698 ( 5.832 0.000 -8.427) 10.248 15.408 ( 1.978 0.000 2.016) 2.825 15.570 ( -6.986 -0.000 -4.616) 8.373 17.421 ( -7.276 -0.000 12.727) 14.660 17.717 ( 13.353 0.000 -3.532) 13.812 18.269 ( 31.032 0.000 15.797) 34.821 19.114 ( -2.347 -0.000 0.504) 2.401 20.731 ( -11.658 -0.000 -2.660) 11.958 21.482 ( -29.185 -0.000 -25.040) 38.454 21.719 ( 7.223 0.000 9.635) 12.042 22.331 ( 2.891 0.000 0.815) 3.004 ======================= Grid point 355 (167/300) ======================= q-point: (-0.09 -0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -18.900 -3.568 12.549) 22.966 1.360 ( -16.097 -5.239 18.282) 24.915 1.880 ( -1.473 -2.852 7.697) 8.339 2.109 ( -20.575 -3.308 14.044) 25.130 3.077 ( -7.619 4.525 31.491) 32.713 3.770 ( 13.077 -0.463 -4.485) 13.833 3.980 ( 1.489 -12.395 11.628) 17.061 4.155 ( -1.099 -0.605 0.485) 1.345 4.451 ( 2.333 0.472 -2.473) 3.433 5.185 ( -3.906 0.295 20.700) 21.068 5.790 ( 6.409 -4.620 -3.519) 8.649 6.128 ( -12.934 2.228 -15.500) 20.310 6.280 ( -4.546 13.042 4.758) 14.608 6.975 ( -13.110 5.589 -7.846) 16.269 7.491 ( 4.544 5.185 -10.504) 12.565 7.570 ( 6.277 -11.395 -0.014) 13.010 7.948 ( 0.420 -4.556 12.362) 13.181 8.465 ( 2.104 -11.440 -3.600) 12.176 9.070 ( 5.886 3.520 -8.828) 11.179 9.423 ( 1.975 -3.932 8.009) 9.138 11.568 ( -1.190 3.731 -4.290) 5.809 11.700 ( 4.099 -1.385 1.132) 4.472 12.077 ( 3.075 1.021 1.202) 3.456 12.455 ( 0.862 -1.413 -0.543) 1.742 13.091 ( 16.236 -6.200 -4.053) 17.846 13.710 ( 5.017 1.387 -7.621) 9.229 14.984 ( -19.341 36.525 12.130) 43.073 15.496 ( 1.258 2.583 -1.249) 3.133 17.357 ( -0.353 2.102 12.742) 12.919 17.775 ( 8.707 3.716 -2.243) 9.729 18.651 ( 27.556 -4.099 16.783) 32.524 19.214 ( 8.776 -10.164 -2.158) 13.600 20.493 ( -14.787 13.589 -7.511) 21.441 21.263 ( -28.305 -6.583 -19.265) 34.866 21.879 ( 6.827 -8.659 6.461) 12.781 22.339 ( 2.421 1.451 0.714) 2.911 ======================= Grid point 366 (168/300) ======================= q-point: (-0.09 -0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -19.043 -0.000 15.901) 24.809 1.255 ( -11.379 -0.000 23.409) 26.028 1.845 ( -2.725 -0.000 6.052) 6.637 1.941 ( -24.686 -0.000 25.758) 35.677 3.179 ( -3.888 -0.000 31.978) 32.214 3.804 ( 2.768 0.000 7.584) 8.073 3.919 ( 11.032 0.000 -2.061) 11.223 4.146 ( -1.567 -0.000 -1.903) 2.465 4.489 ( 7.290 0.000 0.736) 7.327 5.182 ( -8.606 -0.000 17.381) 19.395 5.767 ( 4.834 0.000 -7.717) 9.106 5.991 ( -11.633 -0.000 -15.562) 19.430 6.491 ( -0.548 -0.000 4.080) 4.117 6.927 ( -17.819 -0.000 -9.166) 20.038 7.312 ( 1.572 0.000 -1.265) 2.017 7.574 ( 6.261 0.000 -5.053) 8.046 7.971 ( 3.013 0.000 21.091) 21.305 8.394 ( 1.514 0.000 -4.622) 4.864 9.115 ( 3.717 0.000 -10.546) 11.182 9.415 ( 0.588 0.000 7.053) 7.078 11.614 ( -1.969 -0.000 -5.990) 6.305 11.652 ( -0.495 -0.000 0.075) 0.501 12.136 ( 4.966 0.000 4.266) 6.547 12.451 ( 0.207 0.000 -1.717) 1.729 13.153 ( 16.583 0.000 -1.692) 16.669 13.742 ( 4.273 0.000 -8.389) 9.414 15.329 ( -20.256 -0.000 -5.824) 21.077 15.434 ( 0.610 0.000 1.102) 1.260 17.356 ( -6.986 -0.000 11.834) 13.743 17.939 ( 16.929 0.000 -1.410) 16.987 19.027 ( 55.062 0.000 18.971) 58.239 19.054 ( -6.711 -0.000 2.362) 7.114 20.568 ( -7.263 -0.000 -4.518) 8.554 20.834 ( -40.188 -0.000 -22.510) 46.062 21.855 ( 4.763 0.000 8.646) 9.871 22.365 ( 1.101 0.000 0.587) 1.248 ======================= Grid point 367 (169/300) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 4.691 0.000 16.008) 16.681 1.541 ( -7.419 -0.000 9.323) 11.915 2.071 ( 2.209 0.000 12.006) 12.208 2.172 ( -15.182 -0.000 15.151) 21.448 3.850 ( -9.650 -0.000 29.179) 30.733 3.937 ( 11.798 0.000 -3.971) 12.448 3.978 ( -7.196 -0.000 -5.411) 9.003 4.190 ( -1.900 -0.000 14.679) 14.801 4.720 ( 11.169 0.000 -0.263) 11.172 5.274 ( -13.650 -0.000 8.692) 16.182 5.279 ( -6.923 -0.000 -16.976) 18.333 5.806 ( 12.200 0.000 -8.763) 15.021 6.461 ( -12.505 -0.000 -5.081) 13.498 7.030 ( 7.572 0.000 27.598) 28.618 7.046 ( 4.159 0.000 -17.219) 17.715 7.777 ( 4.696 0.000 7.670) 8.993 8.257 ( 2.436 0.000 -6.128) 6.595 8.575 ( 0.337 0.000 21.475) 21.478 8.708 ( -4.222 -0.000 -20.438) 20.869 9.467 ( -5.043 -0.000 -1.591) 5.288 11.490 ( 1.404 0.000 -2.260) 2.661 11.584 ( -4.063 -0.000 -2.008) 4.532 12.342 ( 4.280 0.000 4.387) 6.129 12.369 ( -7.560 -0.000 1.413) 7.691 13.432 ( 17.687 0.000 1.561) 17.755 13.572 ( -2.899 -0.000 -6.442) 7.065 15.060 ( -13.611 -0.000 4.076) 14.209 15.421 ( 2.209 0.000 -3.086) 3.795 17.600 ( -5.469 -0.000 13.364) 14.440 18.185 ( 17.040 0.000 -2.974) 17.298 19.052 ( -8.330 -0.000 8.819) 12.131 19.764 ( -30.620 -0.000 -1.749) 30.670 20.086 ( 39.548 0.000 -10.064) 40.809 20.339 ( -1.514 -0.000 -7.829) 7.974 22.099 ( 0.917 0.000 7.422) 7.479 22.362 ( -1.301 -0.000 -1.050) 1.671 ======================= Grid point 368 (170/300) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 9.468 1.475 15.998) 18.648 1.547 ( -1.764 -3.859 9.076) 10.019 1.904 ( -10.168 7.938 13.202) 18.458 2.284 ( 0.643 -6.607 8.085) 10.461 3.681 ( -6.791 11.289 19.821) 23.800 3.850 ( -5.792 2.816 0.083) 6.441 4.119 ( 7.305 -6.232 -3.266) 10.142 4.367 ( -7.625 -14.107 16.344) 22.897 4.733 ( 7.796 4.931 -2.852) 9.655 5.207 ( -4.300 -2.643 2.061) 5.452 5.312 ( -10.642 -8.629 -5.351) 14.708 5.934 ( 11.783 -4.576 -8.265) 15.103 6.329 ( -9.280 3.265 -2.989) 10.281 6.683 ( 6.647 21.167 3.828) 22.514 7.413 ( 9.658 -8.238 4.319) 13.409 7.851 ( 2.603 -3.873 7.256) 8.627 8.183 ( 1.535 7.212 -8.487) 11.243 8.616 ( -6.016 1.240 -13.706) 15.020 8.692 ( -0.240 -7.596 16.191) 17.886 9.445 ( -7.126 -2.864 -2.249) 8.002 11.491 ( 1.864 0.016 -0.135) 1.869 11.573 ( -5.541 -2.572 -3.411) 6.996 12.217 ( -9.492 7.271 4.867) 12.910 12.401 ( 1.411 -0.754 2.003) 2.563 13.519 ( -2.734 0.972 -6.983) 7.562 13.596 ( 13.928 -3.175 0.021) 14.286 14.813 ( -10.842 15.365 10.405) 21.492 15.429 ( 2.211 1.531 -4.184) 4.974 17.633 ( -4.924 -4.662 12.228) 13.983 18.271 ( 15.740 3.107 -2.791) 16.285 18.893 ( -18.373 9.341 8.369) 22.246 19.531 ( -23.056 -2.200 -4.591) 23.612 20.222 ( 21.764 4.621 -5.961) 23.034 20.517 ( 18.055 -6.450 -9.472) 21.385 22.136 ( -1.327 -2.101 6.297) 6.770 22.353 ( -1.169 -0.704 -1.451) 1.992 ======================= Grid point 369 (171/300) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 1.163 7.844 16.981) 18.741 1.726 ( 8.819 -8.755 6.478) 14.013 1.817 ( -3.056 -1.987 7.141) 8.017 2.368 ( 3.505 0.725 -0.617) 3.632 3.505 ( -5.258 5.728 11.974) 14.277 3.763 ( -7.583 2.058 5.071) 9.352 4.239 ( 4.795 -1.268 -3.449) 6.041 4.551 ( -8.579 -8.412 9.132) 15.091 4.758 ( 5.434 -3.971 4.023) 7.841 5.264 ( -3.414 -5.146 5.607) 8.341 5.390 ( -10.188 -8.891 -3.027) 13.856 6.010 ( -0.541 2.179 -0.502) 2.300 6.233 ( 3.055 5.958 -5.497) 8.663 6.473 ( 12.865 4.343 -2.612) 13.827 7.489 ( 9.161 6.419 6.080) 12.732 7.864 ( -2.744 7.421 -4.307) 9.008 8.107 ( 3.528 -0.627 -1.042) 3.732 8.481 ( -6.708 4.815 -11.835) 14.431 8.937 ( -1.606 -15.152 15.080) 21.438 9.450 ( -7.601 -4.216 -1.016) 8.751 11.518 ( -0.285 -1.018 0.146) 1.067 11.581 ( -3.818 -4.028 -3.428) 6.523 11.995 ( -11.607 8.571 6.812) 15.956 12.413 ( 3.089 1.392 0.565) 3.434 13.450 ( -4.259 1.644 -7.281) 8.594 13.750 ( 9.385 -3.045 -2.471) 10.172 14.469 ( -7.308 15.813 17.411) 24.630 15.358 ( 1.571 6.585 -5.049) 8.446 17.724 ( -5.551 -5.840 8.581) 11.771 18.306 ( 14.720 5.499 0.921) 15.741 18.549 ( -21.808 9.570 4.182) 24.180 19.454 ( -8.276 -1.117 -3.254) 8.963 20.290 ( 6.361 -1.521 -5.099) 8.293 20.691 ( 20.178 0.933 -6.054) 21.087 22.166 ( -4.522 -2.026 3.012) 5.799 22.373 ( 1.919 -1.670 -1.579) 2.994 ======================= Grid point 370 (172/300) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.875 0.654 9.264) 9.328 1.850 ( 0.830 -2.591 -0.128) 2.724 2.030 ( 16.609 -9.015 5.667) 19.729 2.315 ( 1.827 5.574 -5.084) 7.762 3.450 ( -6.354 -1.598 4.731) 8.082 3.680 ( -5.700 2.168 7.423) 9.607 4.208 ( 0.792 4.963 -4.424) 6.696 4.653 ( -4.168 -6.781 6.787) 10.460 4.875 ( -2.396 -3.962 0.574) 4.666 5.359 ( 0.561 -4.592 5.904) 7.501 5.464 ( -8.236 -6.451 6.659) 12.401 5.914 ( -4.509 5.260 4.534) 8.280 6.132 ( 7.821 3.584 -7.131) 11.175 6.658 ( 15.151 -7.767 -6.256) 18.139 7.405 ( 4.821 9.068 5.989) 11.889 7.663 ( -3.524 7.120 -9.286) 12.221 8.098 ( 1.107 6.106 5.714) 8.435 8.303 ( -5.105 6.231 -10.049) 12.879 9.244 ( -4.355 -16.335 8.790) 19.054 9.491 ( -4.428 -5.336 4.551) 8.294 11.508 ( -5.168 -0.965 -1.435) 5.450 11.626 ( -0.534 0.882 -2.093) 2.333 11.821 ( -7.543 0.188 8.212) 11.152 12.405 ( 4.736 2.675 -0.341) 5.450 13.366 ( -4.218 2.311 -6.093) 7.763 13.795 ( -1.106 1.716 -2.997) 3.627 14.262 ( -0.134 6.721 17.833) 19.058 15.202 ( 0.493 9.495 -4.880) 10.688 17.723 ( -9.551 2.758 -1.925) 10.126 18.281 ( 0.972 3.368 12.671) 13.147 18.352 ( -2.571 2.126 1.496) 3.656 19.392 ( -2.571 2.606 -5.035) 6.225 20.323 ( -2.329 -0.590 -4.245) 4.878 20.826 ( 18.913 -1.891 0.352) 19.011 22.144 ( -7.982 -0.502 -1.103) 8.074 22.430 ( 5.212 -1.507 -1.459) 5.618 ======================= Grid point 371 (173/300) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.139 -7.017 -0.408) 7.031 1.883 ( 3.500 0.509 -3.581) 5.033 2.157 ( 4.545 7.860 -8.870) 12.693 2.365 ( 13.213 -8.716 6.256) 17.021 3.408 ( -13.713 -0.479 0.206) 13.723 3.699 ( 2.055 -5.139 4.097) 6.886 4.086 ( 0.747 7.357 -4.762) 8.795 4.745 ( -4.028 -4.249 4.744) 7.536 4.851 ( -5.770 1.410 -3.328) 6.809 5.450 ( 4.224 -2.307 1.370) 5.005 5.536 ( -1.900 -2.811 18.409) 18.719 5.813 ( -3.361 2.395 3.016) 5.111 6.204 ( 2.318 -6.231 -4.309) 7.922 6.835 ( 12.843 0.596 -2.588) 13.115 7.315 ( -2.332 0.659 0.107) 2.425 7.537 ( -0.893 3.408 -6.841) 7.694 7.928 ( -2.986 11.541 4.535) 12.754 8.163 ( -0.043 4.318 -5.797) 7.229 9.455 ( -6.247 -9.806 1.516) 11.725 9.627 ( -0.403 -8.760 13.290) 15.922 11.447 ( -8.098 3.488 1.559) 8.954 11.544 ( 1.601 2.827 -2.144) 3.892 11.924 ( -1.435 -9.601 4.859) 10.856 12.386 ( 4.703 3.294 -0.035) 5.742 13.286 ( -2.670 1.824 -4.661) 5.673 13.699 ( -6.775 3.393 1.050) 7.649 14.252 ( 2.385 1.073 12.112) 12.391 15.025 ( 0.891 8.344 -4.100) 9.340 17.501 ( -11.040 9.053 -7.607) 16.178 18.302 ( 13.164 7.985 6.144) 16.577 18.351 ( -11.166 -8.875 13.232) 19.455 19.311 ( -1.199 2.771 -6.312) 6.997 20.259 ( -3.843 3.564 -1.541) 5.463 21.066 ( 16.444 -8.497 4.227) 18.986 22.063 ( -10.712 0.856 -4.538) 11.665 22.484 ( 6.070 0.255 -1.826) 6.344 ======================= Grid point 372 (174/300) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.672 -8.939 -5.589) 10.564 1.862 ( 3.486 3.821 -5.970) 7.899 2.023 ( 1.955 5.838 -6.928) 9.268 2.600 ( 9.510 -4.478 3.102) 10.960 3.308 ( -9.038 0.583 0.327) 9.062 3.823 ( -0.897 -1.178 -2.861) 3.222 3.973 ( 3.430 0.204 -6.115) 7.015 4.685 ( -1.533 6.549 -2.994) 7.362 4.857 ( -5.282 -6.071 5.077) 9.515 5.513 ( 4.503 0.051 4.316) 6.238 5.619 ( -0.422 -2.040 15.263) 15.405 5.783 ( -1.125 0.081 6.573) 6.669 6.300 ( -6.431 -6.313 -6.573) 11.154 6.855 ( 9.835 5.374 6.243) 12.829 7.321 ( -1.839 -1.533 -7.806) 8.165 7.487 ( -3.594 -2.027 -3.374) 5.330 7.696 ( -1.973 10.986 1.475) 11.259 8.140 ( 3.111 -1.420 -2.623) 4.310 9.563 ( -2.751 -5.524 2.484) 6.652 9.797 ( -1.551 -6.402 13.247) 14.794 11.319 ( -3.941 4.229 0.935) 5.856 11.531 ( 2.424 0.864 -1.505) 2.981 12.111 ( -0.678 -10.037 2.107) 10.278 12.351 ( 1.824 3.399 1.373) 4.094 13.251 ( 1.022 0.213 -3.854) 3.992 13.607 ( -5.624 1.536 1.135) 5.939 14.259 ( -0.936 2.063 11.770) 11.986 14.924 ( 2.827 2.592 -3.851) 5.434 17.254 ( -7.470 7.414 -7.004) 12.642 18.244 ( 9.532 8.590 6.472) 14.371 18.483 ( -8.086 -9.368 12.903) 17.878 19.259 ( -0.045 0.730 -6.488) 6.529 20.148 ( -3.747 4.983 1.289) 6.366 21.377 ( 14.059 -10.849 5.824) 18.689 21.935 ( -13.205 1.616 -7.599) 15.321 22.498 ( 5.619 2.649 -2.196) 6.589 ======================= Grid point 373 (175/300) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.976 -3.076 -4.772) 5.761 1.782 ( 0.523 3.919 -3.946) 5.586 1.981 ( 4.672 -0.518 -8.337) 9.571 2.644 ( -4.973 2.193 0.723) 5.483 3.268 ( 3.816 2.585 -0.753) 4.670 3.717 ( 1.536 5.680 -0.145) 5.886 4.105 ( -0.203 -9.238 -7.872) 12.139 4.553 ( -5.461 4.489 3.665) 7.963 4.971 ( 2.401 -7.221 -3.600) 8.419 5.476 ( -2.323 8.771 8.884) 12.699 5.626 ( 1.163 2.142 11.571) 11.825 5.875 ( 1.603 -7.195 10.569) 12.885 6.328 ( -10.198 -6.232 -10.103) 15.649 6.800 ( 1.937 8.118 6.784) 10.755 7.272 ( 3.267 4.886 -6.717) 8.925 7.505 ( -1.792 0.721 1.308) 2.333 7.618 ( -0.400 -6.735 -1.593) 6.932 8.230 ( 2.493 -6.403 -3.572) 7.744 9.605 ( -0.832 0.873 1.793) 2.161 9.881 ( -2.689 -1.294 11.566) 11.945 11.265 ( 0.513 -0.141 1.418) 1.514 11.528 ( 3.235 1.465 -2.192) 4.173 12.258 ( 2.248 -1.733 0.187) 2.845 12.307 ( -5.681 -2.796 0.968) 6.405 13.272 ( 5.971 -0.127 -3.779) 7.068 13.558 ( -2.029 0.793 -0.711) 2.292 14.229 ( -5.426 0.760 15.986) 16.899 14.954 ( 3.866 -3.557 -4.734) 7.072 17.115 ( -0.621 2.500 -3.600) 4.427 18.164 ( 6.923 8.513 8.158) 13.673 18.620 ( -7.172 -9.008 10.755) 15.755 19.253 ( 3.069 -0.340 -7.207) 7.840 20.035 ( -4.371 4.215 2.736) 6.660 21.647 ( 0.984 -4.914 6.594) 8.282 21.806 ( -5.396 -2.920 -10.620) 12.265 22.463 ( 4.795 4.798 -1.977) 7.065 ======================= Grid point 374 (176/300) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -3.162 2.944 -1.004) 4.435 1.734 ( -2.609 0.917 2.503) 3.730 2.050 ( 6.360 -3.400 -10.141) 12.444 2.474 ( -14.162 7.072 -1.674) 15.918 3.244 ( 5.369 3.118 4.881) 7.897 3.718 ( 9.168 -0.228 2.213) 9.434 4.203 ( -3.332 -3.343 -5.333) 7.121 4.464 ( -8.279 0.300 6.172) 10.331 5.116 ( 5.661 -2.443 -13.008) 14.395 5.268 ( -3.753 7.186 15.349) 17.359 5.627 ( 0.201 1.764 13.266) 13.384 6.057 ( 3.284 -6.831 6.964) 10.293 6.322 ( -8.719 -2.639 -11.067) 14.334 6.633 ( -8.482 6.032 1.176) 10.475 7.181 ( 3.236 6.013 -4.816) 8.356 7.551 ( 7.345 -2.962 5.163) 9.454 7.773 ( -2.171 -9.373 -1.228) 9.699 8.391 ( 1.734 -10.197 -5.849) 11.882 9.499 ( -0.136 10.861 0.327) 10.867 9.855 ( -4.241 3.147 8.186) 9.742 11.343 ( 4.694 -4.703 3.283) 7.411 11.522 ( 3.259 0.543 -3.382) 4.728 12.199 ( -1.613 4.335 1.372) 4.824 12.377 ( -5.540 -5.662 -3.199) 8.543 13.304 ( 11.324 3.369 -4.837) 12.766 13.543 ( 1.034 0.142 -1.215) 1.601 14.258 ( -10.024 -6.697 20.655) 23.916 15.070 ( 3.361 -6.720 -5.962) 9.592 17.150 ( 8.128 -3.487 1.174) 8.922 18.070 ( 3.039 7.985 9.633) 12.876 18.754 ( -5.499 -8.366 9.835) 14.034 19.280 ( 8.661 0.420 -9.776) 13.067 19.947 ( -6.042 1.530 2.782) 6.825 21.514 ( -19.029 3.766 -5.730) 20.226 21.990 ( 9.408 -8.163 -0.816) 12.482 22.391 ( 3.678 6.000 -0.822) 7.085 ======================= Grid point 375 (177/300) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -7.275 4.489 4.830) 9.818 1.701 ( -6.042 0.582 7.271) 9.472 2.137 ( 7.050 -2.283 -5.511) 9.235 2.223 ( -15.342 5.901 -0.796) 16.457 3.295 ( 2.060 -3.781 11.819) 12.579 3.817 ( 13.526 0.507 1.802) 13.655 4.153 ( -8.170 2.017 -0.461) 8.428 4.448 ( -2.556 -1.433 3.655) 4.685 4.933 ( -5.176 13.170 11.660) 18.335 5.380 ( 7.020 -5.142 -9.424) 12.827 5.643 ( -2.964 -2.908 15.663) 16.204 6.121 ( 3.851 4.857 -3.943) 7.346 6.241 ( -7.510 1.377 -2.332) 7.984 6.535 ( -13.782 -4.907 -5.178) 15.519 7.120 ( 4.047 0.911 -3.851) 5.660 7.716 ( 10.535 -5.265 6.247) 13.332 7.896 ( -2.941 -6.105 -0.796) 6.823 8.584 ( 0.959 -10.466 -8.740) 13.670 9.215 ( -0.385 19.055 1.474) 19.116 9.757 ( -4.265 5.056 4.800) 8.173 11.427 ( 4.157 0.690 -1.096) 4.355 11.609 ( 4.433 -7.002 0.554) 8.305 12.112 ( -1.759 3.164 0.330) 3.635 12.404 ( -5.251 -2.860 -3.408) 6.882 13.298 ( 15.507 6.841 -4.188) 17.459 13.561 ( 1.708 -0.950 -1.246) 2.318 14.420 ( -13.388 -15.355 21.570) 29.670 15.212 ( 2.631 -7.518 -6.790) 10.466 17.358 ( 15.519 -7.796 5.425) 18.194 17.957 ( -1.124 7.344 10.465) 12.834 18.885 ( -4.265 -7.463 10.103) 13.265 19.329 ( 17.441 1.983 -12.755) 21.698 19.904 ( -8.940 -2.558 1.512) 9.420 21.262 ( -21.053 5.438 -8.040) 23.182 22.164 ( 7.409 -2.929 -0.590) 7.989 22.310 ( 2.098 4.157 1.005) 4.764 ======================= Grid point 376 (178/300) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -9.864 3.882 11.935) 15.963 1.647 ( -8.563 1.188 10.529) 13.623 2.039 ( -10.606 2.799 4.696) 11.932 2.235 ( 2.882 -3.540 0.650) 4.611 3.453 ( -1.010 -9.210 15.879) 18.384 3.875 ( 10.001 4.322 4.201) 11.677 4.070 ( -4.752 -0.162 -2.377) 5.316 4.486 ( 4.005 -1.229 2.636) 4.950 4.675 ( -4.492 14.146 16.709) 22.349 5.389 ( -3.326 1.696 -5.440) 6.598 5.692 ( -5.755 1.513 0.183) 5.953 6.001 ( 3.434 10.740 -3.445) 11.790 6.228 ( -1.390 -9.613 3.106) 10.198 6.534 ( -14.383 -7.519 -7.643) 17.939 7.206 ( 7.348 -4.683 -3.128) 9.258 7.848 ( 7.122 3.553 5.870) 9.890 7.995 ( 0.110 -9.124 -1.438) 9.237 8.724 ( -0.713 -6.614 -12.539) 14.194 8.853 ( -0.642 18.983 8.043) 20.627 9.638 ( -3.346 5.239 1.964) 6.519 11.435 ( 3.014 0.133 -2.552) 3.951 11.718 ( -0.394 -0.741 -1.560) 1.771 12.112 ( 3.022 -3.345 2.874) 5.346 12.403 ( -3.339 -1.630 -2.170) 4.303 13.290 ( 17.546 6.528 -1.604) 18.790 13.587 ( 0.707 -1.061 -2.533) 2.836 14.691 ( -14.995 -20.366 17.230) 30.602 15.345 ( 2.240 -6.042 -6.844) 9.400 17.639 ( 14.030 -5.108 9.441) 17.665 17.855 ( 0.817 3.040 7.932) 8.534 18.996 ( -5.615 -5.997 8.596) 11.891 19.441 ( 30.470 2.047 -10.196) 32.196 19.908 ( -13.953 -7.095 -1.576) 15.732 20.955 ( -21.056 8.756 -9.183) 24.584 22.162 ( 3.516 5.530 2.896) 7.165 22.327 ( 2.258 -2.124 -0.241) 3.109 ======================= Grid point 377 (179/300) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -4.467 2.387 15.613) 16.414 1.588 ( -8.817 0.515 11.484) 14.487 1.987 ( -6.668 -3.099 9.653) 12.134 2.275 ( -4.792 0.882 9.019) 10.251 3.674 ( -3.780 -12.166 19.931) 23.655 3.872 ( 5.367 1.334 3.282) 6.431 4.051 ( 0.232 1.225 -5.163) 5.311 4.376 ( -3.338 15.674 17.139) 23.464 4.603 ( 8.139 -2.695 2.534) 8.941 5.312 ( -8.504 -0.280 -3.327) 9.136 5.510 ( -11.479 8.177 -6.016) 15.324 5.822 ( 7.285 8.331 -7.990) 13.650 6.508 ( -5.246 -7.795 -5.833) 11.059 6.593 ( -4.248 -18.028 9.095) 20.634 7.277 ( 7.915 6.328 -4.296) 11.007 7.773 ( 3.512 6.370 8.094) 10.882 8.175 ( 2.947 -7.548 -4.179) 9.117 8.605 ( -0.276 9.081 17.469) 19.691 8.762 ( -2.167 -1.867 -16.970) 17.210 9.533 ( -3.419 3.373 -0.210) 4.807 11.463 ( 2.039 -1.491 -2.357) 3.455 11.656 ( -3.326 3.338 -2.925) 5.546 12.242 ( 3.797 -5.044 4.639) 7.835 12.405 ( -2.355 -0.755 -0.489) 2.521 13.328 ( 18.211 3.814 0.569) 18.615 13.594 ( -1.110 -0.636 -4.448) 4.629 14.970 ( -14.718 -17.453 8.905) 24.505 15.418 ( 1.773 -1.348 -5.616) 6.042 17.653 ( -4.748 4.014 13.731) 15.072 18.010 ( 17.876 -4.733 0.608) 18.502 19.052 ( -6.636 -3.605 6.050) 9.676 19.691 ( 42.740 0.697 0.054) 42.746 19.930 ( -24.912 -11.965 -8.795) 29.002 20.587 ( -15.252 12.943 -9.070) 21.964 22.104 ( 2.182 3.529 6.010) 7.303 22.364 ( 0.445 -0.670 -0.777) 1.118 ======================= Grid point 379 (180/300) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -2.744 -0.000 7.356) 7.851 1.556 ( 20.261 0.000 12.604) 23.862 2.020 ( -13.263 -0.000 15.618) 20.490 2.175 ( 4.163 0.000 13.003) 13.653 3.817 ( -11.559 -0.000 10.793) 15.814 3.853 ( -4.632 -0.000 10.102) 11.113 4.027 ( -0.330 -0.000 1.351) 1.390 4.205 ( -3.038 -0.000 11.070) 11.479 4.833 ( 2.648 0.000 -2.113) 3.387 5.141 ( -7.101 -0.000 5.456) 8.955 5.162 ( 0.064 0.000 -11.478) 11.478 5.988 ( 16.750 0.000 -9.216) 19.118 6.283 ( -9.510 -0.000 1.675) 9.656 7.063 ( 8.206 0.000 -17.691) 19.501 7.277 ( 8.396 0.000 28.672) 29.876 7.867 ( 3.243 0.000 5.177) 6.109 8.262 ( 1.971 0.000 -6.972) 7.245 8.525 ( -7.565 -0.000 -20.954) 22.278 8.665 ( -1.083 -0.000 21.822) 21.849 9.351 ( -8.587 -0.000 -3.217) 9.170 11.496 ( -6.206 -0.000 -2.026) 6.529 11.500 ( 0.150 0.000 -0.764) 0.779 12.221 ( -12.571 -0.000 4.505) 13.354 12.394 ( 0.530 0.000 3.188) 3.232 13.481 ( -3.887 -0.000 -9.819) 10.560 13.674 ( 12.441 0.000 1.030) 12.484 14.919 ( -7.388 -0.000 5.938) 9.478 15.444 ( 1.868 0.000 -1.338) 2.298 17.580 ( -4.294 -0.000 11.480) 12.257 18.381 ( 10.384 0.000 -8.225) 13.247 18.913 ( -15.131 -0.000 13.792) 20.474 19.226 ( -32.222 -0.000 -4.534) 32.540 20.386 ( 11.981 0.000 -7.557) 14.165 20.679 ( 38.039 0.000 -11.132) 39.634 22.122 ( -1.995 -0.000 7.834) 8.084 22.319 ( -3.425 -0.000 -1.825) 3.881 ======================= Grid point 380 (181/300) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.408 -1.319 9.785) 9.974 1.748 ( 17.540 4.336 10.420) 20.857 1.821 ( -3.477 3.032 13.364) 14.138 2.346 ( 2.901 -6.065 6.299) 9.213 3.611 ( -10.123 9.216 5.722) 14.838 3.795 ( -3.622 4.101 11.031) 12.313 4.158 ( -2.691 -9.171 1.475) 9.671 4.297 ( -8.986 -9.591 13.788) 19.049 4.808 ( 3.403 1.683 0.158) 3.800 5.103 ( -11.471 -2.951 2.875) 12.188 5.239 ( 4.415 -5.809 -7.432) 10.415 6.076 ( 7.256 2.837 -1.916) 8.023 6.256 ( 3.511 -2.984 -2.723) 5.352 6.809 ( 9.464 19.341 -2.182) 21.642 7.590 ( 9.021 -7.193 9.037) 14.655 7.916 ( 2.336 -2.167 5.532) 6.384 8.136 ( -2.054 8.109 -12.967) 15.431 8.454 ( -6.274 -0.129 -12.383) 13.882 8.759 ( -2.107 -6.792 20.204) 21.419 9.308 ( -9.022 -3.514 -2.918) 10.113 11.460 ( -7.426 -1.677 -3.314) 8.303 11.506 ( -0.489 -1.590 1.238) 2.073 12.066 ( -11.640 6.677 5.371) 14.454 12.423 ( -0.071 -1.710 1.618) 2.355 13.425 ( -3.120 0.742 -10.510) 10.989 13.766 ( 6.676 -1.398 -1.138) 6.915 14.747 ( -3.355 13.770 10.555) 17.671 15.442 ( 1.002 2.167 -2.046) 3.145 17.612 ( -4.078 -4.013 9.511) 11.099 18.412 ( 2.246 -0.036 -8.485) 8.777 18.620 ( -17.312 13.859 6.171) 23.019 19.198 ( -19.636 -13.006 2.439) 23.679 20.427 ( 16.701 5.168 -6.578) 18.679 20.893 ( 27.384 2.643 -9.828) 29.214 22.124 ( -3.713 -0.333 6.406) 7.412 22.320 ( -1.851 -3.286 -2.286) 4.410 ======================= Grid point 381 (182/300) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.751 10.988 16.195) 19.585 1.775 ( 0.683 -6.649 3.494) 7.542 2.045 ( 22.219 -5.509 7.382) 24.053 2.402 ( 2.335 2.423 -3.149) 4.609 3.420 ( -9.889 3.980 3.130) 11.110 3.715 ( -4.286 3.790 11.855) 13.163 4.237 ( -3.113 -1.417 -2.181) 4.057 4.436 ( -11.165 -10.452 12.703) 19.881 4.839 ( 3.969 0.130 -4.826) 6.249 5.148 ( -13.849 -12.386 14.477) 23.554 5.358 ( 4.935 -4.267 -3.971) 7.637 6.004 ( -1.766 5.670 7.764) 9.775 6.340 ( 14.245 5.897 -10.991) 18.934 6.652 ( 11.363 1.447 -1.574) 11.562 7.648 ( 7.813 6.473 4.977) 11.301 7.773 ( -4.843 12.864 -10.945) 17.571 8.141 ( 1.539 -4.479 0.458) 4.758 8.339 ( -6.258 4.924 -6.650) 10.374 8.961 ( -4.090 -12.857 15.514) 20.560 9.341 ( -6.473 -6.923 1.269) 9.562 11.423 ( -8.269 -1.794 -3.851) 9.296 11.567 ( -0.574 -4.541 2.825) 5.379 11.864 ( -8.347 7.164 5.151) 12.146 12.454 ( 2.035 -0.655 0.118) 2.141 13.362 ( -2.072 1.584 -9.739) 10.083 13.791 ( -2.367 0.476 -4.277) 4.912 14.497 ( 1.401 13.712 16.105) 21.197 15.352 ( -0.228 7.147 -2.866) 7.704 17.668 ( -4.980 -2.490 2.902) 6.279 18.242 ( -20.527 5.569 3.467) 21.550 18.458 ( 5.122 1.844 -2.031) 5.810 19.289 ( -11.483 -7.913 1.397) 14.016 20.428 ( 16.283 6.789 -5.608) 18.511 20.976 ( 17.416 3.414 -3.717) 18.133 22.090 ( -6.963 0.751 2.796) 7.540 22.398 ( 2.539 -4.752 -2.743) 6.046 ======================= Grid point 382 (183/300) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.650 3.174 8.823) 9.744 1.900 ( 5.515 -2.791 0.097) 6.182 2.294 ( -1.179 3.263 -1.364) 3.728 2.359 ( 23.357 -3.346 -1.373) 23.635 3.308 ( -12.039 0.515 0.979) 12.090 3.665 ( -3.282 0.110 9.853) 10.386 4.183 ( -1.894 3.683 -3.450) 5.391 4.562 ( -9.223 -8.907 9.881) 16.188 4.811 ( -5.016 -0.032 -7.974) 9.420 5.373 ( -6.398 -13.399 20.021) 24.926 5.455 ( 4.200 -3.091 0.735) 5.266 5.897 ( -1.220 6.437 8.766) 10.944 6.268 ( 13.539 7.080 -9.023) 17.743 6.828 ( 9.814 -7.350 -4.527) 13.070 7.448 ( -2.728 13.159 -5.246) 14.427 7.603 ( 2.924 4.806 -4.102) 6.962 8.105 ( -3.803 9.112 4.768) 10.965 8.211 ( -1.588 2.431 -5.841) 6.523 9.198 ( -5.227 -13.187 7.208) 15.912 9.475 ( -2.752 -9.760 10.258) 14.425 11.386 ( -9.075 -1.759 -1.178) 9.319 11.609 ( -0.020 2.294 -2.985) 3.765 11.782 ( -3.116 -4.318 8.858) 10.335 12.473 ( 4.454 1.452 -0.988) 4.787 13.297 ( -0.522 2.010 -7.927) 8.195 13.696 ( -9.128 3.119 -2.962) 10.090 14.367 ( 3.408 6.646 15.241) 16.973 15.185 ( -0.498 9.211 -2.896) 9.668 17.567 ( -7.656 7.327 -7.579) 13.028 18.127 ( -15.912 -6.154 9.271) 19.417 18.469 ( 4.473 1.345 2.878) 5.486 19.298 ( -6.428 -0.776 -2.297) 6.870 20.398 ( 13.689 7.913 -3.037) 16.100 21.079 ( 13.528 -3.019 2.596) 14.102 22.002 ( -10.028 2.006 -1.074) 10.283 22.493 ( 4.261 -3.025 -3.338) 6.201 ======================= Grid point 383 (184/300) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.806 -4.251 0.046) 6.417 1.948 ( 6.823 2.412 -4.140) 8.337 2.150 ( -0.115 7.406 -6.027) 9.549 2.606 ( 13.180 -3.681 0.860) 13.711 3.232 ( -7.836 -1.766 2.536) 8.424 3.715 ( -1.826 -5.597 2.805) 6.522 4.074 ( -0.107 6.089 -5.059) 7.917 4.651 ( -7.280 -4.014 -0.182) 8.315 4.762 ( -5.185 -2.158 0.969) 5.699 5.528 ( 1.994 -2.382 4.894) 5.797 5.578 ( -3.218 -7.031 18.242) 19.813 5.818 ( 2.094 3.380 7.719) 8.683 6.247 ( 5.404 3.208 -6.537) 9.068 6.962 ( 5.256 -1.580 -3.824) 6.689 7.259 ( -3.676 2.320 -4.576) 6.312 7.534 ( 4.414 5.029 -3.718) 7.655 7.879 ( -4.510 11.288 1.321) 12.228 8.156 ( 0.484 1.844 -1.822) 2.637 9.392 ( -3.415 -10.366 3.820) 11.563 9.670 ( -2.031 -9.448 14.672) 17.568 11.332 ( -7.458 0.872 1.064) 7.583 11.559 ( 2.315 1.422 -4.846) 5.555 11.929 ( -1.593 -9.270 7.868) 12.263 12.454 ( 4.308 4.163 -1.063) 6.084 13.260 ( 2.363 0.742 -5.987) 6.479 13.574 ( -9.367 1.262 0.073) 9.452 14.330 ( 0.617 3.334 12.204) 12.666 15.023 ( 0.686 7.042 -3.001) 7.685 17.333 ( -6.089 8.644 -8.509) 13.572 18.178 ( -15.391 -8.920 4.852) 18.439 18.489 ( 5.324 2.091 10.272) 11.757 19.239 ( -4.121 1.019 -4.411) 6.122 20.330 ( 12.430 9.848 0.409) 15.864 21.304 ( 12.179 -9.074 5.938) 16.308 21.862 ( -12.923 2.984 -4.827) 14.114 22.549 ( 3.849 -0.395 -3.896) 5.491 ======================= Grid point 384 (185/300) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.432 -6.054 -5.233) 9.672 1.885 ( 2.757 6.623 -6.976) 10.007 2.038 ( 3.998 4.382 -5.065) 7.800 2.641 ( -6.262 2.103 0.480) 6.623 3.306 ( 9.044 -3.718 1.958) 9.972 3.803 ( 0.225 -1.604 -2.275) 2.793 3.973 ( 0.124 0.572 -6.212) 6.239 4.551 ( -12.183 3.195 -3.312) 13.023 4.869 ( 2.928 -7.101 4.180) 8.745 5.568 ( -2.385 0.343 7.660) 8.031 5.672 ( -0.794 -0.796 13.381) 13.428 5.848 ( 5.431 -1.327 10.518) 11.911 6.171 ( -6.217 1.486 -8.133) 10.344 6.963 ( 0.900 4.583 2.225) 5.173 7.285 ( 1.105 -6.396 -5.768) 8.683 7.467 ( 3.900 4.578 -1.341) 6.161 7.666 ( -2.307 7.643 -0.975) 8.043 8.157 ( 0.358 -2.056 -2.302) 3.107 9.539 ( -1.949 -6.533 3.402) 7.619 9.827 ( -2.363 -5.560 13.707) 14.979 11.269 ( -2.911 0.954 0.525) 3.108 11.563 ( 2.747 -0.052 -3.053) 4.108 12.095 ( -2.822 -8.629 4.172) 9.991 12.382 ( 1.745 5.681 -0.076) 5.944 13.287 ( 5.690 -1.447 -4.317) 7.288 13.521 ( -5.824 -1.465 1.110) 6.107 14.282 ( -3.003 3.974 12.110) 13.095 14.945 ( 1.747 1.385 -4.103) 4.670 17.166 ( -0.279 4.479 -5.183) 6.856 18.212 ( -13.559 -5.621 1.286) 14.734 18.519 ( 2.828 0.701 14.440) 14.731 19.207 ( -2.500 -1.648 -5.086) 5.902 20.234 ( 12.674 11.084 2.977) 17.098 21.565 ( 0.654 -6.341 7.712) 10.006 21.705 ( -6.008 -0.704 -8.791) 10.672 22.549 ( 2.719 2.074 -4.215) 5.428 ======================= Grid point 385 (186/300) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.131 0.671 -5.039) 5.970 1.776 ( 1.720 4.005 -4.324) 6.140 2.027 ( 5.755 -0.632 -7.303) 9.319 2.485 ( -14.287 5.702 0.346) 15.386 3.397 ( 11.058 4.700 -0.687) 12.035 3.793 ( 8.608 0.966 0.645) 8.686 4.054 ( -2.288 -7.886 -6.324) 10.364 4.401 ( -13.902 1.067 3.276) 14.323 5.045 ( 7.435 -7.348 -4.740) 11.477 5.455 ( -5.524 10.300 11.421) 16.341 5.676 ( -1.490 1.515 10.479) 10.692 5.987 ( 4.932 -5.761 13.483) 15.470 6.123 ( -8.388 -4.995 -12.856) 16.143 6.792 ( -5.204 12.010 1.732) 13.203 7.339 ( 7.725 6.950 -3.125) 10.850 7.492 ( 0.447 -7.098 -0.324) 7.119 7.627 ( 0.985 -4.549 0.983) 4.757 8.225 ( -0.649 -6.534 -4.824) 8.147 9.597 ( -1.171 0.174 2.081) 2.394 9.876 ( -4.214 0.724 9.864) 10.751 11.287 ( 1.364 -3.809 1.931) 4.483 11.571 ( 3.201 1.264 -2.087) 4.025 12.196 ( -7.587 -4.661 0.856) 8.946 12.294 ( 1.331 3.667 -0.547) 3.940 13.369 ( 7.460 -2.423 -2.579) 8.256 13.532 ( -0.519 -1.793 -0.271) 1.886 14.207 ( -6.381 2.609 15.438) 16.907 14.975 ( 1.602 -4.041 -5.843) 7.283 17.163 ( 8.163 -1.827 -0.149) 8.366 18.179 ( -8.905 0.450 3.714) 9.659 18.575 ( -4.259 -4.341 12.361) 13.776 19.238 ( -0.165 -3.980 -6.595) 7.705 20.137 ( 14.163 11.215 4.333) 18.578 21.418 ( -20.746 3.854 -4.864) 21.655 21.904 ( 10.401 -9.262 1.308) 13.988 22.499 ( 1.354 4.014 -3.949) 5.791 ======================= Grid point 386 (187/300) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -2.805 5.761 -1.522) 6.586 1.739 ( 2.826 3.167 2.104) 4.738 2.100 ( 5.072 -3.502 -10.712) 12.359 2.246 ( -13.960 7.067 1.414) 15.711 3.353 ( 5.710 4.834 5.671) 9.388 3.907 ( 13.071 -2.283 0.116) 13.270 4.090 ( -9.707 -0.746 -1.129) 9.800 4.374 ( -3.527 -4.840 3.416) 6.894 5.135 ( 0.289 7.515 -2.356) 7.881 5.323 ( 3.654 -3.100 7.769) 9.128 5.635 ( -5.915 2.029 9.638) 11.489 6.095 ( -10.666 -5.761 0.220) 12.124 6.200 ( 9.770 -3.501 -6.568) 12.282 6.506 ( -9.434 11.362 1.132) 14.811 7.227 ( 4.347 7.663 -1.456) 8.929 7.647 ( 2.273 -8.046 0.020) 8.361 7.773 ( 2.585 -7.262 3.290) 8.381 8.367 ( -0.954 -10.491 -7.582) 12.979 9.502 ( 0.378 10.744 0.937) 10.792 9.797 ( -7.337 3.713 5.858) 10.096 11.425 ( 3.927 -6.635 3.559) 8.492 11.564 ( 3.376 0.752 -2.115) 4.054 12.136 ( -7.772 2.387 1.707) 8.308 12.299 ( -1.738 -2.758 -3.802) 5.008 13.455 ( 7.567 -0.669 -2.151) 7.895 13.562 ( 4.383 0.096 -2.474) 5.034 14.193 ( -9.980 -4.414 20.572) 23.287 15.078 ( 1.476 -7.079 -7.192) 10.199 17.350 ( 16.203 -7.323 4.479) 18.337 18.082 ( -6.429 4.898 7.482) 11.014 18.664 ( -10.696 -8.709 9.283) 16.626 19.314 ( 2.525 -5.188 -10.402) 11.895 20.064 ( 17.021 10.416 5.141) 20.607 21.165 ( -22.617 4.143 -6.555) 23.910 22.126 ( 8.305 -6.635 0.776) 10.659 22.410 ( -0.214 5.074 -2.750) 5.776 ======================= Grid point 387 (188/300) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -8.348 5.889 5.861) 11.778 1.693 ( 1.422 4.769 6.926) 8.528 2.013 ( -11.698 3.827 1.029) 12.351 2.221 ( 6.595 -3.108 -4.914) 8.792 3.374 ( 1.548 -2.087 12.318) 12.589 3.985 ( -12.301 1.812 3.169) 12.832 4.040 ( 12.972 -1.162 -1.910) 13.163 4.471 ( 4.393 -3.626 1.187) 5.818 4.922 ( -3.897 12.393 13.466) 18.711 5.415 ( 1.564 2.511 -6.940) 7.544 5.629 ( -5.819 -5.452 10.202) 12.948 6.096 ( -8.706 -2.378 -2.597) 9.391 6.189 ( 4.341 6.473 -4.355) 8.928 6.350 ( -4.427 0.098 -5.654) 7.182 7.190 ( 5.576 -1.042 1.864) 5.971 7.811 ( -1.409 -9.314 -3.321) 9.988 7.916 ( 6.326 -3.274 5.963) 9.289 8.531 ( -2.275 -9.877 -10.590) 14.659 9.224 ( -0.034 18.867 3.985) 19.283 9.683 ( -7.243 3.557 2.513) 8.451 11.488 ( 4.014 2.153 -0.019) 4.555 11.654 ( 1.205 -5.668 -0.777) 5.847 12.061 ( -6.830 -1.136 3.473) 7.746 12.329 ( -1.374 -2.868 -3.449) 4.692 13.496 ( 7.361 1.527 -2.393) 7.889 13.579 ( 6.137 1.686 -3.244) 7.144 14.315 ( -12.590 -12.860 22.283) 28.643 15.216 ( 2.067 -7.924 -7.506) 11.109 17.662 ( 19.941 -8.571 7.444) 22.946 17.948 ( -5.389 5.912 9.097) 12.114 18.763 ( -15.304 -10.434 7.462) 19.969 19.425 ( 4.056 -7.303 -14.853) 17.041 20.037 ( 20.789 9.433 6.045) 23.616 20.900 ( -21.287 4.824 -7.769) 23.169 22.262 ( 5.546 -0.148 -0.163) 5.551 22.315 ( -1.312 1.829 -0.511) 2.308 ======================= Grid point 388 (189/300) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -4.456 -0.076 15.325) 15.960 1.619 ( -0.404 5.254 9.691) 11.031 1.900 ( -9.656 0.448 5.965) 11.359 2.304 ( 4.682 -0.714 0.523) 4.765 3.496 ( -2.519 -7.852 16.471) 18.420 3.881 ( -8.950 0.822 3.654) 9.702 4.126 ( 11.093 1.478 -4.035) 11.896 4.567 ( 3.971 -1.431 1.007) 4.340 4.687 ( -2.656 12.256 15.350) 19.821 5.306 ( -4.207 4.571 -2.019) 6.532 5.570 ( -10.468 7.370 -0.219) 12.804 6.015 ( 1.333 6.819 -5.283) 8.728 6.284 ( 0.542 -14.020 5.224) 14.972 6.332 ( -0.927 -3.655 -9.929) 10.621 7.330 ( 8.856 -5.258 2.838) 10.683 7.902 ( -1.318 -0.260 1.503) 2.016 8.040 ( 5.658 -5.741 -1.620) 8.221 8.626 ( -4.533 -5.736 -13.672) 15.504 8.890 ( -0.347 17.136 11.915) 20.874 9.564 ( -6.518 3.898 -0.318) 7.602 11.481 ( 3.408 1.269 -0.086) 3.638 11.667 ( -3.991 1.743 -3.990) 5.906 12.117 ( -6.384 -7.861 6.097) 11.821 12.372 ( 1.312 -2.135 -1.229) 2.792 13.513 ( 5.335 0.966 -2.710) 6.061 13.581 ( 7.463 2.800 -3.257) 8.611 14.551 ( -13.048 -17.901 18.225) 28.685 15.352 ( 2.477 -6.050 -6.640) 9.318 17.755 ( -3.719 6.844 12.350) 14.602 18.036 ( 17.903 -7.549 3.293) 19.707 18.840 ( -18.086 -10.058 6.405) 21.663 19.567 ( -2.247 -9.003 -14.148) 16.919 20.063 ( 24.666 7.063 4.608) 26.068 20.646 ( -11.269 6.303 -9.520) 16.043 22.195 ( -0.815 4.453 2.918) 5.386 22.352 ( 1.618 -1.088 -0.975) 2.180 ======================= Grid point 391 (190/300) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.057 0.000 7.762) 7.834 1.873 ( -5.099 -0.000 15.424) 16.245 2.012 ( 23.794 0.000 5.234) 24.363 2.300 ( 4.975 0.000 11.212) 12.266 3.646 ( -10.690 -0.000 -5.687) 12.109 3.889 ( -2.329 -0.000 26.436) 26.539 3.950 ( -10.286 -0.000 5.322) 11.581 4.187 ( -5.897 -0.000 9.644) 11.304 4.799 ( -7.057 -0.000 10.151) 12.363 5.076 ( -2.363 -0.000 -9.693) 9.977 5.175 ( 6.360 0.000 -7.335) 9.708 6.191 ( -5.607 -0.000 8.182) 9.919 6.224 ( 19.107 0.000 -9.224) 21.217 7.138 ( 11.390 0.000 -17.793) 21.127 7.519 ( 7.137 0.000 27.255) 28.174 7.901 ( -1.075 -0.000 -2.244) 2.488 8.253 ( 0.569 0.000 -6.888) 6.911 8.329 ( -6.331 -0.000 -14.553) 15.870 8.725 ( -3.449 -0.000 21.511) 21.786 9.191 ( -10.077 -0.000 -3.694) 10.733 11.381 ( -7.899 -0.000 -0.680) 7.928 11.479 ( -2.537 -0.000 -0.394) 2.567 12.062 ( -10.116 -0.000 4.589) 11.108 12.389 ( -2.065 -0.000 0.335) 2.092 13.388 ( -1.627 -0.000 -12.227) 12.335 13.786 ( 1.720 0.000 -1.624) 2.366 14.897 ( 1.011 0.000 7.087) 7.159 15.460 ( 0.180 0.000 0.647) 0.672 17.567 ( -3.285 -0.000 8.973) 9.555 18.359 ( -9.656 -0.000 -8.527) 12.882 18.772 ( -25.305 -0.000 -3.108) 25.495 18.803 ( -3.523 -0.000 8.543) 9.240 20.610 ( 19.234 0.000 -3.049) 19.475 21.112 ( 25.783 0.000 -12.692) 28.737 22.118 ( -2.305 -0.000 7.304) 7.659 22.244 ( -5.031 -0.000 -2.681) 5.701 ======================= Grid point 392 (191/300) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.287 -4.713 9.688) 11.264 1.741 ( -6.690 8.473 13.673) 17.421 2.208 ( 27.926 0.396 5.935) 28.553 2.419 ( 5.025 -2.924 1.551) 6.017 3.450 ( -11.351 7.382 -2.197) 13.718 3.809 ( -3.188 5.872 15.019) 16.438 4.064 ( -10.547 -10.055 6.807) 16.083 4.238 ( -6.782 -7.041 15.800) 18.580 4.844 ( -3.121 -7.295 13.774) 15.896 4.950 ( -6.051 4.811 -10.009) 12.646 5.293 ( 6.016 -5.819 -5.746) 10.152 6.116 ( -1.662 5.042 9.715) 11.071 6.411 ( 16.805 -4.991 -9.163) 19.781 6.945 ( 10.356 17.944 -5.494) 21.434 7.718 ( 1.559 -1.205 0.917) 2.173 7.962 ( 0.880 -8.904 2.329) 9.245 8.036 ( -1.095 11.649 -8.314) 14.354 8.341 ( -3.757 -0.181 -4.899) 6.177 8.794 ( -4.790 -5.923 19.641) 21.067 9.161 ( -8.499 -5.640 -1.750) 10.349 11.326 ( -8.383 -0.699 -1.165) 8.492 11.487 ( -2.736 -3.279 1.902) 4.675 11.941 ( -6.693 5.972 2.479) 9.306 12.411 ( -1.529 -3.574 -1.081) 4.034 13.349 ( -0.135 0.611 -12.291) 12.307 13.765 ( -5.236 0.663 -4.037) 6.645 14.807 ( 4.712 12.407 10.780) 17.098 15.438 ( -1.031 2.926 0.141) 3.105 17.591 ( -3.239 -2.876 6.170) 7.539 18.197 ( -19.575 5.112 -3.472) 20.527 18.492 ( -7.817 4.004 -3.249) 9.364 18.997 ( -7.279 -13.596 2.642) 15.647 20.700 ( 20.638 5.857 -1.802) 21.529 21.187 ( 16.756 6.175 -8.819) 19.916 22.080 ( -5.340 2.395 4.820) 7.582 22.287 ( -0.528 -6.981 -3.127) 7.668 ======================= Grid point 393 (192/300) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.024 9.499 13.616) 16.602 1.835 ( 4.116 -8.612 5.730) 11.133 2.348 ( 3.168 3.025 2.395) 4.993 2.521 ( 26.065 -0.456 -5.006) 26.546 3.256 ( -11.868 3.665 -0.827) 12.448 3.702 ( -5.816 4.971 14.584) 16.469 4.128 ( -10.234 -4.986 -0.688) 11.405 4.374 ( -4.267 -7.872 17.089) 19.293 4.788 ( -4.902 4.231 -11.836) 13.491 5.089 ( -4.390 -15.816 21.034) 26.681 5.420 ( 4.281 -4.356 -2.176) 6.484 6.031 ( -0.385 5.890 12.023) 13.394 6.533 ( 17.142 7.250 -13.116) 22.769 6.793 ( 7.491 0.863 -0.222) 7.543 7.583 ( -9.098 8.426 -17.849) 21.733 7.794 ( 6.395 11.309 2.032) 13.150 8.168 ( 1.272 -4.876 2.867) 5.798 8.238 ( -4.668 6.246 -1.482) 7.937 8.952 ( -4.862 -11.221 13.604) 18.293 9.269 ( -5.098 -10.866 5.578) 13.236 11.278 ( -8.410 -1.537 -1.584) 8.694 11.563 ( -1.787 -5.403 4.107) 7.019 11.793 ( -2.811 5.257 0.996) 6.044 12.475 ( 1.332 -3.422 -2.247) 4.305 13.311 ( 1.244 1.239 -10.931) 11.071 13.662 ( -10.771 2.403 -5.665) 12.405 14.625 ( 5.528 13.481 14.741) 20.727 15.328 ( -1.771 7.342 -0.732) 7.588 17.601 ( -3.608 1.566 -3.496) 5.262 17.955 ( -19.060 1.483 2.586) 19.292 18.448 ( -4.698 -2.998 -0.630) 5.608 19.163 ( -5.083 -8.313 0.011) 9.744 20.708 ( 21.427 9.906 -1.733) 23.670 21.173 ( 10.340 3.242 -1.123) 10.895 21.982 ( -8.667 3.343 2.201) 9.547 22.421 ( 2.398 -6.565 -4.750) 8.450 ======================= Grid point 394 (193/300) ======================= q-point: ( 0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.256 2.882 7.096) 8.762 2.005 ( 7.058 -3.463 2.391) 8.217 2.239 ( -3.204 6.027 -4.646) 8.257 2.713 ( 20.211 2.065 -5.123) 20.953 3.150 ( -6.120 -1.735 3.128) 7.089 3.636 ( -6.405 -0.709 9.973) 11.874 4.103 ( -7.489 -0.195 -1.646) 7.670 4.524 ( -0.591 -6.499 7.376) 9.848 4.680 ( -6.661 0.081 -4.084) 7.814 5.382 ( -4.058 -13.256 18.753) 23.320 5.506 ( 0.832 -2.924 2.732) 4.087 5.953 ( 2.003 5.746 13.302) 14.628 6.434 ( 12.729 10.259 -9.737) 19.029 6.914 ( 4.295 -4.975 -3.425) 7.412 7.305 ( -7.672 8.088 -14.773) 18.507 7.684 ( 5.750 6.904 -1.115) 9.054 8.048 ( -3.525 9.972 1.821) 10.733 8.193 ( -0.354 1.985 0.203) 2.026 9.171 ( -2.475 -12.291 8.474) 15.133 9.478 ( -3.415 -12.309 11.968) 17.504 11.251 ( -7.678 -2.266 -0.162) 8.007 11.600 ( 1.016 1.748 -5.009) 5.402 11.791 ( -1.018 -6.018 9.438) 11.240 12.526 ( 3.595 -0.040 -3.172) 4.794 13.283 ( 3.292 0.906 -8.612) 9.265 13.518 ( -11.804 1.829 -4.072) 12.620 14.478 ( 2.287 9.226 14.901) 17.674 15.163 ( -1.121 8.452 -1.449) 8.648 17.439 ( -3.800 8.879 -10.037) 13.929 17.901 ( -17.610 -7.678 3.728) 19.569 18.497 ( -2.081 -4.115 5.524) 7.195 19.211 ( -3.580 -1.032 -1.743) 4.114 20.665 ( 20.905 11.806 -0.579) 24.015 21.265 ( 8.961 -4.879 5.172) 11.439 21.833 ( -11.450 4.639 -1.293) 12.421 22.523 ( 1.974 -3.709 -5.717) 7.095 ======================= Grid point 395 (194/300) ======================= q-point: ( 0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 6.694 -3.077 -0.481) 7.383 2.028 ( 5.185 7.180 -7.395) 11.538 2.130 ( 0.858 2.177 0.151) 2.345 2.655 ( -6.230 5.972 -3.501) 9.313 3.297 ( 14.383 -6.913 4.530) 16.588 3.679 ( -4.078 -6.603 2.589) 8.181 4.025 ( -4.275 3.001 -2.645) 5.855 4.512 ( -6.794 3.023 -12.296) 14.370 4.759 ( 1.022 -7.746 12.067) 14.376 5.530 ( -3.688 -2.692 5.526) 7.168 5.602 ( -3.705 -7.321 16.338) 18.283 5.930 ( 5.031 2.483 13.998) 15.080 6.282 ( 2.874 11.652 -8.672) 14.806 6.979 ( 0.837 -1.302 -5.842) 6.044 7.185 ( -1.828 -2.105 -6.583) 7.150 7.600 ( 2.047 5.287 -1.037) 5.764 7.841 ( 1.753 11.667 -0.538) 11.810 8.146 ( -1.483 1.469 -0.393) 2.124 9.383 ( -1.214 -9.920 7.536) 12.517 9.694 ( -2.444 -10.101 12.841) 16.520 11.237 ( -5.260 -1.421 0.635) 5.486 11.570 ( 2.382 0.663 -7.205) 7.617 11.947 ( -0.931 -7.869 10.251) 12.956 12.500 ( 2.845 4.748 -2.841) 6.222 13.300 ( 6.017 -0.576 -6.753) 9.063 13.431 ( -8.852 -2.133 -0.588) 9.125 14.374 ( -2.107 5.892 13.306) 14.703 15.015 ( -0.142 6.161 -2.854) 6.791 17.254 ( 0.418 6.492 -7.361) 9.824 17.928 ( -18.153 -9.228 -0.791) 20.379 18.572 ( 0.216 -2.135 11.091) 11.297 19.173 ( -2.506 0.985 -1.845) 3.264 20.593 ( 20.182 12.937 1.656) 24.029 21.464 ( 0.529 -6.611 7.525) 10.030 21.658 ( -6.422 2.389 -4.943) 8.449 22.561 ( 0.574 -0.884 -6.279) 6.367 ======================= Grid point 396 (195/300) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.790 -4.303 -5.579) 9.785 1.884 ( 2.043 7.424 -8.809) 11.700 2.105 ( 6.358 4.010 -1.080) 7.594 2.470 ( -14.204 4.912 0.232) 15.031 3.524 ( 14.913 -2.370 1.091) 15.140 3.821 ( 3.749 -8.322 -0.667) 9.151 3.938 ( -1.062 2.125 -4.778) 5.336 4.338 ( -12.163 4.399 -5.869) 14.203 4.942 ( 3.397 -7.731 4.542) 9.588 5.528 ( -6.266 0.784 8.985) 10.982 5.711 ( -1.723 -2.489 12.610) 12.968 5.973 ( -2.513 2.114 11.579) 12.035 6.072 ( 3.733 4.386 -7.202) 9.222 6.925 ( -3.808 6.050 -3.645) 8.024 7.299 ( 3.055 -9.202 -3.023) 10.156 7.552 ( 0.642 -0.435 2.961) 3.061 7.647 ( 5.416 11.990 -3.212) 13.543 8.129 ( -2.445 -1.792 -3.108) 4.342 9.534 ( -1.728 -5.732 7.168) 9.339 9.843 ( -2.173 -4.491 9.732) 10.936 11.239 ( -1.386 -2.067 0.862) 2.634 11.579 ( 1.353 -1.107 -5.214) 5.499 12.075 ( -2.455 -4.780 6.400) 8.357 12.401 ( 1.148 6.452 -1.404) 6.702 13.352 ( 2.683 -2.512 -3.304) 4.942 13.467 ( 0.196 -4.761 0.079) 4.765 14.275 ( -4.805 5.158 12.658) 14.489 14.936 ( -0.232 1.064 -4.880) 5.000 17.208 ( 7.891 0.342 -2.142) 8.183 17.957 ( -18.029 -9.203 -2.957) 20.457 18.607 ( 0.237 1.695 14.228) 14.330 19.161 ( -1.175 -2.072 -2.074) 3.159 20.509 ( 20.171 13.231 3.256) 24.342 21.332 ( -20.927 5.029 -2.978) 21.727 21.815 ( 10.738 -9.410 2.780) 14.546 22.540 ( -0.930 1.476 -6.428) 6.661 ======================= Grid point 397 (196/300) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 1.252 5.223 -5.542) 7.717 1.817 ( 6.840 0.611 -7.890) 10.461 2.095 ( 6.431 1.577 -2.559) 7.099 2.258 ( -15.098 5.830 1.306) 16.237 3.554 ( 9.849 8.084 -0.874) 12.772 3.917 ( 0.794 -1.791 -5.706) 6.033 4.003 ( -0.023 -4.115 1.750) 4.472 4.249 ( -2.427 -5.783 1.544) 6.459 5.103 ( 1.689 -6.991 -4.575) 8.524 5.427 ( -4.529 7.231 14.009) 16.403 5.678 ( -3.264 5.673 6.401) 9.155 5.905 ( -10.668 -4.783 -0.368) 11.697 6.199 ( 12.370 -5.171 4.152) 14.035 6.686 ( -7.736 13.271 -2.151) 15.511 7.447 ( 6.778 9.536 -1.358) 11.778 7.502 ( 0.812 -6.108 -2.565) 6.674 7.657 ( 1.791 -7.997 4.743) 9.468 8.174 ( -2.511 -6.750 -6.545) 9.731 9.593 ( -1.469 -0.355 5.960) 6.149 9.839 ( -4.642 4.025 4.934) 7.879 11.322 ( 1.784 -6.498 2.753) 7.279 11.593 ( 0.523 -0.326 -2.801) 2.868 12.098 ( -5.434 0.239 2.685) 6.066 12.305 ( 0.869 3.586 -1.442) 3.962 13.415 ( -1.290 -3.803 -0.355) 4.031 13.576 ( 6.455 -3.840 -1.361) 7.633 14.178 ( -5.543 3.611 14.595) 16.024 14.954 ( -0.490 -4.535 -6.535) 7.970 17.354 ( 15.616 -6.143 3.098) 17.064 17.974 ( -16.363 -7.119 -2.330) 17.996 18.583 ( -3.388 2.482 14.455) 15.053 19.218 ( 0.842 -4.490 -3.933) 6.028 20.437 ( 21.292 12.151 3.767) 24.803 21.059 ( -23.334 4.969 -4.810) 24.338 22.061 ( 9.057 -7.914 2.198) 12.226 22.469 ( -2.304 3.275 -5.810) 7.056 ======================= Grid point 398 (197/300) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -4.705 8.733 -2.038) 10.127 1.838 ( 9.060 3.729 -1.638) 9.934 2.017 ( -8.821 5.782 0.727) 10.573 2.183 ( 3.453 -3.628 -3.913) 6.355 3.467 ( 6.183 6.796 5.310) 10.612 3.878 ( -13.180 -1.294 -1.884) 13.377 4.080 ( 4.144 -3.566 1.456) 5.657 4.440 ( 11.079 -6.160 1.810) 12.805 5.101 ( -5.065 6.381 2.510) 8.525 5.413 ( 3.975 -4.792 4.818) 7.872 5.542 ( -9.238 4.001 4.442) 11.003 5.940 ( -7.576 -5.610 0.007) 9.427 6.356 ( -6.378 13.429 -3.051) 15.177 6.392 ( 12.196 -1.914 0.122) 12.346 7.288 ( 3.368 7.759 1.123) 8.532 7.635 ( -1.350 -7.320 -3.934) 8.418 7.854 ( 3.771 -8.740 6.221) 11.371 8.301 ( -2.745 -10.104 -9.065) 13.849 9.524 ( 0.975 10.777 4.498) 11.719 9.691 ( -8.858 4.712 3.079) 10.495 11.488 ( 2.445 -7.175 2.844) 8.096 11.590 ( 0.370 -0.371 -1.025) 1.152 12.013 ( -8.104 2.849 2.483) 8.942 12.288 ( 1.665 -0.862 -2.544) 3.161 13.456 ( -3.945 -2.829 -1.065) 4.970 13.681 ( 9.224 -1.133 -3.125) 9.805 14.148 ( -6.702 -2.009 19.130) 20.370 15.058 ( 0.406 -8.139 -7.207) 10.879 17.659 ( 20.367 -9.993 6.551) 23.613 17.948 ( -12.845 -1.977 1.039) 13.038 18.547 ( -10.066 -1.489 11.552) 15.395 19.310 ( 2.637 -5.324 -7.625) 9.667 20.407 ( 23.167 10.498 4.197) 25.779 20.789 ( -22.816 3.522 -5.758) 23.793 22.242 ( 5.882 -5.086 0.551) 7.796 22.367 ( -2.644 4.247 -3.864) 6.321 ======================= Grid point 399 (198/300) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -6.099 3.867 7.768) 10.606 1.803 ( 9.219 7.931 5.174) 13.216 1.887 ( -5.615 2.949 2.669) 6.881 2.287 ( 4.670 -4.482 -4.982) 8.169 3.445 ( 0.741 0.327 10.811) 10.842 3.803 ( -11.983 -1.198 2.588) 12.318 4.181 ( 5.788 -2.951 -2.729) 7.047 4.585 ( 8.360 -0.694 1.623) 8.544 4.912 ( -5.211 10.574 11.845) 16.711 5.373 ( -3.032 5.471 -2.161) 6.618 5.565 ( -7.233 -2.304 5.698) 9.492 5.981 ( -5.683 -4.070 0.372) 7.000 6.126 ( -4.282 0.906 -3.052) 5.336 6.447 ( 15.527 6.653 -8.241) 18.795 7.296 ( 5.828 -4.326 5.682) 9.218 7.748 ( -3.260 -8.335 -6.125) 10.844 8.031 ( 4.582 -4.923 5.540) 8.713 8.428 ( -4.747 -8.464 -11.227) 14.840 9.245 ( -0.997 18.438 7.853) 20.066 9.574 ( -7.549 3.030 1.426) 8.259 11.536 ( 1.394 1.498 0.683) 2.157 11.645 ( -0.658 -1.757 -2.916) 3.467 11.938 ( -11.029 -3.438 6.371) 13.192 12.341 ( 3.673 -2.830 -1.590) 4.902 13.461 ( -4.828 -2.182 -3.690) 6.457 13.735 ( 10.392 2.309 -3.879) 11.330 14.244 ( -8.524 -10.016 21.217) 24.963 15.212 ( 1.469 -8.899 -6.708) 11.241 17.854 ( -7.733 3.901 5.937) 10.501 18.020 ( 18.807 -10.051 6.184) 22.203 18.538 ( -16.861 -6.361 6.874) 19.287 19.417 ( 2.380 -5.856 -9.582) 11.479 20.377 ( 11.523 10.304 3.722) 15.900 20.615 ( -3.930 -0.030 -7.392) 8.372 22.250 ( -5.189 3.039 -1.077) 6.109 22.353 ( 5.323 -0.973 -0.443) 5.429 ======================= Grid point 403 (199/300) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 3.563 0.000 10.464) 11.054 1.819 ( -6.989 -0.000 14.870) 16.431 2.407 ( 3.444 0.000 6.669) 7.506 2.471 ( 31.132 0.000 -1.484) 31.167 3.449 ( -11.272 -0.000 -8.021) 13.835 3.797 ( -12.225 -0.000 5.859) 13.557 4.011 ( 1.959 0.000 30.298) 30.361 4.105 ( -10.793 -0.000 12.279) 16.349 4.753 ( -7.038 -0.000 19.940) 21.145 4.963 ( -4.301 -0.000 -17.325) 17.851 5.269 ( 8.885 0.000 -5.319) 10.356 6.168 ( -3.714 -0.000 11.607) 12.187 6.472 ( 18.128 0.000 -8.629) 20.077 7.240 ( 11.577 0.000 -17.971) 21.377 7.721 ( 4.738 0.000 23.658) 24.128 7.774 ( -9.976 -0.000 -15.290) 18.256 8.213 ( -2.105 -0.000 -6.460) 6.795 8.262 ( 1.765 0.000 -0.848) 1.958 8.742 ( -6.411 -0.000 20.582) 21.558 9.031 ( -8.449 -0.000 -3.015) 8.970 11.267 ( -7.116 -0.000 2.676) 7.603 11.428 ( -3.409 -0.000 -0.589) 3.460 11.967 ( -3.810 -0.000 0.249) 3.818 12.339 ( -3.499 -0.000 -3.376) 4.862 13.331 ( 1.431 0.000 -13.346) 13.423 13.708 ( -9.541 -0.000 -4.547) 10.569 15.002 ( 7.673 0.000 7.844) 10.973 15.453 ( -1.970 -0.000 2.449) 3.143 17.557 ( -2.419 -0.000 6.451) 6.889 18.092 ( -18.685 -0.000 -4.967) 19.334 18.428 ( -19.000 -0.000 -1.447) 19.055 18.838 ( 4.042 0.000 -0.889) 4.139 20.904 ( 18.890 0.000 1.092) 18.921 21.357 ( 13.283 0.000 -9.380) 16.261 22.125 ( -0.012 -0.000 3.870) 3.870 22.150 ( -5.370 -0.000 -3.311) 6.309 ======================= Grid point 404 (200/300) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.004 1.815 14.085) 14.237 1.726 ( -0.373 -0.862 11.188) 11.227 2.422 ( 0.936 2.117 2.230) 3.214 2.711 ( 30.234 -1.155 -4.285) 30.558 3.257 ( -11.981 6.514 -4.705) 14.426 3.793 ( -6.262 0.738 9.238) 11.185 3.918 ( -13.520 -0.887 10.910) 17.396 4.263 ( -1.030 -8.562 24.068) 25.566 4.781 ( -8.996 -0.004 5.178) 10.380 4.895 ( 0.384 -4.740 2.069) 5.186 5.369 ( 6.671 -3.944 -4.090) 8.762 6.136 ( -2.161 3.143 12.570) 13.136 6.625 ( 15.732 -3.707 -9.114) 18.556 7.066 ( 8.898 17.349 -7.387) 20.850 7.583 ( -11.023 4.666 -17.470) 21.177 7.999 ( 1.422 -6.710 1.410) 7.002 8.058 ( 2.474 3.899 4.267) 6.287 8.294 ( -0.650 1.948 0.593) 2.138 8.786 ( -6.632 -5.817 17.743) 19.815 9.048 ( -5.747 -8.251 0.588) 10.073 11.216 ( -5.761 0.668 1.940) 6.115 11.453 ( -2.483 -4.838 2.496) 5.983 11.883 ( -1.145 5.642 -2.786) 6.396 12.370 ( -2.103 -6.031 -4.640) 7.895 13.314 ( 2.452 0.457 -12.808) 13.049 13.596 ( -13.087 1.487 -5.817) 14.399 14.957 ( 8.137 12.209 10.377) 17.971 15.413 ( -2.619 3.391 1.987) 4.723 17.565 ( -2.962 -1.289 3.156) 4.516 17.893 ( -17.210 4.989 -4.846) 18.563 18.316 ( -12.659 -3.242 0.367) 13.072 18.968 ( 1.592 -9.232 -2.540) 9.707 21.003 ( 18.062 4.477 2.188) 18.737 21.342 ( 8.527 6.971 -5.389) 12.262 22.005 ( -6.262 5.012 2.390) 8.370 22.277 ( 1.070 -8.861 -4.693) 10.084 ======================= Grid point 405 (201/300) ======================= q-point: ( 0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.685 7.212 11.447) 13.634 1.925 ( 2.494 -8.825 9.653) 13.315 2.338 ( -0.661 6.391 -3.970) 7.553 2.908 ( 16.545 3.756 -10.357) 19.877 3.105 ( 0.836 -0.934 2.146) 2.485 3.655 ( -9.277 6.533 17.024) 20.459 3.946 ( -12.513 -7.376 -0.909) 14.554 4.441 ( 1.400 -6.176 16.391) 17.572 4.670 ( -3.761 3.424 -3.155) 5.985 5.131 ( -2.704 -14.691 19.052) 24.210 5.465 ( 2.834 -2.786 -1.461) 4.234 6.088 ( 0.229 4.174 13.842) 14.459 6.721 ( 14.498 8.892 -13.965) 22.007 6.879 ( 3.826 1.537 1.725) 4.470 7.342 ( -10.846 7.226 -20.445) 24.246 7.850 ( 0.442 8.753 -4.856) 10.019 8.187 ( -2.482 2.695 6.388) 7.364 8.217 ( 3.652 2.272 0.971) 4.410 8.948 ( -3.206 -11.975 13.657) 18.445 9.228 ( -3.853 -13.359 6.674) 15.422 11.174 ( -4.591 -0.339 0.709) 4.657 11.555 ( -1.487 -5.770 4.140) 7.256 11.781 ( 1.390 3.325 -2.269) 4.258 12.476 ( 1.021 -6.190 -5.555) 8.380 13.298 ( 2.408 0.449 -10.264) 10.553 13.447 ( -12.718 1.884 -6.781) 14.535 14.771 ( 5.197 15.316 13.880) 21.313 15.296 ( -2.289 7.151 0.870) 7.559 17.535 ( -1.710 4.080 -7.622) 8.813 17.685 ( -16.891 0.197 -0.250) 16.894 18.355 ( -7.456 -7.881 4.893) 11.901 19.121 ( -0.187 -6.346 -3.254) 7.134 21.028 ( 19.685 8.812 1.700) 21.634 21.296 ( 6.351 1.771 0.941) 6.660 21.852 ( -9.210 5.958 1.889) 11.130 22.420 ( 0.588 -6.802 -7.116) 9.862 ======================= Grid point 406 (202/300) ======================= q-point: (-0.45 -0.73 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 5.080 2.223 5.574) 7.862 2.091 ( -1.675 -5.791 7.652) 9.741 2.191 ( 2.911 8.054 -7.663) 11.492 2.746 ( -7.384 9.152 -7.884) 14.158 3.323 ( 22.509 -5.825 2.811) 23.420 3.559 ( -9.546 -1.474 10.683) 14.403 3.954 ( -10.920 -3.553 -0.570) 11.498 4.511 ( -0.441 2.057 -12.776) 12.948 4.685 ( 3.120 -5.187 20.065) 20.958 5.395 ( -4.401 -11.548 15.641) 19.934 5.508 ( -2.142 -1.870 4.197) 5.069 6.054 ( 2.636 3.807 15.030) 15.727 6.537 ( 4.980 13.996 -8.476) 17.103 6.952 ( 3.823 -2.102 -4.877) 6.544 7.135 ( -4.999 1.920 -14.287) 15.258 7.689 ( -4.219 6.505 -5.087) 9.273 8.072 ( 5.557 8.639 2.449) 10.560 8.185 ( -1.155 4.016 1.629) 4.485 9.195 ( -0.577 -12.253 11.733) 16.974 9.478 ( -2.265 -13.739 9.518) 16.867 11.164 ( -3.765 -1.761 0.681) 4.212 11.591 ( 0.925 0.907 -6.444) 6.573 11.835 ( 1.564 -6.259 9.300) 11.318 12.553 ( 2.434 -1.093 -5.631) 6.232 13.299 ( -4.149 -2.764 -4.163) 6.495 13.336 ( -1.790 1.047 -8.734) 8.977 14.561 ( 0.033 12.608 15.354) 19.867 15.140 ( -1.107 7.953 -0.805) 8.070 17.376 ( 1.355 7.865 -9.652) 12.525 17.637 ( -17.259 -6.891 -1.257) 18.626 18.482 ( -3.456 -7.999 8.913) 12.465 19.169 ( -1.044 -0.443 -2.372) 2.629 20.993 ( 21.266 11.952 1.148) 24.422 21.377 ( 0.175 -4.132 5.474) 6.861 21.672 ( -6.649 4.958 0.124) 8.296 22.499 ( -1.319 -3.847 -8.148) 9.107 ======================= Grid point 407 (203/300) ======================= q-point: (-0.36 -0.73 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 6.127 -2.382 -1.161) 6.676 2.020 ( 0.263 7.345 -8.637) 11.341 2.180 ( 0.765 -0.533 4.489) 4.585 2.502 ( -7.712 8.972 -3.628) 12.375 3.539 ( 2.605 -4.605 4.580) 6.998 3.679 ( 12.653 -9.868 0.701) 16.062 3.921 ( -8.846 -1.395 0.525) 8.971 4.379 ( -1.924 7.493 -14.885) 16.775 4.867 ( 5.088 -5.491 13.554) 15.484 5.489 ( -4.647 -1.495 5.836) 7.609 5.597 ( -6.121 -8.078 15.308) 18.359 6.054 ( 2.160 2.719 12.529) 13.001 6.261 ( -0.150 13.894 -5.390) 14.904 6.965 ( 2.102 1.419 -8.954) 9.306 7.165 ( 2.200 -6.707 -3.770) 8.003 7.532 ( -8.240 3.229 -2.771) 9.274 7.952 ( 10.574 12.359 0.021) 16.265 8.104 ( -3.606 1.821 -0.492) 4.070 9.413 ( -0.618 -8.727 11.533) 14.476 9.714 ( -0.690 -10.295 8.550) 13.400 11.181 ( -2.441 -2.518 0.677) 3.572 11.565 ( 1.349 0.591 -8.476) 8.603 11.992 ( 0.783 -6.027 10.692) 12.299 12.518 ( 1.446 4.892 -3.749) 6.331 13.289 ( -5.971 -3.230 -3.212) 7.510 13.391 ( 6.239 -4.384 -4.967) 9.100 14.384 ( -4.448 8.322 14.842) 17.588 14.996 ( -0.460 6.310 -3.187) 7.084 17.288 ( 7.433 2.831 -4.691) 9.234 17.643 ( -17.227 -8.576 -4.488) 19.760 18.609 ( -1.321 -4.599 11.788) 12.722 19.144 ( -0.922 0.950 -0.642) 1.471 20.923 ( 21.258 13.531 2.459) 25.319 21.273 ( -19.998 5.721 -0.665) 20.811 21.740 ( 9.894 -7.794 4.136) 13.257 22.510 ( -3.094 -1.295 -8.568) 9.201 ======================= Grid point 408 (204/300) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 4.872 -2.492 -5.871) 8.026 1.881 ( 3.003 5.963 -10.664) 12.581 2.167 ( -6.035 0.712 3.119) 6.830 2.301 ( -0.097 8.626 -0.010) 8.627 3.638 ( -1.590 -5.033 -0.610) 5.313 3.893 ( -4.520 -1.777 -0.332) 4.868 3.954 ( 12.736 -3.029 -1.149) 13.141 4.191 ( 0.649 3.133 -9.560) 10.081 4.999 ( 1.099 -3.949 6.222) 7.451 5.479 ( -5.103 0.307 9.403) 10.703 5.717 ( -5.035 -6.361 10.696) 13.424 5.872 ( -6.812 12.740 -0.959) 14.478 6.222 ( 9.809 -2.611 8.172) 13.031 6.845 ( -3.621 9.822 -6.226) 12.180 7.343 ( 3.588 -9.350 -1.860) 10.186 7.494 ( -4.954 -5.460 -1.593) 7.543 7.776 ( 6.982 13.461 2.054) 15.303 8.071 ( -1.720 -1.111 -4.681) 5.109 9.549 ( -1.501 -4.374 10.887) 11.828 9.848 ( -1.266 -2.457 4.927) 5.649 11.233 ( -0.155 -4.440 1.556) 4.707 11.557 ( -0.698 -1.117 -6.185) 6.324 12.086 ( 0.194 -1.411 7.054) 7.196 12.407 ( 0.530 6.559 -1.642) 6.782 13.321 ( -3.362 -4.147 -1.511) 5.548 13.526 ( 5.725 -5.587 -2.279) 8.318 14.253 ( -5.306 5.187 13.638) 15.526 14.905 ( -0.523 1.641 -5.149) 5.429 17.377 ( 13.835 -4.028 0.995) 14.444 17.671 ( -16.030 -9.471 -5.760) 19.489 18.654 ( -1.856 1.857 13.862) 14.108 19.152 ( 0.531 -2.511 -0.641) 2.645 20.826 ( 15.091 12.802 1.898) 19.881 20.993 ( -17.738 7.095 -1.592) 19.171 21.985 ( 9.467 -8.518 3.403) 13.182 22.467 ( -4.245 0.770 -8.217) 9.280 ======================= Grid point 409 (205/300) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.693 8.903 -6.738) 11.187 1.869 ( 3.606 -2.549 -10.659) 11.538 2.077 ( -7.603 1.813 0.159) 7.818 2.215 ( 9.329 5.634 3.681) 11.503 3.672 ( 1.641 1.398 0.477) 2.208 3.783 ( -5.968 8.726 -6.491) 12.405 3.982 ( -3.443 -6.590 0.802) 7.479 4.404 ( 16.568 -10.149 -0.747) 19.444 5.051 ( -6.553 -2.665 1.116) 7.161 5.449 ( -0.467 2.181 10.895) 11.121 5.612 ( -6.545 9.162 0.336) 11.265 5.803 ( -4.426 -4.943 6.299) 9.148 6.416 ( 12.977 -6.292 4.658) 15.155 6.558 ( -6.949 14.504 -3.360) 16.430 7.468 ( -1.888 1.995 -5.901) 6.509 7.528 ( 3.270 1.129 -0.411) 3.483 7.713 ( 0.946 -7.468 6.877) 10.196 8.110 ( -0.999 -5.880 -7.545) 9.618 9.601 ( -2.212 -0.557 9.454) 9.726 9.789 ( -3.372 7.544 1.846) 8.467 11.358 ( 1.045 -7.934 3.155) 8.602 11.560 ( -2.679 -1.388 -2.834) 4.140 12.069 ( -0.338 4.717 3.142) 5.677 12.311 ( 0.670 2.907 -0.766) 3.080 13.361 ( -4.556 -3.346 -1.146) 5.768 13.657 ( 3.406 -4.867 -0.044) 5.940 14.177 ( -2.393 2.933 13.174) 13.707 14.918 ( -0.226 -4.665 -5.982) 7.589 17.617 ( 7.927 -9.663 2.884) 12.827 17.733 ( -4.330 -8.721 -3.222) 10.256 18.583 ( -5.004 5.690 14.586) 16.436 19.229 ( 2.428 -4.451 -3.138) 5.963 20.655 ( -17.926 3.934 -4.560) 18.911 20.807 ( 15.617 12.201 4.635) 20.353 22.183 ( 4.720 -5.809 0.561) 7.506 22.395 ( -2.641 1.837 -5.986) 6.795 ======================= Grid point 410 (206/300) ======================= q-point: (-0.09 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -4.258 9.590 -1.660) 10.623 1.881 ( -0.904 0.378 -4.212) 4.325 2.046 ( 10.921 4.310 -0.205) 11.742 2.227 ( 3.897 -1.302 0.096) 4.110 3.561 ( 0.268 8.736 1.824) 8.928 3.681 ( -9.141 -2.631 2.924) 9.951 4.099 ( 0.109 -6.885 -2.831) 7.445 4.652 ( 12.356 -2.589 2.211) 12.816 4.991 ( -10.257 2.099 1.600) 10.592 5.440 ( -2.578 4.870 -3.143) 6.344 5.483 ( -0.476 -2.325 14.202) 14.399 5.861 ( -4.518 -4.063 3.169) 6.853 6.237 ( -4.748 12.701 -3.098) 13.908 6.621 ( 15.928 -1.467 -1.894) 16.107 7.326 ( 0.471 4.658 1.733) 4.992 7.589 ( -1.842 -5.042 -5.798) 7.901 7.919 ( 0.893 -10.308 6.506) 12.222 8.218 ( -2.541 -8.165 -9.118) 12.500 9.555 ( -4.710 14.188 3.107) 15.269 9.580 ( -2.831 2.753 7.535) 8.507 11.524 ( 1.027 -6.970 1.253) 7.156 11.551 ( -5.056 -1.785 0.194) 5.366 11.938 ( -3.287 7.425 3.043) 8.671 12.322 ( 3.640 -1.946 -0.738) 4.193 13.369 ( -5.515 -2.451 -2.850) 6.674 13.751 ( 0.323 -3.735 -0.088) 3.750 14.170 ( -0.094 -0.151 14.917) 14.918 15.036 ( 0.489 -8.856 -5.869) 10.635 17.720 ( -13.733 -7.779 -4.409) 16.387 18.010 ( 19.560 -9.383 7.531) 22.965 18.455 ( -9.603 4.918 12.880) 16.802 19.323 ( 2.614 -4.671 -6.585) 8.486 20.448 ( -17.935 2.063 -3.665) 18.421 20.765 ( 20.944 8.526 3.323) 22.856 22.220 ( -7.103 -0.106 -3.901) 8.104 22.391 ( 6.361 -0.432 -0.796) 6.425 ======================= Grid point 415 (207/300) ======================= q-point: ( 0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.708 0.000 14.515) 14.981 1.805 ( -3.257 -0.000 14.465) 14.828 2.450 ( -0.042 -0.000 0.846) 0.848 2.911 ( 28.029 0.000 -5.359) 28.537 3.237 ( -11.623 -0.000 -8.010) 14.116 3.640 ( -11.369 -0.000 4.066) 12.074 3.984 ( -12.278 -0.000 15.604) 19.855 4.180 ( 1.123 0.000 30.393) 30.414 4.752 ( -3.664 -0.000 7.298) 8.166 4.848 ( -1.696 -0.000 2.082) 2.685 5.383 ( 8.508 0.000 -4.349) 9.555 6.167 ( -3.595 -0.000 12.866) 13.359 6.685 ( 14.298 0.000 -8.143) 16.454 7.311 ( 7.502 0.000 -19.408) 20.808 7.523 ( -12.307 -0.000 -16.116) 20.277 7.863 ( 2.095 0.000 17.758) 17.881 8.130 ( -5.486 -0.000 -5.454) 7.736 8.334 ( 6.147 0.000 2.910) 6.802 8.709 ( -9.115 -0.000 18.783) 20.878 8.930 ( -3.026 -0.000 -1.352) 3.314 11.207 ( -2.961 -0.000 6.459) 7.106 11.388 ( -1.034 -0.000 -0.805) 1.310 11.941 ( 1.564 0.000 -5.476) 5.695 12.256 ( -4.449 -0.000 -6.874) 8.188 13.312 ( 3.535 0.000 -13.508) 13.963 13.488 ( -15.514 -0.000 -5.589) 16.490 15.172 ( 9.676 0.000 7.350) 12.151 15.424 ( -3.333 -0.000 3.814) 5.065 17.551 ( -1.215 -0.000 4.214) 4.385 17.799 ( -16.251 -0.000 -4.700) 16.917 18.177 ( -14.119 -0.000 1.020) 14.155 18.894 ( 4.919 0.000 -5.195) 7.154 21.160 ( 12.691 0.000 3.063) 13.056 21.460 ( 4.968 0.000 -3.452) 6.049 22.066 ( -3.185 -0.000 -3.204) 4.518 22.142 ( 1.127 0.000 -1.570) 1.933 ======================= Grid point 416 (208/300) ======================= q-point: (-0.55 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.399 5.761 13.354) 14.550 1.825 ( 1.750 -5.532 15.422) 16.478 2.414 ( -1.267 3.164 -2.660) 4.324 3.010 ( -5.857 5.843 -10.188) 13.124 3.165 ( 20.180 -1.688 -1.682) 20.320 3.681 ( -11.933 -9.848 -0.147) 15.472 3.795 ( -9.338 10.590 19.270) 23.889 4.349 ( -3.621 -7.960 20.793) 22.557 4.709 ( -0.056 1.601 -2.167) 2.694 4.942 ( 0.289 -7.089 21.191) 22.347 5.452 ( 6.120 -1.575 -3.534) 7.240 6.157 ( -2.368 1.200 13.191) 13.455 6.794 ( 11.262 -2.728 -9.087) 14.725 7.145 ( 5.827 16.245 -7.552) 18.838 7.316 ( -12.515 4.719 -18.904) 23.157 7.962 ( -3.561 5.124 -10.148) 11.913 8.104 ( -1.794 -8.450 11.868) 14.679 8.347 ( 6.060 4.320 3.319) 8.149 8.753 ( -7.581 -7.951 16.853) 20.118 9.002 ( -0.269 -8.837 1.161) 8.917 11.181 ( -0.535 2.245 4.493) 5.051 11.444 ( -0.048 -5.471 2.971) 6.226 11.872 ( 2.399 5.590 -7.268) 9.477 12.310 ( -1.963 -8.873 -8.132) 12.195 13.295 ( -2.216 1.401 -9.537) 9.891 13.360 ( -9.475 -0.235 -8.519) 12.743 15.124 ( 7.702 13.115 9.382) 17.870 15.382 ( -2.726 3.438 3.171) 5.413 17.512 ( -7.081 1.912 2.804) 7.852 17.666 ( -6.766 3.489 -9.122) 11.881 18.147 ( -10.950 -7.228 5.980) 14.420 18.992 ( 3.542 -6.795 -5.969) 9.713 21.229 ( 8.296 1.633 4.575) 9.613 21.432 ( 6.592 5.207 -2.366) 8.727 21.929 ( -3.906 7.743 1.241) 8.761 22.265 ( 0.147 -8.224 -6.962) 10.777 ======================= Grid point 417 (209/300) ======================= q-point: (-0.45 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.018 5.768 10.143) 12.053 1.971 ( -3.219 -6.371 13.007) 14.837 2.318 ( 0.420 5.385 -5.223) 7.513 2.802 ( -9.386 6.087 -9.123) 14.435 3.399 ( 20.160 -4.947 -1.714) 20.828 3.573 ( -9.328 7.048 17.064) 20.685 3.768 ( -9.107 -6.320 -1.140) 11.144 4.470 ( -1.734 -4.951 0.236) 5.251 4.719 ( 4.157 0.351 17.250) 17.748 5.165 ( -3.463 -12.108 20.668) 24.203 5.496 ( 2.257 -0.081 -2.048) 3.049 6.150 ( -0.025 1.743 13.477) 13.589 6.812 ( 2.737 12.837 -13.089) 18.537 6.944 ( 4.270 0.160 2.512) 4.957 7.117 ( -4.846 4.146 -19.603) 20.615 7.764 ( -6.683 7.884 -9.340) 13.930 8.176 ( -2.891 1.076 5.657) 6.443 8.321 ( 8.563 5.700 2.248) 10.530 8.959 ( -4.576 -14.614 15.521) 21.804 9.227 ( 1.433 -13.538 4.182) 14.242 11.152 ( 0.714 1.640 2.379) 2.976 11.552 ( -0.679 -4.319 1.645) 4.671 11.814 ( 4.236 0.634 -2.226) 4.827 12.460 ( 1.119 -8.452 -8.722) 12.197 13.186 ( -12.847 -0.185 -3.856) 13.415 13.342 ( 4.186 -0.297 -11.341) 12.092 14.895 ( 3.169 17.838 13.286) 22.467 15.271 ( -1.532 6.903 1.604) 7.251 17.430 ( -12.975 -1.739 -0.191) 13.092 17.515 ( 1.466 7.594 -10.926) 13.386 18.284 ( -5.892 -11.394 9.687) 16.074 19.114 ( 1.493 -4.687 -5.520) 7.394 21.259 ( 4.012 1.579 6.449) 7.757 21.403 ( 10.948 4.649 -3.006) 12.268 21.747 ( -4.634 8.049 4.033) 10.125 22.372 ( -2.385 -6.041 -9.213) 11.272 ======================= Grid point 418 (210/300) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.534 2.341 4.431) 6.758 2.037 ( -6.608 -2.371 5.364) 8.835 2.211 ( -1.232 4.908 -3.152) 5.961 2.617 ( -2.289 7.113 -6.718) 10.048 3.437 ( -12.670 -1.641 11.829) 17.411 3.687 ( 22.781 -5.608 -1.318) 23.498 3.785 ( -10.385 -4.258 -0.573) 11.239 4.472 ( 2.120 3.994 -9.461) 10.486 4.856 ( 6.054 -5.290 21.428) 22.886 5.379 ( -5.957 -10.001 14.082) 18.271 5.485 ( -3.035 0.329 3.750) 4.836 6.146 ( 0.992 2.530 12.302) 12.599 6.502 ( -4.369 14.733 -6.264) 16.595 6.994 ( 6.011 1.074 -11.285) 12.831 7.068 ( 2.021 -4.237 -4.481) 6.490 7.544 ( -10.106 6.817 -7.252) 14.185 8.123 ( -2.666 2.744 2.029) 4.331 8.243 ( 9.346 10.230 0.567) 13.868 9.233 ( -2.329 -13.450 13.912) 19.490 9.509 ( 2.472 -13.540 5.933) 14.988 11.145 ( 0.551 0.012 1.465) 1.565 11.571 ( 0.282 0.499 -7.408) 7.430 11.916 ( 3.768 -5.823 8.438) 10.923 12.554 ( 1.518 -1.612 -6.920) 7.266 13.140 ( -8.747 -5.003 -3.470) 10.658 13.374 ( 6.063 -1.607 -8.542) 10.597 14.611 ( -2.426 15.836 16.127) 22.732 15.126 ( -0.172 8.017 -0.929) 8.073 17.384 ( -12.304 -3.828 -4.329) 13.594 17.405 ( 5.467 3.859 -6.242) 9.151 18.480 ( -2.298 -10.136 10.952) 15.098 19.151 ( 0.054 -0.100 -3.125) 3.127 21.216 ( -12.124 3.742 2.836) 13.002 21.331 ( 14.222 12.645 -1.647) 19.102 21.707 ( 6.607 -3.638 6.897) 10.220 22.412 ( -4.809 -3.697 -10.223) 11.886 ======================= Grid point 419 (211/300) ======================= q-point: (-0.27 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 4.166 -1.367 -1.800) 4.739 1.991 ( 0.602 4.182 -7.080) 8.245 2.099 ( -12.246 1.661 2.963) 12.708 2.489 ( 6.457 7.357 -1.528) 9.907 3.457 ( -10.290 -7.478 3.173) 13.110 3.770 ( -9.727 -3.597 1.288) 10.451 3.983 ( 19.944 -8.221 -0.140) 21.572 4.331 ( 2.984 10.412 -12.489) 16.531 5.016 ( 6.430 -0.995 13.383) 14.881 5.434 ( -5.803 -1.599 3.475) 6.951 5.550 ( -8.217 -8.157 14.580) 18.618 6.056 ( -4.471 10.126 1.979) 11.245 6.299 ( 4.184 3.371 7.287) 9.053 6.964 ( 2.680 5.227 -10.527) 12.055 7.208 ( 4.401 -7.828 -0.886) 9.024 7.372 ( -9.755 -0.117 -4.192) 10.619 8.010 ( -5.402 7.484 0.250) 9.234 8.137 ( 10.418 8.031 -1.646) 13.256 9.454 ( -1.137 -8.487 12.722) 15.335 9.753 ( 1.769 -8.809 5.413) 10.489 11.169 ( 0.332 -2.202 1.103) 2.486 11.539 ( 0.312 0.854 -8.267) 8.317 12.060 ( 2.366 -4.356 9.193) 10.445 12.516 ( 0.514 4.613 -3.443) 5.780 13.198 ( -3.628 -6.112 -3.513) 7.929 13.463 ( 5.629 -4.642 -5.542) 9.163 14.372 ( -6.018 10.022 16.775) 20.446 14.981 ( 0.758 6.939 -3.494) 7.806 17.367 ( -10.087 -5.143 -5.360) 12.527 17.451 ( 9.800 -3.266 -1.574) 10.449 18.642 ( -0.939 -5.196 12.015) 13.124 19.135 ( 0.105 0.339 -0.706) 0.790 20.927 ( -23.460 9.398 -2.457) 25.392 21.249 ( 18.909 11.742 3.538) 22.538 21.911 ( 9.224 -8.087 4.987) 13.242 22.397 ( -6.080 -1.867 -10.185) 12.008 ======================= Grid point 420 (212/300) ======================= q-point: (-0.18 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.001 -0.212 -6.725) 7.367 1.865 ( -0.768 5.901 -9.006) 10.795 2.011 ( -8.552 -1.186 0.156) 8.635 2.431 ( 10.872 6.678 2.540) 13.010 3.520 ( -11.532 -6.756 -1.665) 13.469 3.801 ( -6.154 -6.796 0.783) 9.201 4.079 ( 7.110 15.160 -9.141) 19.077 4.313 ( 14.593 -11.253 -3.056) 18.680 5.032 ( -1.244 3.134 8.877) 9.496 5.448 ( -3.124 -2.328 4.394) 5.872 5.642 ( -7.984 -4.265 7.849) 11.980 5.822 ( -2.180 9.797 6.595) 12.009 6.401 ( 8.437 -4.996 7.500) 12.345 6.760 ( -4.004 12.667 -6.126) 14.629 7.348 ( -1.983 -6.355 -5.062) 8.363 7.456 ( 1.534 -10.582 0.554) 10.707 7.793 ( -5.369 10.561 0.488) 11.857 8.091 ( 6.574 3.471 -3.814) 8.355 9.578 ( -1.163 -3.143 10.996) 11.495 9.852 ( -0.610 0.055 3.848) 3.897 11.243 ( 0.307 -5.290 1.974) 5.654 11.518 ( -0.696 -0.382 -5.278) 5.337 12.137 ( 2.578 -0.032 5.794) 6.342 12.401 ( -0.577 6.553 -1.239) 6.694 13.265 ( -2.555 -3.884 -2.458) 5.258 13.583 ( 2.677 -5.162 -2.382) 6.284 14.237 ( -4.774 3.752 14.923) 16.111 14.889 ( 1.538 2.486 -4.718) 5.550 17.391 ( -12.375 -7.919 -6.080) 15.900 17.662 ( 17.091 -7.915 3.207) 19.106 18.674 ( -3.251 3.257 13.222) 14.000 19.170 ( 2.353 -3.323 -1.107) 4.219 20.579 ( -23.864 7.094 -3.166) 25.097 21.181 ( 18.363 11.978 4.712) 22.425 22.106 ( 3.245 -5.821 0.269) 6.670 22.364 ( -2.814 -1.383 -7.249) 7.898 ======================= Grid point 421 (213/300) ======================= q-point: (-0.09 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.572 10.999 -6.794) 13.181 1.851 ( 0.905 -2.445 -6.047) 6.586 2.028 ( 0.994 -4.747 -6.048) 7.752 2.403 ( 12.331 7.209 5.055) 15.152 3.503 ( -14.711 -2.742 -0.800) 14.986 3.821 ( 4.435 10.234 -3.571) 11.711 3.948 ( 0.749 -6.449 -3.248) 7.260 4.621 ( 11.224 -10.538 -3.540) 15.798 4.948 ( -8.795 3.417 7.135) 11.829 5.467 ( 0.278 0.123 -1.291) 1.327 5.566 ( -2.007 5.948 13.586) 14.966 5.786 ( -2.497 -2.323 6.945) 7.737 6.424 ( -6.344 11.074 -5.877) 14.051 6.650 ( 12.687 -4.958 6.376) 15.040 7.396 ( -3.241 -0.058 -7.337) 8.021 7.544 ( -1.095 4.417 -1.537) 4.803 7.720 ( -2.636 -11.051 4.137) 12.091 8.101 ( 3.246 -1.666 -5.008) 6.196 9.594 ( -3.407 1.991 6.292) 7.427 9.771 ( -1.309 8.003 6.996) 10.711 11.365 ( -2.225 -7.455 2.321) 8.119 11.518 ( -0.447 -0.853 -1.802) 2.043 12.094 ( 1.424 8.041 2.082) 8.428 12.323 ( 1.033 0.310 0.831) 1.362 13.287 ( -3.521 -1.903 -2.638) 4.793 13.666 ( -2.336 -3.847 1.077) 4.628 14.214 ( -0.225 0.497 11.903) 11.915 14.905 ( 1.719 -3.953 -4.679) 6.362 17.439 ( -12.536 -9.039 -6.876) 16.915 17.985 ( 18.367 -10.351 6.607) 22.094 18.552 ( -7.289 7.982 13.652) 17.413 19.256 ( 2.899 -3.611 -4.457) 6.428 20.328 ( -18.141 1.384 -2.111) 18.316 21.112 ( 17.867 11.370 4.874) 21.732 22.135 ( -8.554 -1.350 -5.818) 10.433 22.411 ( 5.996 -2.428 -1.605) 6.665 ======================= Grid point 427 (214/300) ======================= q-point: (-0.55 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.015 -0.000 18.862) 18.862 1.837 ( -1.145 -0.000 14.082) 14.128 2.423 ( -1.872 -0.000 -3.610) 4.066 2.993 ( -11.626 -0.000 -8.935) 14.663 3.312 ( 23.493 0.000 -3.289) 23.722 3.478 ( -11.563 -0.000 0.654) 11.581 3.893 ( -8.479 -0.000 17.002) 18.999 4.248 ( -7.690 -0.000 22.459) 23.739 4.685 ( -2.203 -0.000 -6.828) 7.174 4.992 ( 7.874 0.000 29.657) 30.684 5.480 ( 6.449 0.000 -4.035) 7.607 6.171 ( -2.828 -0.000 12.647) 12.959 6.821 ( 7.894 0.000 -10.499) 13.136 7.220 ( -6.903 -0.000 -20.713) 21.833 7.368 ( -0.307 -0.000 -9.488) 9.493 7.930 ( -0.263 -0.000 1.147) 1.177 8.010 ( -8.616 -0.000 5.665) 10.311 8.456 ( 8.155 0.000 1.972) 8.390 8.636 ( -10.090 -0.000 16.160) 19.052 8.937 ( 4.095 0.000 0.787) 4.170 11.235 ( 1.961 0.000 9.173) 9.380 11.398 ( 2.983 0.000 -0.750) 3.076 11.961 ( 5.455 0.000 -10.081) 11.463 12.148 ( -5.102 -0.000 -9.562) 10.838 13.218 ( -16.422 -0.000 -4.525) 17.034 13.319 ( 4.815 0.000 -12.696) 13.578 15.344 ( 8.965 0.000 5.870) 10.716 15.392 ( -3.089 -0.000 4.467) 5.431 17.563 ( 1.105 0.000 2.390) 2.633 17.575 ( -10.445 -0.000 -4.567) 11.400 18.002 ( -10.766 -0.000 4.737) 11.762 18.941 ( 4.889 0.000 -7.318) 8.800 21.288 ( 2.095 0.000 2.705) 3.421 21.505 ( 2.275 0.000 1.295) 2.618 22.045 ( 2.189 0.000 -1.812) 2.842 22.129 ( -1.154 -0.000 -6.139) 6.247 ======================= Grid point 428 (215/300) ======================= q-point: (-0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -1.311 3.678 12.893) 13.472 1.894 ( -2.178 -3.199 18.104) 18.513 2.374 ( -2.161 2.889 -3.682) 5.155 2.813 ( -10.178 5.536 -8.356) 14.285 3.455 ( -3.565 -2.166 2.037) 4.643 3.511 ( 9.045 -5.458 -3.112) 11.013 3.783 ( -2.188 7.045 14.239) 16.036 4.320 ( -7.403 -8.046 11.331) 15.746 4.711 ( -2.704 -5.010 4.749) 7.414 5.117 ( 7.324 -0.148 30.137) 31.015 5.517 ( 4.483 -0.004 -4.001) 6.009 6.182 ( -1.347 -0.073 11.728) 11.806 6.846 ( -0.732 -1.113 -17.420) 17.471 7.098 ( -4.098 5.720 -7.249) 10.103 7.185 ( 3.907 11.495 -8.424) 14.777 7.825 ( -7.455 6.489 -12.376) 15.838 8.107 ( -3.839 -7.676 10.252) 13.370 8.474 ( 7.887 3.158 3.003) 9.011 8.700 ( -7.806 -9.820 13.933) 18.748 9.058 ( 6.341 -8.085 2.176) 10.503 11.236 ( 4.638 3.596 5.907) 8.327 11.474 ( 2.144 -4.209 2.311) 5.259 11.887 ( 4.003 4.927 -8.827) 10.872 12.249 ( -0.231 -11.566 -11.101) 16.033 13.081 ( -14.477 0.583 -3.098) 14.816 13.340 ( 5.164 -0.799 -11.592) 12.716 15.258 ( 4.361 13.491 7.744) 16.155 15.370 ( -0.071 4.282 3.576) 5.579 17.384 ( -8.487 5.776 1.208) 10.337 17.615 ( 3.510 2.410 -9.862) 10.742 18.040 ( -8.152 -10.681 11.576) 17.736 19.019 ( 3.921 -5.329 -7.703) 10.155 21.275 ( -3.929 1.143 3.477) 5.369 21.525 ( 5.584 0.470 0.989) 5.690 21.918 ( 1.624 9.775 0.636) 9.929 22.216 ( -1.907 -6.569 -8.223) 10.696 ======================= Grid point 429 (216/300) ======================= q-point: (-0.36 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.440 4.048 8.884) 9.772 1.957 ( -4.781 -2.255 12.975) 14.011 2.262 ( -7.178 4.509 -1.768) 8.659 2.673 ( -1.282 2.480 -9.718) 10.111 3.376 ( -14.580 2.495 13.039) 19.718 3.646 ( -2.689 -3.396 0.944) 4.433 3.778 ( 16.236 -1.106 -1.879) 16.382 4.454 ( 0.075 -6.550 0.799) 6.599 4.818 ( -3.242 -6.750 16.942) 18.523 5.246 ( 1.613 -3.419 26.329) 26.599 5.514 ( 1.860 2.328 -3.869) 4.883 6.199 ( -0.424 0.423 10.413) 10.430 6.664 ( -10.835 9.782 -15.752) 21.475 7.037 ( 6.485 0.747 1.449) 6.687 7.072 ( 5.324 3.659 -11.053) 12.802 7.592 ( -9.687 8.412 -10.967) 16.878 8.145 ( -3.862 0.920 4.319) 5.866 8.472 ( 9.965 6.208 0.222) 11.743 8.933 ( -6.649 -17.451 13.385) 22.976 9.313 ( 6.874 -12.394 4.362) 14.829 11.212 ( 5.352 4.112 3.283) 7.505 11.543 ( -0.436 -1.924 -2.552) 3.226 11.887 ( 5.683 -2.186 0.125) 6.090 12.441 ( 2.222 -9.697 -10.682) 14.597 12.990 ( -10.376 -2.407 -1.990) 10.836 13.375 ( 5.647 -1.082 -9.563) 11.158 14.977 ( 0.048 20.130 12.699) 23.801 15.268 ( 0.289 7.032 1.321) 7.161 17.256 ( -8.648 1.168 -0.632) 8.750 17.539 ( 6.706 5.646 -8.574) 12.262 18.264 ( -2.915 -13.621 12.286) 18.573 19.115 ( 2.071 -3.452 -6.654) 7.777 21.186 ( -13.135 3.670 2.164) 13.809 21.584 ( 12.081 1.230 -1.987) 12.305 21.775 ( 3.657 6.440 7.215) 10.339 22.272 ( -4.777 -4.476 -10.131) 12.062 ======================= Grid point 430 (217/300) ======================= q-point: (-0.27 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 1.369 2.320 3.453) 4.380 1.958 ( -7.138 -0.840 6.237) 9.516 2.116 ( -7.104 4.526 -3.040) 8.955 2.628 ( 5.066 3.053 -6.047) 8.458 3.280 ( -13.601 -2.050 10.623) 17.379 3.650 ( -6.741 -2.355 0.923) 7.200 3.982 ( 16.497 -6.302 -2.834) 17.886 4.489 ( 3.583 4.283 -4.238) 7.011 5.010 ( 1.081 -9.731 18.854) 21.245 5.358 ( -3.131 -3.075 11.347) 12.166 5.449 ( -3.710 2.183 4.422) 6.171 6.173 ( -2.647 4.748 5.537) 7.759 6.408 ( -3.976 6.375 -2.223) 7.835 7.033 ( 5.821 2.067 -13.318) 14.681 7.136 ( 6.038 -4.194 3.385) 8.094 7.341 ( -11.510 6.880 -8.041) 15.636 8.071 ( -4.453 4.338 1.291) 6.349 8.392 ( 9.718 9.802 -1.578) 13.893 9.240 ( -3.530 -15.968 10.879) 19.641 9.600 ( 5.410 -11.524 5.994) 14.072 11.189 ( 4.075 2.562 2.035) 5.226 11.539 ( 0.056 0.416 -7.574) 7.585 12.013 ( 4.301 -5.082 6.718) 9.458 12.544 ( 1.011 -1.573 -6.414) 6.681 13.028 ( -3.560 -7.876 -3.845) 9.459 13.428 ( 5.384 -2.226 -6.991) 9.100 14.626 ( -5.253 18.064 17.118) 25.434 15.131 ( 1.584 8.335 -1.665) 8.646 17.198 ( -8.370 -2.030 -3.368) 9.248 17.527 ( 11.676 1.047 -2.663) 12.022 18.513 ( 0.458 -10.975 11.627) 15.995 19.142 ( 0.698 0.020 -3.771) 3.835 20.923 ( -22.255 9.561 -1.383) 24.261 21.581 ( 14.733 8.828 0.572) 17.185 21.854 ( 7.362 -6.170 7.447) 12.154 22.273 ( -6.687 -3.232 -10.908) 13.196 ======================= Grid point 431 (218/300) ======================= q-point: (-0.18 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.273 -0.842 -2.427) 2.867 1.906 ( -12.452 0.634 3.970) 13.085 1.988 ( 2.460 4.775 -8.582) 10.125 2.603 ( 7.237 3.730 -0.666) 8.168 3.291 ( -11.698 -7.224 1.963) 13.888 3.658 ( -5.369 -3.705 1.923) 6.801 4.218 ( 9.557 -7.328 -4.491) 12.854 4.368 ( 7.998 10.002 -3.920) 13.393 5.150 ( 3.172 4.649 8.128) 9.886 5.338 ( -6.805 -6.071 0.356) 9.126 5.500 ( -6.017 -5.794 16.385) 18.392 6.006 ( -2.990 9.921 4.348) 11.238 6.395 ( 3.507 -2.554 6.114) 7.497 6.922 ( -3.407 9.578 -10.512) 14.624 7.223 ( -4.258 -3.459 -5.647) 7.873 7.298 ( 5.161 -7.748 2.929) 9.759 7.916 ( -6.032 8.252 -0.816) 10.254 8.275 ( 8.394 9.325 -2.633) 12.820 9.484 ( -1.133 -9.593 8.955) 13.172 9.809 ( 2.003 -5.941 6.247) 8.851 11.199 ( 2.653 -0.588 1.758) 3.236 11.511 ( 0.495 0.784 -6.926) 6.988 12.135 ( 2.676 -3.429 6.541) 7.855 12.502 ( -0.754 4.558 -2.826) 5.415 13.156 ( 0.725 -6.730 -4.741) 8.264 13.509 ( 3.403 -4.055 -4.658) 7.052 14.348 ( -7.230 10.279 18.732) 22.558 14.994 ( 2.935 7.231 -3.809) 8.683 17.184 ( -8.097 -4.139 -5.013) 10.384 17.673 ( 15.724 -5.252 2.902) 16.830 18.688 ( 0.218 -3.583 11.746) 12.282 19.143 ( 1.805 -1.018 -1.855) 2.781 20.545 ( -24.838 10.002 -2.610) 26.903 21.525 ( 14.905 9.968 4.225) 18.422 22.021 ( 0.954 -4.994 -0.735) 5.137 22.275 ( -2.057 -4.282 -6.902) 8.379 ======================= Grid point 432 (219/300) ======================= q-point: (-0.09 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -2.817 4.710 -6.607) 8.589 1.796 ( -1.439 -0.856 -3.319) 3.717 1.961 ( 1.985 -0.953 -6.685) 7.038 2.599 ( 8.489 3.607 2.358) 9.520 3.332 ( -10.167 -5.144 -1.772) 11.531 3.732 ( -2.964 -7.646 -0.301) 8.206 4.119 ( 3.548 12.117 -9.569) 15.842 4.502 ( 9.414 -8.636 0.683) 12.793 5.013 ( -5.143 7.214 3.649) 9.582 5.445 ( 1.148 -4.288 3.757) 5.816 5.592 ( -4.041 -4.299 11.840) 13.228 5.834 ( -1.198 7.615 9.516) 12.246 6.476 ( -2.563 0.785 -4.108) 4.906 6.720 ( 2.152 3.728 3.822) 5.757 7.290 ( -1.034 -5.547 -7.170) 9.124 7.497 ( 1.814 -10.093 2.170) 10.481 7.684 ( -6.642 10.619 -2.228) 12.722 8.180 ( 5.916 6.001 -2.949) 8.928 9.602 ( -0.854 -1.953 6.224) 6.579 9.865 ( -1.094 1.603 8.013) 8.245 11.255 ( 0.144 -3.536 1.681) 3.918 11.503 ( 1.444 -0.621 -3.505) 3.841 12.204 ( 3.295 0.157 3.416) 4.749 12.373 ( -2.866 6.156 -0.473) 6.807 13.236 ( 0.951 -2.127 -3.579) 4.271 13.587 ( -0.655 -3.429 -1.781) 3.919 14.235 ( -4.575 1.495 15.887) 16.600 14.912 ( 3.801 3.098 -4.331) 6.543 17.204 ( -7.945 -5.908 -5.922) 11.537 17.947 ( 16.026 -9.364 6.585) 19.695 18.666 ( -5.149 6.118 12.132) 14.530 19.212 ( 4.407 -3.294 -3.579) 6.563 20.229 ( -19.534 3.918 -1.122) 19.955 21.457 ( 14.800 10.845 5.515) 19.158 22.019 ( -10.558 -1.575 -8.230) 13.479 22.383 ( 5.876 -5.068 -1.459) 7.895 ======================= Grid point 439 (220/300) ======================= q-point: (-0.45 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -6.095 -0.000 20.405) 21.296 1.868 ( -3.315 -0.000 12.490) 12.922 2.383 ( -1.726 -0.000 -2.598) 3.119 2.784 ( -10.762 -0.000 -5.221) 11.962 3.310 ( -8.823 -0.000 -2.587) 9.195 3.634 ( 20.182 0.000 -2.571) 20.346 3.874 ( -3.502 -0.000 14.898) 15.304 4.177 ( -10.932 -0.000 15.102) 18.644 4.629 ( -5.454 -0.000 5.403) 7.677 5.269 ( 9.510 0.000 31.008) 32.434 5.539 ( 3.762 0.000 -4.487) 5.856 6.199 ( 0.373 0.000 9.523) 9.530 6.761 ( -7.468 -0.000 -21.072) 22.356 7.121 ( 4.066 0.000 -9.389) 10.232 7.329 ( -0.612 -0.000 -6.261) 6.291 7.803 ( -9.057 -0.000 -12.407) 15.361 7.991 ( -3.504 -0.000 15.145) 15.545 8.554 ( -8.808 -0.000 13.124) 15.806 8.590 ( 8.881 0.000 -0.565) 8.899 9.047 ( 8.728 0.000 2.765) 9.155 11.334 ( 5.261 0.000 9.475) 10.838 11.469 ( 6.358 0.000 -0.468) 6.375 12.020 ( 8.864 0.000 -12.123) 15.018 12.024 ( -4.953 -0.000 -11.084) 12.140 12.972 ( -13.642 -0.000 -1.869) 13.769 13.350 ( 5.950 0.000 -10.647) 12.197 15.375 ( -1.491 -0.000 4.046) 4.312 15.487 ( 6.971 0.000 3.606) 7.849 17.447 ( -3.870 -0.000 -3.892) 5.489 17.616 ( 5.549 0.000 0.544) 5.576 17.887 ( -8.915 -0.000 10.610) 13.858 18.980 ( 4.761 0.000 -8.269) 9.542 21.254 ( -7.005 -0.000 1.600) 7.185 21.554 ( 2.959 0.000 3.742) 4.771 22.043 ( -5.994 -0.000 -9.246) 11.019 22.109 ( 5.976 0.000 -0.202) 5.979 ======================= Grid point 440 (221/300) ======================= q-point: (-0.36 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -7.428 2.123 12.803) 14.953 1.925 ( -3.526 -3.440 15.175) 15.954 2.299 ( -7.432 6.074 1.276) 9.683 2.667 ( -4.996 1.935 -6.208) 8.200 3.299 ( -7.413 -2.896 -0.615) 7.983 3.694 ( 3.710 6.334 9.862) 12.294 3.867 ( 9.402 0.099 -0.469) 9.414 4.267 ( -5.331 -11.669 11.688) 17.355 4.656 ( -8.650 -6.256 11.136) 15.426 5.365 ( 6.283 2.951 29.637) 30.439 5.556 ( 3.499 0.431 -4.041) 5.363 6.221 ( 1.094 0.417 7.342) 7.435 6.626 ( -12.420 2.014 -22.774) 26.019 7.123 ( 7.134 2.276 -9.042) 11.740 7.210 ( 1.947 7.996 1.754) 8.415 7.643 ( -9.043 6.525 -12.101) 16.455 8.085 ( -3.969 -5.751 8.009) 10.629 8.572 ( -0.450 -4.829 7.929) 9.295 8.675 ( 2.055 -3.629 2.860) 5.057 9.194 ( 9.062 -7.465 3.950) 12.387 11.363 ( 8.184 4.067 6.150) 11.015 11.514 ( 2.193 -0.315 -1.000) 2.431 11.911 ( 3.324 1.430 -6.825) 7.725 12.228 ( 4.948 -12.000 -12.295) 17.878 12.881 ( -10.335 -0.824 -0.268) 10.372 13.382 ( 6.295 -0.691 -9.030) 11.029 15.310 ( -0.152 9.333 4.663) 10.434 15.419 ( 3.203 9.920 3.686) 11.057 17.302 ( -2.663 7.954 1.304) 8.489 17.659 ( 7.132 3.287 -8.532) 11.596 18.005 ( -3.786 -14.200 16.262) 21.919 19.044 ( 3.952 -4.201 -8.322) 10.125 21.162 ( -11.649 3.253 1.421) 12.178 21.616 ( 5.571 -2.757 3.042) 6.920 21.916 ( -3.986 4.894 -4.681) 7.859 22.173 ( 1.681 -1.726 -4.026) 4.692 ======================= Grid point 441 (222/300) ======================= q-point: (-0.27 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -7.282 0.667 8.546) 11.247 1.971 ( 0.128 1.603 10.047) 10.174 2.102 ( -12.575 4.248 2.087) 13.436 2.632 ( -2.123 -1.586 -7.561) 8.012 3.246 ( -6.577 3.279 8.418) 11.174 3.613 ( -3.064 2.427 6.599) 7.670 3.990 ( 12.372 -3.900 -4.215) 13.640 4.475 ( 0.579 -7.561 3.941) 8.546 4.780 ( -9.831 -12.606 17.168) 23.459 5.402 ( 2.245 2.378 21.330) 21.579 5.531 ( 3.221 5.226 -0.670) 6.175 6.221 ( -1.798 1.529 4.642) 5.207 6.428 ( -10.025 3.301 -13.945) 17.489 7.092 ( 5.710 3.024 -14.239) 15.637 7.163 ( 3.148 1.651 6.600) 7.497 7.405 ( -6.273 9.031 -8.477) 13.884 8.101 ( -3.851 1.419 2.931) 5.043 8.612 ( 9.009 6.214 -2.854) 11.310 8.888 ( -5.451 -19.079 9.376) 21.946 9.449 ( 7.478 -11.214 5.738) 14.650 11.329 ( 7.614 6.657 2.670) 10.460 11.522 ( 0.372 -0.616 -4.531) 4.588 11.972 ( 4.625 -4.056 0.809) 6.205 12.444 ( 4.112 -8.740 -9.795) 13.757 12.871 ( -4.012 -5.023 -0.689) 6.466 13.427 ( 5.978 -0.967 -6.963) 9.228 15.000 ( -4.198 21.633 12.112) 25.145 15.290 ( 2.084 7.555 0.033) 7.837 17.175 ( -1.874 4.223 0.816) 4.691 17.637 ( 9.140 2.671 -3.418) 10.117 18.312 ( 2.796 -14.589 12.890) 19.667 19.119 ( 2.346 -2.497 -7.029) 7.819 20.935 ( -19.438 9.072 -0.781) 21.465 21.737 ( 7.885 -1.903 -3.502) 8.836 21.836 ( -0.658 -0.942 4.970) 5.101 22.179 ( -0.713 -0.079 -5.865) 5.908 ======================= Grid point 442 (223/300) ======================= q-point: (-0.18 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -5.694 -0.161 3.705) 6.796 1.872 ( -7.525 4.404 6.118) 10.652 2.038 ( -0.463 0.501 -3.187) 3.260 2.633 ( -3.475 -2.232 -6.003) 7.287 3.167 ( -5.123 1.281 9.816) 11.146 3.597 ( -1.129 -0.933 2.831) 3.187 4.157 ( 8.380 -5.830 -2.990) 10.638 4.522 ( 0.619 2.334 1.260) 2.724 5.034 ( -6.534 -15.845 15.415) 23.051 5.340 ( -0.186 8.583 -10.887) 13.865 5.476 ( 0.299 1.416 22.341) 22.388 6.137 ( -3.147 5.231 1.850) 6.378 6.366 ( -1.937 -2.237 0.327) 2.977 7.011 ( -5.008 7.125 -13.790) 16.310 7.124 ( -4.477 -1.598 -6.072) 7.712 7.312 ( 9.662 1.369 6.141) 11.530 8.008 ( -4.151 5.727 0.338) 7.082 8.511 ( 7.344 9.973 -4.007) 13.017 9.230 ( -2.436 -17.907 5.925) 19.019 9.703 ( 3.897 -9.285 7.003) 12.265 11.276 ( 5.835 4.581 1.878) 7.653 11.516 ( 1.254 0.774 -6.021) 6.198 12.091 ( 2.668 -4.624 3.771) 6.536 12.528 ( -0.238 -0.600 -4.584) 4.630 13.009 ( 3.850 -9.359 -4.725) 11.169 13.478 ( 4.585 -1.533 -4.718) 6.755 14.597 ( -8.631 18.621 18.327) 27.516 15.158 ( 3.153 8.380 -2.988) 9.439 17.114 ( -1.103 1.366 -1.091) 2.067 17.715 ( 12.036 -2.591 2.726) 12.610 18.606 ( 5.766 -9.901 11.239) 16.050 19.141 ( 1.770 -0.300 -4.676) 5.009 20.556 ( -24.481 12.083 -2.635) 27.427 21.736 ( 2.134 2.420 -0.117) 3.229 21.950 ( 3.645 -3.035 -1.341) 4.929 22.178 ( 1.194 -3.035 -2.978) 4.416 ======================= Grid point 443 (224/300) ======================= q-point: (-0.09 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -4.352 -1.516 -1.773) 4.938 1.779 ( -5.527 1.201 2.918) 6.365 2.006 ( 4.715 3.140 -9.009) 10.643 2.637 ( -4.138 -2.336 -1.946) 5.135 3.184 ( -1.900 -4.151 3.180) 5.564 3.632 ( 0.964 -2.349 2.464) 3.538 4.250 ( 0.564 1.638 -6.798) 7.016 4.487 ( 3.512 0.385 4.271) 5.543 5.132 ( -1.499 8.875 -10.383) 13.742 5.284 ( -5.230 -12.506 12.438) 18.397 5.540 ( 1.354 -2.250 16.266) 16.476 6.006 ( -0.335 8.463 6.827) 10.878 6.430 ( -1.309 -3.661 -1.348) 4.115 6.778 ( -9.272 5.505 -5.689) 12.192 7.174 ( 0.848 -5.199 -6.509) 8.374 7.414 ( 7.263 -2.747 5.241) 9.368 7.830 ( -4.413 9.671 -1.519) 10.738 8.363 ( 4.978 9.722 -4.188) 11.698 9.497 ( -0.579 -10.576 3.490) 11.152 9.855 ( -0.551 -3.766 8.261) 9.095 11.262 ( 4.222 1.976 2.545) 5.311 11.501 ( 1.828 0.161 -5.104) 5.424 12.189 ( 1.346 -3.614 3.448) 5.173 12.461 ( -3.380 5.164 -2.655) 6.719 13.188 ( 6.518 -5.630 -5.423) 10.178 13.530 ( 1.806 -2.237 -2.842) 4.043 14.312 ( -8.674 8.922 20.093) 23.634 15.032 ( 4.214 7.012 -4.571) 9.371 17.097 ( -0.737 -0.675 -2.446) 2.642 17.915 ( 12.058 -7.385 7.102) 15.824 18.744 ( 0.005 1.663 11.023) 11.148 19.185 ( 6.133 -3.058 -4.737) 8.331 20.176 ( -21.417 7.592 -1.486) 22.771 21.702 ( 1.550 3.401 4.090) 5.540 21.921 ( -3.389 2.847 -9.755) 10.712 22.315 ( 5.884 -6.719 0.142) 8.932 ======================= Grid point 451 (225/300) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -9.970 -0.000 9.440) 13.730 1.827 ( -7.514 -0.000 18.398) 19.873 2.319 ( -8.079 -0.000 3.337) 8.742 2.640 ( -6.706 -0.000 0.051) 6.707 3.231 ( 2.007 0.000 -6.346) 6.656 3.895 ( 15.502 0.000 -3.040) 15.797 3.905 ( -0.489 -0.000 12.750) 12.760 4.073 ( -11.829 -0.000 17.911) 21.465 4.556 ( -8.909 -0.000 11.748) 14.744 5.507 ( 3.624 0.000 29.860) 30.079 5.559 ( 1.982 0.000 -5.644) 5.982 6.268 ( 4.797 0.000 3.947) 6.212 6.494 ( -13.093 -0.000 -23.863) 27.219 7.177 ( 7.171 0.000 -14.323) 16.018 7.314 ( 0.305 0.000 4.952) 4.962 7.593 ( -12.062 -0.000 -10.261) 15.836 8.008 ( -1.378 -0.000 11.801) 11.881 8.489 ( -6.390 -0.000 10.359) 12.172 8.714 ( 8.532 0.000 -3.957) 9.405 9.206 ( 9.649 0.000 4.079) 10.476 11.459 ( 6.174 0.000 6.488) 8.956 11.569 ( 6.084 0.000 -1.174) 6.196 11.919 ( -1.709 -0.000 -10.025) 10.169 12.129 ( 11.986 0.000 -10.582) 15.989 12.802 ( -8.033 -0.000 1.199) 8.122 13.409 ( 7.000 0.000 -7.571) 10.311 15.380 ( 0.216 0.000 2.329) 2.339 15.578 ( 3.501 0.000 0.575) 3.548 17.423 ( 2.605 0.000 -2.775) 3.806 17.729 ( 7.763 0.000 -6.886) 10.377 17.844 ( -2.772 -0.000 24.315) 24.473 19.015 ( 4.556 0.000 -8.243) 9.418 21.113 ( -11.843 -0.000 1.237) 11.908 21.625 ( 3.858 0.000 1.781) 4.250 21.864 ( -11.847 -0.000 -8.923) 14.832 22.203 ( 5.972 0.000 0.331) 5.981 ======================= Grid point 452 (226/300) ======================= q-point: (-0.27 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -11.504 1.973 10.783) 15.890 1.903 ( -6.875 -6.380 11.555) 14.883 2.179 ( -9.987 7.754 7.212) 14.556 2.571 ( -6.450 1.272 -1.265) 6.694 3.274 ( 5.668 -0.745 -4.019) 6.988 3.738 ( -3.914 10.618 16.083) 19.665 4.007 ( 9.014 -2.056 -4.596) 10.325 4.268 ( -2.230 -15.016 14.083) 20.707 4.562 ( -10.342 -5.465 14.150) 18.358 5.494 ( -0.594 3.351 8.660) 9.304 5.635 ( 4.544 -0.882 12.694) 13.511 6.260 ( -1.715 4.457 -3.982) 6.218 6.341 ( -9.091 0.131 -15.389) 17.874 7.157 ( 4.022 2.879 -15.366) 16.142 7.252 ( -1.709 6.105 3.850) 7.417 7.490 ( -2.737 2.435 -4.653) 5.922 8.067 ( -2.229 -2.817 6.707) 7.608 8.555 ( -4.616 -10.694 9.746) 15.187 8.759 ( 7.320 1.559 -5.193) 9.110 9.349 ( 8.405 -6.735 4.891) 11.829 11.520 ( 2.049 0.527 -1.678) 2.700 11.523 ( 7.322 6.103 1.525) 9.653 11.931 ( 3.277 -2.929 -4.693) 6.429 12.298 ( 9.516 -8.716 -9.079) 15.778 12.780 ( -2.797 -2.286 1.799) 4.035 13.451 ( 6.908 -0.298 -5.881) 9.077 15.315 ( -1.375 10.053 2.707) 10.502 15.464 ( 0.826 10.782 1.261) 10.887 17.321 ( 4.024 9.460 2.831) 10.663 17.729 ( 3.856 1.650 -2.027) 4.658 18.104 ( 9.176 -14.675 16.496) 23.909 19.067 ( 3.797 -3.240 -7.985) 9.417 20.951 ( -16.195 7.111 -0.028) 17.687 21.668 ( -5.805 -3.881 -11.306) 13.289 21.791 ( -2.050 -2.187 4.919) 5.761 22.227 ( 5.039 2.048 -0.197) 5.443 ======================= Grid point 453 (227/300) ======================= q-point: (-0.18 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -11.106 -0.917 8.344) 13.921 1.926 ( -12.844 2.876 6.368) 14.622 2.028 ( 2.199 1.198 6.834) 7.278 2.501 ( -11.137 -1.843 -4.038) 11.989 3.271 ( 4.577 5.850 6.186) 9.667 3.618 ( -0.074 2.564 8.202) 8.594 4.115 ( 6.038 -4.029 -2.501) 7.678 4.478 ( -3.221 -5.441 5.219) 8.199 4.712 ( -8.468 -15.541 18.571) 25.654 5.443 ( 0.467 3.495 -3.073) 4.677 5.640 ( 3.924 7.696 16.753) 18.849 6.129 ( -7.979 -0.398 -9.676) 12.548 6.307 ( -2.649 -1.160 0.206) 2.899 7.054 ( -13.250 6.402 -7.169) 16.369 7.111 ( 4.791 3.742 -13.202) 14.534 7.467 ( 10.520 3.812 6.861) 13.126 8.057 ( -3.246 2.411 1.744) 4.403 8.713 ( 6.622 6.539 -6.337) 11.260 8.854 ( -3.410 -19.978 6.396) 21.253 9.572 ( 5.051 -9.568 5.913) 12.330 11.415 ( 2.585 5.235 -3.886) 7.014 11.560 ( 6.632 2.381 1.243) 7.156 12.025 ( 2.518 -4.748 -0.993) 5.466 12.467 ( 2.436 -4.954 -5.519) 7.806 12.881 ( 6.418 -7.474 -1.327) 9.941 13.494 ( 5.782 -0.188 -4.179) 7.137 14.953 ( -8.973 22.477 12.493) 27.236 15.322 ( 2.467 7.504 -2.409) 8.258 17.214 ( 5.912 6.912 3.497) 9.744 17.759 ( 5.763 -1.243 3.486) 6.849 18.489 ( 14.234 -12.886 11.808) 22.541 19.126 ( 2.719 -1.877 -7.099) 7.830 20.604 ( -22.769 13.141 -2.802) 26.438 21.630 ( -14.072 -4.630 -10.172) 17.970 21.932 ( 8.234 -6.002 4.622) 11.189 22.211 ( 4.675 3.120 0.034) 5.621 ======================= Grid point 454 (228/300) ======================= q-point: (-0.09 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -8.199 -2.213 4.373) 9.552 1.783 ( -7.852 3.162 6.515) 10.681 2.063 ( 5.014 0.643 -4.062) 6.485 2.465 ( -13.978 -5.710 -4.111) 15.649 3.208 ( 2.767 4.134 10.199) 11.347 3.648 ( 6.618 -0.482 2.814) 7.207 4.215 ( 0.663 -3.601 -2.039) 4.191 4.499 ( -5.119 -0.367 4.873) 7.077 4.981 ( -7.583 -14.722 12.344) 20.654 5.322 ( 5.503 9.356 -12.728) 16.728 5.583 ( 0.221 2.370 20.524) 20.661 6.110 ( -0.641 0.189 -0.533) 0.855 6.329 ( -3.724 -3.769 0.383) 5.312 6.785 ( -14.376 7.554 -9.366) 18.747 7.098 ( 2.459 -1.819 -7.913) 8.484 7.512 ( 11.729 2.865 7.816) 14.383 7.949 ( -3.548 6.490 -0.511) 7.414 8.577 ( 4.244 10.366 -6.442) 12.921 9.220 ( -1.174 -18.858 2.230) 19.026 9.765 ( 0.010 -7.074 6.635) 9.698 11.365 ( 4.879 3.020 -0.090) 5.739 11.539 ( 4.196 3.697 -1.987) 5.934 12.122 ( 0.269 -4.519 0.743) 4.588 12.486 ( -3.191 1.153 -3.347) 4.766 13.107 ( 11.488 -8.742 -4.903) 15.246 13.526 ( 3.659 -0.144 -2.353) 4.353 14.524 ( -11.772 17.512 19.918) 29.017 15.192 ( 3.348 7.916 -4.927) 9.907 17.164 ( 7.482 4.950 2.304) 9.262 17.882 ( 6.008 -5.673 7.964) 11.476 18.782 ( 9.546 -3.515 11.069) 15.033 19.170 ( 6.844 -2.610 -7.367) 10.389 20.178 ( -22.779 11.346 -2.781) 25.600 21.585 ( -16.233 -4.575 -6.878) 18.214 22.045 ( 8.718 3.368 -1.781) 9.514 22.246 ( 4.962 -4.385 2.354) 7.028 ======================= Grid point 463 (229/300) ======================= q-point: (-0.27 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -15.492 -0.000 7.885) 17.383 1.800 ( -6.319 -0.000 16.876) 18.020 2.168 ( -13.297 -0.000 6.232) 14.685 2.563 ( -5.851 -0.000 4.674) 7.489 3.316 ( 12.454 0.000 -7.952) 14.776 3.966 ( 1.205 0.000 12.469) 12.527 3.968 ( -10.784 -0.000 18.985) 21.834 4.081 ( 7.125 0.000 3.022) 7.740 4.477 ( -7.595 -0.000 12.313) 14.467 5.560 ( 2.163 0.000 -7.153) 7.472 5.621 ( -4.064 -0.000 23.190) 23.543 6.180 ( -14.282 -0.000 -23.984) 27.915 6.376 ( 7.448 0.000 3.235) 8.120 7.178 ( 2.796 0.000 -17.306) 17.530 7.349 ( -14.706 -0.000 -8.459) 16.965 7.397 ( 5.034 0.000 10.606) 11.740 8.063 ( 2.335 0.000 10.319) 10.580 8.450 ( -4.294 -0.000 9.081) 10.045 8.808 ( 7.040 0.000 -8.092) 10.725 9.360 ( 7.896 0.000 4.295) 8.989 11.565 ( 5.189 0.000 1.892) 5.523 11.595 ( -0.836 -0.000 -6.092) 6.149 11.933 ( 7.480 0.000 -2.989) 8.055 12.278 ( 11.434 0.000 -6.299) 13.054 12.756 ( 1.566 0.000 2.669) 3.095 13.492 ( 7.117 0.000 -4.482) 8.411 15.395 ( 0.971 0.000 -0.315) 1.021 15.586 ( -2.392 -0.000 -2.444) 3.420 17.502 ( 8.876 0.000 -1.469) 8.997 17.720 ( -4.830 -0.000 6.354) 7.982 18.104 ( 21.566 0.000 17.911) 28.033 19.048 ( 4.097 0.000 -7.059) 8.162 20.917 ( -14.390 -0.000 0.922) 14.419 21.493 ( -19.118 -0.000 -17.832) 26.143 21.788 ( 3.910 0.000 8.704) 9.542 22.285 ( 4.549 0.000 0.221) 4.555 ======================= Grid point 464 (230/300) ======================= q-point: (-0.18 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -14.619 0.142 9.728) 17.560 1.826 ( -10.156 -3.157 12.172) 16.164 2.073 ( -7.630 1.123 7.782) 10.956 2.460 ( -8.393 5.345 3.160) 10.440 3.409 ( 13.236 0.918 -4.323) 13.954 3.736 ( -5.780 9.589 19.621) 22.591 4.093 ( 3.706 -2.226 -0.436) 4.345 4.299 ( -1.822 -14.126 12.384) 18.874 4.490 ( -6.160 -4.663 13.717) 15.743 5.490 ( -1.443 3.373 -0.089) 3.670 5.732 ( 0.101 -5.390 11.311) 12.530 6.012 ( -12.570 0.580 -21.064) 24.536 6.354 ( 3.230 6.898 5.262) 9.257 7.060 ( -11.686 6.706 -7.714) 15.525 7.201 ( 2.769 3.504 -13.571) 14.287 7.550 ( 6.045 -5.108 7.113) 10.641 8.083 ( 0.921 2.115 5.470) 5.936 8.537 ( -3.085 -11.213 9.647) 15.110 8.826 ( 5.368 1.982 -9.558) 11.140 9.478 ( 5.519 -5.749 4.381) 9.094 11.489 ( -0.630 4.648 -6.673) 8.156 11.652 ( 5.352 -1.124 1.727) 5.734 11.993 ( 7.077 -0.612 -1.509) 7.262 12.393 ( 5.529 -4.400 -3.938) 8.089 12.834 ( 9.423 -4.051 1.214) 10.328 13.533 ( 6.127 0.234 -3.356) 6.990 15.278 ( -5.677 15.082 2.712) 16.342 15.455 ( -1.166 6.646 -2.403) 7.162 17.446 ( 9.839 9.570 5.022) 14.616 17.752 ( -1.178 -2.810 5.502) 6.289 18.445 ( 26.463 -10.185 14.110) 31.672 19.090 ( 3.414 -2.462 -6.692) 7.906 20.674 ( -19.637 12.198 -2.353) 23.237 21.361 ( -21.450 -6.728 -14.651) 26.833 21.893 ( 6.596 -4.884 7.466) 11.095 22.298 ( 4.003 2.020 0.066) 4.484 ======================= Grid point 465 (231/300) ======================= q-point: (-0.09 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -11.610 -2.766 9.253) 15.102 1.768 ( -12.407 1.191 9.616) 15.743 2.088 ( 1.523 -2.428 4.877) 5.656 2.303 ( -11.505 2.475 -1.501) 11.863 3.380 ( 3.302 8.699 10.890) 14.324 3.701 ( 7.663 -1.115 5.385) 9.432 4.144 ( -1.946 -2.729 -0.224) 3.359 4.449 ( -1.805 -2.357 4.968) 5.788 4.682 ( -6.050 -15.181 17.167) 23.702 5.432 ( 0.713 2.169 -6.624) 7.007 5.732 ( -0.755 6.964 9.204) 11.566 5.996 ( -2.458 -8.068 -6.866) 10.876 6.269 ( -3.935 1.493 2.673) 4.986 6.798 ( -15.296 7.963 -8.337) 19.154 7.137 ( 5.490 4.198 -9.309) 11.594 7.672 ( 11.289 0.882 7.392) 13.522 8.019 ( -2.396 4.575 0.610) 5.201 8.753 ( 3.223 6.941 -9.734) 12.382 8.841 ( -1.725 -20.123 5.739) 20.997 9.643 ( 0.984 -7.402 4.468) 8.702 11.417 ( 1.545 1.778 -4.874) 5.413 11.676 ( 5.726 3.928 1.886) 7.196 12.056 ( 2.913 -2.340 -0.926) 3.849 12.456 ( -1.616 -1.216 -2.656) 3.339 13.044 ( 15.032 -7.740 -1.956) 17.020 13.558 ( 4.154 0.661 -2.352) 4.819 14.841 ( -13.232 22.217 14.576) 29.684 15.340 ( 2.085 6.706 -5.212) 8.746 17.382 ( 13.127 8.245 6.232) 16.707 17.827 ( 0.042 -4.589 8.368) 9.544 18.833 ( 21.052 -5.581 12.401) 25.062 19.154 ( 7.560 -3.301 -8.869) 12.112 20.233 ( -23.234 14.440 -4.600) 27.740 21.317 ( -20.216 -7.466 -10.241) 23.860 22.068 ( 6.907 -5.968 3.412) 9.745 22.281 ( 3.849 2.642 0.527) 4.698 ======================= Grid point 475 (232/300) ======================= q-point: (-0.18 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -16.388 -0.000 9.659) 19.023 1.756 ( -10.011 -0.000 15.870) 18.763 2.024 ( -7.399 -0.000 6.686) 9.972 2.476 ( -9.817 -0.000 8.477) 12.970 3.510 ( 16.758 0.000 -7.635) 18.415 3.902 ( -11.179 -0.000 28.642) 30.747 4.047 ( 1.846 0.000 13.614) 13.738 4.141 ( -0.148 -0.000 -0.589) 0.608 4.461 ( -0.076 -0.000 9.397) 9.397 5.567 ( 3.114 0.000 -9.586) 10.079 5.588 ( -10.043 -0.000 12.934) 16.375 5.869 ( -12.665 -0.000 -21.695) 25.122 6.523 ( 8.159 0.000 8.931) 12.096 7.078 ( -16.536 -0.000 -5.327) 17.373 7.132 ( 1.087 0.000 -16.251) 16.287 7.530 ( 6.114 0.000 10.096) 11.803 8.158 ( 4.701 0.000 6.134) 7.729 8.440 ( -2.589 -0.000 11.658) 11.942 8.850 ( 4.254 0.000 -12.732) 13.424 9.471 ( 4.317 0.000 3.125) 5.329 11.534 ( -2.049 -0.000 -7.142) 7.430 11.627 ( 2.591 0.000 -1.075) 2.805 12.075 ( 10.123 0.000 1.805) 10.282 12.390 ( 5.300 0.000 -2.035) 5.677 12.886 ( 13.757 0.000 1.509) 13.840 13.573 ( 5.166 0.000 -2.815) 5.883 15.404 ( 1.069 0.000 -2.771) 2.970 15.479 ( -9.946 -0.000 -3.056) 10.405 17.673 ( -6.419 -0.000 11.838) 13.467 17.676 ( 14.419 0.000 -0.457) 14.427 18.622 ( 36.706 0.000 15.233) 39.741 19.077 ( 2.885 0.000 -4.170) 5.071 20.692 ( -14.977 -0.000 -0.479) 14.985 21.029 ( -30.709 -0.000 -17.894) 35.542 21.910 ( 6.149 0.000 8.115) 10.181 22.341 ( 2.797 0.000 -0.081) 2.799 ======================= Grid point 476 (233/300) ======================= q-point: (-0.09 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -13.328 -2.183 12.046) 18.097 1.702 ( -12.546 0.116 12.957) 18.036 2.023 ( -3.683 -2.435 6.818) 8.123 2.349 ( -8.927 6.012 7.401) 13.062 3.593 ( 9.187 6.388 3.322) 11.672 3.758 ( -0.339 3.264 16.657) 16.977 4.101 ( -2.338 -0.178 -0.873) 2.502 4.333 ( -0.829 -14.822 14.361) 20.655 4.503 ( 1.214 -1.751 9.014) 9.262 5.441 ( -5.372 2.862 -1.959) 6.394 5.703 ( -8.497 -5.911 -6.103) 12.016 5.801 ( -1.616 -7.688 -9.784) 12.548 6.442 ( 3.960 13.798 9.506) 17.217 6.810 ( -15.693 8.066 -6.464) 18.791 7.211 ( 5.555 -1.834 -11.458) 12.865 7.672 ( 5.121 -7.414 8.212) 12.191 8.133 ( 3.085 6.569 1.537) 7.418 8.550 ( -1.406 -10.833 12.821) 16.844 8.832 ( 1.895 2.147 -13.738) 14.033 9.545 ( 1.210 -4.519 2.404) 5.260 11.460 ( 0.454 3.224 -5.087) 6.040 11.692 ( 0.213 -3.607 -1.740) 4.010 12.122 ( 8.601 3.014 2.432) 9.433 12.426 ( 0.611 -0.782 -1.340) 1.667 13.051 ( 17.254 -4.515 0.287) 17.837 13.594 ( 3.135 0.604 -2.727) 4.199 15.155 ( -12.571 18.656 5.491) 23.157 15.428 ( 0.126 2.311 -5.277) 5.763 17.620 ( 4.955 3.952 10.871) 12.584 17.787 ( 6.670 -0.609 3.851) 7.726 18.978 ( 27.799 -1.593 13.443) 30.920 19.132 ( 12.244 -4.727 -5.869) 14.377 20.333 ( -22.937 16.566 -6.596) 29.053 20.947 ( -24.203 -12.320 -11.384) 29.448 22.018 ( 5.398 -4.661 6.439) 9.609 22.345 ( 2.262 1.450 -0.281) 2.702 ======================= Grid point 487 (234/300) ======================= q-point: (-0.09 -0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -10.340 -0.000 13.763) 17.214 1.641 ( -11.653 -0.000 12.485) 17.078 2.009 ( -0.402 -0.000 9.453) 9.461 2.337 ( -14.050 -0.000 12.425) 18.756 3.738 ( 16.604 0.000 -6.430) 17.806 3.872 ( -10.125 -0.000 30.462) 32.100 4.089 ( -5.014 -0.000 -2.574) 5.636 4.132 ( 0.882 0.000 14.878) 14.904 4.554 ( 7.785 0.000 5.496) 9.530 5.449 ( -13.375 -0.000 7.958) 15.564 5.488 ( -7.854 -0.000 -19.297) 20.834 5.710 ( 4.033 0.000 -10.199) 10.968 6.638 ( -2.090 -0.000 -0.967) 2.303 6.874 ( -5.785 -0.000 14.642) 15.744 7.079 ( 1.496 0.000 -16.503) 16.571 7.662 ( 5.655 0.000 9.142) 10.750 8.233 ( 3.604 0.000 -2.097) 4.169 8.483 ( -0.289 -0.000 18.454) 18.456 8.821 ( 0.240 0.000 -17.202) 17.204 9.511 ( -0.365 -0.000 0.839) 0.915 11.492 ( 0.072 0.000 -4.847) 4.848 11.632 ( -1.052 -0.000 -1.888) 2.162 12.229 ( 8.033 0.000 3.883) 8.922 12.424 ( -0.179 -0.000 -0.500) 0.531 13.146 ( 18.573 0.000 1.074) 18.604 13.610 ( 1.095 0.000 -3.576) 3.740 15.276 ( -14.996 -0.000 0.104) 14.996 15.408 ( 1.535 0.000 -3.803) 4.101 17.631 ( -6.380 -0.000 13.763) 15.170 17.922 ( 17.720 0.000 -0.565) 17.729 19.092 ( -0.524 -0.000 1.284) 1.387 19.313 ( 45.549 0.000 8.997) 46.429 20.436 ( -36.520 -0.000 -15.549) 39.693 20.474 ( -11.712 -0.000 -3.804) 12.314 22.026 ( 4.355 0.000 7.450) 8.630 22.368 ( 0.847 0.000 -0.481) 0.974 ======================= Grid point 488 (235/300) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.095 0.000 8.143) 10.171 1.636 ( -7.280 -0.000 0.149) 7.281 2.297 ( 5.035 0.000 7.972) 9.429 2.359 ( -9.511 -0.000 2.733) 9.896 3.860 ( 14.045 0.000 -2.331) 14.237 3.866 ( -11.369 -0.000 -3.104) 11.785 4.419 ( -3.409 -0.000 21.584) 21.851 4.478 ( -4.953 -0.000 10.850) 11.927 4.694 ( 0.291 0.000 -1.790) 1.814 4.910 ( 3.087 0.000 -17.922) 18.186 5.448 ( -11.972 -0.000 8.138) 14.477 5.623 ( 11.911 0.000 -8.518) 14.643 6.454 ( -6.507 -0.000 5.309) 8.398 6.685 ( 3.915 0.000 -15.537) 16.023 7.634 ( 8.586 0.000 28.592) 29.853 7.941 ( 0.481 0.000 7.193) 7.209 8.113 ( -0.162 -0.000 -7.151) 7.153 8.223 ( -4.614 -0.000 -24.962) 25.385 9.006 ( 2.103 0.000 18.666) 18.784 9.330 ( -4.271 -0.000 -11.397) 12.171 11.483 ( 2.851 0.000 1.393) 3.173 11.532 ( -3.633 -0.000 -2.735) 4.547 12.396 ( -5.340 -0.000 0.990) 5.431 12.399 ( 4.788 0.000 1.042) 4.900 13.456 ( 15.848 0.000 0.842) 15.871 13.483 ( -9.837 -0.000 -2.276) 10.097 15.176 ( -10.050 -0.000 6.606) 12.027 15.318 ( 5.890 0.000 -6.347) 8.659 17.867 ( -7.701 -0.000 11.564) 13.894 18.072 ( 11.831 0.000 -7.722) 14.128 19.288 ( 2.994 0.000 13.197) 13.533 19.581 ( -21.461 -0.000 -13.584) 25.398 20.041 ( 25.624 0.000 4.111) 25.951 20.173 ( -7.969 -0.000 -7.580) 10.998 22.233 ( 1.586 0.000 5.264) 5.498 22.320 ( -1.652 -0.000 -2.990) 3.416 ======================= Grid point 489 (236/300) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.910 -1.973 1.934) 2.909 1.658 ( 8.577 -2.688 5.425) 10.499 2.166 ( -8.419 9.536 9.995) 16.178 2.356 ( 4.007 2.521 -0.984) 4.835 3.755 ( -11.822 1.507 -0.274) 11.921 3.967 ( 9.017 -0.195 -2.064) 9.253 4.264 ( -4.093 6.593 16.826) 18.529 4.550 ( 2.030 3.144 -5.265) 6.460 4.741 ( -4.820 -10.237 8.737) 14.296 5.027 ( 5.962 -8.724 -9.853) 14.448 5.439 ( -12.376 -7.155 8.804) 16.788 5.756 ( 12.122 -5.865 -8.419) 15.881 6.362 ( -3.588 6.746 6.031) 9.734 6.559 ( 6.019 12.529 -9.530) 16.853 7.711 ( 6.807 4.405 17.174) 18.991 7.917 ( -3.211 10.339 -16.080) 19.385 8.039 ( -0.317 -6.712 10.570) 12.525 8.263 ( -0.520 -4.975 -14.706) 15.533 9.102 ( 0.753 -4.864 18.055) 18.714 9.304 ( -5.106 -3.997 -10.820) 12.614 11.500 ( -4.954 -0.703 -2.538) 5.611 11.521 ( 2.438 -1.625 1.932) 3.510 12.294 ( -8.983 5.104 2.473) 10.623 12.416 ( 3.513 1.664 -0.460) 3.915 13.404 ( -10.500 -0.649 -3.765) 11.174 13.580 ( 12.760 -1.263 -1.523) 12.912 15.037 ( -8.752 8.365 10.786) 16.214 15.310 ( 6.386 4.627 -6.885) 10.468 17.859 ( -8.725 -2.801 8.595) 12.563 18.151 ( 10.358 -1.425 -8.254) 13.321 19.091 ( -22.896 13.421 9.032) 28.034 19.431 ( -2.083 1.270 -3.433) 4.212 20.127 ( 0.036 -1.757 -4.887) 5.193 20.366 ( 25.635 -6.796 -3.076) 26.698 22.251 ( -0.885 -0.005 4.446) 4.533 22.306 ( -1.483 -0.958 -2.959) 3.446 ======================= Grid point 490 (237/300) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.369 3.802 6.659) 8.025 1.782 ( 7.431 -1.627 0.974) 7.670 1.995 ( -3.197 2.418 8.438) 9.342 2.294 ( 4.673 6.013 -5.619) 9.464 3.634 ( -12.256 1.713 3.140) 12.767 3.963 ( 3.338 5.165 5.952) 8.558 4.187 ( -3.336 3.331 1.307) 4.892 4.537 ( 5.963 -1.195 -6.094) 8.609 4.888 ( -8.605 -7.933 4.963) 12.713 5.216 ( 7.117 -7.401 -2.468) 10.560 5.567 ( -11.190 -13.742 11.807) 21.295 5.941 ( 8.238 -5.281 -5.764) 11.357 6.171 ( -1.772 12.425 -0.220) 12.552 6.415 ( 14.149 6.079 -1.067) 15.437 7.628 ( -7.255 7.924 -13.572) 17.309 7.689 ( 5.551 9.792 8.256) 13.960 8.168 ( -0.746 -3.615 3.412) 5.027 8.272 ( 0.733 1.745 -4.942) 5.292 9.239 ( -5.712 -7.696 6.414) 11.532 9.393 ( 1.137 -9.586 1.054) 9.711 11.466 ( -6.676 -1.579 -3.424) 7.667 11.594 ( 3.367 -2.604 3.068) 5.247 12.108 ( -11.220 6.433 3.884) 13.504 12.399 ( 4.696 3.026 -1.533) 5.793 13.333 ( -10.189 -1.026 -3.836) 10.936 13.673 ( 7.030 -0.925 -4.423) 8.356 14.822 ( -6.723 10.712 15.725) 20.179 15.215 ( 6.084 8.786 -8.315) 13.541 17.824 ( -12.210 0.745 0.867) 12.263 18.241 ( 8.766 -1.834 -6.463) 11.045 18.735 ( -19.870 6.964 12.816) 24.649 19.367 ( 3.459 5.872 -4.820) 8.348 20.158 ( -2.036 -3.671 -7.667) 8.741 20.655 ( 22.925 -4.579 2.637) 23.526 22.224 ( -4.891 1.403 2.021) 5.474 22.332 ( 1.386 -2.354 -1.991) 3.380 ======================= Grid point 491 (238/300) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.809 8.284 10.918) 13.729 1.813 ( 2.874 0.879 -3.421) 4.554 2.048 ( 7.877 1.320 -3.492) 8.717 2.265 ( 6.734 -2.419 0.255) 7.160 3.525 ( -11.886 0.964 2.449) 12.174 3.893 ( 1.784 5.680 9.692) 11.374 4.069 ( -4.175 5.391 -6.545) 9.451 4.613 ( 4.252 -2.753 -6.519) 8.255 4.925 ( -9.716 -3.830 1.989) 10.631 5.392 ( 7.775 -5.405 3.993) 10.276 5.758 ( -9.476 -8.998 9.275) 16.024 5.948 ( 3.139 8.911 1.718) 9.603 6.034 ( 5.020 -2.547 -1.388) 5.798 6.558 ( 16.362 -6.062 -3.015) 17.708 7.391 ( -8.626 5.865 -11.945) 15.859 7.586 ( 2.998 7.695 6.929) 10.780 8.121 ( -3.477 5.816 -8.005) 10.487 8.221 ( 1.927 5.083 6.843) 8.739 9.349 ( -6.654 -9.453 -0.075) 11.560 9.631 ( 3.955 -11.224 8.631) 14.701 11.454 ( -5.991 -3.163 -2.807) 7.333 11.620 ( -1.157 3.415 0.631) 3.660 11.979 ( -5.636 -0.625 6.663) 8.749 12.376 ( 6.026 3.300 -1.943) 7.140 13.268 ( -9.205 -0.794 -2.871) 9.675 13.694 ( 0.176 0.405 -5.660) 5.677 14.642 ( -3.248 7.967 16.947) 19.006 15.059 ( 5.034 10.208 -8.460) 14.181 17.626 ( -15.105 7.823 -6.193) 18.102 18.307 ( 4.756 -0.846 -4.172) 6.383 18.628 ( -9.695 -2.604 17.489) 20.165 19.256 ( 3.475 7.057 -7.483) 10.857 20.188 ( -1.409 -2.682 -8.109) 8.656 20.912 ( 19.169 -5.470 6.997) 21.127 22.137 ( -8.240 2.785 0.314) 8.704 22.390 ( 3.275 -2.088 -2.211) 4.469 ======================= Grid point 492 (239/300) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.676 2.554 6.141) 6.685 1.797 ( 3.878 2.566 -4.162) 6.241 1.997 ( 2.513 5.145 -6.176) 8.422 2.460 ( 11.865 -7.337 2.442) 14.162 3.415 ( -11.458 1.898 -0.189) 11.616 3.840 ( -0.470 2.807 9.123) 9.556 3.917 ( -1.539 6.080 -9.543) 11.419 4.649 ( 2.374 0.089 -5.351) 5.854 4.923 ( -8.046 -3.134 1.993) 8.862 5.550 ( 8.321 -3.426 8.489) 12.371 5.761 ( -3.220 -0.787 -3.451) 4.785 5.890 ( 4.424 4.279 9.078) 10.968 6.178 ( -0.683 -8.008 1.366) 8.152 6.772 ( 11.305 -6.292 -3.456) 13.392 7.257 ( -7.667 0.436 -6.174) 9.854 7.487 ( 0.758 5.515 3.105) 6.375 7.918 ( -4.167 10.711 -4.897) 12.493 8.149 ( 2.278 4.676 3.954) 6.534 9.483 ( -3.857 -8.852 1.048) 9.712 9.865 ( 3.287 -8.724 8.459) 12.588 11.460 ( -6.915 2.319 0.084) 7.294 11.491 ( -1.966 1.513 -2.837) 3.769 12.053 ( 0.550 -5.438 6.748) 8.683 12.365 ( 5.720 2.301 -1.753) 6.410 13.214 ( -6.813 -0.650 -1.612) 7.031 13.646 ( -3.756 1.569 -4.388) 5.985 14.555 ( -0.948 3.767 14.266) 14.785 14.903 ( 4.225 8.165 -7.294) 11.735 17.343 ( -12.375 8.550 -7.081) 16.625 18.332 ( 2.402 0.319 -1.473) 2.835 18.683 ( -4.863 -3.973 15.954) 17.145 19.151 ( 2.063 4.316 -8.363) 9.634 20.195 ( -0.641 -0.422 -5.020) 5.078 21.187 ( 17.277 -7.640 7.203) 20.217 22.001 ( -11.421 3.654 -1.397) 12.072 22.437 ( 3.553 -0.563 -2.395) 4.321 ======================= Grid point 493 (240/300) ======================= q-point: ( 0.45 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.391 -2.775 -0.686) 2.885 1.761 ( 2.343 2.897 -3.344) 5.007 1.912 ( 0.681 3.487 -3.480) 4.973 2.654 ( 7.113 -3.931 1.602) 8.284 3.294 ( -6.202 2.757 -1.551) 6.962 3.766 ( -2.492 3.733 -3.156) 5.487 3.868 ( 2.140 -1.381 -0.971) 2.726 4.638 ( 0.955 1.365 -1.429) 2.195 4.926 ( -5.068 -2.146 1.411) 5.682 5.663 ( 6.954 0.182 9.009) 11.383 5.782 ( -0.790 -2.826 -0.932) 3.079 5.872 ( 1.913 1.124 2.055) 3.024 6.253 ( -5.286 -2.802 1.542) 6.179 6.964 ( 8.362 -4.811 2.122) 9.878 7.184 ( -4.907 1.369 -3.737) 6.318 7.428 ( -1.299 0.247 -1.107) 1.725 7.685 ( -2.846 8.977 -2.214) 9.674 8.126 ( 2.169 0.285 1.007) 2.408 9.596 ( -1.638 -4.730 1.083) 5.122 10.023 ( 1.392 -4.220 6.906) 8.213 11.321 ( -3.486 4.009 -0.718) 5.361 11.509 ( 0.016 -0.870 -0.719) 1.129 12.162 ( 0.505 -4.298 2.665) 5.082 12.365 ( 2.299 1.164 -0.153) 2.582 13.190 ( -1.813 -0.687 -1.258) 2.311 13.580 ( -2.865 1.589 -2.313) 4.011 14.533 ( -1.999 0.947 12.036) 12.238 14.811 ( 3.710 3.060 -6.715) 8.260 17.132 ( -5.851 4.748 -4.306) 8.678 18.327 ( 3.186 2.449 1.279) 4.217 18.749 ( -4.601 -3.973 11.541) 13.044 19.097 ( 1.346 1.250 -7.879) 8.090 20.172 ( -0.804 1.749 -0.160) 1.932 21.476 ( 15.423 -8.394 4.066) 18.024 21.827 ( -14.027 4.034 -2.813) 14.864 22.452 ( 2.734 1.054 -1.839) 3.459 ======================= Grid point 494 (241/300) ======================= q-point: (-0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.456 -3.713 -5.856) 6.949 1.735 ( -1.046 -0.728 -0.883) 1.550 1.879 ( 1.780 0.715 -0.836) 2.092 2.664 ( -6.505 3.671 0.533) 7.488 3.263 ( 4.772 -0.633 0.762) 4.873 3.718 ( 2.332 0.780 0.795) 2.584 3.942 ( 0.967 -5.878 -6.714) 8.976 4.609 ( -2.586 1.222 1.700) 3.327 4.930 ( -0.299 -0.426 0.026) 0.521 5.651 ( 1.125 6.122 7.142) 9.474 5.823 ( 0.034 -0.974 6.198) 6.274 5.903 ( -1.512 -4.629 -8.490) 9.787 6.251 ( -5.211 -1.500 2.204) 5.854 6.927 ( -4.351 10.058 4.576) 11.875 7.171 ( 6.855 2.094 -2.221) 7.504 7.468 ( -3.047 -6.138 -3.817) 7.844 7.628 ( 2.800 -4.183 2.469) 5.606 8.166 ( 0.259 -3.742 -2.544) 4.533 9.614 ( -0.454 2.406 -0.502) 2.499 10.056 ( -1.848 1.894 3.917) 4.727 11.297 ( 1.305 -2.604 1.423) 3.242 11.503 ( 2.761 2.553 -0.314) 3.773 12.222 ( -0.626 -1.868 -2.802) 3.425 12.344 ( -3.457 0.655 1.763) 3.936 13.202 ( 5.107 0.652 -2.252) 5.619 13.547 ( 0.074 0.476 0.414) 0.636 14.542 ( -4.683 -2.327 11.973) 13.065 14.818 ( 2.799 -2.499 -7.822) 8.676 17.081 ( 2.843 -1.106 0.443) 3.083 18.297 ( 3.952 4.289 4.047) 7.099 18.822 ( -5.073 -6.102 7.183) 10.703 19.074 ( 2.111 1.283 -8.122) 8.490 20.121 ( -1.510 3.142 4.257) 5.502 21.592 ( -14.729 3.456 -7.503) 16.887 21.772 ( 11.509 -6.559 3.416) 13.680 22.435 ( 1.418 2.146 -0.404) 2.603 ======================= Grid point 495 (242/300) ======================= q-point: (-0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -1.333 -4.404 -3.768) 5.947 1.761 ( -3.718 -3.687 -1.501) 5.447 1.904 ( 3.039 -1.416 0.915) 3.475 2.475 ( -12.684 7.226 0.472) 14.606 3.362 ( 7.290 -3.475 5.098) 9.551 3.767 ( 6.460 -1.370 3.753) 7.595 4.053 ( 0.399 -6.826 -9.545) 11.741 4.562 ( -5.936 0.848 3.580) 6.983 4.941 ( 4.698 0.734 -2.595) 5.417 5.535 ( -0.931 7.522 9.385) 12.064 5.840 ( -5.737 -3.301 0.810) 6.668 5.948 ( -0.161 -1.745 -7.425) 7.629 6.231 ( -3.924 1.064 -1.533) 4.345 6.694 ( -8.915 8.287 3.831) 12.760 7.151 ( 6.322 4.709 2.263) 8.202 7.576 ( 2.072 -6.898 -3.244) 7.900 7.802 ( 2.384 -8.722 4.687) 10.184 8.262 ( -0.492 -7.743 -6.097) 9.868 9.498 ( 0.828 9.862 -0.398) 9.904 9.953 ( -4.633 6.438 0.453) 7.945 11.420 ( 4.446 -4.573 3.733) 7.390 11.472 ( 4.925 1.088 -1.345) 5.220 12.181 ( -0.987 4.353 -4.341) 6.226 12.332 ( -6.871 -3.561 0.383) 7.749 13.223 ( 10.758 3.059 -2.367) 11.432 13.562 ( 1.755 -0.501 2.908) 3.434 14.616 ( -6.519 -7.714 12.147) 15.797 14.896 ( 1.469 -6.005 -9.493) 11.328 17.215 ( 11.339 -6.560 4.843) 13.967 18.246 ( 2.319 5.144 6.521) 8.623 18.932 ( -3.214 -7.997 3.459) 9.287 19.040 ( 3.128 2.495 -8.716) 9.591 20.060 ( -1.909 3.216 6.974) 7.914 21.357 ( -18.725 5.264 -8.401) 21.187 21.989 ( 11.105 -5.967 0.207) 12.608 22.395 ( 0.003 2.755 1.268) 3.032 ======================= Grid point 496 (243/300) ======================= q-point: (-0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -5.136 -2.363 4.612) 7.296 1.795 ( -5.991 -4.001 -0.948) 7.266 1.993 ( 4.587 -5.901 -2.099) 7.763 2.259 ( -11.259 5.513 1.469) 12.622 3.505 ( 7.222 -4.483 6.093) 10.459 3.863 ( 5.709 -2.785 4.156) 7.591 4.129 ( -0.541 -2.575 -3.837) 4.653 4.514 ( -6.177 -0.239 2.767) 6.773 4.953 ( 6.273 2.369 -3.195) 7.428 5.402 ( -2.958 7.722 5.763) 10.079 5.891 ( 5.582 7.282 -7.887) 12.099 5.914 ( -6.321 -7.989 5.561) 11.606 6.142 ( -6.292 1.870 -8.309) 10.589 6.520 ( -14.528 2.154 1.158) 14.733 7.163 ( 8.734 -0.007 7.670) 11.623 7.727 ( 2.133 -8.319 -4.919) 9.897 7.958 ( 1.945 -4.642 6.823) 8.479 8.391 ( -1.081 -7.653 -9.009) 11.870 9.289 ( 2.362 13.720 4.317) 14.576 9.774 ( -5.207 8.154 -3.481) 10.282 11.416 ( 5.448 3.502 0.535) 6.499 11.625 ( 3.046 -6.667 0.411) 7.341 12.090 ( 2.364 3.129 -3.289) 5.119 12.352 ( -6.416 -3.882 -0.519) 7.517 13.246 ( 13.955 4.136 -0.711) 14.572 13.589 ( 0.406 -0.410 3.658) 3.703 14.776 ( -7.214 -12.138 11.415) 18.157 15.013 ( 0.932 -7.944 -10.557) 13.245 17.487 ( 16.950 -8.939 6.640) 20.280 18.168 ( -1.413 5.618 8.787) 10.525 18.995 ( 9.055 3.023 -15.524) 18.224 19.091 ( -3.912 -9.989 6.902) 12.756 20.011 ( -1.509 2.235 7.758) 8.213 21.085 ( -20.019 6.378 -8.688) 22.736 22.150 ( 8.094 -3.506 -0.742) 8.852 22.343 ( -0.796 2.686 2.049) 3.471 ======================= Grid point 497 (244/300) ======================= q-point: (-0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -5.070 1.810 8.329) 9.918 1.791 ( -9.030 -1.097 2.608) 9.463 2.136 ( -0.117 -0.224 0.200) 0.322 2.186 ( -2.393 -10.518 -0.451) 10.796 3.653 ( 9.781 -3.098 3.050) 10.704 3.959 ( -1.155 -4.128 1.781) 4.642 4.134 ( -0.852 0.413 8.698) 8.750 4.505 ( -3.247 -2.808 -1.667) 4.605 4.911 ( 3.720 7.127 3.609) 8.812 5.226 ( -5.049 7.883 -3.962) 10.165 5.720 ( 3.230 10.782 -0.723) 11.278 5.904 ( -4.487 11.492 -4.255) 13.050 6.192 ( -2.231 -15.454 -3.074) 15.914 6.452 ( -13.546 -7.745 -2.853) 15.863 7.309 ( 10.670 -4.168 12.402) 16.883 7.882 ( 0.276 -8.801 -7.571) 11.613 8.018 ( 1.433 1.488 9.101) 9.332 8.451 ( -2.688 -2.377 -12.935) 13.424 9.088 ( 3.306 11.357 12.125) 16.939 9.578 ( -4.145 7.481 -7.797) 11.573 11.416 ( 5.654 1.210 0.923) 5.855 11.665 ( -3.142 1.322 -3.222) 4.691 12.151 ( 9.160 -4.528 0.073) 10.218 12.375 ( -4.740 -3.325 0.023) 5.790 13.284 ( 15.537 3.841 0.952) 16.034 13.591 ( -3.248 -0.134 2.631) 4.182 14.979 ( -7.879 -12.877 9.707) 17.948 15.148 ( 1.566 -7.790 -10.405) 13.092 17.781 ( 17.471 -6.102 4.449) 19.033 18.060 ( -4.800 5.502 10.175) 12.524 19.017 ( 10.947 -1.110 -10.362) 15.114 19.281 ( 0.929 -10.941 0.901) 11.017 19.988 ( -0.475 1.344 7.383) 7.519 20.774 ( -21.439 8.557 -7.760) 24.353 22.222 ( 3.947 1.080 2.248) 4.669 22.315 ( 0.581 -0.163 -0.530) 0.804 ======================= Grid point 498 (245/300) ======================= q-point: (-0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.105 2.925 8.278) 8.780 1.717 ( -9.304 1.337 1.265) 9.485 2.193 ( 0.323 -4.789 7.966) 9.300 2.351 ( -3.325 -7.195 -1.089) 8.001 3.765 ( 12.716 0.356 -0.580) 12.734 3.956 ( -8.389 -0.149 -2.512) 8.758 4.225 ( -0.930 -8.010 18.202) 19.909 4.554 ( 0.374 -3.023 -3.163) 4.391 4.757 ( -3.073 10.101 11.589) 15.677 5.039 ( -1.225 7.502 -14.266) 16.165 5.573 ( -5.403 5.811 4.662) 9.203 5.647 ( 2.911 9.373 -6.779) 11.928 6.419 ( -5.301 -9.062 0.144) 10.500 6.569 ( -1.964 -11.802 -9.216) 15.103 7.490 ( 10.158 -2.412 19.995) 22.557 7.970 ( 3.056 4.899 8.465) 10.247 8.026 ( -3.314 -8.205 -7.502) 11.601 8.377 ( -3.646 3.761 -18.441) 19.170 8.993 ( 3.008 5.161 17.440) 18.435 9.420 ( -3.344 4.146 -10.553) 11.822 11.451 ( 4.415 -0.204 1.211) 4.583 11.587 ( -3.488 2.355 -3.489) 5.467 12.310 ( 7.503 -4.108 1.377) 8.665 12.401 ( -3.222 -2.441 0.313) 4.055 13.350 ( 16.303 2.252 1.618) 16.537 13.554 ( -7.207 0.142 0.287) 7.214 15.144 ( -9.358 -9.288 7.565) 15.201 15.260 ( 3.676 -4.112 -8.884) 10.457 17.924 ( -2.959 2.418 10.584) 11.252 17.993 ( 10.506 0.343 -1.731) 10.653 19.155 ( 9.448 -5.074 3.171) 11.183 19.509 ( 4.495 -12.059 -10.857) 16.837 19.979 ( 2.087 2.288 7.799) 8.392 20.417 ( -20.002 10.372 -6.443) 23.434 22.219 ( 2.307 1.498 4.805) 5.536 22.329 ( 0.159 -0.503 -2.544) 2.598 ======================= Grid point 500 (246/300) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.271 -0.000 0.195) 0.334 1.753 ( 15.920 0.000 5.729) 16.919 2.225 ( -9.715 -0.000 4.015) 10.512 2.406 ( 4.379 0.000 7.951) 9.077 3.668 ( -12.099 -0.000 -5.459) 13.274 4.016 ( 6.314 0.000 -0.629) 6.345 4.410 ( -6.915 -0.000 5.230) 8.671 4.453 ( -5.210 -0.000 27.864) 28.347 4.713 ( 4.507 0.000 -9.116) 10.170 4.944 ( 7.925 0.000 -9.380) 12.279 5.301 ( -12.170 -0.000 9.267) 15.297 5.790 ( 15.291 0.000 -9.732) 18.125 6.420 ( -3.101 -0.000 11.014) 11.442 6.715 ( 8.315 0.000 -13.388) 15.760 7.866 ( 5.263 0.000 25.974) 26.502 7.876 ( -8.850 -0.000 -12.602) 15.399 8.091 ( 2.302 0.000 -8.424) 8.733 8.126 ( 3.020 0.000 -8.436) 8.960 9.102 ( -0.324 -0.000 18.787) 18.790 9.196 ( -6.617 -0.000 -11.434) 13.211 11.452 ( -5.154 -0.000 -1.917) 5.500 11.517 ( 0.250 0.000 2.230) 2.244 12.280 ( -10.185 -0.000 1.357) 10.275 12.433 ( -0.874 -0.000 0.507) 1.010 13.306 ( -9.911 -0.000 -6.697) 11.961 13.652 ( 9.473 0.000 -2.615) 9.828 15.085 ( -5.799 -0.000 9.271) 10.935 15.389 ( 5.915 0.000 -3.527) 6.887 17.787 ( -8.254 -0.000 7.650) 11.254 18.174 ( 6.527 0.000 -11.135) 12.907 19.148 ( -26.296 -0.000 -2.621) 26.427 19.208 ( -19.913 -0.000 12.913) 23.734 20.238 ( 19.317 0.000 -5.597) 20.112 20.497 ( 30.281 0.000 -5.980) 30.866 22.259 ( -1.113 -0.000 5.121) 5.240 22.262 ( -4.027 -0.000 -3.657) 5.439 ======================= Grid point 501 (247/300) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.724 -4.405 0.581) 5.797 1.898 ( 17.431 0.937 3.316) 17.768 2.076 ( -7.029 7.147 9.071) 13.519 2.417 ( 3.273 4.131 0.905) 5.347 3.557 ( -12.858 0.604 -2.879) 13.190 4.049 ( 0.561 0.311 3.064) 3.131 4.257 ( -3.024 6.306 6.276) 9.397 4.564 ( -1.382 0.289 10.528) 10.622 4.715 ( -0.207 -4.932 -3.651) 6.140 5.100 ( 7.029 -9.083 -4.157) 12.215 5.307 ( -10.237 -8.033 12.166) 17.814 5.927 ( 15.596 -3.693 -9.881) 18.828 6.361 ( -1.120 7.168 8.924) 11.501 6.655 ( 10.416 9.037 -6.355) 15.184 7.676 ( -9.128 7.136 -16.484) 20.148 7.935 ( 5.421 10.533 3.893) 12.470 8.052 ( -0.931 -7.987 5.678) 9.844 8.256 ( 3.538 -4.439 -1.927) 5.994 9.113 ( -6.600 -1.811 0.249) 6.848 9.233 ( -1.231 -8.193 7.502) 11.177 11.399 ( -6.130 0.486 -2.098) 6.498 11.558 ( 0.144 -3.551 3.356) 4.888 12.141 ( -11.806 5.576 1.992) 13.208 12.430 ( -1.436 -0.779 -0.614) 1.745 13.230 ( -8.134 -0.894 -7.788) 11.297 13.696 ( 3.568 0.099 -4.760) 5.950 14.995 ( -2.912 7.966 12.238) 14.890 15.377 ( 5.148 5.180 -3.818) 8.241 17.746 ( -9.163 -0.479 2.910) 9.626 18.210 ( 1.885 -2.617 -10.658) 11.135 18.767 ( -21.370 10.811 8.463) 25.400 19.251 ( -18.469 -9.889 1.111) 20.980 20.299 ( 23.144 8.358 -4.822) 25.075 20.753 ( 24.295 -4.146 -3.051) 24.834 22.218 ( -4.814 0.911 0.318) 4.910 22.276 ( -1.485 -2.536 0.207) 2.946 ======================= Grid point 502 (248/300) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 5.077 4.593 5.642) 8.872 1.833 ( -1.354 3.616 4.628) 6.027 2.131 ( 16.839 -1.940 0.000) 16.951 2.326 ( 2.426 5.524 -2.841) 6.669 3.445 ( -13.337 0.335 1.053) 13.382 4.016 ( -2.107 4.233 11.969) 12.869 4.143 ( -0.578 5.300 -7.019) 8.814 4.544 ( -3.118 -0.954 -0.433) 3.289 4.804 ( -4.160 -4.736 3.207) 7.073 5.315 ( 6.260 -8.814 0.447) 10.820 5.487 ( -6.334 -13.758 13.593) 20.351 6.072 ( 12.350 -0.962 -7.092) 14.274 6.191 ( 3.004 11.777 3.914) 12.769 6.627 ( 13.166 1.605 0.631) 13.278 7.417 ( -10.150 8.001 -18.648) 22.689 7.786 ( 2.159 9.576 4.865) 10.956 8.138 ( -0.341 -0.463 -5.128) 5.160 8.310 ( 1.380 1.266 7.121) 7.363 9.140 ( -6.119 -7.252 -1.717) 9.643 9.448 ( 0.397 -12.400 10.729) 16.402 11.350 ( -6.604 -1.447 -2.413) 7.178 11.637 ( 0.116 -2.220 3.388) 4.052 11.958 ( -9.941 3.667 3.734) 11.234 12.435 ( 0.710 -0.195 -1.514) 1.684 13.179 ( -6.215 -1.133 -7.318) 9.667 13.677 ( -3.395 0.726 -5.977) 6.913 14.836 ( -0.278 10.314 15.261) 18.422 15.264 ( 4.034 9.434 -5.295) 11.546 17.631 ( -11.380 4.956 -4.891) 13.342 18.219 ( -8.910 -2.949 -6.884) 11.639 18.575 ( -7.700 -0.208 13.054) 15.157 19.264 ( -11.328 -3.879 -4.334) 12.734 20.297 ( 21.169 8.354 -6.079) 23.556 20.983 ( 17.989 -3.749 3.954) 18.796 22.138 ( -7.229 3.186 1.353) 8.015 22.337 ( 0.501 -4.386 -2.779) 5.216 ======================= Grid point 503 (249/300) ======================= q-point: ( 0.36 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.450 9.594 11.281) 14.816 1.860 ( 6.311 0.964 -3.676) 7.366 2.132 ( 5.124 7.139 -8.625) 12.313 2.424 ( 13.343 -6.471 2.286) 15.005 3.348 ( -11.822 0.135 2.384) 12.061 3.922 ( -4.834 5.664 12.453) 14.509 4.021 ( 2.452 6.412 -10.293) 12.372 4.550 ( -8.374 -4.427 -4.219) 10.370 4.851 ( -2.018 -2.515 5.501) 6.377 5.503 ( 3.809 -6.769 1.804) 7.974 5.691 ( -2.905 -7.673 8.726) 11.978 6.064 ( 8.503 6.863 7.539) 13.275 6.125 ( 7.365 0.852 -2.635) 7.869 6.756 ( 10.757 -3.256 -2.682) 11.554 7.194 ( -9.696 2.774 -13.272) 16.669 7.641 ( 1.281 8.150 3.083) 8.807 8.047 ( -1.931 7.337 -6.108) 9.740 8.264 ( -0.120 5.184 6.907) 8.637 9.278 ( -2.584 -10.698 0.973) 11.048 9.705 ( 0.129 -12.148 9.811) 15.616 11.349 ( -6.312 -4.076 -1.549) 7.672 11.569 ( -4.541 6.468 -1.387) 8.023 11.965 ( -0.902 -6.049 8.201) 10.230 12.437 ( 2.865 1.114 -1.920) 3.624 13.146 ( -3.895 -1.168 -5.821) 7.100 13.606 ( -7.875 0.454 -4.822) 9.245 14.698 ( 0.933 8.319 14.861) 17.057 15.091 ( 3.114 10.381 -5.982) 12.379 17.397 ( -10.521 8.444 -7.937) 15.653 18.188 ( -15.301 -5.563 -3.487) 16.650 18.640 ( -0.028 -4.570 12.954) 13.736 19.208 ( -4.451 1.677 -6.290) 7.886 20.296 ( 17.892 6.474 -6.033) 19.961 21.205 ( 15.007 -5.768 8.602) 18.234 21.997 ( -10.453 5.009 0.454) 11.600 22.412 ( 1.303 -3.395 -4.284) 5.619 ======================= Grid point 504 (250/300) ======================= q-point: ( 0.45 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.602 4.122 6.311) 7.975 1.844 ( 4.559 4.211 -4.862) 7.884 2.022 ( 4.626 6.507 -6.091) 10.042 2.623 ( 6.663 -4.796 0.502) 8.225 3.286 ( -3.548 0.005 1.847) 4.000 3.809 ( -3.560 4.163 1.636) 5.717 3.914 ( 1.573 4.810 -3.636) 6.232 4.548 ( -11.367 -4.257 -3.781) 12.713 4.902 ( 2.134 -1.645 6.205) 6.765 5.625 ( -1.017 -5.461 -0.410) 5.570 5.778 ( 3.701 -1.099 7.145) 8.122 6.018 ( 8.393 8.017 3.644) 12.166 6.186 ( -0.076 -2.663 4.244) 5.011 6.867 ( 2.975 -5.790 -5.274) 8.378 7.128 ( -4.688 -2.276 -5.513) 7.587 7.534 ( 3.679 5.788 1.920) 7.122 7.838 ( -3.319 11.263 -3.968) 12.394 8.181 ( -0.262 4.164 3.465) 5.424 9.465 ( 0.302 -9.198 3.090) 9.708 9.918 ( -1.242 -8.918 7.868) 11.958 11.353 ( -6.965 1.082 1.338) 7.174 11.451 ( -1.030 -0.551 -5.203) 5.333 12.102 ( 1.419 -5.147 7.895) 9.531 12.423 ( 2.683 2.409 -1.755) 4.010 13.147 ( -0.203 -2.046 -3.889) 4.399 13.540 ( -7.658 -0.875 -2.506) 8.105 14.607 ( -0.233 5.284 12.429) 13.508 14.924 ( 2.373 8.008 -6.313) 10.469 17.178 ( -5.311 6.085 -5.994) 10.058 18.178 ( -17.284 -7.533 -3.640) 19.202 18.748 ( 2.044 -2.563 13.150) 13.553 19.130 ( -0.275 2.791 -6.037) 6.657 20.296 ( 15.376 6.296 -3.685) 17.019 21.460 ( 14.190 -7.449 8.740) 18.254 21.802 ( -14.247 5.737 -1.022) 15.393 22.454 ( 0.647 -1.428 -4.865) 5.112 ======================= Grid point 505 (251/300) ======================= q-point: (-0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 4.088 -0.244 -0.250) 4.103 1.765 ( 0.110 4.466 -3.917) 5.942 1.952 ( 6.690 4.412 -3.122) 8.601 2.656 ( -7.467 1.180 0.470) 7.574 3.318 ( 10.020 -0.075 -0.627) 10.039 3.749 ( 2.024 0.780 -2.492) 3.304 3.867 ( -1.439 -0.482 -1.517) 2.145 4.516 ( -13.662 -3.199 -0.768) 14.053 4.963 ( 5.460 -0.286 5.028) 7.428 5.691 ( -3.586 -3.033 -0.041) 4.697 5.832 ( 3.044 -0.530 4.778) 5.690 5.908 ( 2.617 7.803 -3.820) 9.074 6.220 ( -1.006 -0.739 9.833) 9.912 6.956 ( -7.278 -2.174 -2.818) 8.102 7.180 ( 5.007 -6.102 -3.457) 8.617 7.490 ( 8.716 6.261 3.642) 11.333 7.622 ( -4.219 4.622 -3.026) 6.951 8.131 ( -1.707 0.923 -0.291) 1.963 9.604 ( 1.521 -3.854 2.735) 4.965 10.032 ( -3.561 -3.422 4.849) 6.922 11.282 ( -1.522 0.669 0.870) 1.876 11.496 ( -0.609 -3.583 -3.146) 4.807 12.183 ( 0.384 -1.562 3.886) 4.205 12.377 ( -0.384 3.443 -0.609) 3.517 13.208 ( 5.007 -3.188 -2.576) 6.470 13.518 ( -4.429 -2.018 -0.328) 4.878 14.546 ( -2.959 2.878 11.326) 12.055 14.820 ( 1.538 2.970 -7.634) 8.334 17.095 ( 2.776 0.514 -1.375) 3.140 18.185 ( -17.408 -8.200 -3.503) 19.559 18.810 ( 2.709 0.688 12.532) 12.840 19.088 ( 1.519 0.918 -6.118) 6.371 20.277 ( 13.797 7.403 0.404) 15.663 21.554 ( -15.067 6.236 -3.815) 16.747 21.734 ( 10.505 -7.814 6.914) 14.806 22.455 ( -0.610 0.205 -4.378) 4.425 ======================= Grid point 506 (252/300) ======================= q-point: (-0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.220 -0.934 -4.941) 6.565 1.699 ( -2.749 0.541 -1.820) 3.341 1.947 ( 7.397 1.798 -0.739) 7.648 2.500 ( -13.574 5.928 0.429) 14.819 3.402 ( 10.598 -0.005 1.593) 10.717 3.801 ( 6.878 -1.302 0.735) 7.038 3.912 ( 0.402 -6.454 -6.619) 9.254 4.465 ( -14.439 -2.972 2.611) 14.971 5.014 ( 7.466 1.023 2.510) 7.943 5.655 ( -4.831 3.801 3.516) 7.082 5.780 ( -4.003 3.196 -3.888) 6.430 5.881 ( 1.149 -2.396 -2.454) 3.617 6.253 ( 2.345 0.399 8.475) 8.802 6.806 ( -10.667 8.820 -0.142) 13.842 7.304 ( 9.352 3.209 -0.911) 9.929 7.452 ( 1.262 -3.486 -1.358) 3.949 7.683 ( 3.354 -7.848 3.474) 9.215 8.126 ( -3.376 -3.593 -4.315) 6.552 9.631 ( 2.478 3.118 1.191) 4.158 10.001 ( -6.567 3.081 1.444) 7.396 11.339 ( 2.764 -5.575 2.873) 6.854 11.532 ( 1.496 -0.369 -1.776) 2.351 12.198 ( -1.269 -0.711 -1.432) 2.042 12.286 ( -4.107 4.369 0.697) 6.037 13.310 ( 9.877 -1.836 -2.858) 10.445 13.539 ( -2.048 -2.456 2.014) 3.779 14.517 ( -5.381 -1.002 12.490) 13.636 14.806 ( 0.868 -2.293 -9.833) 10.134 17.200 ( 11.451 -5.488 3.450) 13.158 18.193 ( -15.844 -6.734 -2.017) 17.333 18.837 ( 0.166 -0.211 11.244) 11.247 19.078 ( 3.018 0.862 -8.039) 8.630 20.239 ( 13.513 8.371 4.586) 16.545 21.295 ( -19.607 5.934 -5.756) 21.278 21.963 ( 10.838 -6.413 3.461) 13.060 22.423 ( -2.055 1.223 -2.868) 3.735 ======================= Grid point 507 (253/300) ======================= q-point: (-0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.328 -1.366 -0.385) 1.457 1.691 ( -2.843 -2.638 -4.222) 5.733 1.985 ( 6.979 0.073 0.118) 6.980 2.282 ( -12.500 6.004 1.232) 13.922 3.495 ( 6.380 -2.446 7.077) 9.837 3.856 ( 1.110 -2.037 -3.873) 4.514 4.067 ( 8.456 -5.771 -2.606) 10.564 4.427 ( -11.371 -3.111 2.927) 12.147 5.050 ( 8.303 1.915 0.496) 8.536 5.517 ( -6.633 6.719 0.856) 9.480 5.740 ( -4.340 -3.702 1.579) 5.919 5.933 ( 0.179 -3.465 -4.038) 5.324 6.230 ( 4.503 7.517 0.525) 8.778 6.540 ( -12.208 9.465 1.759) 15.547 7.270 ( 6.457 4.103 5.219) 9.261 7.570 ( -0.238 -7.175 -5.693) 9.162 7.882 ( 4.503 -8.155 5.962) 11.060 8.206 ( -2.922 -8.436 -7.265) 11.510 9.539 ( 4.014 9.569 2.048) 10.577 9.850 ( -8.337 6.455 -1.091) 10.600 11.497 ( 3.410 -4.697 2.913) 6.494 11.536 ( 3.632 -0.706 -0.519) 3.736 12.161 ( 0.343 4.466 -3.342) 5.589 12.217 ( -7.367 -3.437 0.362) 8.138 13.398 ( 12.957 1.048 -3.133) 13.372 13.568 ( -2.956 -1.663 3.347) 4.765 14.572 ( -6.806 -6.824 14.694) 17.573 14.869 ( 1.470 -6.032 -12.069) 13.573 17.466 ( 18.047 -9.327 6.253) 21.255 18.171 ( -13.307 -2.846 0.933) 13.640 18.882 ( -6.766 -4.895 10.531) 13.440 19.063 ( 5.824 1.648 -12.509) 13.896 20.205 ( 15.171 8.312 7.565) 18.881 21.019 ( -21.058 5.694 -7.249) 22.987 22.142 ( 8.902 -4.296 0.668) 9.907 22.370 ( -3.297 1.669 -0.862) 3.795 ======================= Grid point 508 (254/300) ======================= q-point: (-0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -5.628 -1.656 8.719) 10.509 1.726 ( 0.054 -2.069 -4.400) 4.863 2.049 ( 0.201 -2.669 1.595) 3.116 2.137 ( -2.393 1.354 -1.737) 3.252 3.621 ( 3.251 -5.022 10.054) 11.699 3.887 ( -2.210 -3.072 -6.799) 7.782 4.179 ( 4.307 0.162 8.255) 9.312 4.428 ( -2.095 -2.907 -4.593) 5.826 5.063 ( 6.856 3.992 3.028) 8.492 5.323 ( -7.264 7.703 -3.528) 11.160 5.845 ( -6.106 -5.451 8.844) 12.051 5.990 ( 3.877 -2.718 -3.057) 5.636 6.077 ( 7.679 9.541 -7.035) 14.124 6.284 ( -15.442 5.595 -1.804) 16.523 7.331 ( 7.801 -3.123 10.133) 13.164 7.681 ( -3.405 -8.347 -8.558) 12.430 8.048 ( 4.770 -3.884 7.097) 9.392 8.317 ( -3.274 -6.969 -9.394) 12.146 9.368 ( 4.218 12.809 7.986) 15.672 9.654 ( -7.448 7.160 -5.155) 11.546 11.505 ( 5.355 2.779 1.732) 6.276 11.626 ( -2.151 -2.417 -1.762) 3.684 12.136 ( 1.989 -2.213 1.971) 3.569 12.248 ( -4.409 -4.776 -2.683) 7.032 13.459 ( 13.677 2.544 -1.958) 14.049 13.559 ( -5.564 -0.185 2.027) 5.924 14.715 ( -8.704 -10.942 16.020) 21.264 14.995 ( 3.854 -8.309 -13.105) 15.988 17.802 ( 20.194 -8.521 5.650) 22.635 18.097 ( -11.202 1.314 4.290) 12.067 18.944 ( -14.925 -7.800 10.010) 19.591 19.089 ( 9.925 -2.765 -16.333) 19.311 20.203 ( 18.384 7.708 9.035) 21.886 20.732 ( -21.123 6.450 -8.299) 23.593 22.255 ( 6.107 -1.444 -0.529) 6.297 22.316 ( -3.431 0.925 0.593) 3.602 ======================= Grid point 509 (255/300) ======================= q-point: (-0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.755 -0.985 10.144) 10.219 1.713 ( -0.469 2.664 -0.851) 2.836 2.062 ( -8.509 -4.982 8.825) 13.233 2.233 ( 6.510 -6.441 -6.585) 11.280 3.750 ( -3.182 -5.274 8.742) 10.694 3.909 ( 0.591 -2.105 -5.596) 6.008 4.196 ( -0.710 0.241 13.518) 13.539 4.475 ( 4.116 -2.825 -9.715) 10.922 4.969 ( -3.321 10.246 10.183) 14.822 5.152 ( 1.845 6.499 -8.332) 10.727 5.694 ( -9.577 11.557 8.445) 17.222 5.875 ( 4.397 12.032 -8.064) 15.137 6.215 ( 3.790 -9.897 -0.331) 10.603 6.278 ( -3.783 -14.121 -4.048) 15.169 7.515 ( 9.000 -6.135 12.913) 16.893 7.792 ( -5.201 -9.786 -11.714) 16.126 8.108 ( 3.460 3.005 9.028) 10.125 8.345 ( -3.367 -1.285 -12.780) 13.278 9.197 ( 2.545 10.538 15.050) 18.548 9.463 ( -5.349 6.429 -9.264) 12.481 11.509 ( 4.950 1.785 2.664) 5.898 11.582 ( -5.192 1.811 -3.991) 6.794 12.234 ( -5.106 -6.492 4.950) 9.629 12.323 ( 4.048 -4.434 -3.378) 6.889 13.489 ( -4.528 0.749 0.531) 4.620 13.524 ( 9.550 2.364 -2.386) 10.123 14.890 ( -10.101 -11.745 14.429) 21.170 15.162 ( 5.977 -8.009 -11.190) 15.003 17.973 ( -8.121 3.549 7.628) 11.693 18.064 ( 14.426 -2.476 -1.145) 14.681 19.002 ( -18.035 -10.466 9.685) 22.992 19.256 ( 10.938 -9.553 -14.110) 20.248 20.224 ( 15.727 7.914 9.591) 20.049 20.438 ( -12.470 7.527 -10.304) 17.842 22.261 ( -0.943 1.196 3.090) 3.445 22.318 ( 1.213 -0.454 -2.240) 2.587 ======================= Grid point 512 (256/300) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 5.822 0.000 2.143) 6.204 2.055 ( 17.803 0.000 -0.754) 17.819 2.119 ( -3.196 -0.000 7.134) 7.817 2.489 ( 2.154 0.000 6.432) 6.783 3.457 ( -11.962 -0.000 -7.367) 14.048 4.021 ( -6.011 -0.000 2.488) 6.505 4.351 ( -3.371 -0.000 3.159) 4.620 4.519 ( -0.914 -0.000 23.243) 23.261 4.730 ( 1.441 0.000 -5.904) 6.077 5.044 ( 9.125 0.000 -5.685) 10.751 5.182 ( -8.832 -0.000 14.217) 16.736 6.001 ( 18.569 0.000 -12.423) 22.342 6.438 ( -2.311 -0.000 14.384) 14.568 6.812 ( 10.823 0.000 -10.888) 15.352 7.639 ( -10.924 -0.000 -20.933) 23.612 7.960 ( -1.271 -0.000 3.086) 3.338 8.154 ( 5.521 0.000 9.186) 10.718 8.177 ( 4.991 0.000 -0.976) 5.085 9.042 ( -6.984 -0.000 -10.393) 12.521 9.153 ( -3.639 -0.000 17.886) 18.253 11.371 ( -4.629 -0.000 0.190) 4.633 11.506 ( -3.069 -0.000 2.709) 4.093 12.115 ( -11.581 -0.000 0.783) 11.608 12.379 ( -5.833 -0.000 -0.984) 5.915 13.151 ( -5.116 -0.000 -10.018) 11.248 13.698 ( -1.222 -0.000 -5.798) 5.926 15.091 ( 0.907 0.000 10.258) 10.298 15.456 ( 3.781 0.000 -0.682) 3.842 17.686 ( -7.694 -0.000 2.173) 7.995 18.155 ( -3.723 -0.000 -10.526) 11.165 18.794 ( -20.852 -0.000 5.126) 21.473 18.927 ( -17.571 -0.000 2.116) 17.698 20.594 ( 25.559 0.000 2.336) 25.665 20.876 ( 23.938 0.000 -9.345) 25.698 22.170 ( -5.559 -0.000 -4.365) 7.068 22.248 ( -2.913 -0.000 4.822) 5.633 ======================= Grid point 513 (257/300) ======================= q-point: ( 0.27 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 8.124 -4.729 2.211) 9.656 1.980 ( -4.777 8.305 7.330) 12.063 2.255 ( 22.539 -0.818 -0.718) 22.565 2.453 ( 0.837 5.867 1.517) 6.117 3.347 ( -12.592 0.199 -4.128) 13.253 4.006 ( -7.535 -3.250 3.339) 8.860 4.228 ( -3.476 7.309 2.836) 8.576 4.616 ( -0.621 7.574 11.246) 13.573 4.681 ( -0.798 -7.367 -0.141) 7.412 5.197 ( 6.560 -8.088 0.953) 10.458 5.257 ( -3.660 -9.618 14.507) 17.786 6.136 ( 17.718 -1.682 -12.136) 21.542 6.395 ( -0.248 6.270 10.667) 12.376 6.796 ( 10.262 6.164 -4.125) 12.662 7.436 ( -10.647 6.936 -20.493) 24.113 7.940 ( -2.453 4.414 -6.119) 7.934 8.126 ( 5.703 0.325 5.540) 7.958 8.318 ( 2.180 -3.405 7.256) 8.306 8.993 ( -5.709 -3.014 -5.855) 8.716 9.250 ( -4.221 -9.466 13.947) 17.376 11.308 ( -4.948 1.998 0.281) 5.344 11.556 ( -2.164 -5.880 4.239) 7.565 11.971 ( -10.790 5.191 0.517) 11.985 12.370 ( -5.436 -3.772 -2.309) 7.008 13.108 ( -2.524 -0.747 -10.321) 10.651 13.644 ( -6.651 1.133 -6.434) 9.323 15.053 ( 3.214 7.817 11.577) 14.334 15.426 ( 2.489 5.699 -1.062) 6.309 17.615 ( -7.827 2.160 -2.839) 8.602 18.086 ( -12.827 -0.520 -7.270) 14.753 18.563 ( -10.639 4.084 8.957) 14.495 18.990 ( -13.300 -11.781 -3.591) 18.127 20.675 ( 25.824 10.690 -0.828) 27.961 21.059 ( 17.477 -2.823 -2.244) 17.845 22.127 ( -6.366 0.387 -1.757) 6.616 22.252 ( -2.145 -2.751 0.772) 3.573 ======================= Grid point 514 (258/300) ======================= q-point: ( 0.36 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -1.630 10.232 11.332) 15.355 1.894 ( 9.161 -3.513 -0.754) 9.841 2.282 ( 1.424 8.332 -6.496) 10.661 2.473 ( 19.185 -1.751 -1.062) 19.294 3.254 ( -11.507 -0.942 1.361) 11.626 4.006 ( -5.042 1.425 9.637) 10.969 4.084 ( -4.405 3.945 -4.625) 7.507 4.466 ( -6.309 4.491 -1.539) 7.896 4.809 ( 1.928 -3.684 9.900) 10.737 5.397 ( 3.888 -7.618 -0.847) 8.594 5.489 ( -1.882 -13.309 16.000) 20.896 6.232 ( 10.073 2.515 -3.882) 11.084 6.287 ( 8.626 7.885 1.683) 11.807 6.807 ( 9.481 0.349 2.476) 9.805 7.169 ( -11.400 7.217 -19.543) 23.748 7.786 ( -2.414 7.584 -3.620) 8.744 8.143 ( 3.484 3.782 -2.906) 5.906 8.350 ( -0.996 2.300 9.184) 9.520 9.071 ( -1.724 -9.504 -1.177) 9.730 9.470 ( -4.129 -13.899 11.023) 18.214 11.255 ( -4.960 -0.678 0.225) 5.011 11.619 ( -3.702 1.319 0.723) 3.996 11.863 ( -4.614 -3.316 5.446) 7.870 12.408 ( -2.585 -3.970 -3.400) 5.831 13.093 ( -0.300 -1.063 -9.318) 9.383 13.540 ( -10.450 1.261 -5.353) 11.809 14.928 ( 3.470 10.838 13.169) 17.405 15.289 ( 1.652 9.797 -2.871) 10.342 17.456 ( -7.640 7.067 -7.898) 13.064 17.968 ( -18.973 -2.422 -3.129) 19.381 18.561 ( -2.641 -5.040 10.451) 11.900 19.081 ( -8.020 -7.667 -7.356) 13.312 20.644 ( 25.294 12.339 -3.653) 28.379 21.234 ( 12.351 -4.134 6.410) 14.516 22.020 ( -8.745 4.803 1.083) 10.035 22.320 ( -0.763 -5.325 -4.639) 7.103 ======================= Grid point 515 (259/300) ======================= q-point: ( 0.45 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.129 8.296 10.453) 13.393 1.963 ( 8.534 4.076 -5.890) 11.141 2.147 ( 2.088 4.664 -4.401) 6.744 2.613 ( 8.121 -1.191 -3.611) 8.967 3.244 ( -0.996 -3.338 4.826) 5.952 3.891 ( -4.814 6.983 9.629) 12.831 4.002 ( -1.550 3.359 -5.422) 6.564 4.372 ( -10.871 -2.024 -6.034) 12.597 4.906 ( 4.265 -2.219 11.390) 12.363 5.518 ( -0.478 -5.160 -2.045) 5.571 5.727 ( -0.454 -8.633 12.992) 15.605 6.207 ( 4.228 3.039 0.145) 5.209 6.257 ( 12.223 7.308 2.917) 14.536 6.842 ( 1.471 2.850 -5.815) 6.641 7.017 ( -4.911 -3.900 -7.834) 10.034 7.638 ( -2.159 5.250 -4.482) 7.232 8.028 ( 2.354 9.923 -1.777) 10.352 8.275 ( -2.185 5.438 5.975) 8.370 9.284 ( 2.294 -12.011 2.906) 12.568 9.711 ( -4.599 -13.001 8.455) 16.176 11.259 ( -5.200 -3.298 1.320) 6.298 11.493 ( -3.390 5.545 -4.785) 8.070 12.006 ( 0.721 -8.388 10.034) 13.098 12.445 ( -0.038 -1.484 -3.990) 4.257 13.106 ( 2.270 -1.766 -7.429) 7.967 13.440 ( -10.997 -0.929 -2.884) 11.406 14.781 ( 1.683 9.968 12.887) 16.379 15.101 ( 1.227 10.497 -4.592) 11.524 17.250 ( -4.067 7.195 -7.536) 11.185 17.890 ( -20.449 -6.012 -3.620) 21.619 18.690 ( -0.629 -6.630 11.418) 13.218 19.113 ( -3.467 -2.436 -7.380) 8.510 20.607 ( 24.164 11.033 -3.854) 26.842 21.440 ( 10.041 -6.988 10.321) 16.006 21.829 ( -11.411 7.695 0.929) 13.794 22.388 ( -1.332 -3.968 -6.945) 8.108 ======================= Grid point 516 (260/300) ======================= q-point: ( 0.55 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.830 4.133 5.590) 7.937 1.866 ( 1.200 7.013 -6.781) 9.829 2.108 ( 9.374 5.069 -3.143) 11.111 2.608 ( -7.893 0.681 -0.887) 7.971 3.381 ( 13.915 -3.858 2.646) 14.680 3.773 ( -3.185 3.064 3.758) 5.801 3.904 ( -0.084 4.800 -4.554) 6.617 4.325 ( -14.670 -4.122 -4.895) 16.005 5.004 ( 5.831 -1.389 10.722) 12.284 5.590 ( -2.338 -4.277 -2.185) 5.342 5.843 ( -0.453 -2.230 9.178) 9.456 6.093 ( 1.510 9.810 -9.964) 14.064 6.268 ( 6.138 1.996 15.458) 16.752 6.827 ( -2.802 -4.043 -7.524) 8.990 7.094 ( 1.794 -5.381 -1.273) 5.813 7.551 ( -3.001 0.869 -4.746) 5.682 7.834 ( 5.332 13.338 0.766) 14.385 8.168 ( -3.183 4.625 2.139) 6.008 9.516 ( 3.871 -8.739 5.103) 10.834 9.895 ( -5.299 -8.974 5.280) 11.683 11.271 ( -4.884 -1.012 2.958) 5.799 11.415 ( -0.137 -1.072 -7.219) 7.300 12.159 ( 1.115 -4.264 9.192) 10.194 12.433 ( 0.460 2.149 -3.540) 4.167 13.170 ( 5.250 -3.725 -4.882) 8.079 13.409 ( -8.276 -4.025 -0.742) 9.233 14.649 ( -1.162 7.420 11.675) 13.882 14.919 ( 0.635 8.271 -6.486) 10.530 17.138 ( 2.863 2.436 -3.454) 5.105 17.858 ( -20.926 -8.546 -4.846) 23.117 18.818 ( 0.149 -4.304 11.533) 12.310 19.100 ( -0.252 0.286 -5.485) 5.498 20.583 ( 22.686 10.391 -2.241) 25.053 21.553 ( -17.596 6.153 -0.015) 18.640 21.700 ( 11.752 -5.523 9.521) 16.102 22.412 ( -2.625 -2.067 -7.626) 8.325 ======================= Grid point 517 (261/300) ======================= q-point: (-0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.183 0.908 -0.371) 5.275 1.734 ( -1.408 5.311 -4.816) 7.306 2.082 ( 11.236 5.157 -1.383) 12.440 2.483 ( -14.114 3.570 0.528) 14.568 3.524 ( 14.867 2.130 -0.991) 15.051 3.797 ( 0.798 -5.470 -0.863) 5.595 3.832 ( 3.203 1.119 -2.641) 4.300 4.275 ( -16.619 -4.374 -1.091) 17.220 5.084 ( 6.016 -0.045 8.970) 10.801 5.609 ( -5.759 -1.246 -5.045) 7.757 5.869 ( -0.404 -0.132 3.818) 3.842 5.896 ( -1.242 9.024 -2.928) 9.568 6.318 ( 5.772 0.916 13.683) 14.879 6.817 ( -7.412 1.414 -5.955) 9.612 7.254 ( 5.915 -8.653 -0.943) 10.524 7.528 ( -6.131 -0.942 -3.794) 7.271 7.678 ( 12.059 8.189 4.572) 15.277 8.072 ( -5.315 2.039 -2.153) 6.086 9.664 ( 3.944 -2.663 5.029) 6.924 9.965 ( -6.524 -2.252 1.307) 7.024 11.281 ( 0.019 -2.833 3.139) 4.229 11.464 ( -1.020 -4.788 -5.366) 7.263 12.206 ( -0.101 0.970 5.673) 5.757 12.360 ( -0.561 4.876 -2.609) 5.559 13.298 ( 7.270 -5.373 -2.216) 9.307 13.448 ( -4.440 -5.020 0.016) 6.702 14.544 ( -3.677 4.513 11.669) 13.040 14.796 ( 0.194 3.271 -8.612) 9.214 17.203 ( 11.073 -3.942 1.650) 11.869 17.863 ( -20.760 -10.255 -5.350) 23.765 18.885 ( 0.032 0.056 11.695) 11.695 19.089 ( 1.744 0.092 -5.288) 5.569 20.556 ( 21.202 10.531 0.895) 23.690 21.261 ( -20.524 7.927 -2.575) 22.152 21.932 ( 10.470 -6.852 7.305) 14.489 22.395 ( -3.924 -0.619 -6.906) 7.967 ======================= Grid point 518 (262/300) ======================= q-point: (-0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.864 1.457 -2.068) 3.821 1.649 ( -0.559 0.783 -5.239) 5.327 2.089 ( 11.117 3.465 0.528) 11.656 2.287 ( -14.334 5.192 0.886) 15.271 3.563 ( 9.211 2.186 2.266) 9.734 3.788 ( -5.256 -1.809 -5.727) 7.981 4.030 ( 13.392 -7.479 -0.049) 15.339 4.248 ( -13.124 -5.914 0.062) 14.395 5.137 ( 5.560 0.919 7.315) 9.234 5.522 ( -8.869 2.586 -8.960) 12.870 5.757 ( -1.008 5.013 6.336) 8.142 5.877 ( -0.498 -1.075 -1.188) 1.678 6.374 ( 8.134 1.912 7.894) 11.495 6.637 ( -10.150 8.875 -2.509) 13.714 7.421 ( 6.245 3.055 -1.443) 7.100 7.453 ( -1.116 -3.021 -0.691) 3.294 7.774 ( 5.714 -6.905 5.804) 10.677 8.032 ( -5.443 -4.359 -6.498) 9.532 9.698 ( 4.743 3.343 3.945) 7.017 9.885 ( -8.185 4.362 -0.853) 9.314 11.396 ( 2.467 -6.981 4.120) 8.474 11.528 ( -0.603 -3.530 -3.486) 4.998 12.170 ( -2.968 2.351 3.603) 5.227 12.248 ( 0.318 5.499 -3.464) 6.507 13.439 ( 4.457 -4.253 0.705) 6.201 13.508 ( 0.184 -3.283 -1.761) 3.730 14.495 ( -4.977 -0.147 13.978) 14.838 14.771 ( 0.874 -2.428 -10.878) 11.180 17.445 ( 17.889 -9.016 5.304) 20.723 17.890 ( -20.141 -10.418 -5.148) 23.253 18.875 ( -2.464 2.453 12.737) 13.203 19.093 ( 3.461 0.305 -8.140) 8.850 20.527 ( 20.346 10.086 4.360) 23.124 20.956 ( -21.617 6.761 -4.668) 23.125 22.128 ( 8.601 -5.049 3.970) 10.735 22.351 ( -4.893 0.269 -5.040) 7.030 ======================= Grid point 519 (263/300) ======================= q-point: (-0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -6.227 0.958 5.069) 8.086 1.688 ( 6.159 -2.864 -9.227) 11.458 2.089 ( -0.947 4.566 3.691) 5.947 2.140 ( 0.672 1.194 -1.396) 1.956 3.612 ( 3.985 -0.592 8.150) 9.092 3.781 ( -5.016 -3.560 -7.035) 9.344 4.171 ( -6.354 -3.572 7.103) 10.178 4.354 ( 11.016 -6.491 -8.783) 15.512 5.165 ( 2.637 1.743 7.506) 8.144 5.365 ( -6.887 4.788 -8.995) 12.299 5.742 ( -0.383 -2.229 10.850) 11.084 5.903 ( -1.753 -3.572 -4.177) 5.769 6.331 ( -3.166 12.167 1.979) 12.727 6.394 ( 4.214 8.595 -2.031) 9.786 7.373 ( 3.126 1.392 6.425) 7.280 7.521 ( -2.377 -4.087 -6.723) 8.220 7.977 ( 4.136 -8.623 5.904) 11.239 8.119 ( -3.691 -8.914 -7.789) 12.400 9.632 ( 5.616 9.697 5.066) 12.298 9.708 ( -8.737 6.262 -1.644) 10.874 11.538 ( 0.317 -4.394 1.920) 4.806 11.570 ( 1.067 -1.868 -1.133) 2.431 12.094 ( -7.221 1.355 4.858) 8.808 12.203 ( 5.001 0.198 -5.051) 7.111 13.483 ( -7.588 -1.628 3.382) 8.466 13.579 ( 10.096 -0.588 -5.301) 11.419 14.538 ( -6.620 -5.466 17.018) 19.060 14.851 ( 3.483 -7.094 -12.482) 14.774 17.796 ( 20.723 -10.528 6.187) 24.053 17.908 ( -18.356 -8.287 -4.114) 20.556 18.823 ( -8.109 1.714 13.841) 16.133 19.101 ( 6.024 -0.319 -12.003) 13.434 20.523 ( 20.937 8.424 6.655) 23.528 20.666 ( -20.899 6.054 -6.399) 22.679 22.259 ( 3.301 -2.889 1.239) 4.559 22.299 ( -2.266 0.562 -2.591) 3.488 ======================= Grid point 520 (264/300) ======================= q-point: (-0.09 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -4.866 -4.538 10.569) 12.489 1.763 ( 6.337 -0.809 -6.240) 8.931 2.005 ( -3.502 2.043 5.203) 6.596 2.181 ( 6.295 -2.244 -4.448) 8.028 3.655 ( -6.132 -2.400 7.910) 10.292 3.835 ( 1.183 -5.196 -1.474) 5.529 4.175 ( -7.597 -2.328 4.138) 8.959 4.500 ( 12.729 -0.528 -8.722) 15.440 5.083 ( -10.033 5.743 4.597) 12.441 5.268 ( 6.356 4.175 -2.898) 8.138 5.816 ( -4.675 1.613 13.454) 14.334 5.976 ( -0.847 -6.080 -2.975) 6.821 6.042 ( -9.826 6.332 -3.000) 12.068 6.306 ( 18.009 8.338 -4.518) 20.353 7.473 ( 4.481 -6.605 9.554) 12.450 7.567 ( -5.323 -6.388 -10.376) 13.297 8.145 ( 3.815 -3.912 6.456) 8.458 8.219 ( -4.059 -6.622 -8.788) 11.728 9.442 ( -3.359 11.483 7.204) 13.966 9.551 ( 0.306 8.022 -1.562) 8.179 11.546 ( -4.102 0.989 -1.024) 4.342 11.597 ( 2.811 0.811 -0.167) 2.930 12.072 ( -9.272 -4.194 5.869) 11.748 12.282 ( 7.386 -3.991 -3.601) 9.135 13.428 ( -10.236 0.222 0.374) 10.246 13.639 ( 9.602 1.026 -4.766) 10.769 14.656 ( -8.125 -9.150 17.709) 21.525 15.018 ( 5.800 -9.505 -11.569) 16.057 17.887 ( -16.032 -4.502 -1.971) 16.768 18.118 ( 17.853 -5.443 2.209) 18.795 18.761 ( -15.025 -1.679 13.858) 20.509 19.183 ( 10.005 -5.686 -11.944) 16.585 20.381 ( -16.371 7.595 -6.394) 19.146 20.570 ( 20.945 5.554 5.491) 22.353 22.244 ( -5.966 -0.571 0.314) 6.001 22.336 ( 4.726 0.108 -1.079) 4.849 ======================= Grid point 524 (265/300) ======================= q-point: ( 0.27 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 9.812 0.000 4.744) 10.899 2.040 ( -3.699 -0.000 5.575) 6.691 2.425 ( 24.338 0.000 -3.034) 24.527 2.517 ( -1.678 -0.000 4.216) 4.537 3.246 ( -11.116 -0.000 -7.832) 13.598 3.891 ( -11.795 -0.000 3.620) 12.338 4.309 ( -5.015 -0.000 4.665) 6.850 4.569 ( 0.151 0.000 -9.920) 9.922 4.736 ( -2.815 -0.000 25.494) 25.649 5.163 ( 9.439 0.000 -5.333) 10.841 5.192 ( 0.337 0.000 21.232) 21.235 6.233 ( 19.088 0.000 -14.593) 24.027 6.462 ( -3.274 -0.000 15.590) 15.931 6.915 ( 7.529 0.000 -12.206) 14.341 7.400 ( -8.222 -0.000 -17.295) 19.150 7.911 ( -2.734 -0.000 -8.573) 8.999 8.255 ( 5.695 0.000 -0.872) 5.761 8.269 ( 1.552 0.000 15.217) 15.296 8.911 ( -4.298 -0.000 -8.304) 9.351 9.141 ( -7.649 -0.000 15.829) 17.580 11.326 ( -2.054 -0.000 3.730) 4.259 11.459 ( -4.285 -0.000 3.312) 5.415 11.952 ( -9.287 -0.000 -1.515) 9.410 12.258 ( -8.377 -0.000 -3.853) 9.220 13.070 ( 0.251 0.000 -11.247) 11.250 13.579 ( -10.041 -0.000 -6.603) 12.017 15.186 ( 5.569 0.000 8.716) 10.343 15.493 ( 0.782 0.000 1.644) 1.820 17.580 ( -5.767 -0.000 -2.880) 6.446 17.967 ( -14.847 -0.000 -6.441) 16.184 18.556 ( -15.659 -0.000 11.977) 19.714 18.752 ( -4.063 -0.000 -8.021) 8.991 20.978 ( 21.366 0.000 6.275) 22.268 21.144 ( 17.039 0.000 -9.567) 19.541 22.065 ( -5.247 -0.000 -4.759) 7.084 22.215 ( -3.848 -0.000 3.848) 5.441 ======================= Grid point 525 (266/300) ======================= q-point: ( 0.36 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 10.475 -3.862 4.316) 11.969 1.964 ( -1.478 6.870 8.451) 10.991 2.425 ( -2.041 7.410 -0.963) 7.746 2.607 ( 20.739 -0.298 -6.214) 21.652 3.156 ( -9.155 -0.803 -2.367) 9.490 3.868 ( -11.683 -5.997 1.756) 13.250 4.182 ( -4.497 7.558 5.104) 10.168 4.525 ( -7.435 3.947 -7.450) 11.241 4.799 ( 5.334 -3.024 20.323) 21.228 5.295 ( 4.739 -6.766 -1.603) 8.415 5.322 ( 3.313 -6.967 21.393) 22.742 6.336 ( 13.587 0.927 -10.109) 16.961 6.442 ( 1.646 2.947 7.636) 8.349 6.893 ( 3.850 2.290 -9.033) 10.083 7.215 ( -6.494 9.480 -12.820) 17.216 7.848 ( -4.585 3.344 -10.634) 12.054 8.236 ( 6.523 2.447 2.029) 7.256 8.367 ( -0.933 -1.834 9.816) 10.030 8.916 ( -0.933 -5.149 -4.360) 6.812 9.210 ( -8.547 -10.459 12.456) 18.374 11.261 ( -2.092 3.740 3.401) 5.471 11.539 ( -2.406 -7.007 4.679) 8.762 11.833 ( -6.709 3.562 -1.491) 7.741 12.257 ( -6.871 -6.512 -5.454) 10.926 13.062 ( 2.197 -0.717 -10.736) 10.982 13.467 ( -12.358 1.215 -5.551) 13.602 15.171 ( 5.777 8.067 9.052) 13.431 15.443 ( -0.151 5.909 0.925) 5.983 17.497 ( -4.709 3.972 -6.313) 8.820 17.815 ( -17.730 1.516 -3.749) 18.186 18.478 ( -7.682 -2.146 12.294) 14.654 18.836 ( -3.600 -10.086 -9.422) 14.264 21.036 ( 21.309 9.725 -0.663) 23.433 21.269 ( 10.707 -2.424 1.168) 11.040 22.022 ( -5.802 1.089 -1.862) 6.190 22.214 ( -2.887 -3.060 -0.879) 4.298 ======================= Grid point 526 (267/300) ======================= q-point: ( 0.45 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 0.526 8.872 10.795) 13.983 2.051 ( 10.982 -2.507 -0.077) 11.265 2.243 ( -3.029 8.211 -2.752) 9.175 2.677 ( 6.033 2.721 -10.453) 12.372 3.185 ( 4.375 -5.018 4.952) 8.297 3.904 ( -11.062 -6.328 -1.303) 12.810 4.024 ( -4.647 8.049 11.035) 14.427 4.354 ( -5.038 6.057 -6.872) 10.454 4.941 ( 7.113 -2.334 14.505) 16.323 5.420 ( 0.606 -4.914 -2.905) 5.741 5.560 ( 0.552 -10.928 19.478) 22.341 6.317 ( 2.582 4.825 1.220) 5.606 6.453 ( 12.271 3.486 -5.533) 13.905 6.891 ( -7.007 -1.896 -14.047) 15.812 6.966 ( 2.943 8.978 1.215) 9.526 7.690 ( -6.011 5.771 -9.942) 12.973 8.212 ( 6.489 6.478 -1.102) 9.235 8.354 ( -3.476 3.269 8.329) 9.599 9.086 ( 3.789 -11.920 0.749) 12.530 9.416 ( -8.411 -15.202 8.713) 19.436 11.210 ( -1.804 0.820 3.415) 3.948 11.545 ( -4.492 3.781 -4.068) 7.143 11.863 ( 0.155 -8.767 8.496) 12.209 12.337 ( -3.573 -7.215 -6.917) 10.615 13.083 ( 3.979 -1.429 -9.336) 10.249 13.341 ( -12.537 0.545 -3.103) 12.927 15.038 ( 3.898 12.064 10.705) 16.593 15.291 ( -0.148 9.868 -1.480) 9.980 17.344 ( -2.232 7.106 -8.149) 11.040 17.663 ( -18.556 -1.286 -2.493) 18.766 18.566 ( -3.492 -7.611 12.893) 15.374 18.966 ( -2.253 -8.127 -10.700) 13.624 20.997 ( 22.580 11.314 -3.125) 25.449 21.407 ( 5.387 -4.860 8.170) 10.926 21.898 ( -7.147 6.560 2.178) 9.943 22.269 ( -2.731 -5.129 -7.025) 9.117 ======================= Grid point 527 (268/300) ======================= q-point: ( 0.55 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.343 7.403 9.221) 12.055 2.009 ( 1.365 9.016 -8.886) 12.732 2.211 ( 6.886 -0.902 2.340) 7.328 2.584 ( -6.890 3.657 -6.109) 9.907 3.397 ( 16.008 -7.109 3.961) 17.958 3.853 ( -7.699 7.545 13.162) 17.013 3.915 ( -7.925 -2.731 -1.430) 8.503 4.211 ( -3.121 4.200 -12.934) 13.952 5.060 ( 7.796 -1.217 14.284) 16.319 5.489 ( -2.162 -4.301 -2.618) 5.479 5.764 ( -2.665 -7.216 14.959) 16.821 6.224 ( 0.439 6.736 -8.870) 11.146 6.439 ( 7.526 5.813 7.184) 11.918 6.759 ( -3.064 0.531 -10.895) 11.330 7.021 ( 4.204 -3.837 3.055) 6.460 7.531 ( -7.361 3.370 -9.696) 12.632 8.103 ( 7.108 10.250 0.340) 12.478 8.249 ( -4.168 5.976 4.146) 8.383 9.367 ( 6.031 -12.545 4.800) 14.723 9.645 ( -7.575 -14.010 5.182) 16.749 11.211 ( -2.513 -1.385 4.149) 5.044 11.428 ( -1.519 3.503 -7.830) 8.711 12.069 ( 1.326 -8.760 11.471) 14.494 12.412 ( -0.652 -3.768 -7.371) 8.304 13.139 ( 5.898 -2.746 -7.520) 9.944 13.265 ( -10.716 -2.875 -0.437) 11.103 14.854 ( 0.776 12.021 11.655) 16.761 15.090 ( 0.050 10.773 -4.322) 11.608 17.216 ( 3.313 4.470 -5.347) 7.716 17.571 ( -18.631 -4.671 -3.772) 19.574 18.722 ( -1.790 -7.826 12.552) 14.900 19.045 ( -0.795 -4.165 -9.072) 10.014 20.961 ( 23.576 11.035 -2.723) 26.172 21.496 ( -11.234 -0.119 4.075) 11.951 21.764 ( 4.463 2.567 8.796) 10.192 22.310 ( -4.289 -3.975 -9.655) 11.288 ======================= Grid point 528 (269/300) ======================= q-point: (-0.36 -0.73 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.505 4.025 4.790) 7.172 1.835 ( -0.386 7.714 -7.946) 11.081 2.256 ( 9.235 3.187 0.889) 9.809 2.439 ( -11.469 3.550 -1.339) 12.081 3.663 ( 19.001 -2.783 2.556) 19.373 3.722 ( -6.480 -0.243 7.218) 9.703 3.883 ( -1.066 1.511 -4.115) 4.511 4.091 ( -9.831 0.325 -9.983) 14.015 5.158 ( 7.042 0.231 13.520) 15.246 5.525 ( -5.053 -2.608 -4.362) 7.167 5.847 ( -3.952 -2.243 9.695) 10.707 6.045 ( -0.817 8.822 -8.692) 12.412 6.429 ( 4.922 2.732 14.443) 15.501 6.760 ( -0.568 -1.612 -9.708) 9.857 7.154 ( 5.356 -6.462 2.659) 8.804 7.424 ( -8.750 -0.879 -7.122) 11.316 7.968 ( 9.857 11.147 1.254) 14.933 8.104 ( -5.896 5.888 0.391) 8.342 9.617 ( 5.157 -7.790 7.461) 11.956 9.817 ( -5.906 -8.972 0.812) 10.772 11.232 ( -2.364 -2.237 4.517) 5.567 11.385 ( 0.630 -1.134 -8.210) 8.312 12.212 ( 0.396 -3.019 9.852) 10.312 12.418 ( 0.614 1.580 -5.991) 6.226 13.238 ( 3.348 -4.773 -2.356) 6.289 13.296 ( -3.770 -6.929 -2.062) 8.153 14.674 ( -2.187 9.342 11.940) 15.317 14.895 ( 0.287 8.723 -6.860) 11.101 17.234 ( 10.675 -1.673 -0.354) 10.811 17.533 ( -18.370 -7.441 -5.083) 20.461 18.859 ( -1.000 -4.924 11.264) 12.334 19.076 ( 0.357 -1.490 -6.088) 6.278 20.931 ( 23.292 11.253 -1.150) 25.893 21.255 ( -21.314 8.706 -0.194) 23.024 21.910 ( 9.859 -5.748 10.713) 15.653 22.310 ( -5.672 -2.629 -10.192) 11.957 ======================= Grid point 529 (270/300) ======================= q-point: (-0.27 -0.73 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.779 1.623 -0.160) 3.222 1.694 ( 0.220 5.374 -6.513) 8.447 2.239 ( -5.723 3.321 3.216) 7.357 2.289 ( 3.534 5.730 -1.417) 6.879 3.652 ( -3.977 -0.520 2.691) 4.830 3.769 ( 6.080 6.026 -8.049) 11.750 3.974 ( 1.428 -6.501 2.740) 7.198 4.051 ( -0.356 -6.964 -4.632) 8.371 5.213 ( 4.002 1.461 13.123) 13.797 5.477 ( -6.594 0.935 -9.520) 11.619 5.842 ( -3.856 1.729 4.730) 6.343 5.899 ( 1.281 5.083 0.583) 5.274 6.472 ( 5.864 0.461 12.497) 13.812 6.692 ( -4.359 5.000 -8.430) 10.727 7.339 ( 2.793 -7.489 1.964) 8.231 7.418 ( -3.632 -5.283 -4.682) 7.939 7.859 ( 6.030 7.947 4.947) 11.135 7.966 ( -3.799 2.968 -5.139) 7.046 9.752 ( 2.150 -1.973 8.087) 8.597 9.872 ( -3.320 -0.927 -2.716) 4.389 11.301 ( -0.036 -5.427 4.958) 7.350 11.426 ( -0.290 -4.244 -6.336) 7.631 12.229 ( -0.383 2.654 6.385) 6.925 12.346 ( 0.833 5.125 -4.390) 6.799 13.336 ( -4.878 -6.065 3.091) 8.374 13.433 ( 5.855 -6.805 -5.420) 10.487 14.541 ( -3.497 5.283 12.682) 14.176 14.765 ( 1.098 3.615 -8.483) 9.286 17.432 ( 15.926 -7.661 4.098) 18.142 17.542 ( -16.718 -9.393 -6.075) 20.115 18.917 ( -1.939 0.296 10.784) 10.961 19.092 ( 1.646 -0.960 -5.522) 5.842 20.871 ( 3.524 10.829 2.975) 11.770 20.944 ( -4.388 8.935 -3.297) 10.486 22.104 ( 7.079 -5.335 7.574) 11.659 22.283 ( -5.484 -1.686 -8.998) 10.671 ======================= Grid point 530 (271/300) ======================= q-point: (-0.18 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -4.185 4.682 -0.893) 6.343 1.678 ( 5.677 -1.231 -6.445) 8.677 2.089 ( -11.478 2.467 0.572) 11.754 2.279 ( 12.828 5.183 1.827) 13.955 3.649 ( -9.681 -2.743 -5.108) 11.284 3.700 ( 7.511 3.463 1.949) 8.497 4.006 ( -12.074 -6.044 1.513) 13.587 4.308 ( 17.029 -8.798 -5.407) 19.916 5.208 ( -4.999 2.412 9.640) 11.124 5.389 ( 0.617 2.520 -6.829) 7.305 5.779 ( -0.450 2.763 8.295) 8.755 5.860 ( -0.862 0.795 -1.577) 1.965 6.467 ( -7.188 7.249 -1.178) 10.276 6.571 ( 10.300 3.811 3.772) 11.612 7.392 ( -5.369 -1.542 -0.522) 5.610 7.493 ( 3.166 0.972 -2.798) 4.336 7.838 ( -4.508 -6.860 3.417) 8.892 7.968 ( 4.365 -3.375 -3.995) 6.812 9.739 ( -6.567 3.440 1.649) 7.594 9.824 ( 5.287 5.356 3.151) 8.159 11.433 ( -0.952 -7.181 3.334) 7.974 11.495 ( -0.508 -4.407 -3.029) 5.372 12.148 ( -1.905 5.962 4.133) 7.501 12.264 ( 3.486 3.376 -3.391) 5.920 13.382 ( -8.232 -3.327 2.983) 9.367 13.580 ( 6.270 -4.786 -5.310) 9.509 14.491 ( -3.709 0.493 14.693) 15.162 14.753 ( 3.004 -2.895 -9.753) 10.608 17.566 ( -17.832 -10.184 -5.695) 21.310 17.775 ( 20.920 -10.896 5.271) 24.169 18.870 ( -5.282 4.219 12.272) 14.010 19.108 ( 3.043 -0.424 -8.465) 9.005 20.596 ( -21.056 6.053 -2.139) 22.013 20.877 ( 20.840 10.344 2.847) 23.440 22.195 ( -6.442 -2.303 -0.722) 6.879 22.296 ( 5.467 -2.267 -1.680) 6.152 ======================= Grid point 531 (272/300) ======================= q-point: (-0.09 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -5.000 0.012 5.470) 7.411 1.752 ( 5.777 -2.922 -6.894) 9.457 2.013 ( -3.017 -0.404 -1.629) 3.452 2.276 ( 10.664 5.348 2.029) 12.101 3.587 ( -9.641 -0.649 -0.610) 9.682 3.766 ( 4.118 -3.534 4.629) 7.133 4.033 ( -9.255 -5.521 -1.607) 10.896 4.544 ( 13.837 -4.469 -7.851) 16.525 5.084 ( -12.282 4.030 1.936) 13.071 5.385 ( 8.164 2.365 3.775) 9.301 5.801 ( 1.557 -2.336 11.386) 11.727 5.842 ( -3.745 -1.772 -4.919) 6.431 6.217 ( -5.821 12.608 0.949) 13.919 6.581 ( 14.537 7.004 -2.170) 16.282 7.381 ( -5.271 -2.607 -0.481) 5.900 7.474 ( 0.099 -1.409 -1.248) 1.884 8.000 ( -3.885 -11.245 -2.671) 12.194 8.087 ( 3.416 -5.704 1.294) 6.773 9.570 ( -7.444 8.144 -0.564) 11.048 9.757 ( 5.998 8.430 7.184) 12.596 11.526 ( -1.966 -0.740 -0.268) 2.118 11.548 ( -3.438 -5.449 -0.992) 6.519 12.039 ( -2.857 4.233 5.977) 7.862 12.278 ( 6.711 -1.406 -3.131) 7.538 13.349 ( -10.006 -0.523 0.992) 10.069 13.670 ( 3.884 -2.055 -5.458) 7.007 14.526 ( -4.210 -3.875 16.448) 17.415 14.868 ( 4.891 -8.074 -9.871) 13.658 17.602 ( -17.350 -9.600 -6.380) 20.830 18.134 ( 18.864 -8.582 4.087) 21.123 18.749 ( -9.748 5.277 14.439) 18.203 19.137 ( 4.934 -2.754 -10.596) 12.009 20.351 ( -15.426 4.605 -5.787) 17.107 20.872 ( 20.326 8.161 6.370) 22.810 22.162 ( -8.908 -1.866 -1.604) 9.242 22.372 ( 5.745 -0.581 -0.765) 5.825 ======================= Grid point 536 (273/300) ======================= q-point: ( 0.36 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 11.614 0.000 7.125) 13.625 2.040 ( -0.152 -0.000 7.672) 7.673 2.470 ( -6.358 -0.000 2.449) 6.813 2.733 ( 16.240 0.000 -12.268) 20.353 3.091 ( -2.076 -0.000 -2.980) 3.632 3.709 ( -13.975 -0.000 2.992) 14.292 4.239 ( -7.027 -0.000 6.909) 9.855 4.461 ( -4.740 -0.000 -14.348) 15.111 4.850 ( 0.005 0.000 28.810) 28.810 5.274 ( 8.342 0.000 -6.896) 10.823 5.364 ( 7.633 0.000 27.505) 28.545 6.431 ( 14.720 0.000 -16.050) 21.777 6.469 ( -4.733 -0.000 15.386) 16.097 6.876 ( -2.742 -0.000 -22.351) 22.519 7.297 ( 0.720 0.000 -3.083) 3.166 7.812 ( -4.188 -0.000 -12.448) 13.133 8.323 ( -2.879 -0.000 14.387) 14.672 8.341 ( 6.520 0.000 -2.510) 6.987 8.858 ( 1.642 0.000 -5.436) 5.679 9.059 ( -11.134 -0.000 13.053) 17.157 11.345 ( 1.304 0.000 7.146) 7.264 11.421 ( -2.290 -0.000 3.760) 4.403 11.830 ( -4.722 -0.000 -4.642) 6.621 12.103 ( -8.653 -0.000 -7.040) 11.155 13.055 ( 3.876 0.000 -10.579) 11.266 13.367 ( -13.647 -0.000 -4.816) 14.472 15.315 ( 6.790 0.000 5.578) 8.788 15.495 ( -1.721 -0.000 3.021) 3.477 17.496 ( -2.453 -0.000 -5.580) 6.095 17.706 ( -15.099 -0.000 -3.750) 15.558 18.412 ( -11.902 -0.000 16.969) 20.726 18.703 ( 2.721 0.000 -13.290) 13.565 21.265 ( 11.736 0.000 7.109) 13.721 21.321 ( 11.564 0.000 -7.867) 13.986 21.989 ( -1.448 -0.000 -4.191) 4.434 22.163 ( -4.839 -0.000 2.116) 5.281 ======================= Grid point 537 (274/300) ======================= q-point: ( 0.45 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.139 6.005 9.709) 11.473 2.085 ( 11.131 -2.456 6.555) 13.149 2.354 ( -6.426 6.560 -0.376) 9.191 2.728 ( -1.140 3.548 -14.945) 15.402 3.170 ( 13.180 -4.070 2.007) 13.940 3.675 ( -14.114 -6.576 0.096) 15.571 4.143 ( -4.989 5.520 9.902) 12.386 4.384 ( -5.635 2.306 -8.131) 10.158 4.955 ( 2.885 -4.338 19.554) 20.236 5.347 ( 4.035 -3.033 -5.822) 7.706 5.511 ( 7.459 -2.664 27.278) 28.405 6.407 ( -0.930 3.811 2.321) 4.559 6.528 ( 6.450 -1.761 -7.667) 10.173 6.793 ( -4.206 0.425 -20.945) 21.367 7.192 ( 3.610 10.510 4.339) 11.930 7.713 ( -6.447 4.187 -12.910) 15.025 8.338 ( 3.764 0.301 3.805) 5.361 8.375 ( -0.644 1.170 4.777) 4.960 8.936 ( 5.069 -7.061 -1.611) 8.840 9.105 ( -11.073 -11.089 9.343) 18.244 11.276 ( 1.480 5.081 5.559) 7.675 11.520 ( -2.367 -3.579 1.540) 4.559 11.772 ( -0.313 -1.159 -0.126) 1.207 12.124 ( -6.185 -8.876 -8.792) 13.940 13.076 ( 5.207 -0.839 -9.387) 10.767 13.249 ( -13.237 0.514 -2.800) 13.539 15.292 ( 5.583 8.587 5.994) 11.867 15.432 ( -1.769 5.749 1.646) 6.236 17.428 ( -0.357 4.534 -6.725) 8.119 17.557 ( -13.811 3.031 -2.130) 14.299 18.426 ( -7.565 -6.074 16.917) 19.501 18.780 ( 2.241 -7.664 -13.780) 15.927 21.300 ( 14.058 5.769 -1.973) 15.323 21.388 ( 3.087 -1.677 3.616) 5.042 21.958 ( -1.378 3.190 0.237) 3.483 22.153 ( -4.104 -2.975 -3.313) 6.056 ======================= Grid point 538 (275/300) ======================= q-point: (-0.45 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 1.830 8.453 10.445) 13.561 2.159 ( -1.352 8.560 -8.073) 11.844 2.228 ( 5.562 -2.376 9.451) 11.221 2.586 ( -7.379 3.942 -10.863) 13.711 3.398 ( 17.290 -6.702 2.196) 18.673 3.699 ( -14.257 -7.374 -2.457) 16.238 3.999 ( -7.683 8.636 17.975) 21.371 4.290 ( 3.049 4.125 -12.273) 13.302 5.102 ( 4.239 -4.167 14.642) 15.803 5.399 ( -0.632 -2.771 -5.693) 6.363 5.677 ( 2.784 -4.336 24.330) 24.869 6.311 ( -2.106 5.065 -8.373) 10.010 6.549 ( -0.837 1.039 -1.526) 2.027 6.723 ( 0.718 0.483 -15.068) 15.092 7.091 ( 7.163 5.221 9.687) 13.130 7.529 ( -8.498 5.590 -12.557) 16.160 8.307 ( -0.425 5.986 4.000) 7.212 8.330 ( 2.956 4.678 0.653) 5.572 9.180 ( 5.871 -13.350 4.069) 15.141 9.307 ( -8.028 -16.157 3.933) 18.466 11.231 ( 1.759 2.729 5.661) 6.526 11.461 ( -2.975 3.483 -7.592) 8.867 11.928 ( 2.680 -9.947 10.234) 14.521 12.251 ( -2.330 -9.805 -10.594) 14.622 13.123 ( 3.915 -1.926 -6.232) 7.607 13.153 ( -8.781 -0.670 -1.653) 8.960 15.131 ( 2.627 13.377 8.593) 16.115 15.275 ( -0.900 9.797 -1.533) 9.957 17.325 ( 3.970 5.430 -6.098) 9.079 17.407 ( -13.412 1.057 -1.404) 13.526 18.569 ( -4.067 -9.432 15.628) 18.701 18.911 ( 1.611 -7.410 -13.158) 15.186 21.291 ( 17.577 7.321 -2.777) 19.242 21.421 ( -7.808 -0.728 4.492) 9.037 21.873 ( 1.782 4.506 7.402) 8.847 22.176 ( -4.754 -3.980 -9.253) 11.139 ======================= Grid point 539 (276/300) ======================= q-point: (-0.36 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 1.922 7.401 8.191) 11.206 1.967 ( -0.963 8.602 -8.579) 12.187 2.294 ( -4.166 -0.195 8.066) 9.081 2.466 ( 0.922 2.968 -7.792) 8.389 3.651 ( 3.628 -5.732 4.315) 8.040 3.712 ( -4.931 -5.976 -0.836) 7.793 3.833 ( -4.522 5.069 13.312) 14.945 4.188 ( 7.764 8.770 -16.662) 20.367 5.234 ( 5.935 -2.391 13.538) 14.974 5.419 ( -5.483 -2.777 -4.328) 7.517 5.791 ( -2.465 -2.659 18.368) 18.722 6.155 ( -2.113 6.525 -13.523) 15.163 6.511 ( -2.663 1.223 9.078) 9.539 6.729 ( 5.221 -0.786 -11.575) 12.722 7.136 ( 7.447 -1.258 8.344) 11.254 7.350 ( -9.986 2.879 -10.643) 14.876 8.178 ( -4.898 6.536 2.916) 8.673 8.230 ( 7.377 9.501 -1.722) 12.151 9.470 ( -0.997 -13.192 8.215) 15.573 9.568 ( 0.948 -14.150 -0.865) 14.208 11.218 ( 0.396 0.989 5.755) 5.853 11.381 ( 0.222 1.629 -9.202) 9.348 12.138 ( 0.886 -7.723 11.511) 13.890 12.373 ( 0.946 -5.635 -10.238) 11.725 13.120 ( -8.648 -4.261 1.848) 9.816 13.211 ( 7.364 -3.566 -6.478) 10.436 14.903 ( -0.844 13.696 11.066) 17.628 15.070 ( 0.135 10.915 -4.913) 11.971 17.300 ( 2.031 0.121 -1.684) 2.642 17.318 ( -4.657 -1.312 -2.935) 5.659 18.749 ( -1.998 -8.553 13.515) 16.118 19.007 ( 1.209 -4.564 -10.195) 11.235 21.248 ( -19.266 7.218 1.343) 20.617 21.288 ( 19.537 9.020 -2.298) 21.641 21.922 ( 7.503 -2.840 12.083) 14.503 22.178 ( -6.478 -3.521 -11.833) 13.942 ======================= Grid point 540 (277/300) ======================= q-point: (-0.27 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.653 4.590 3.353) 5.721 1.803 ( 1.451 7.089 -8.449) 11.124 2.199 ( -14.488 2.669 4.902) 15.526 2.457 ( 10.995 3.359 -1.805) 11.637 3.581 ( -15.038 0.487 7.816) 16.955 3.782 ( -8.082 -4.064 0.232) 9.049 3.985 ( 17.613 -8.058 1.451) 19.423 4.024 ( 8.349 10.955 -15.026) 20.384 5.305 ( 1.496 2.364 11.477) 11.813 5.404 ( -4.882 -2.516 -5.115) 7.505 5.824 ( -4.511 -0.682 11.688) 12.547 6.016 ( 0.985 5.814 -5.441) 8.023 6.516 ( -1.097 -0.752 10.220) 10.307 6.731 ( 2.739 2.148 -10.863) 11.407 7.243 ( -5.025 -2.303 -1.725) 5.791 7.283 ( 3.321 -6.095 1.815) 7.174 7.996 ( -7.523 8.344 -1.256) 11.304 8.115 ( 8.738 8.872 -0.665) 12.471 9.662 ( -5.535 -8.633 5.353) 11.568 9.800 ( 5.998 -7.390 0.240) 9.521 11.236 ( -0.084 -1.954 5.383) 5.727 11.367 ( 1.626 -1.247 -7.707) 7.975 12.251 ( -0.791 -2.011 8.327) 8.602 12.407 ( 1.840 1.107 -6.955) 7.279 13.176 ( -6.128 -6.869 1.691) 9.359 13.345 ( 6.892 -6.119 -4.973) 10.472 14.687 ( -3.124 10.326 12.456) 16.478 14.877 ( 1.548 8.709 -6.833) 11.178 17.270 ( -12.909 -4.883 -3.509) 14.241 17.454 ( 16.865 -5.331 2.056) 17.807 18.890 ( -1.129 -4.580 10.838) 11.820 19.058 ( 0.884 -2.360 -6.754) 7.209 20.906 ( -24.250 10.206 0.504) 26.315 21.268 ( 21.001 10.058 -0.786) 23.298 22.067 ( 1.192 -4.330 6.819) 8.165 22.176 ( -2.041 -3.901 -8.435) 9.515 ======================= Grid point 541 (278/300) ======================= q-point: (-0.18 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.866 4.893 -4.509) 6.911 1.711 ( 3.410 2.763 -3.456) 5.586 2.044 ( -12.704 2.599 2.101) 13.136 2.476 ( 12.642 4.423 1.357) 13.462 3.501 ( -13.489 -2.555 0.333) 13.733 3.806 ( -6.552 -4.400 -0.301) 7.898 3.875 ( 5.353 7.301 -7.453) 11.726 4.272 ( 17.198 -8.150 -0.900) 19.053 5.220 ( -9.932 3.269 2.142) 10.674 5.435 ( 5.617 0.104 3.161) 6.446 5.811 ( -3.354 0.581 6.410) 7.257 5.923 ( 1.371 4.963 0.601) 5.184 6.500 ( -6.242 2.901 -2.111) 7.199 6.702 ( 8.056 1.421 3.036) 8.726 7.266 ( -6.741 -5.416 -2.264) 8.939 7.468 ( 5.799 -7.281 1.330) 9.403 7.768 ( -10.504 7.132 -3.192) 13.091 8.047 ( 8.036 5.045 -0.133) 9.489 9.720 ( -5.833 -1.521 1.165) 6.140 9.922 ( 6.254 -0.497 3.756) 7.312 11.306 ( -1.753 -4.790 2.947) 5.891 11.419 ( 2.378 -4.006 -3.222) 5.665 12.245 ( -0.634 3.381 3.623) 4.996 12.350 ( 1.808 4.157 -3.077) 5.479 13.252 ( -6.128 -5.265 1.412) 8.201 13.499 ( 4.667 -6.389 -4.251) 8.981 14.547 ( -3.191 5.026 13.136) 14.422 14.764 ( 3.267 3.475 -7.378) 8.785 17.273 ( -13.030 -6.941 -4.765) 15.513 17.751 ( 20.682 -9.871 5.009) 23.458 18.921 ( -3.545 1.967 9.843) 10.645 19.090 ( 1.549 -1.694 -6.659) 7.043 20.553 ( -22.961 7.695 0.336) 24.218 21.233 ( 20.199 10.609 0.876) 22.832 22.079 ( -10.238 -2.850 -5.003) 11.746 22.285 ( 6.759 -4.021 1.853) 8.080 ======================= Grid point 542 (279/300) ======================= q-point: (-0.09 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -3.272 4.949 -1.324) 6.078 1.730 ( 3.974 -1.952 -4.424) 6.259 1.958 ( -5.367 -1.030 -1.486) 5.664 2.484 ( 12.566 5.792 2.285) 14.024 3.459 ( -12.139 -3.313 -3.133) 12.967 3.804 ( 4.310 2.355 2.012) 5.308 3.857 ( -6.028 -5.442 -3.863) 8.993 4.525 ( 13.104 -6.549 -3.664) 15.100 5.071 ( -11.736 3.966 0.436) 12.396 5.493 ( 8.768 0.830 7.680) 11.685 5.803 ( -1.054 -0.486 4.274) 4.428 5.845 ( 0.056 3.931 0.427) 3.954 6.346 ( -6.653 6.370 -2.018) 9.429 6.775 ( 12.860 2.788 3.806) 13.699 7.293 ( -6.822 -2.946 -1.462) 7.573 7.485 ( -2.471 4.421 -3.516) 6.165 7.746 ( -4.886 -11.289 -1.675) 12.415 8.060 ( 5.651 -0.646 1.298) 5.834 9.645 ( -5.042 4.814 0.092) 6.972 9.939 ( 5.325 4.549 6.751) 9.727 11.386 ( -4.312 -6.313 -0.868) 7.694 11.502 ( 0.821 -2.319 0.566) 2.524 12.147 ( -0.253 6.259 2.769) 6.849 12.315 ( 4.233 1.155 -1.378) 4.599 13.265 ( -7.386 -1.520 0.864) 7.590 13.613 ( 0.904 -4.297 -4.250) 6.111 14.508 ( -2.228 0.415 13.539) 13.727 14.776 ( 4.506 -3.211 -7.493) 9.315 17.301 ( -13.056 -8.061 -5.960) 16.461 18.113 ( 19.116 -10.224 5.217) 22.297 18.819 ( -8.163 6.064 11.125) 15.073 19.109 ( 2.086 -1.049 -8.875) 9.176 20.302 ( -14.997 3.525 -1.374) 15.467 21.197 ( 18.868 9.651 3.716) 21.517 22.036 ( -11.433 -2.799 -3.697) 12.338 22.391 ( 5.567 -1.986 0.053) 5.911 ======================= Grid point 548 (280/300) ======================= q-point: (-0.55 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.330 0.000 9.648) 9.654 2.167 ( 11.284 0.000 9.567) 14.794 2.354 ( -9.636 -0.000 1.565) 9.762 2.712 ( -4.606 -0.000 -16.545) 17.174 3.258 ( 19.227 0.000 -1.226) 19.266 3.494 ( -15.454 -0.000 1.208) 15.501 4.171 ( -6.052 -0.000 8.815) 10.693 4.341 ( -4.069 -0.000 -8.108) 9.072 4.957 ( -1.313 -0.000 24.080) 24.116 5.347 ( 5.837 0.000 -9.821) 11.425 5.635 ( 10.636 0.000 30.443) 32.247 6.450 ( -6.166 -0.000 13.994) 15.292 6.473 ( -1.423 -0.000 -22.114) 22.160 6.753 ( 3.737 0.000 -21.090) 21.419 7.341 ( 3.142 0.000 5.258) 6.125 7.681 ( -5.569 -0.000 -13.356) 14.471 8.312 ( -5.851 -0.000 12.583) 13.877 8.430 ( 7.213 0.000 -4.568) 8.538 8.916 ( 8.095 0.000 -3.057) 8.653 8.929 ( -12.277 -0.000 10.423) 16.105 11.414 ( 2.818 0.000 7.372) 7.892 11.429 ( 1.356 0.000 3.373) 3.636 11.780 ( 1.611 0.000 -5.826) 6.045 11.942 ( -7.710 -0.000 -9.103) 11.929 13.093 ( 6.595 0.000 -8.378) 10.662 13.147 ( -12.969 -0.000 -1.311) 13.035 15.431 ( 6.118 0.000 2.141) 6.482 15.472 ( -2.950 -0.000 3.079) 4.264 17.467 ( 2.057 0.000 -5.562) 5.931 17.504 ( -9.563 -0.000 -1.749) 9.722 18.334 ( -9.126 -0.000 20.010) 21.993 18.703 ( 5.196 0.000 -15.398) 16.251 21.375 ( -0.802 -0.000 5.546) 5.604 21.438 ( 8.014 0.000 -5.930) 9.970 22.004 ( 5.151 0.000 -2.068) 5.551 22.082 ( -6.721 -0.000 0.417) 6.734 ======================= Grid point 549 (281/300) ======================= q-point: (-0.45 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -0.896 4.912 10.729) 11.834 2.239 ( -8.218 4.492 0.957) 9.414 2.278 ( 9.274 -0.454 8.066) 12.299 2.583 ( -6.106 4.786 -13.210) 15.319 3.435 ( 11.153 -4.003 -0.867) 11.882 3.452 ( -6.992 -6.314 -2.174) 9.669 4.105 ( -6.901 4.894 13.268) 15.735 4.314 ( 1.310 -0.912 -6.773) 6.958 5.041 ( -2.889 -4.931 19.263) 20.093 5.366 ( 3.302 -0.393 -10.627) 11.135 5.768 ( 9.178 1.093 29.923) 31.318 6.333 ( -6.816 3.523 -16.222) 17.945 6.474 ( -7.946 -2.954 2.644) 8.880 6.746 ( 7.712 1.110 -16.881) 18.592 7.296 ( 5.198 7.452 10.085) 13.574 7.548 ( -7.441 5.700 -13.220) 16.206 8.317 ( -6.444 -0.876 8.871) 11.000 8.458 ( 7.750 2.269 -4.081) 9.048 8.953 ( -10.779 -10.064 8.869) 17.209 9.064 ( 9.498 -9.092 -2.030) 13.304 11.350 ( 4.827 5.512 5.865) 9.385 11.476 ( -2.224 1.781 -4.399) 5.241 11.819 ( 4.181 -5.635 4.410) 8.287 12.006 ( -2.731 -10.960 -11.303) 15.979 13.055 ( -10.991 -0.242 1.202) 11.059 13.141 ( 7.546 -0.931 -6.958) 10.307 15.379 ( 1.496 8.511 3.695) 9.399 15.414 ( 0.329 6.118 0.316) 6.135 17.384 ( -7.110 4.688 0.489) 8.530 17.443 ( 4.903 4.014 -5.527) 8.408 18.398 ( -6.325 -8.125 19.204) 21.791 18.773 ( 4.912 -6.026 -15.382) 17.235 21.361 ( -7.283 0.194 4.852) 8.753 21.471 ( 9.242 1.307 -4.977) 10.578 21.976 ( -0.501 3.790 4.197) 5.677 22.077 ( -0.975 -1.840 -5.402) 5.789 ======================= Grid point 550 (282/300) ======================= q-point: (-0.36 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.931 7.371 10.118) 12.553 2.082 ( -3.674 7.050 -5.011) 9.398 2.292 ( -6.211 3.548 7.085) 10.067 2.488 ( 3.561 -0.167 -6.534) 7.443 3.462 ( -14.174 -6.712 -2.446) 15.873 3.661 ( 14.911 -5.553 0.563) 15.921 3.954 ( -6.813 7.434 15.567) 18.548 4.339 ( 9.126 2.499 -10.536) 14.161 5.160 ( -4.818 -7.479 13.237) 15.949 5.363 ( 0.015 0.088 -7.630) 7.630 5.852 ( 4.718 2.627 27.255) 27.785 6.175 ( -6.496 2.867 -20.020) 21.242 6.471 ( -7.161 -2.131 6.376) 9.822 6.756 ( 7.604 0.722 -12.772) 14.882 7.249 ( 5.046 4.380 10.508) 12.452 7.342 ( -6.497 6.437 -10.710) 14.084 8.247 ( -6.415 4.357 4.716) 9.076 8.432 ( 7.745 6.272 -3.986) 10.733 9.146 ( -9.742 -16.384 6.317) 20.081 9.360 ( 10.327 -13.827 -0.187) 17.259 11.302 ( 3.434 4.811 5.191) 7.866 11.399 ( 0.364 2.388 -8.089) 8.442 12.008 ( 1.040 -9.233 8.555) 12.630 12.197 ( 2.953 -11.280 -11.369) 16.285 13.004 ( -8.475 -1.991 3.384) 9.340 13.211 ( 8.291 -1.631 -5.611) 10.143 15.183 ( -0.589 13.853 6.416) 15.278 15.258 ( 0.194 10.119 -2.421) 10.407 17.250 ( -6.670 3.794 1.113) 7.753 17.419 ( 10.675 2.877 -2.937) 11.440 18.581 ( -3.271 -10.609 16.316) 19.735 18.896 ( 3.869 -6.387 -13.492) 15.421 21.231 ( -17.032 5.746 2.511) 18.150 21.515 ( 12.617 2.088 -4.094) 13.428 21.951 ( -0.388 -0.788 7.304) 7.357 22.076 ( -0.035 -0.408 -7.014) 7.026 ======================= Grid point 551 (283/300) ======================= q-point: (-0.27 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.925 8.011 6.353) 10.266 1.920 ( -0.257 6.595 -7.937) 10.323 2.160 ( -12.679 3.377 5.956) 14.410 2.543 ( 6.885 -0.868 -1.857) 7.184 3.447 ( -15.031 -3.284 1.544) 15.463 3.736 ( -4.320 3.113 9.330) 10.742 3.970 ( 11.956 -5.667 2.151) 13.405 4.278 ( 12.472 9.383 -14.421) 21.250 5.267 ( -9.070 -4.240 -3.987) 10.777 5.346 ( -0.275 -2.151 8.370) 8.646 5.860 ( -0.294 3.630 21.521) 21.827 6.072 ( -1.073 1.574 -12.721) 12.863 6.477 ( -5.195 -2.230 5.951) 8.208 6.766 ( 4.951 1.342 -10.819) 11.973 7.152 ( -9.700 0.877 -8.128) 12.686 7.308 ( 8.951 0.928 10.302) 13.679 8.094 ( -6.216 7.572 0.914) 9.839 8.336 ( 7.084 8.783 -3.683) 11.869 9.392 ( -7.604 -15.366 2.928) 17.393 9.680 ( 8.586 -11.950 1.469) 14.788 11.262 ( 1.967 2.140 4.206) 5.113 11.366 ( 3.081 1.352 -6.855) 7.636 12.175 ( -1.780 -6.868 6.225) 9.439 12.371 ( 4.376 -5.638 -8.074) 10.776 13.022 ( -5.394 -5.069 3.128) 8.036 13.305 ( 8.001 -3.159 -4.171) 9.560 14.918 ( -3.271 14.245 9.856) 17.629 15.058 ( 1.273 10.700 -5.225) 11.975 17.157 ( -6.075 1.162 0.168) 6.188 17.514 ( 16.482 -2.384 1.228) 16.699 18.782 ( -0.923 -8.900 12.397) 15.289 18.993 ( 2.497 -4.061 -9.478) 10.609 20.916 ( -23.900 10.683 1.016) 26.199 21.556 ( 15.664 4.772 -2.123) 16.512 21.967 ( -8.276 -2.364 -5.774) 10.365 22.121 ( 6.128 -3.395 4.484) 8.317 ======================= Grid point 552 (284/300) ======================= q-point: (-0.18 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.731 6.098 -2.469) 6.803 1.807 ( 1.955 5.336 -4.639) 7.336 2.011 ( -12.244 3.396 5.352) 13.788 2.603 ( 7.263 0.048 0.077) 7.263 3.369 ( -13.708 -0.545 3.827) 14.242 3.699 ( -3.902 -1.371 3.321) 5.304 4.057 ( 5.638 6.928 -11.104) 14.251 4.283 ( 17.867 -3.605 -1.165) 18.264 5.177 ( -11.650 1.375 -4.796) 12.674 5.456 ( 2.432 -4.131 8.646) 9.886 5.827 ( -2.476 2.621 14.319) 14.766 6.015 ( 1.305 3.368 -4.683) 5.914 6.476 ( -6.180 -0.040 -1.611) 6.387 6.746 ( 2.663 -0.388 -2.954) 3.995 7.123 ( -4.801 -4.280 -3.552) 7.347 7.412 ( 6.686 -3.277 7.205) 10.362 7.876 ( -6.705 10.688 -2.573) 12.876 8.220 ( 5.899 7.910 -2.627) 10.211 9.579 ( -5.355 -9.443 -0.011) 10.856 9.911 ( 5.791 -6.480 3.018) 9.200 11.274 ( 1.948 0.133 5.219) 5.572 11.372 ( 3.033 -1.826 -5.794) 6.791 12.253 ( -2.044 -2.284 2.870) 4.199 12.414 ( 1.785 1.711 -4.069) 4.762 13.109 ( -2.760 -6.455 0.582) 7.044 13.427 ( 6.015 -4.629 -2.629) 8.032 14.684 ( -4.347 9.968 12.017) 16.207 14.884 ( 2.940 8.049 -6.422) 10.708 17.114 ( -5.789 -1.393 -1.226) 6.079 17.754 ( 19.904 -7.526 4.623) 21.775 18.919 ( -0.747 -3.040 8.930) 9.463 19.045 ( 1.283 -2.406 -6.781) 7.309 20.534 ( -24.609 9.644 1.500) 26.474 21.559 ( 17.433 8.374 -0.222) 19.341 21.916 ( -12.461 -3.306 -9.393) 15.951 22.263 ( 6.295 -4.493 5.418) 9.443 ======================= Grid point 553 (285/300) ======================= q-point: (-0.09 -0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -2.030 5.616 -6.349) 8.716 1.738 ( 1.261 1.911 -1.410) 2.688 1.907 ( -5.717 0.509 0.829) 5.799 2.646 ( 7.592 1.741 1.547) 7.942 3.306 ( -10.026 -2.285 -0.187) 10.284 3.723 ( -3.064 -3.347 -0.092) 4.539 3.930 ( 4.441 6.838 -6.939) 10.707 4.505 ( 12.851 -5.773 0.196) 14.090 5.044 ( -11.274 2.633 -1.524) 11.677 5.563 ( 5.962 -2.350 7.778) 10.078 5.800 ( -1.758 0.792 7.253) 7.505 5.936 ( 0.179 5.093 -1.595) 5.340 6.366 ( -8.023 3.433 -4.741) 9.931 6.857 ( 7.902 -5.030 6.563) 11.438 7.171 ( -3.698 -4.137 -3.126) 6.369 7.547 ( 1.113 -6.621 2.232) 7.075 7.603 ( -5.944 11.648 -4.563) 13.850 8.139 ( 4.278 4.380 -1.034) 6.209 9.647 ( -3.419 -1.687 -0.828) 3.901 10.022 ( 3.494 -0.910 5.239) 6.363 11.290 ( -0.914 -1.179 0.861) 1.722 11.457 ( 3.167 -4.133 -0.278) 5.215 12.240 ( -0.675 3.013 -0.726) 3.172 12.363 ( 0.230 2.251 0.157) 2.269 13.186 ( -2.054 -3.239 -0.656) 3.891 13.535 ( 2.036 -3.951 -2.119) 4.924 14.553 ( -3.629 3.880 12.507) 13.588 14.793 ( 4.177 2.960 -6.697) 8.430 17.110 ( -5.854 -3.300 -2.726) 7.252 18.082 ( 18.459 -9.753 5.936) 21.705 18.888 ( -6.085 5.060 8.102) 11.326 19.082 ( 1.605 -1.713 -7.998) 8.335 20.250 ( -16.327 3.682 2.251) 16.887 21.518 ( 16.626 9.716 0.897) 19.277 21.868 ( -13.565 -4.006 -6.222) 15.452 22.385 ( 4.682 -3.116 1.838) 5.917 ======================= Grid point 560 (286/300) ======================= q-point: (-0.45 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -6.049 -0.000 8.966) 10.815 2.210 ( -10.144 -0.000 3.935) 10.881 2.364 ( 8.170 0.000 9.856) 12.802 2.590 ( -1.200 -0.000 -12.674) 12.731 3.263 ( -13.936 -0.000 -1.543) 14.021 3.544 ( 18.911 0.000 -3.837) 19.297 4.143 ( -3.014 -0.000 10.731) 11.146 4.276 ( -1.695 -0.000 -1.788) 2.464 5.011 ( -4.827 -0.000 21.828) 22.356 5.365 ( 3.212 0.000 -13.324) 13.706 5.919 ( 8.289 0.000 29.624) 30.762 6.247 ( -10.982 -0.000 -27.212) 29.344 6.408 ( -6.121 -0.000 11.743) 13.243 6.780 ( 7.955 0.000 -17.487) 19.211 7.425 ( 3.534 0.000 10.099) 10.700 7.532 ( -6.723 -0.000 -11.907) 13.674 8.267 ( -6.290 -0.000 10.684) 12.398 8.515 ( 6.935 0.000 -6.616) 9.585 8.794 ( -10.411 -0.000 8.779) 13.618 9.059 ( 11.591 0.000 -2.241) 11.806 11.473 ( 2.061 0.000 2.095) 2.938 11.482 ( 3.622 0.000 0.773) 3.704 11.804 ( -4.543 -0.000 -8.198) 9.373 11.842 ( 8.837 0.000 -2.319) 9.137 12.976 ( -9.821 -0.000 2.733) 10.194 13.183 ( 8.994 0.000 -4.874) 10.230 15.435 ( -3.104 -0.000 1.539) 3.465 15.515 ( 4.377 0.000 -0.719) 4.435 17.405 ( -3.026 -0.000 0.222) 3.034 17.518 ( 7.464 0.000 -3.473) 8.232 18.306 ( -6.341 -0.000 21.489) 22.405 18.724 ( 6.585 0.000 -15.911) 17.220 21.319 ( -8.407 -0.000 4.601) 9.584 21.509 ( 4.240 0.000 -6.281) 7.578 21.967 ( -8.192 -0.000 0.751) 8.226 22.100 ( 7.187 0.000 -0.741) 7.225 ======================= Grid point 561 (287/300) ======================= q-point: (-0.36 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -9.219 2.444 8.645) 12.872 2.128 ( -6.594 2.297 0.155) 6.984 2.387 ( -1.076 6.561 7.846) 10.284 2.514 ( 3.218 2.203 -4.937) 6.292 3.238 ( -9.707 -6.312 -3.914) 12.222 3.702 ( 16.492 -2.999 -2.620) 16.966 4.060 ( -5.616 6.643 12.044) 14.857 4.353 ( 4.969 -5.321 -0.594) 7.305 5.036 ( -7.831 -3.032 17.360) 19.284 5.359 ( 2.156 0.005 -11.808) 12.003 6.009 ( 4.156 2.053 27.288) 27.679 6.087 ( -11.056 0.971 -26.030) 28.297 6.402 ( -4.879 -0.859 9.524) 10.735 6.797 ( 7.443 0.369 -15.183) 16.914 7.346 ( -7.690 7.827 -5.191) 12.139 7.461 ( 5.428 3.963 6.398) 9.279 8.251 ( -6.375 0.280 6.934) 9.424 8.546 ( 6.580 1.310 -6.328) 9.223 8.832 ( -8.793 -10.010 7.558) 15.318 9.225 ( 11.576 -8.719 -1.632) 14.584 11.417 ( -0.954 5.415 -6.397) 8.435 11.473 ( 6.918 3.453 3.557) 8.511 11.853 ( -1.170 -7.904 -2.342) 8.326 12.020 ( 9.615 -9.592 -3.370) 13.993 12.925 ( -7.463 -0.972 4.667) 8.856 13.251 ( 9.596 -0.470 -3.200) 10.126 15.358 ( -2.749 6.072 -0.187) 6.668 15.453 ( 2.195 8.911 -0.167) 9.179 17.329 ( -0.719 6.073 2.499) 6.607 17.550 ( 10.984 2.646 -2.011) 11.476 18.404 ( -3.516 -8.913 19.198) 21.456 18.793 ( 6.427 -5.010 -14.865) 16.953 21.215 ( -13.757 4.413 3.746) 14.925 21.539 ( 1.537 -2.656 -7.955) 8.526 21.917 ( -4.946 -0.553 3.195) 5.914 22.131 ( 6.455 2.013 -0.693) 6.797 ======================= Grid point 562 (288/300) ======================= q-point: (-0.27 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -8.501 3.041 8.626) 12.486 2.018 ( -1.945 5.767 -5.457) 8.174 2.195 ( -6.437 8.943 4.970) 12.088 2.539 ( 0.162 -1.754 0.724) 1.905 3.283 ( -5.675 -5.008 -3.245) 8.235 3.827 ( 2.737 4.161 8.950) 10.242 3.969 ( 4.440 -1.699 4.465) 6.522 4.449 ( 9.298 1.628 -6.528) 11.477 5.089 ( -8.930 -6.509 5.646) 12.409 5.329 ( -1.860 1.194 -1.822) 2.864 5.972 ( -6.223 -0.906 -10.375) 12.132 6.028 ( 0.480 2.940 14.288) 14.595 6.404 ( -5.004 -1.855 5.257) 7.491 6.817 ( 7.360 1.106 -9.659) 12.194 7.113 ( -11.071 6.063 -8.874) 15.430 7.459 ( 9.410 4.374 10.846) 15.010 8.167 ( -5.993 4.637 2.969) 8.139 8.514 ( 5.896 5.854 -6.402) 10.488 9.039 ( -6.951 -16.342 4.786) 18.393 9.514 ( 9.244 -12.868 -0.309) 15.847 11.316 ( 0.047 2.993 -5.256) 6.049 11.463 ( 8.008 4.648 2.079) 9.490 12.007 ( -1.869 -9.646 -1.470) 9.934 12.264 ( 8.630 -8.851 -3.575) 12.868 12.924 ( -4.265 -2.785 5.380) 7.409 13.329 ( 9.234 -0.859 -2.104) 9.510 15.166 ( -3.359 12.496 1.790) 13.063 15.260 ( 0.354 11.530 -1.187) 11.597 17.217 ( 0.888 6.383 3.807) 7.485 17.618 ( 15.420 0.044 1.090) 15.459 18.618 ( -0.108 -10.902 13.564) 17.402 18.911 ( 5.199 -5.342 -10.887) 13.195 20.942 ( -21.936 10.685 1.638) 24.455 21.592 ( -1.605 -4.949 -8.682) 10.122 21.921 ( 0.957 0.611 1.068) 1.558 22.148 ( 5.978 0.286 3.263) 6.816 ======================= Grid point 563 (289/300) ======================= q-point: (-0.18 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -5.714 7.129 3.880) 9.926 1.889 ( 0.607 4.673 -7.553) 8.902 2.022 ( -8.444 5.550 7.138) 12.372 2.576 ( -3.675 -3.880 -0.074) 5.345 3.302 ( -2.879 -0.524 0.990) 3.089 3.724 ( -2.363 4.860 10.586) 11.886 4.112 ( 6.731 -3.133 -2.744) 7.915 4.424 ( 12.417 5.175 -8.907) 16.133 5.085 ( -10.045 -0.751 -7.025) 12.280 5.364 ( -2.482 -6.106 10.849) 12.694 5.933 ( -2.554 4.518 17.140) 17.908 6.009 ( -0.702 -1.853 -10.369) 10.557 6.408 ( -5.714 -1.721 -0.745) 6.014 6.773 ( 0.037 4.667 -5.281) 7.048 7.011 ( -4.168 -3.680 -3.957) 6.824 7.488 ( 8.966 2.582 8.939) 12.921 8.009 ( -5.002 8.322 0.132) 9.710 8.405 ( 4.594 8.410 -5.891) 11.249 9.304 ( -4.703 -15.569 1.109) 16.301 9.793 ( 5.077 -10.751 0.748) 11.913 11.299 ( 2.444 -0.895 -1.038) 2.802 11.428 ( 6.608 5.282 -0.253) 8.463 12.146 ( -2.725 -7.171 -1.065) 7.745 12.417 ( 3.678 -2.598 -3.293) 5.579 12.993 ( 0.290 -5.283 2.865) 6.017 13.416 ( 7.821 -1.906 -0.866) 8.096 14.891 ( -5.192 13.616 7.992) 16.620 15.057 ( 1.305 10.052 -5.299) 11.438 17.134 ( 2.138 4.620 3.286) 6.059 17.796 ( 18.020 -4.756 4.593) 19.195 18.832 ( 2.516 -8.346 6.101) 10.640 19.003 ( 3.050 -2.692 -4.741) 6.247 20.543 ( -25.474 11.741 1.543) 28.092 21.648 ( -6.764 -6.107 -8.072) 12.174 21.874 ( 6.374 6.618 -3.608) 9.871 22.241 ( 5.045 -3.831 6.496) 9.073 ======================= Grid point 564 (290/300) ======================= q-point: (-0.09 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -3.118 6.344 -4.733) 8.507 1.804 ( -0.528 4.388 -2.905) 5.289 1.900 ( -4.654 2.635 4.526) 7.007 2.625 ( -5.359 -4.972 0.116) 7.311 3.271 ( -0.038 2.317 3.580) 4.265 3.692 ( 0.831 0.358 4.567) 4.656 4.076 ( 2.718 7.109 -10.274) 12.786 4.509 ( 11.077 -3.619 0.133) 11.654 4.993 ( -8.878 0.972 -3.432) 9.568 5.504 ( -0.233 -7.209 8.446) 11.107 5.858 ( -1.867 4.186 12.316) 13.141 5.999 ( -0.410 1.711 -7.722) 7.920 6.344 ( -7.761 1.950 -6.009) 10.007 6.761 ( -1.995 -6.120 3.507) 7.330 7.085 ( 1.463 -4.485 -1.458) 4.938 7.525 ( 4.617 1.174 3.897) 6.155 7.792 ( -2.588 11.478 -0.788) 11.792 8.269 ( 2.597 7.528 -4.503) 9.148 9.515 ( -2.467 -9.820 -1.295) 10.208 9.977 ( 0.922 -6.404 2.234) 6.844 11.338 ( 3.744 3.127 4.455) 6.606 11.409 ( 4.397 -2.335 -3.302) 5.974 12.221 ( -2.124 -3.427 -1.998) 4.500 12.405 ( -2.188 2.910 -1.155) 3.820 13.115 ( 4.056 -4.974 -1.016) 6.498 13.503 ( 4.602 -2.043 0.403) 5.052 14.659 ( -5.618 8.818 11.405) 15.472 14.900 ( 2.703 6.932 -7.140) 10.312 17.092 ( 2.755 2.720 2.001) 4.358 18.064 ( 16.171 -7.973 6.660) 19.221 18.941 ( -0.410 1.149 4.233) 4.405 19.038 ( 1.466 -1.912 -5.869) 6.344 20.205 ( -18.679 5.340 3.830) 19.801 21.656 ( -15.439 -5.261 -8.849) 18.557 21.800 ( 13.718 8.142 -0.768) 15.970 22.358 ( 3.413 -3.678 3.772) 6.277 ======================= Grid point 572 (291/300) ======================= q-point: (-0.36 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -12.825 -0.000 4.514) 13.596 2.096 ( -6.799 -0.000 4.268) 8.028 2.452 ( -4.840 -0.000 11.459) 12.439 2.572 ( 2.765 0.000 -5.700) 6.335 3.114 ( -1.705 -0.000 -4.117) 4.456 3.785 ( 15.089 0.000 -4.623) 15.782 4.173 ( 0.131 0.000 12.960) 12.960 4.268 ( -0.229 -0.000 3.274) 3.282 4.998 ( -8.917 -0.000 20.822) 22.651 5.338 ( 2.109 0.000 -16.492) 16.627 5.948 ( -12.230 -0.000 -27.494) 30.091 6.062 ( -6.549 -0.000 20.461) 21.484 6.432 ( 4.171 0.000 15.543) 16.093 6.812 ( 5.944 0.000 -17.259) 18.254 7.374 ( -8.310 -0.000 -8.642) 11.990 7.534 ( 4.191 0.000 12.862) 13.527 8.226 ( -4.253 -0.000 8.226) 9.260 8.575 ( 5.153 0.000 -9.317) 10.647 8.703 ( -6.278 -0.000 9.140) 11.088 9.227 ( 11.400 0.000 -2.898) 11.763 11.500 ( -0.715 -0.000 -6.292) 6.332 11.505 ( 2.749 0.000 -2.349) 3.616 11.782 ( 5.370 0.000 -1.461) 5.565 12.008 ( 12.802 0.000 0.225) 12.804 12.878 ( -5.476 -0.000 6.073) 8.177 13.320 ( 10.280 0.000 -0.785) 10.310 15.391 ( -2.834 -0.000 -1.495) 3.204 15.553 ( 1.390 0.000 -2.358) 2.737 17.411 ( 3.170 0.000 1.815) 3.653 17.661 ( 11.719 0.000 0.040) 11.719 18.336 ( -1.154 -0.000 21.115) 21.147 18.766 ( 7.831 0.000 -15.116) 17.024 21.178 ( -12.584 -0.000 5.091) 13.575 21.459 ( -8.052 -0.000 -10.930) 13.576 21.889 ( -1.820 -0.000 5.102) 5.417 22.198 ( 6.052 0.000 -0.938) 6.124 ======================= Grid point 573 (292/300) ======================= q-point: (-0.27 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -12.964 0.054 5.349) 14.025 2.047 ( -4.103 1.664 1.241) 4.598 2.355 ( -8.072 7.281 8.062) 13.534 2.521 ( -2.099 3.157 -1.300) 4.008 3.180 ( 5.211 -4.746 -3.852) 8.033 3.913 ( 12.661 -2.660 -2.584) 13.193 4.048 ( -2.825 8.912 12.258) 15.416 4.433 ( 3.732 -8.136 4.442) 9.993 4.966 ( -9.772 -0.904 13.547) 16.728 5.329 ( 0.491 -0.208 -11.134) 11.146 5.811 ( -10.247 -2.180 -23.955) 26.146 6.058 ( -9.350 -2.714 14.420) 17.399 6.445 ( 3.252 5.961 12.739) 14.436 6.843 ( 6.528 -2.027 -11.919) 13.740 7.177 ( -9.395 9.884 -5.683) 14.774 7.606 ( 6.802 0.784 11.288) 13.203 8.191 ( -4.712 2.206 4.564) 6.921 8.594 ( 4.043 0.466 -9.584) 10.412 8.767 ( -4.210 -8.966 8.922) 13.331 9.379 ( 9.449 -8.142 -2.900) 12.806 11.375 ( -0.151 5.258 -7.147) 8.874 11.590 ( 5.757 -0.666 0.789) 5.849 11.853 ( 4.738 -4.015 -3.271) 7.019 12.186 ( 11.719 -7.054 -0.275) 13.681 12.874 ( -2.396 -1.446 6.914) 7.459 13.395 ( 9.746 0.158 0.643) 9.768 15.309 ( -2.649 6.045 -3.512) 7.476 15.460 ( -1.135 9.209 -0.860) 9.318 17.382 ( 5.777 6.553 3.995) 9.606 17.741 ( 12.866 0.795 2.606) 13.151 18.474 ( 3.779 -8.214 15.763) 18.172 18.841 ( 7.729 -4.391 -12.097) 15.012 20.981 ( -19.035 9.747 2.817) 21.570 21.409 ( -12.364 -5.746 -10.608) 17.275 21.931 ( 3.538 -2.301 6.094) 7.412 22.220 ( 5.360 1.780 -0.604) 5.680 ======================= Grid point 574 (293/300) ======================= q-point: (-0.18 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -11.225 0.326 7.227) 13.354 1.974 ( -1.222 3.972 -4.083) 5.826 2.144 ( -4.461 10.670 5.974) 13.017 2.452 ( -10.436 -1.697 -0.003) 10.573 3.299 ( 8.377 -2.382 -1.857) 8.904 3.868 ( -1.612 8.958 13.442) 16.234 4.081 ( 7.016 -4.785 -0.860) 8.535 4.539 ( 4.163 0.654 -1.557) 4.493 4.966 ( -7.451 -3.672 -1.703) 8.479 5.301 ( -1.966 -0.603 3.413) 3.985 5.809 ( -5.630 -7.981 -14.455) 17.446 6.063 ( -4.957 0.833 11.067) 12.155 6.354 ( -4.196 3.242 1.297) 5.458 6.902 ( -10.746 9.375 -4.083) 14.834 6.921 ( 7.877 -1.821 -2.600) 8.492 7.646 ( 9.337 3.716 8.770) 13.338 8.094 ( -5.000 4.868 1.820) 7.212 8.550 ( 3.035 5.144 -9.028) 10.825 8.987 ( -2.737 -15.098 5.758) 16.389 9.620 ( 5.045 -11.341 -2.259) 12.617 11.307 ( 1.959 1.198 -4.616) 5.156 11.602 ( 8.055 5.217 1.920) 9.787 11.980 ( 0.898 -7.537 -4.269) 8.708 12.375 ( 6.165 -4.898 -1.446) 8.006 12.933 ( 2.777 -3.598 5.539) 7.165 13.463 ( 8.217 0.046 1.364) 8.330 15.111 ( -4.101 12.146 -0.147) 12.821 15.244 ( -1.728 11.144 -1.889) 11.435 17.308 ( 8.312 7.948 5.775) 12.869 17.864 ( 13.503 -2.508 5.702) 14.871 18.711 ( 7.894 -9.155 3.928) 12.710 18.966 ( 6.494 -4.334 -3.279) 8.468 20.586 ( -25.369 13.548 1.224) 28.786 21.413 ( -14.071 -7.335 -9.911) 18.709 22.011 ( 7.546 0.748 2.260) 7.912 22.239 ( 4.139 -0.698 2.696) 4.989 ======================= Grid point 575 (294/300) ======================= q-point: (-0.09 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -7.906 4.368 3.925) 9.848 1.868 ( -0.469 4.854 -6.833) 8.395 1.964 ( -2.622 6.496 5.578) 8.955 2.440 ( -12.180 -6.146 0.155) 13.644 3.363 ( 7.795 2.471 2.741) 8.625 3.764 ( 2.039 4.414 9.609) 10.769 4.155 ( 1.500 1.299 -5.608) 5.949 4.537 ( 3.955 0.124 -1.555) 4.251 4.943 ( -3.349 -0.209 -6.042) 6.911 5.384 ( -0.934 -6.699 10.749) 12.700 5.908 ( -2.610 -6.840 -4.062) 8.373 5.970 ( -3.464 6.192 3.624) 7.967 6.288 ( -7.482 -0.278 -7.490) 10.590 6.697 ( -9.194 2.736 1.783) 9.757 7.023 ( 5.905 -3.718 1.659) 7.173 7.647 ( 7.817 5.082 3.645) 10.011 7.951 ( -2.900 7.540 1.906) 8.300 8.423 ( 1.719 8.130 -7.768) 11.374 9.265 ( -1.071 -14.897 1.720) 15.034 9.829 ( -0.370 -9.432 -1.265) 9.524 11.343 ( 4.130 -2.976 -1.001) 5.188 11.539 ( 6.964 7.765 1.308) 10.512 12.101 ( -1.332 -6.402 -3.789) 7.558 12.423 ( -1.912 1.081 -1.373) 2.590 13.069 ( 8.524 -5.099 1.220) 10.007 13.525 ( 5.669 -0.440 2.267) 6.121 14.837 ( -6.312 12.818 8.170) 16.459 15.044 ( 0.428 8.850 -7.162) 11.393 17.250 ( 10.331 7.449 5.764) 13.980 18.056 ( 11.075 -6.084 7.954) 14.931 18.912 ( 8.469 -5.853 -8.955) 13.645 19.050 ( 2.705 0.811 6.003) 6.634 20.186 ( -21.384 8.391 3.444) 23.228 21.405 ( -16.720 -6.501 -9.635) 20.363 22.015 ( 10.153 5.347 -1.155) 11.533 22.320 ( 2.177 -3.605 4.248) 5.982 ======================= Grid point 584 (295/300) ======================= q-point: (-0.27 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -13.854 -0.000 3.119) 14.200 2.043 ( -3.395 -0.000 5.461) 6.430 2.316 ( -15.739 -0.000 7.306) 17.352 2.587 ( 0.584 0.000 -1.867) 1.956 3.190 ( 11.801 0.000 -2.707) 12.107 3.964 ( 10.828 0.000 -3.465) 11.369 4.252 ( 2.127 0.000 14.799) 14.951 4.282 ( -1.089 -0.000 6.072) 6.168 4.928 ( -11.716 -0.000 19.985) 23.166 5.292 ( 2.025 0.000 -19.943) 20.046 5.659 ( -10.167 -0.000 -24.005) 26.070 5.946 ( -14.676 -0.000 10.920) 18.293 6.616 ( 7.116 0.000 17.188) 18.602 6.809 ( 3.525 0.000 -17.225) 17.582 7.215 ( -8.497 -0.000 -1.370) 8.607 7.657 ( 4.296 0.000 13.261) 13.939 8.206 ( -2.248 -0.000 4.059) 4.640 8.584 ( 2.277 0.000 -13.123) 13.319 8.691 ( -1.240 -0.000 12.060) 12.123 9.364 ( 8.379 0.000 -4.865) 9.689 11.442 ( -1.629 -0.000 -7.157) 7.340 11.541 ( 3.625 0.000 -3.540) 5.066 11.920 ( 11.443 0.000 1.045) 11.491 12.208 ( 12.627 0.000 -0.001) 12.627 12.868 ( 0.609 0.000 7.687) 7.711 13.473 ( 8.834 0.000 2.589) 9.205 15.337 ( -2.133 -0.000 -5.162) 5.586 15.532 ( -2.902 -0.000 -2.250) 3.672 17.512 ( 8.729 0.000 2.358) 9.042 17.835 ( 7.866 0.000 5.802) 9.775 18.492 ( 12.481 0.000 16.360) 20.577 18.835 ( 9.326 0.000 -12.705) 15.760 20.982 ( -16.298 -0.000 5.478) 17.194 21.174 ( -21.581 -0.000 -12.310) 24.845 21.948 ( 4.759 0.000 6.496) 8.053 22.273 ( 4.475 0.000 -1.558) 4.738 ======================= Grid point 585 (296/300) ======================= q-point: (-0.18 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -12.121 -1.910 4.984) 13.244 2.007 ( -4.221 2.144 4.442) 6.492 2.208 ( -11.940 0.990 4.277) 12.722 2.477 ( -2.793 9.245 -0.813) 9.691 3.325 ( 13.855 -3.347 -2.141) 14.413 4.055 ( 6.532 -1.324 -1.635) 6.863 4.078 ( -0.431 9.741 12.809) 16.098 4.493 ( 0.749 -8.080 7.922) 11.341 4.869 ( -9.397 -0.280 9.903) 13.655 5.273 ( -1.495 -1.033 -12.936) 13.063 5.598 ( -4.876 -5.688 -17.099) 18.668 5.924 ( -12.403 -6.808 6.206) 15.450 6.522 ( 0.560 12.426 3.956) 13.053 6.848 ( -3.615 -0.973 -9.327) 10.050 7.088 ( 1.715 6.712 7.006) 9.853 7.750 ( 5.873 -1.721 10.572) 12.215 8.144 ( -3.256 4.447 1.120) 5.624 8.580 ( 0.703 -0.556 -13.380) 13.410 8.785 ( 0.438 -7.322 12.150) 14.192 9.474 ( 5.152 -6.995 -5.509) 10.287 11.359 ( 1.649 3.818 -4.732) 6.299 11.639 ( 1.883 -5.074 -2.838) 6.111 11.976 ( 11.261 2.531 -0.302) 11.546 12.342 ( 8.095 -3.939 -0.338) 9.009 12.925 ( 5.610 -2.153 6.855) 9.116 13.534 ( 6.651 0.563 3.229) 7.414 15.252 ( -1.786 6.345 -6.119) 8.994 15.410 ( -5.033 8.727 -0.366) 10.080 17.532 ( 11.340 5.941 4.095) 13.441 17.913 ( 5.233 -1.978 8.600) 10.260 18.686 ( 18.286 -3.868 4.417) 19.205 18.935 ( 10.267 -4.724 -4.237) 12.069 20.657 ( -24.696 14.322 0.535) 28.553 21.120 ( -19.342 -9.187 -7.806) 22.792 22.035 ( 5.832 -3.038 5.889) 8.827 22.285 ( 3.751 1.388 -1.356) 4.224 ======================= Grid point 586 (297/300) ======================= q-point: (-0.09 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -9.198 -1.143 7.131) 11.695 1.917 ( -7.199 3.507 2.515) 8.393 2.113 ( 0.167 6.248 -1.177) 6.360 2.291 ( -9.575 2.723 0.927) 9.998 3.468 ( 12.902 -0.226 -0.205) 12.906 3.915 ( 0.474 8.044 12.397) 14.786 4.140 ( 0.811 -2.290 -0.706) 2.530 4.552 ( -2.437 0.840 2.461) 3.564 4.884 ( -1.347 -3.997 -2.196) 4.755 5.289 ( -2.155 -4.684 1.492) 5.367 5.704 ( -0.405 -10.068 -8.991) 13.504 5.998 ( -6.335 -5.691 1.555) 8.656 6.274 ( -5.598 10.604 -2.639) 12.278 6.681 ( -14.206 5.759 -3.482) 15.719 7.096 ( 11.068 2.510 8.100) 13.943 7.810 ( 8.151 3.858 3.893) 9.822 8.031 ( -4.333 4.142 2.195) 6.384 8.527 ( -0.114 3.907 -11.426) 12.076 9.007 ( 1.134 -13.068 8.613) 15.692 9.641 ( -0.126 -9.377 -5.160) 10.704 11.341 ( 4.262 -0.222 -1.739) 4.608 11.688 ( 2.160 1.483 -1.016) 2.810 12.023 ( 7.047 -0.659 -2.413) 7.478 12.417 ( -0.215 -0.356 -0.418) 0.590 13.063 ( 11.401 -4.285 3.466) 12.663 13.570 ( 3.867 0.446 3.361) 5.143 15.046 ( -4.796 12.521 2.054) 13.565 15.195 ( -2.475 9.496 -4.754) 10.904 17.510 ( 14.447 8.003 6.092) 17.604 18.031 ( 3.382 -4.948 10.053) 11.704 18.875 ( 14.619 -3.771 -13.244) 20.083 19.109 ( 11.365 -2.043 9.341) 14.853 20.205 ( -24.215 11.801 1.923) 27.006 21.119 ( -18.997 -7.999 -8.394) 22.256 22.132 ( 6.630 -0.174 2.070) 6.948 22.295 ( 2.120 -0.771 1.096) 2.508 ======================= Grid point 596 (298/300) ======================= q-point: (-0.18 -0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -11.091 -0.000 4.631) 12.019 1.982 ( -11.736 -0.000 6.308) 13.324 2.154 ( -4.036 -0.000 3.768) 5.522 2.561 ( -3.541 -0.000 -0.097) 3.542 3.396 ( 15.818 0.000 -1.978) 15.941 4.070 ( 3.505 0.000 -2.089) 4.081 4.291 ( -0.628 -0.000 8.023) 8.048 4.355 ( 2.558 0.000 15.275) 15.487 4.827 ( -11.852 -0.000 17.636) 21.248 5.193 ( -3.019 -0.000 -25.909) 26.084 5.485 ( -0.041 -0.000 -14.483) 14.483 5.761 ( -14.180 -0.000 8.029) 16.295 6.695 ( -4.543 -0.000 3.333) 5.634 6.773 ( 1.573 0.000 -16.998) 17.071 7.184 ( 1.890 0.000 17.893) 17.993 7.774 ( 3.735 0.000 12.011) 12.578 8.184 ( -1.737 -0.000 -0.614) 1.842 8.527 ( -1.037 -0.000 -17.822) 17.852 8.764 ( 2.480 0.000 15.547) 15.744 9.430 ( 3.880 0.000 -7.652) 8.580 11.411 ( 0.931 0.000 -3.950) 4.059 11.576 ( 2.495 0.000 -3.406) 4.222 12.109 ( 12.195 0.000 1.139) 12.248 12.365 ( 7.445 0.000 -0.080) 7.445 12.975 ( 9.496 0.000 6.576) 11.550 13.587 ( 3.536 0.000 3.748) 5.153 15.289 ( -0.092 -0.000 -7.888) 7.889 15.447 ( -7.461 -0.000 -0.218) 7.464 17.687 ( 12.890 0.000 1.012) 12.930 17.921 ( -1.216 -0.000 11.564) 11.627 18.869 ( 29.207 0.000 7.647) 30.192 18.945 ( 11.307 0.000 -7.793) 13.733 20.728 ( -29.771 -0.000 -10.482) 31.562 20.730 ( -19.676 -0.000 4.338) 20.149 22.060 ( 5.817 0.000 6.153) 8.467 22.320 ( 2.807 0.000 -2.082) 3.495 ======================= Grid point 597 (299/300) ======================= q-point: (-0.09 -0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -7.976 -3.190 6.622) 10.847 1.885 ( -13.325 0.639 4.525) 14.087 2.144 ( 1.057 1.182 2.861) 3.271 2.421 ( -4.606 10.294 0.418) 11.285 3.546 ( 15.676 -2.457 -1.827) 15.972 4.066 ( -4.080 2.302 0.493) 4.711 4.150 ( 1.577 7.177 12.774) 14.737 4.537 ( 0.716 -3.895 7.100) 8.130 4.781 ( -6.427 -3.117 7.712) 10.512 5.160 ( -4.788 -4.873 -15.107) 16.580 5.540 ( 4.069 -6.404 -9.014) 11.782 5.762 ( -11.214 -8.983 3.418) 14.769 6.498 ( -3.215 13.486 -3.410) 14.277 6.692 ( -8.757 5.915 -7.664) 13.054 7.253 ( 9.805 1.755 17.127) 19.813 7.873 ( 4.532 -3.632 9.523) 11.154 8.095 ( -2.873 6.338 -3.078) 7.609 8.502 ( -2.229 -1.864 -16.818) 17.067 8.873 ( 2.939 -5.850 15.279) 16.623 9.485 ( 0.410 -5.477 -8.466) 10.092 11.387 ( 3.693 1.904 -1.380) 4.378 11.634 ( -0.700 -4.178 -3.520) 5.508 12.156 ( 11.533 4.223 0.538) 12.294 12.415 ( 1.595 -0.268 0.356) 1.656 13.101 ( 13.756 -2.706 4.377) 14.687 13.603 ( -0.002 0.429 3.191) 3.220 15.209 ( -0.925 7.435 -4.577) 8.779 15.313 ( -6.639 6.879 -0.829) 9.597 17.747 ( 14.469 4.198 2.340) 15.247 17.971 ( -2.724 -4.042 11.610) 12.592 18.966 ( 16.820 2.853 -9.503) 19.528 19.196 ( 24.351 -4.419 6.751) 25.653 20.252 ( -27.276 13.826 -0.720) 30.588 20.773 ( -22.380 -11.067 -4.883) 25.440 22.143 ( 4.789 -2.588 5.247) 7.561 22.322 ( 2.066 1.083 -2.002) 3.074 ======================= Grid point 608 (300/300) ======================= q-point: (-0.09 -0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -4.184 -0.000 7.187) 8.316 1.789 ( -13.221 -0.000 2.332) 13.426 2.195 ( 3.913 0.000 6.402) 7.503 2.480 ( -7.274 -0.000 1.337) 7.396 3.635 ( 16.401 0.000 -2.335) 16.566 4.025 ( -7.453 -0.000 -1.611) 7.625 4.353 ( 2.102 0.000 11.785) 11.971 4.450 ( 0.772 0.000 14.462) 14.482 4.734 ( -7.983 -0.000 10.866) 13.484 5.016 ( -3.858 -0.000 -24.715) 25.015 5.507 ( 8.199 0.000 -9.799) 12.777 5.595 ( -12.279 -0.000 7.818) 14.556 6.571 ( -9.666 -0.000 0.023) 9.666 6.719 ( 1.316 0.000 -16.554) 16.606 7.379 ( 8.415 0.000 27.228) 28.498 7.872 ( 2.842 0.000 10.169) 10.558 8.150 ( -1.297 -0.000 -4.174) 4.371 8.400 ( -4.012 -0.000 -22.556) 22.910 8.884 ( 3.357 0.000 17.677) 17.993 9.416 ( -0.636 -0.000 -10.115) 10.135 11.433 ( 3.027 0.000 -0.617) 3.089 11.578 ( -0.582 -0.000 -3.076) 3.130 12.283 ( 9.621 0.000 1.151) 9.689 12.428 ( 0.776 0.000 0.560) 0.957 13.197 ( 15.894 0.000 3.744) 16.329 13.596 ( -4.186 -0.000 1.820) 4.565 15.277 ( 3.324 0.000 -8.233) 8.879 15.314 ( -10.392 -0.000 3.139) 10.856 17.894 ( 14.142 0.000 -2.741) 14.405 17.917 ( -5.834 -0.000 13.111) 14.350 19.113 ( 12.517 0.000 0.977) 12.555 19.390 ( 35.677 0.000 -2.692) 35.778 20.211 ( -32.373 -0.000 -4.622) 32.702 20.432 ( -20.288 -0.000 0.238) 20.289 22.164 ( 4.309 0.000 5.619) 7.081 22.338 ( 0.775 0.000 -2.499) 2.616 =================== 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 3/39204 10.0 961.997 966.380 890.721 -0.000 -454.477 0.000 3/39204 20.0 308.401 339.835 324.948 -0.000 -144.777 0.000 3/39204 30.0 156.594 154.312 147.583 -0.000 -62.811 0.000 3/39204 40.0 98.142 88.935 86.030 -0.000 -35.379 0.000 3/39204 50.0 69.398 59.494 58.608 -0.000 -23.312 0.000 3/39204 60.0 52.935 43.752 43.991 -0.000 -16.906 0.000 3/39204 70.0 42.486 34.271 35.127 -0.000 -13.050 0.000 3/39204 80.0 35.343 28.044 29.220 -0.000 -10.519 0.000 3/39204 90.0 30.182 23.680 25.004 -0.000 -8.751 0.000 3/39204 100.0 26.292 20.466 21.840 -0.000 -7.456 0.000 3/39204 110.0 23.262 18.005 19.375 -0.000 -6.474 0.000 3/39204 120.0 20.837 16.063 17.401 -0.000 -5.706 0.000 3/39204 130.0 18.857 14.493 15.783 -0.000 -5.091 0.000 3/39204 140.0 17.211 13.198 14.434 -0.000 -4.590 0.000 3/39204 150.0 15.822 12.113 13.293 -0.000 -4.173 0.000 3/39204 160.0 14.636 11.191 12.316 -0.000 -3.823 0.000 3/39204 170.0 13.613 10.398 11.470 -0.000 -3.524 0.000 3/39204 180.0 12.722 9.710 10.732 -0.000 -3.267 0.000 3/39204 190.0 11.940 9.107 10.082 -0.000 -3.044 0.000 3/39204 200.0 11.248 8.574 9.506 -0.000 -2.848 0.000 3/39204 210.0 10.631 8.101 8.992 -0.000 -2.675 0.000 3/39204 220.0 10.079 7.677 8.530 -0.000 -2.522 0.000 3/39204 230.0 9.582 7.296 8.114 -0.000 -2.385 0.000 3/39204 240.0 9.132 6.951 7.737 -0.000 -2.261 0.000 3/39204 250.0 8.723 6.638 7.393 -0.000 -2.150 0.000 3/39204 260.0 8.350 6.352 7.079 -0.000 -2.049 0.000 3/39204 270.0 8.008 6.090 6.791 -0.000 -1.957 0.000 3/39204 280.0 7.693 5.849 6.526 -0.000 -1.873 0.000 3/39204 290.0 7.402 5.627 6.281 -0.000 -1.796 0.000 3/39204 300.0 7.133 5.421 6.053 -0.000 -1.725 0.000 3/39204 310.0 6.884 5.230 5.842 -0.000 -1.659 0.000 3/39204 320.0 6.651 5.053 5.646 -0.000 -1.598 0.000 3/39204 330.0 6.434 4.887 5.462 -0.000 -1.542 0.000 3/39204 340.0 6.231 4.732 5.290 -0.000 -1.489 0.000 3/39204 350.0 6.041 4.587 5.129 -0.000 -1.440 0.000 3/39204 360.0 5.862 4.450 4.978 -0.000 -1.394 0.000 3/39204 370.0 5.694 4.322 4.835 -0.000 -1.351 0.000 3/39204 380.0 5.535 4.201 4.701 -0.000 -1.311 0.000 3/39204 390.0 5.385 4.086 4.573 -0.000 -1.273 0.000 3/39204 400.0 5.243 3.978 4.453 -0.000 -1.237 0.000 3/39204 410.0 5.109 3.876 4.339 -0.000 -1.203 0.000 3/39204 420.0 4.981 3.778 4.231 -0.000 -1.171 0.000 3/39204 430.0 4.860 3.686 4.128 -0.000 -1.141 0.000 3/39204 440.0 4.745 3.598 4.030 -0.000 -1.112 0.000 3/39204 450.0 4.635 3.514 3.936 -0.000 -1.085 0.000 3/39204 460.0 4.530 3.434 3.847 -0.000 -1.059 0.000 3/39204 470.0 4.430 3.358 3.762 -0.000 -1.034 0.000 3/39204 480.0 4.334 3.285 3.681 -0.000 -1.010 0.000 3/39204 490.0 4.242 3.215 3.603 -0.000 -0.988 0.000 3/39204 500.0 4.155 3.149 3.528 -0.000 -0.966 0.000 3/39204 510.0 4.070 3.084 3.457 -0.000 -0.946 0.000 3/39204 520.0 3.990 3.023 3.388 -0.000 -0.926 0.000 3/39204 530.0 3.912 2.964 3.322 -0.000 -0.907 0.000 3/39204 540.0 3.838 2.907 3.259 -0.000 -0.889 0.000 3/39204 550.0 3.766 2.853 3.198 -0.000 -0.872 0.000 3/39204 560.0 3.697 2.800 3.139 -0.000 -0.855 0.000 3/39204 570.0 3.630 2.749 3.083 -0.000 -0.839 0.000 3/39204 580.0 3.566 2.701 3.028 -0.000 -0.823 0.000 3/39204 590.0 3.504 2.654 2.975 -0.000 -0.808 0.000 3/39204 600.0 3.444 2.608 2.925 -0.000 -0.794 0.000 3/39204 610.0 3.386 2.564 2.875 -0.000 -0.780 0.000 3/39204 620.0 3.331 2.522 2.828 -0.000 -0.767 0.000 3/39204 630.0 3.277 2.481 2.782 -0.000 -0.754 0.000 3/39204 640.0 3.224 2.441 2.738 -0.000 -0.741 0.000 3/39204 650.0 3.174 2.403 2.695 -0.000 -0.729 0.000 3/39204 660.0 3.125 2.365 2.653 -0.000 -0.718 0.000 3/39204 670.0 3.077 2.329 2.613 -0.000 -0.706 0.000 3/39204 680.0 3.031 2.294 2.573 -0.000 -0.695 0.000 3/39204 690.0 2.986 2.260 2.535 -0.000 -0.685 0.000 3/39204 700.0 2.943 2.227 2.499 -0.000 -0.675 0.000 3/39204 710.0 2.901 2.195 2.463 -0.000 -0.665 0.000 3/39204 720.0 2.860 2.164 2.428 -0.000 -0.655 0.000 3/39204 730.0 2.820 2.134 2.394 -0.000 -0.646 0.000 3/39204 740.0 2.781 2.105 2.361 -0.000 -0.636 0.000 3/39204 750.0 2.744 2.076 2.329 -0.000 -0.628 0.000 3/39204 760.0 2.707 2.048 2.298 -0.000 -0.619 0.000 3/39204 770.0 2.671 2.021 2.268 -0.000 -0.611 0.000 3/39204 780.0 2.637 1.995 2.238 -0.000 -0.602 0.000 3/39204 790.0 2.603 1.969 2.210 -0.000 -0.595 0.000 3/39204 800.0 2.570 1.944 2.182 -0.000 -0.587 0.000 3/39204 810.0 2.538 1.920 2.154 -0.000 -0.579 0.000 3/39204 820.0 2.506 1.896 2.128 -0.000 -0.572 0.000 3/39204 830.0 2.476 1.873 2.102 -0.000 -0.565 0.000 3/39204 840.0 2.446 1.850 2.076 -0.000 -0.558 0.000 3/39204 850.0 2.417 1.828 2.052 -0.000 -0.551 0.000 3/39204 860.0 2.389 1.807 2.027 -0.000 -0.544 0.000 3/39204 870.0 2.361 1.786 2.004 -0.000 -0.538 0.000 3/39204 880.0 2.334 1.765 1.981 -0.000 -0.532 0.000 3/39204 890.0 2.307 1.745 1.958 -0.000 -0.525 0.000 3/39204 900.0 2.281 1.726 1.936 -0.000 -0.519 0.000 3/39204 910.0 2.256 1.706 1.915 -0.000 -0.514 0.000 3/39204 920.0 2.231 1.688 1.894 -0.000 -0.508 0.000 3/39204 930.0 2.207 1.669 1.873 -0.000 -0.502 0.000 3/39204 940.0 2.183 1.651 1.853 -0.000 -0.497 0.000 3/39204 950.0 2.160 1.634 1.833 -0.000 -0.491 0.000 3/39204 960.0 2.137 1.616 1.814 -0.000 -0.486 0.000 3/39204 970.0 2.115 1.600 1.795 -0.000 -0.481 0.000 3/39204 980.0 2.093 1.583 1.777 -0.000 -0.476 0.000 3/39204 990.0 2.072 1.567 1.759 -0.000 -0.471 0.000 3/39204 1000.0 2.051 1.551 1.741 -0.000 -0.466 0.000 3/39204 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:23:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|