----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:46:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.219543069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.491028479999998 Atomic positions (fractional): *1 Na 0.00000000000000 0.31835862714304 0.25000000000000 22.990 2 Na 0.50000000000000 0.18164137285696 0.75000000000000 22.990 3 Na 0.00000000000000 0.68164137285696 0.75000000000000 22.990 4 Na 0.50000000000000 0.81835862714304 0.25000000000000 22.990 *5 Cl 0.26131645161953 0.31876356442214 0.60006918756274 35.453 *6 Cl 0.76930324989440 0.95071164419792 0.42472493720320 35.453 7 Cl 0.26930324989440 0.54928835580208 0.57527506279680 35.453 8 Cl 0.73069675010560 0.54928835580208 0.92472493720320 35.453 9 Cl 0.76131645161953 0.18123643557786 0.39993081243726 35.453 10 Cl 0.23868354838047 0.81876356442214 0.60006918756274 35.453 11 Cl 0.73868354838047 0.31876356442214 0.89993081243726 35.453 12 Cl 0.23868354838047 0.18123643557786 0.10006918756274 35.453 13 Cl 0.26131645161953 0.68123643557786 0.10006918756274 35.453 14 Cl 0.73868354838047 0.68123643557786 0.39993081243726 35.453 15 Cl 0.23069675010560 0.04928835580208 0.57527506279680 35.453 16 Cl 0.76131645161953 0.81876356442214 0.89993081243726 35.453 17 Cl 0.76930324989440 0.04928835580208 0.92472493720320 35.453 18 Cl 0.26930324989440 0.45071164419792 0.07527506279680 35.453 19 Cl 0.73069675010560 0.45071164419792 0.42472493720320 35.453 20 Cl 0.23069675010560 0.95071164419792 0.07527506279680 35.453 *21 Lu 0.00000000000000 0.07165353347813 0.25000000000000 174.967 22 Lu 0.50000000000000 0.57165353347813 0.25000000000000 174.967 23 Lu 0.00000000000000 0.92834646652187 0.75000000000000 174.967 24 Lu 0.50000000000000 0.42834646652187 0.75000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.219543069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.491028479999998 Atomic positions (fractional): *1 Na 0.00000000000000 0.31835862714304 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.18164137285696 0.75000000000000 22.990 > 2 3 Na 0.00000000000000 0.68164137285696 0.75000000000000 22.990 > 3 4 Na 0.50000000000000 0.81835862714304 0.25000000000000 22.990 > 4 *5 Cl 0.26131645161953 0.31876356442214 0.60006918756274 35.453 > 5 *6 Cl 0.76930324989440 0.95071164419792 0.42472493720320 35.453 > 6 7 Cl 0.26930324989440 0.54928835580208 0.57527506279680 35.453 > 7 8 Cl 0.73069675010560 0.54928835580208 0.92472493720320 35.453 > 8 9 Cl 0.76131645161953 0.18123643557786 0.39993081243726 35.453 > 9 10 Cl 0.23868354838047 0.81876356442214 0.60006918756274 35.453 > 10 11 Cl 0.73868354838047 0.31876356442214 0.89993081243726 35.453 > 11 12 Cl 0.23868354838047 0.18123643557786 0.10006918756274 35.453 > 12 13 Cl 0.26131645161953 0.68123643557786 0.10006918756274 35.453 > 13 14 Cl 0.73868354838047 0.68123643557786 0.39993081243726 35.453 > 14 15 Cl 0.23069675010560 0.04928835580208 0.57527506279680 35.453 > 15 16 Cl 0.76131645161953 0.81876356442214 0.89993081243726 35.453 > 16 17 Cl 0.76930324989440 0.04928835580208 0.92472493720320 35.453 > 17 18 Cl 0.26930324989440 0.45071164419792 0.07527506279680 35.453 > 18 19 Cl 0.73069675010560 0.45071164419792 0.42472493720320 35.453 > 19 20 Cl 0.23069675010560 0.95071164419792 0.07527506279680 35.453 > 20 *21 Lu 0.00000000000000 0.07165353347813 0.25000000000000 174.967 > 21 22 Lu 0.50000000000000 0.57165353347813 0.25000000000000 174.967 > 22 23 Lu 0.00000000000000 0.92834646652187 0.75000000000000 174.967 > 23 24 Lu 0.50000000000000 0.42834646652187 0.75000000000000 174.967 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.658629209999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.982056959999996 Atomic positions (fractional): *1 Na 0.00000000000000 0.31835862714304 0.12500000000000 22.990 > 1 2 Na 0.33333333333333 0.31835862714304 0.12500000000000 22.990 > 1 3 Na 0.66666666666667 0.31835862714304 0.12500000000000 22.990 > 1 4 Na 0.00000000000000 0.31835862714304 0.62500000000000 22.990 > 1 5 Na 0.33333333333333 0.31835862714304 0.62500000000000 22.990 > 1 6 Na 0.66666666666667 0.31835862714304 0.62500000000000 22.990 > 1 7 Na 0.16666666666667 0.18164137285696 0.37500000000000 22.990 > 2 8 Na 0.50000000000000 0.18164137285696 0.37500000000000 22.990 > 2 9 Na 0.83333333333333 0.18164137285696 0.37500000000000 22.990 > 2 10 Na 0.16666666666667 0.18164137285696 0.87500000000000 22.990 > 2 11 Na 0.50000000000000 0.18164137285696 0.87500000000000 22.990 > 2 12 Na 0.83333333333333 0.18164137285696 0.87500000000000 22.990 > 2 13 Na 0.00000000000000 0.68164137285696 0.37500000000000 22.990 > 3 14 Na 0.33333333333333 0.68164137285696 0.37500000000000 22.990 > 3 15 Na 0.66666666666667 0.68164137285696 0.37500000000000 22.990 > 3 16 Na 0.00000000000000 0.68164137285696 0.87500000000000 22.990 > 3 17 Na 0.33333333333333 0.68164137285696 0.87500000000000 22.990 > 3 18 Na 0.66666666666667 0.68164137285696 0.87500000000000 22.990 > 3 19 Na 0.16666666666667 0.81835862714304 0.12500000000000 22.990 > 4 20 Na 0.50000000000000 0.81835862714304 0.12500000000000 22.990 > 4 21 Na 0.83333333333333 0.81835862714304 0.12500000000000 22.990 > 4 22 Na 0.16666666666667 0.81835862714304 0.62500000000000 22.990 > 4 23 Na 0.50000000000000 0.81835862714304 0.62500000000000 22.990 > 4 24 Na 0.83333333333333 0.81835862714304 0.62500000000000 22.990 > 4 *25 Cl 0.08710548387318 0.31876356442214 0.30003459378137 35.453 > 5 26 Cl 0.42043881720651 0.31876356442214 0.30003459378137 35.453 > 5 27 Cl 0.75377215053984 0.31876356442214 0.30003459378137 35.453 > 5 28 Cl 0.08710548387318 0.31876356442214 0.80003459378137 35.453 > 5 29 Cl 0.42043881720651 0.31876356442214 0.80003459378137 35.453 > 5 30 Cl 0.75377215053984 0.31876356442214 0.80003459378137 35.453 > 5 *31 Cl 0.25643441663147 0.95071164419792 0.21236246860160 35.453 > 6 32 Cl 0.58976774996480 0.95071164419792 0.21236246860160 35.453 > 6 33 Cl 0.92310108329813 0.95071164419792 0.21236246860160 35.453 > 6 34 Cl 0.25643441663147 0.95071164419792 0.71236246860160 35.453 > 6 35 Cl 0.58976774996480 0.95071164419792 0.71236246860160 35.453 > 6 36 Cl 0.92310108329813 0.95071164419792 0.71236246860160 35.453 > 6 37 Cl 0.08976774996480 0.54928835580208 0.28763753139840 35.453 > 7 38 Cl 0.42310108329813 0.54928835580208 0.28763753139840 35.453 > 7 39 Cl 0.75643441663147 0.54928835580208 0.28763753139840 35.453 > 7 40 Cl 0.08976774996480 0.54928835580208 0.78763753139840 35.453 > 7 41 Cl 0.42310108329813 0.54928835580208 0.78763753139840 35.453 > 7 42 Cl 0.75643441663147 0.54928835580208 0.78763753139840 35.453 > 7 43 Cl 0.24356558336853 0.54928835580208 0.46236246860160 35.453 > 8 44 Cl 0.57689891670187 0.54928835580208 0.46236246860160 35.453 > 8 45 Cl 0.91023225003520 0.54928835580208 0.46236246860160 35.453 > 8 46 Cl 0.24356558336853 0.54928835580208 0.96236246860160 35.453 > 8 47 Cl 0.57689891670187 0.54928835580208 0.96236246860160 35.453 > 8 48 Cl 0.91023225003520 0.54928835580208 0.96236246860160 35.453 > 8 49 Cl 0.25377215053984 0.18123643557786 0.19996540621863 35.453 > 9 50 Cl 0.58710548387318 0.18123643557786 0.19996540621863 35.453 > 9 51 Cl 0.92043881720651 0.18123643557786 0.19996540621863 35.453 > 9 52 Cl 0.25377215053984 0.18123643557786 0.69996540621863 35.453 > 9 53 Cl 0.58710548387318 0.18123643557786 0.69996540621863 35.453 > 9 54 Cl 0.92043881720651 0.18123643557786 0.69996540621863 35.453 > 9 55 Cl 0.07956118279349 0.81876356442214 0.30003459378137 35.453 > 10 56 Cl 0.41289451612682 0.81876356442214 0.30003459378137 35.453 > 10 57 Cl 0.74622784946016 0.81876356442214 0.30003459378137 35.453 > 10 58 Cl 0.07956118279349 0.81876356442214 0.80003459378137 35.453 > 10 59 Cl 0.41289451612682 0.81876356442214 0.80003459378137 35.453 > 10 60 Cl 0.74622784946016 0.81876356442214 0.80003459378137 35.453 > 10 61 Cl 0.24622784946016 0.31876356442214 0.44996540621863 35.453 > 11 62 Cl 0.57956118279349 0.31876356442214 0.44996540621863 35.453 > 11 63 Cl 0.91289451612682 0.31876356442214 0.44996540621863 35.453 > 11 64 Cl 0.24622784946016 0.31876356442214 0.94996540621863 35.453 > 11 65 Cl 0.57956118279349 0.31876356442214 0.94996540621863 35.453 > 11 66 Cl 0.91289451612682 0.31876356442214 0.94996540621863 35.453 > 11 67 Cl 0.07956118279349 0.18123643557786 0.05003459378137 35.453 > 12 68 Cl 0.41289451612682 0.18123643557786 0.05003459378137 35.453 > 12 69 Cl 0.74622784946016 0.18123643557786 0.05003459378137 35.453 > 12 70 Cl 0.07956118279349 0.18123643557786 0.55003459378137 35.453 > 12 71 Cl 0.41289451612682 0.18123643557786 0.55003459378137 35.453 > 12 72 Cl 0.74622784946016 0.18123643557786 0.55003459378137 35.453 > 12 73 Cl 0.08710548387318 0.68123643557786 0.05003459378137 35.453 > 13 74 Cl 0.42043881720651 0.68123643557786 0.05003459378137 35.453 > 13 75 Cl 0.75377215053984 0.68123643557786 0.05003459378137 35.453 > 13 76 Cl 0.08710548387318 0.68123643557786 0.55003459378137 35.453 > 13 77 Cl 0.42043881720651 0.68123643557786 0.55003459378137 35.453 > 13 78 Cl 0.75377215053984 0.68123643557786 0.55003459378137 35.453 > 13 79 Cl 0.24622784946016 0.68123643557786 0.19996540621863 35.453 > 14 80 Cl 0.57956118279349 0.68123643557786 0.19996540621863 35.453 > 14 81 Cl 0.91289451612682 0.68123643557786 0.19996540621863 35.453 > 14 82 Cl 0.24622784946016 0.68123643557786 0.69996540621863 35.453 > 14 83 Cl 0.57956118279349 0.68123643557786 0.69996540621863 35.453 > 14 84 Cl 0.91289451612682 0.68123643557786 0.69996540621863 35.453 > 14 85 Cl 0.07689891670187 0.04928835580208 0.28763753139840 35.453 > 15 86 Cl 0.41023225003520 0.04928835580208 0.28763753139840 35.453 > 15 87 Cl 0.74356558336853 0.04928835580208 0.28763753139840 35.453 > 15 88 Cl 0.07689891670187 0.04928835580208 0.78763753139840 35.453 > 15 89 Cl 0.41023225003520 0.04928835580208 0.78763753139840 35.453 > 15 90 Cl 0.74356558336853 0.04928835580208 0.78763753139840 35.453 > 15 91 Cl 0.25377215053984 0.81876356442214 0.44996540621863 35.453 > 16 92 Cl 0.58710548387318 0.81876356442214 0.44996540621863 35.453 > 16 93 Cl 0.92043881720651 0.81876356442214 0.44996540621863 35.453 > 16 94 Cl 0.25377215053984 0.81876356442214 0.94996540621863 35.453 > 16 95 Cl 0.58710548387318 0.81876356442214 0.94996540621863 35.453 > 16 96 Cl 0.92043881720651 0.81876356442214 0.94996540621863 35.453 > 16 97 Cl 0.25643441663147 0.04928835580208 0.46236246860160 35.453 > 17 98 Cl 0.58976774996480 0.04928835580208 0.46236246860160 35.453 > 17 99 Cl 0.92310108329813 0.04928835580208 0.46236246860160 35.453 > 17 100 Cl 0.25643441663147 0.04928835580208 0.96236246860160 35.453 > 17 101 Cl 0.58976774996480 0.04928835580208 0.96236246860160 35.453 > 17 102 Cl 0.92310108329813 0.04928835580208 0.96236246860160 35.453 > 17 103 Cl 0.08976774996480 0.45071164419792 0.03763753139840 35.453 > 18 104 Cl 0.42310108329813 0.45071164419792 0.03763753139840 35.453 > 18 105 Cl 0.75643441663147 0.45071164419792 0.03763753139840 35.453 > 18 106 Cl 0.08976774996480 0.45071164419792 0.53763753139840 35.453 > 18 107 Cl 0.42310108329813 0.45071164419792 0.53763753139840 35.453 > 18 108 Cl 0.75643441663147 0.45071164419792 0.53763753139840 35.453 > 18 109 Cl 0.24356558336853 0.45071164419792 0.21236246860160 35.453 > 19 110 Cl 0.57689891670187 0.45071164419792 0.21236246860160 35.453 > 19 111 Cl 0.91023225003520 0.45071164419792 0.21236246860160 35.453 > 19 112 Cl 0.24356558336853 0.45071164419792 0.71236246860160 35.453 > 19 113 Cl 0.57689891670187 0.45071164419792 0.71236246860160 35.453 > 19 114 Cl 0.91023225003520 0.45071164419792 0.71236246860160 35.453 > 19 115 Cl 0.07689891670187 0.95071164419792 0.03763753139840 35.453 > 20 116 Cl 0.41023225003520 0.95071164419792 0.03763753139840 35.453 > 20 117 Cl 0.74356558336853 0.95071164419792 0.03763753139840 35.453 > 20 118 Cl 0.07689891670187 0.95071164419792 0.53763753139840 35.453 > 20 119 Cl 0.41023225003520 0.95071164419792 0.53763753139840 35.453 > 20 120 Cl 0.74356558336853 0.95071164419792 0.53763753139840 35.453 > 20 *121 Lu 0.00000000000000 0.07165353347813 0.12500000000000 174.967 > 21 122 Lu 0.33333333333333 0.07165353347813 0.12500000000000 174.967 > 21 123 Lu 0.66666666666667 0.07165353347813 0.12500000000000 174.967 > 21 124 Lu 0.00000000000000 0.07165353347813 0.62500000000000 174.967 > 21 125 Lu 0.33333333333333 0.07165353347813 0.62500000000000 174.967 > 21 126 Lu 0.66666666666667 0.07165353347813 0.62500000000000 174.967 > 21 127 Lu 0.16666666666667 0.57165353347813 0.12500000000000 174.967 > 22 128 Lu 0.50000000000000 0.57165353347813 0.12500000000000 174.967 > 22 129 Lu 0.83333333333333 0.57165353347813 0.12500000000000 174.967 > 22 130 Lu 0.16666666666667 0.57165353347813 0.62500000000000 174.967 > 22 131 Lu 0.50000000000000 0.57165353347813 0.62500000000000 174.967 > 22 132 Lu 0.83333333333333 0.57165353347813 0.62500000000000 174.967 > 22 133 Lu 0.00000000000000 0.92834646652187 0.37500000000000 174.967 > 23 134 Lu 0.33333333333333 0.92834646652187 0.37500000000000 174.967 > 23 135 Lu 0.66666666666667 0.92834646652187 0.37500000000000 174.967 > 23 136 Lu 0.00000000000000 0.92834646652187 0.87500000000000 174.967 > 23 137 Lu 0.33333333333333 0.92834646652187 0.87500000000000 174.967 > 23 138 Lu 0.66666666666667 0.92834646652187 0.87500000000000 174.967 > 23 139 Lu 0.16666666666667 0.42834646652187 0.37500000000000 174.967 > 24 140 Lu 0.50000000000000 0.42834646652187 0.37500000000000 174.967 > 24 141 Lu 0.83333333333333 0.42834646652187 0.37500000000000 174.967 > 24 142 Lu 0.16666666666667 0.42834646652187 0.87500000000000 174.967 > 24 143 Lu 0.50000000000000 0.42834646652187 0.87500000000000 174.967 > 24 144 Lu 0.83333333333333 0.42834646652187 0.87500000000000 174.967 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7465193 0.0000000 0.0000000 0.0000000 2.8641243 0.0000000 0.0000000 0.0000000 2.9187773 -------------------------- Born effective charges -------------------------- 1 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 2 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 3 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 4 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 5 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 6 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 7 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 8 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 9 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 10 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 11 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 12 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 13 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 14 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 15 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 16 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 17 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 18 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 19 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 20 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 21 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 22 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 23 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 24 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2056 Number of blocks in projector: 2056 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: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2056, 2028), data: False |-- (256, 252), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.959 Solver_block: 200 / 400 - Time: 0.807 Solver_block: 300 / 400 - Time: 0.817 Solver_block: 400 / 400 - Time: 0.869 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.807 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2056 Number of blocks in projector: 2056 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: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2056, 2028), data: False |-- (256, 252), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:46:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:46:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.219543069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.491028479999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.31835862714304 0.25000000000000 22.990 2 Na 0.50000000000000 0.18164137285696 0.75000000000000 22.990 3 Na 0.00000000000000 0.68164137285696 0.75000000000000 22.990 4 Na 0.50000000000000 0.81835862714304 0.25000000000000 22.990 5 Cl 0.26131645161953 0.31876356442214 0.60006918756274 35.453 6 Cl 0.76930324989440 0.95071164419792 0.42472493720320 35.453 7 Cl 0.26930324989440 0.54928835580208 0.57527506279680 35.453 8 Cl 0.73069675010560 0.54928835580208 0.92472493720320 35.453 9 Cl 0.76131645161953 0.18123643557786 0.39993081243726 35.453 10 Cl 0.23868354838047 0.81876356442214 0.60006918756274 35.453 11 Cl 0.73868354838047 0.31876356442214 0.89993081243726 35.453 12 Cl 0.23868354838047 0.18123643557786 0.10006918756274 35.453 13 Cl 0.26131645161953 0.68123643557786 0.10006918756274 35.453 14 Cl 0.73868354838047 0.68123643557786 0.39993081243726 35.453 15 Cl 0.23069675010560 0.04928835580208 0.57527506279680 35.453 16 Cl 0.76131645161953 0.81876356442214 0.89993081243726 35.453 17 Cl 0.76930324989440 0.04928835580208 0.92472493720320 35.453 18 Cl 0.26930324989440 0.45071164419792 0.07527506279680 35.453 19 Cl 0.73069675010560 0.45071164419792 0.42472493720320 35.453 20 Cl 0.23069675010560 0.95071164419792 0.07527506279680 35.453 21 Lu 0.00000000000000 0.07165353347813 0.25000000000000 174.967 22 Lu 0.50000000000000 0.57165353347813 0.25000000000000 174.967 23 Lu 0.00000000000000 0.92834646652187 0.75000000000000 174.967 24 Lu 0.50000000000000 0.42834646652187 0.75000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.658629209999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.982056959999996 Atomic positions (fractional): 1 Na 0.00000000000000 0.31835862714304 0.12500000000000 22.990 > 1 2 Na 0.33333333333333 0.31835862714304 0.12500000000000 22.990 > 1 3 Na 0.66666666666667 0.31835862714304 0.12500000000000 22.990 > 1 4 Na 0.00000000000000 0.31835862714304 0.62500000000000 22.990 > 1 5 Na 0.33333333333333 0.31835862714304 0.62500000000000 22.990 > 1 6 Na 0.66666666666667 0.31835862714304 0.62500000000000 22.990 > 1 7 Na 0.16666666666667 0.18164137285696 0.37500000000000 22.990 > 7 8 Na 0.50000000000000 0.18164137285696 0.37500000000000 22.990 > 7 9 Na 0.83333333333333 0.18164137285696 0.37500000000000 22.990 > 7 10 Na 0.16666666666667 0.18164137285696 0.87500000000000 22.990 > 7 11 Na 0.50000000000000 0.18164137285696 0.87500000000000 22.990 > 7 12 Na 0.83333333333333 0.18164137285696 0.87500000000000 22.990 > 7 13 Na 0.00000000000000 0.68164137285696 0.37500000000000 22.990 > 13 14 Na 0.33333333333333 0.68164137285696 0.37500000000000 22.990 > 13 15 Na 0.66666666666667 0.68164137285696 0.37500000000000 22.990 > 13 16 Na 0.00000000000000 0.68164137285696 0.87500000000000 22.990 > 13 17 Na 0.33333333333333 0.68164137285696 0.87500000000000 22.990 > 13 18 Na 0.66666666666667 0.68164137285696 0.87500000000000 22.990 > 13 19 Na 0.16666666666667 0.81835862714304 0.12500000000000 22.990 > 19 20 Na 0.50000000000000 0.81835862714304 0.12500000000000 22.990 > 19 21 Na 0.83333333333333 0.81835862714304 0.12500000000000 22.990 > 19 22 Na 0.16666666666667 0.81835862714304 0.62500000000000 22.990 > 19 23 Na 0.50000000000000 0.81835862714304 0.62500000000000 22.990 > 19 24 Na 0.83333333333333 0.81835862714304 0.62500000000000 22.990 > 19 25 Cl 0.08710548387318 0.31876356442214 0.30003459378137 35.453 > 25 26 Cl 0.42043881720651 0.31876356442214 0.30003459378137 35.453 > 25 27 Cl 0.75377215053984 0.31876356442214 0.30003459378137 35.453 > 25 28 Cl 0.08710548387318 0.31876356442214 0.80003459378137 35.453 > 25 29 Cl 0.42043881720651 0.31876356442214 0.80003459378137 35.453 > 25 30 Cl 0.75377215053984 0.31876356442214 0.80003459378137 35.453 > 25 31 Cl 0.25643441663147 0.95071164419792 0.21236246860160 35.453 > 31 32 Cl 0.58976774996480 0.95071164419792 0.21236246860160 35.453 > 31 33 Cl 0.92310108329813 0.95071164419792 0.21236246860160 35.453 > 31 34 Cl 0.25643441663147 0.95071164419792 0.71236246860160 35.453 > 31 35 Cl 0.58976774996480 0.95071164419792 0.71236246860160 35.453 > 31 36 Cl 0.92310108329813 0.95071164419792 0.71236246860160 35.453 > 31 37 Cl 0.08976774996480 0.54928835580208 0.28763753139840 35.453 > 37 38 Cl 0.42310108329813 0.54928835580208 0.28763753139840 35.453 > 37 39 Cl 0.75643441663147 0.54928835580208 0.28763753139840 35.453 > 37 40 Cl 0.08976774996480 0.54928835580208 0.78763753139840 35.453 > 37 41 Cl 0.42310108329813 0.54928835580208 0.78763753139840 35.453 > 37 42 Cl 0.75643441663147 0.54928835580208 0.78763753139840 35.453 > 37 43 Cl 0.24356558336853 0.54928835580208 0.46236246860160 35.453 > 43 44 Cl 0.57689891670187 0.54928835580208 0.46236246860160 35.453 > 43 45 Cl 0.91023225003520 0.54928835580208 0.46236246860160 35.453 > 43 46 Cl 0.24356558336853 0.54928835580208 0.96236246860160 35.453 > 43 47 Cl 0.57689891670187 0.54928835580208 0.96236246860160 35.453 > 43 48 Cl 0.91023225003520 0.54928835580208 0.96236246860160 35.453 > 43 49 Cl 0.25377215053984 0.18123643557786 0.19996540621863 35.453 > 49 50 Cl 0.58710548387318 0.18123643557786 0.19996540621863 35.453 > 49 51 Cl 0.92043881720651 0.18123643557786 0.19996540621863 35.453 > 49 52 Cl 0.25377215053984 0.18123643557786 0.69996540621863 35.453 > 49 53 Cl 0.58710548387318 0.18123643557786 0.69996540621863 35.453 > 49 54 Cl 0.92043881720651 0.18123643557786 0.69996540621863 35.453 > 49 55 Cl 0.07956118279349 0.81876356442214 0.30003459378137 35.453 > 55 56 Cl 0.41289451612682 0.81876356442214 0.30003459378137 35.453 > 55 57 Cl 0.74622784946016 0.81876356442214 0.30003459378137 35.453 > 55 58 Cl 0.07956118279349 0.81876356442214 0.80003459378137 35.453 > 55 59 Cl 0.41289451612682 0.81876356442214 0.80003459378137 35.453 > 55 60 Cl 0.74622784946016 0.81876356442214 0.80003459378137 35.453 > 55 61 Cl 0.24622784946016 0.31876356442214 0.44996540621863 35.453 > 61 62 Cl 0.57956118279349 0.31876356442214 0.44996540621863 35.453 > 61 63 Cl 0.91289451612682 0.31876356442214 0.44996540621863 35.453 > 61 64 Cl 0.24622784946016 0.31876356442214 0.94996540621863 35.453 > 61 65 Cl 0.57956118279349 0.31876356442214 0.94996540621863 35.453 > 61 66 Cl 0.91289451612682 0.31876356442214 0.94996540621863 35.453 > 61 67 Cl 0.07956118279349 0.18123643557786 0.05003459378137 35.453 > 67 68 Cl 0.41289451612682 0.18123643557786 0.05003459378137 35.453 > 67 69 Cl 0.74622784946016 0.18123643557786 0.05003459378137 35.453 > 67 70 Cl 0.07956118279349 0.18123643557786 0.55003459378137 35.453 > 67 71 Cl 0.41289451612682 0.18123643557786 0.55003459378137 35.453 > 67 72 Cl 0.74622784946016 0.18123643557786 0.55003459378137 35.453 > 67 73 Cl 0.08710548387318 0.68123643557786 0.05003459378137 35.453 > 73 74 Cl 0.42043881720651 0.68123643557786 0.05003459378137 35.453 > 73 75 Cl 0.75377215053984 0.68123643557786 0.05003459378137 35.453 > 73 76 Cl 0.08710548387318 0.68123643557786 0.55003459378137 35.453 > 73 77 Cl 0.42043881720651 0.68123643557786 0.55003459378137 35.453 > 73 78 Cl 0.75377215053984 0.68123643557786 0.55003459378137 35.453 > 73 79 Cl 0.24622784946016 0.68123643557786 0.19996540621863 35.453 > 79 80 Cl 0.57956118279349 0.68123643557786 0.19996540621863 35.453 > 79 81 Cl 0.91289451612682 0.68123643557786 0.19996540621863 35.453 > 79 82 Cl 0.24622784946016 0.68123643557786 0.69996540621863 35.453 > 79 83 Cl 0.57956118279349 0.68123643557786 0.69996540621863 35.453 > 79 84 Cl 0.91289451612682 0.68123643557786 0.69996540621863 35.453 > 79 85 Cl 0.07689891670187 0.04928835580208 0.28763753139840 35.453 > 85 86 Cl 0.41023225003520 0.04928835580208 0.28763753139840 35.453 > 85 87 Cl 0.74356558336853 0.04928835580208 0.28763753139840 35.453 > 85 88 Cl 0.07689891670187 0.04928835580208 0.78763753139840 35.453 > 85 89 Cl 0.41023225003520 0.04928835580208 0.78763753139840 35.453 > 85 90 Cl 0.74356558336853 0.04928835580208 0.78763753139840 35.453 > 85 91 Cl 0.25377215053984 0.81876356442214 0.44996540621863 35.453 > 91 92 Cl 0.58710548387318 0.81876356442214 0.44996540621863 35.453 > 91 93 Cl 0.92043881720651 0.81876356442214 0.44996540621863 35.453 > 91 94 Cl 0.25377215053984 0.81876356442214 0.94996540621863 35.453 > 91 95 Cl 0.58710548387318 0.81876356442214 0.94996540621863 35.453 > 91 96 Cl 0.92043881720651 0.81876356442214 0.94996540621863 35.453 > 91 97 Cl 0.25643441663147 0.04928835580208 0.46236246860160 35.453 > 97 98 Cl 0.58976774996480 0.04928835580208 0.46236246860160 35.453 > 97 99 Cl 0.92310108329813 0.04928835580208 0.46236246860160 35.453 > 97 100 Cl 0.25643441663147 0.04928835580208 0.96236246860160 35.453 > 97 101 Cl 0.58976774996480 0.04928835580208 0.96236246860160 35.453 > 97 102 Cl 0.92310108329813 0.04928835580208 0.96236246860160 35.453 > 97 103 Cl 0.08976774996480 0.45071164419792 0.03763753139840 35.453 > 103 104 Cl 0.42310108329813 0.45071164419792 0.03763753139840 35.453 > 103 105 Cl 0.75643441663147 0.45071164419792 0.03763753139840 35.453 > 103 106 Cl 0.08976774996480 0.45071164419792 0.53763753139840 35.453 > 103 107 Cl 0.42310108329813 0.45071164419792 0.53763753139840 35.453 > 103 108 Cl 0.75643441663147 0.45071164419792 0.53763753139840 35.453 > 103 109 Cl 0.24356558336853 0.45071164419792 0.21236246860160 35.453 > 109 110 Cl 0.57689891670187 0.45071164419792 0.21236246860160 35.453 > 109 111 Cl 0.91023225003520 0.45071164419792 0.21236246860160 35.453 > 109 112 Cl 0.24356558336853 0.45071164419792 0.71236246860160 35.453 > 109 113 Cl 0.57689891670187 0.45071164419792 0.71236246860160 35.453 > 109 114 Cl 0.91023225003520 0.45071164419792 0.71236246860160 35.453 > 109 115 Cl 0.07689891670187 0.95071164419792 0.03763753139840 35.453 > 115 116 Cl 0.41023225003520 0.95071164419792 0.03763753139840 35.453 > 115 117 Cl 0.74356558336853 0.95071164419792 0.03763753139840 35.453 > 115 118 Cl 0.07689891670187 0.95071164419792 0.53763753139840 35.453 > 115 119 Cl 0.41023225003520 0.95071164419792 0.53763753139840 35.453 > 115 120 Cl 0.74356558336853 0.95071164419792 0.53763753139840 35.453 > 115 121 Lu 0.00000000000000 0.07165353347813 0.12500000000000 174.967 > 121 122 Lu 0.33333333333333 0.07165353347813 0.12500000000000 174.967 > 121 123 Lu 0.66666666666667 0.07165353347813 0.12500000000000 174.967 > 121 124 Lu 0.00000000000000 0.07165353347813 0.62500000000000 174.967 > 121 125 Lu 0.33333333333333 0.07165353347813 0.62500000000000 174.967 > 121 126 Lu 0.66666666666667 0.07165353347813 0.62500000000000 174.967 > 121 127 Lu 0.16666666666667 0.57165353347813 0.12500000000000 174.967 > 127 128 Lu 0.50000000000000 0.57165353347813 0.12500000000000 174.967 > 127 129 Lu 0.83333333333333 0.57165353347813 0.12500000000000 174.967 > 127 130 Lu 0.16666666666667 0.57165353347813 0.62500000000000 174.967 > 127 131 Lu 0.50000000000000 0.57165353347813 0.62500000000000 174.967 > 127 132 Lu 0.83333333333333 0.57165353347813 0.62500000000000 174.967 > 127 133 Lu 0.00000000000000 0.92834646652187 0.37500000000000 174.967 > 133 134 Lu 0.33333333333333 0.92834646652187 0.37500000000000 174.967 > 133 135 Lu 0.66666666666667 0.92834646652187 0.37500000000000 174.967 > 133 136 Lu 0.00000000000000 0.92834646652187 0.87500000000000 174.967 > 133 137 Lu 0.33333333333333 0.92834646652187 0.87500000000000 174.967 > 133 138 Lu 0.66666666666667 0.92834646652187 0.87500000000000 174.967 > 133 139 Lu 0.16666666666667 0.42834646652187 0.37500000000000 174.967 > 139 140 Lu 0.50000000000000 0.42834646652187 0.37500000000000 174.967 > 139 141 Lu 0.83333333333333 0.42834646652187 0.37500000000000 174.967 > 139 142 Lu 0.16666666666667 0.42834646652187 0.87500000000000 174.967 > 139 143 Lu 0.50000000000000 0.42834646652187 0.87500000000000 174.967 > 139 144 Lu 0.83333333333333 0.42834646652187 0.87500000000000 174.967 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7465193 0.0000000 0.0000000 0.0000000 2.8641243 0.0000000 0.0000000 0.0000000 2.9187773 -------------------------- Born effective charges -------------------------- 1 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 2 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 3 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 4 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 5 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 6 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 7 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 8 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 9 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 10 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 11 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 12 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 13 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 14 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 15 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 16 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 17 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 18 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 19 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 20 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 21 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 22 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 23 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 24 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 07:47:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:47:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.219543069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.491028479999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.31835862714304 0.25000000000000 22.990 2 Na 0.50000000000000 0.18164137285696 0.75000000000000 22.990 3 Na 0.00000000000000 0.68164137285696 0.75000000000000 22.990 4 Na 0.50000000000000 0.81835862714304 0.25000000000000 22.990 5 Cl 0.26131645161953 0.31876356442214 0.60006918756274 35.453 6 Cl 0.76930324989440 0.95071164419792 0.42472493720320 35.453 7 Cl 0.26930324989440 0.54928835580208 0.57527506279680 35.453 8 Cl 0.73069675010560 0.54928835580208 0.92472493720320 35.453 9 Cl 0.76131645161953 0.18123643557786 0.39993081243726 35.453 10 Cl 0.23868354838047 0.81876356442214 0.60006918756274 35.453 11 Cl 0.73868354838047 0.31876356442214 0.89993081243726 35.453 12 Cl 0.23868354838047 0.18123643557786 0.10006918756274 35.453 13 Cl 0.26131645161953 0.68123643557786 0.10006918756274 35.453 14 Cl 0.73868354838047 0.68123643557786 0.39993081243726 35.453 15 Cl 0.23069675010560 0.04928835580208 0.57527506279680 35.453 16 Cl 0.76131645161953 0.81876356442214 0.89993081243726 35.453 17 Cl 0.76930324989440 0.04928835580208 0.92472493720320 35.453 18 Cl 0.26930324989440 0.45071164419792 0.07527506279680 35.453 19 Cl 0.73069675010560 0.45071164419792 0.42472493720320 35.453 20 Cl 0.23069675010560 0.95071164419792 0.07527506279680 35.453 21 Lu 0.00000000000000 0.07165353347813 0.25000000000000 174.967 22 Lu 0.50000000000000 0.57165353347813 0.25000000000000 174.967 23 Lu 0.00000000000000 0.92834646652187 0.75000000000000 174.967 24 Lu 0.50000000000000 0.42834646652187 0.75000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.658629209999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.801176009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.982056959999996 Atomic positions (fractional): 1 Na 0.00000000000000 0.31835862714304 0.12500000000000 22.990 > 1 2 Na 0.33333333333333 0.31835862714304 0.12500000000000 22.990 > 1 3 Na 0.66666666666667 0.31835862714304 0.12500000000000 22.990 > 1 4 Na 0.00000000000000 0.31835862714304 0.62500000000000 22.990 > 1 5 Na 0.33333333333333 0.31835862714304 0.62500000000000 22.990 > 1 6 Na 0.66666666666667 0.31835862714304 0.62500000000000 22.990 > 1 7 Na 0.16666666666667 0.18164137285696 0.37500000000000 22.990 > 7 8 Na 0.50000000000000 0.18164137285696 0.37500000000000 22.990 > 7 9 Na 0.83333333333333 0.18164137285696 0.37500000000000 22.990 > 7 10 Na 0.16666666666667 0.18164137285696 0.87500000000000 22.990 > 7 11 Na 0.50000000000000 0.18164137285696 0.87500000000000 22.990 > 7 12 Na 0.83333333333333 0.18164137285696 0.87500000000000 22.990 > 7 13 Na 0.00000000000000 0.68164137285696 0.37500000000000 22.990 > 13 14 Na 0.33333333333333 0.68164137285696 0.37500000000000 22.990 > 13 15 Na 0.66666666666667 0.68164137285696 0.37500000000000 22.990 > 13 16 Na 0.00000000000000 0.68164137285696 0.87500000000000 22.990 > 13 17 Na 0.33333333333333 0.68164137285696 0.87500000000000 22.990 > 13 18 Na 0.66666666666667 0.68164137285696 0.87500000000000 22.990 > 13 19 Na 0.16666666666667 0.81835862714304 0.12500000000000 22.990 > 19 20 Na 0.50000000000000 0.81835862714304 0.12500000000000 22.990 > 19 21 Na 0.83333333333333 0.81835862714304 0.12500000000000 22.990 > 19 22 Na 0.16666666666667 0.81835862714304 0.62500000000000 22.990 > 19 23 Na 0.50000000000000 0.81835862714304 0.62500000000000 22.990 > 19 24 Na 0.83333333333333 0.81835862714304 0.62500000000000 22.990 > 19 25 Cl 0.08710548387318 0.31876356442214 0.30003459378137 35.453 > 25 26 Cl 0.42043881720651 0.31876356442214 0.30003459378137 35.453 > 25 27 Cl 0.75377215053984 0.31876356442214 0.30003459378137 35.453 > 25 28 Cl 0.08710548387318 0.31876356442214 0.80003459378137 35.453 > 25 29 Cl 0.42043881720651 0.31876356442214 0.80003459378137 35.453 > 25 30 Cl 0.75377215053984 0.31876356442214 0.80003459378137 35.453 > 25 31 Cl 0.25643441663147 0.95071164419792 0.21236246860160 35.453 > 31 32 Cl 0.58976774996480 0.95071164419792 0.21236246860160 35.453 > 31 33 Cl 0.92310108329813 0.95071164419792 0.21236246860160 35.453 > 31 34 Cl 0.25643441663147 0.95071164419792 0.71236246860160 35.453 > 31 35 Cl 0.58976774996480 0.95071164419792 0.71236246860160 35.453 > 31 36 Cl 0.92310108329813 0.95071164419792 0.71236246860160 35.453 > 31 37 Cl 0.08976774996480 0.54928835580208 0.28763753139840 35.453 > 37 38 Cl 0.42310108329813 0.54928835580208 0.28763753139840 35.453 > 37 39 Cl 0.75643441663147 0.54928835580208 0.28763753139840 35.453 > 37 40 Cl 0.08976774996480 0.54928835580208 0.78763753139840 35.453 > 37 41 Cl 0.42310108329813 0.54928835580208 0.78763753139840 35.453 > 37 42 Cl 0.75643441663147 0.54928835580208 0.78763753139840 35.453 > 37 43 Cl 0.24356558336853 0.54928835580208 0.46236246860160 35.453 > 43 44 Cl 0.57689891670187 0.54928835580208 0.46236246860160 35.453 > 43 45 Cl 0.91023225003520 0.54928835580208 0.46236246860160 35.453 > 43 46 Cl 0.24356558336853 0.54928835580208 0.96236246860160 35.453 > 43 47 Cl 0.57689891670187 0.54928835580208 0.96236246860160 35.453 > 43 48 Cl 0.91023225003520 0.54928835580208 0.96236246860160 35.453 > 43 49 Cl 0.25377215053984 0.18123643557786 0.19996540621863 35.453 > 49 50 Cl 0.58710548387318 0.18123643557786 0.19996540621863 35.453 > 49 51 Cl 0.92043881720651 0.18123643557786 0.19996540621863 35.453 > 49 52 Cl 0.25377215053984 0.18123643557786 0.69996540621863 35.453 > 49 53 Cl 0.58710548387318 0.18123643557786 0.69996540621863 35.453 > 49 54 Cl 0.92043881720651 0.18123643557786 0.69996540621863 35.453 > 49 55 Cl 0.07956118279349 0.81876356442214 0.30003459378137 35.453 > 55 56 Cl 0.41289451612682 0.81876356442214 0.30003459378137 35.453 > 55 57 Cl 0.74622784946016 0.81876356442214 0.30003459378137 35.453 > 55 58 Cl 0.07956118279349 0.81876356442214 0.80003459378137 35.453 > 55 59 Cl 0.41289451612682 0.81876356442214 0.80003459378137 35.453 > 55 60 Cl 0.74622784946016 0.81876356442214 0.80003459378137 35.453 > 55 61 Cl 0.24622784946016 0.31876356442214 0.44996540621863 35.453 > 61 62 Cl 0.57956118279349 0.31876356442214 0.44996540621863 35.453 > 61 63 Cl 0.91289451612682 0.31876356442214 0.44996540621863 35.453 > 61 64 Cl 0.24622784946016 0.31876356442214 0.94996540621863 35.453 > 61 65 Cl 0.57956118279349 0.31876356442214 0.94996540621863 35.453 > 61 66 Cl 0.91289451612682 0.31876356442214 0.94996540621863 35.453 > 61 67 Cl 0.07956118279349 0.18123643557786 0.05003459378137 35.453 > 67 68 Cl 0.41289451612682 0.18123643557786 0.05003459378137 35.453 > 67 69 Cl 0.74622784946016 0.18123643557786 0.05003459378137 35.453 > 67 70 Cl 0.07956118279349 0.18123643557786 0.55003459378137 35.453 > 67 71 Cl 0.41289451612682 0.18123643557786 0.55003459378137 35.453 > 67 72 Cl 0.74622784946016 0.18123643557786 0.55003459378137 35.453 > 67 73 Cl 0.08710548387318 0.68123643557786 0.05003459378137 35.453 > 73 74 Cl 0.42043881720651 0.68123643557786 0.05003459378137 35.453 > 73 75 Cl 0.75377215053984 0.68123643557786 0.05003459378137 35.453 > 73 76 Cl 0.08710548387318 0.68123643557786 0.55003459378137 35.453 > 73 77 Cl 0.42043881720651 0.68123643557786 0.55003459378137 35.453 > 73 78 Cl 0.75377215053984 0.68123643557786 0.55003459378137 35.453 > 73 79 Cl 0.24622784946016 0.68123643557786 0.19996540621863 35.453 > 79 80 Cl 0.57956118279349 0.68123643557786 0.19996540621863 35.453 > 79 81 Cl 0.91289451612682 0.68123643557786 0.19996540621863 35.453 > 79 82 Cl 0.24622784946016 0.68123643557786 0.69996540621863 35.453 > 79 83 Cl 0.57956118279349 0.68123643557786 0.69996540621863 35.453 > 79 84 Cl 0.91289451612682 0.68123643557786 0.69996540621863 35.453 > 79 85 Cl 0.07689891670187 0.04928835580208 0.28763753139840 35.453 > 85 86 Cl 0.41023225003520 0.04928835580208 0.28763753139840 35.453 > 85 87 Cl 0.74356558336853 0.04928835580208 0.28763753139840 35.453 > 85 88 Cl 0.07689891670187 0.04928835580208 0.78763753139840 35.453 > 85 89 Cl 0.41023225003520 0.04928835580208 0.78763753139840 35.453 > 85 90 Cl 0.74356558336853 0.04928835580208 0.78763753139840 35.453 > 85 91 Cl 0.25377215053984 0.81876356442214 0.44996540621863 35.453 > 91 92 Cl 0.58710548387318 0.81876356442214 0.44996540621863 35.453 > 91 93 Cl 0.92043881720651 0.81876356442214 0.44996540621863 35.453 > 91 94 Cl 0.25377215053984 0.81876356442214 0.94996540621863 35.453 > 91 95 Cl 0.58710548387318 0.81876356442214 0.94996540621863 35.453 > 91 96 Cl 0.92043881720651 0.81876356442214 0.94996540621863 35.453 > 91 97 Cl 0.25643441663147 0.04928835580208 0.46236246860160 35.453 > 97 98 Cl 0.58976774996480 0.04928835580208 0.46236246860160 35.453 > 97 99 Cl 0.92310108329813 0.04928835580208 0.46236246860160 35.453 > 97 100 Cl 0.25643441663147 0.04928835580208 0.96236246860160 35.453 > 97 101 Cl 0.58976774996480 0.04928835580208 0.96236246860160 35.453 > 97 102 Cl 0.92310108329813 0.04928835580208 0.96236246860160 35.453 > 97 103 Cl 0.08976774996480 0.45071164419792 0.03763753139840 35.453 > 103 104 Cl 0.42310108329813 0.45071164419792 0.03763753139840 35.453 > 103 105 Cl 0.75643441663147 0.45071164419792 0.03763753139840 35.453 > 103 106 Cl 0.08976774996480 0.45071164419792 0.53763753139840 35.453 > 103 107 Cl 0.42310108329813 0.45071164419792 0.53763753139840 35.453 > 103 108 Cl 0.75643441663147 0.45071164419792 0.53763753139840 35.453 > 103 109 Cl 0.24356558336853 0.45071164419792 0.21236246860160 35.453 > 109 110 Cl 0.57689891670187 0.45071164419792 0.21236246860160 35.453 > 109 111 Cl 0.91023225003520 0.45071164419792 0.21236246860160 35.453 > 109 112 Cl 0.24356558336853 0.45071164419792 0.71236246860160 35.453 > 109 113 Cl 0.57689891670187 0.45071164419792 0.71236246860160 35.453 > 109 114 Cl 0.91023225003520 0.45071164419792 0.71236246860160 35.453 > 109 115 Cl 0.07689891670187 0.95071164419792 0.03763753139840 35.453 > 115 116 Cl 0.41023225003520 0.95071164419792 0.03763753139840 35.453 > 115 117 Cl 0.74356558336853 0.95071164419792 0.03763753139840 35.453 > 115 118 Cl 0.07689891670187 0.95071164419792 0.53763753139840 35.453 > 115 119 Cl 0.41023225003520 0.95071164419792 0.53763753139840 35.453 > 115 120 Cl 0.74356558336853 0.95071164419792 0.53763753139840 35.453 > 115 121 Lu 0.00000000000000 0.07165353347813 0.12500000000000 174.967 > 121 122 Lu 0.33333333333333 0.07165353347813 0.12500000000000 174.967 > 121 123 Lu 0.66666666666667 0.07165353347813 0.12500000000000 174.967 > 121 124 Lu 0.00000000000000 0.07165353347813 0.62500000000000 174.967 > 121 125 Lu 0.33333333333333 0.07165353347813 0.62500000000000 174.967 > 121 126 Lu 0.66666666666667 0.07165353347813 0.62500000000000 174.967 > 121 127 Lu 0.16666666666667 0.57165353347813 0.12500000000000 174.967 > 127 128 Lu 0.50000000000000 0.57165353347813 0.12500000000000 174.967 > 127 129 Lu 0.83333333333333 0.57165353347813 0.12500000000000 174.967 > 127 130 Lu 0.16666666666667 0.57165353347813 0.62500000000000 174.967 > 127 131 Lu 0.50000000000000 0.57165353347813 0.62500000000000 174.967 > 127 132 Lu 0.83333333333333 0.57165353347813 0.62500000000000 174.967 > 127 133 Lu 0.00000000000000 0.92834646652187 0.37500000000000 174.967 > 133 134 Lu 0.33333333333333 0.92834646652187 0.37500000000000 174.967 > 133 135 Lu 0.66666666666667 0.92834646652187 0.37500000000000 174.967 > 133 136 Lu 0.00000000000000 0.92834646652187 0.87500000000000 174.967 > 133 137 Lu 0.33333333333333 0.92834646652187 0.87500000000000 174.967 > 133 138 Lu 0.66666666666667 0.92834646652187 0.87500000000000 174.967 > 133 139 Lu 0.16666666666667 0.42834646652187 0.37500000000000 174.967 > 139 140 Lu 0.50000000000000 0.42834646652187 0.37500000000000 174.967 > 139 141 Lu 0.83333333333333 0.42834646652187 0.37500000000000 174.967 > 139 142 Lu 0.16666666666667 0.42834646652187 0.87500000000000 174.967 > 139 143 Lu 0.50000000000000 0.42834646652187 0.87500000000000 174.967 > 139 144 Lu 0.83333333333333 0.42834646652187 0.87500000000000 174.967 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7465193 0.0000000 0.0000000 0.0000000 2.8641243 0.0000000 0.0000000 0.0000000 2.9187773 -------------------------- Born effective charges -------------------------- 1 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 2 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 3 Na 1.1900385 -0.0000000 0.1064559 -0.0000000 1.3121426 -0.0000000 0.0700835 -0.0000000 1.1519741 4 Na 1.1900385 -0.0000000 -0.1064559 -0.0000000 1.3121426 -0.0000000 -0.0700835 -0.0000000 1.1519741 5 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 6 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 7 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 8 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 9 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 10 Cl -1.0445424 0.4176235 0.3896184 0.4022965 -1.3314622 -0.2925614 0.4069794 -0.2635108 -0.9348482 11 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 12 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 13 Cl -1.0445424 0.4176235 -0.3896184 0.4022965 -1.3314622 0.2925614 -0.4069794 0.2635108 -0.9348482 14 Cl -1.0445424 -0.4176235 -0.3896184 -0.4022965 -1.3314622 -0.2925614 -0.4069794 -0.2635108 -0.9348482 15 Cl -0.9463228 -0.3190869 -0.2202574 -0.2835245 -0.9894914 0.3433781 -0.2345484 0.4098206 -1.4647294 16 Cl -1.0445424 -0.4176235 0.3896184 -0.4022965 -1.3314622 0.2925614 0.4069794 0.2635108 -0.9348482 17 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 18 Cl -0.9463228 -0.3190869 0.2202574 -0.2835245 -0.9894914 -0.3433781 0.2345484 -0.4098206 -1.4647294 19 Cl -0.9463228 0.3190869 0.2202574 0.2835245 -0.9894914 0.3433781 0.2345484 0.4098206 -1.4647294 20 Cl -0.9463228 0.3190869 -0.2202574 0.2835245 -0.9894914 -0.3433781 -0.2345484 -0.4098206 -1.4647294 21 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 22 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 23 Lu 2.7916920 -0.0000000 -0.1777957 -0.0000000 3.3297647 -0.0000000 -0.1861295 -0.0000000 3.6471811 24 Lu 2.7916920 -0.0000000 0.1777957 -0.0000000 3.3297647 -0.0000000 0.1861295 -0.0000000 3.6471811 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.647 ( 0.000 0.000 0.000) 0.000 0.720 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 12.109 0.000 0.000) 12.109 0.336 ( 15.812 0.000 0.000) 15.812 0.449 ( 21.015 0.000 0.000) 21.015 0.717 ( 6.341 0.000 0.000) 6.341 0.749 ( 2.657 0.000 0.000) 2.657 1.012 ( -1.446 0.000 0.000) 1.446 1.207 ( 3.562 0.000 0.000) 3.562 1.277 ( 2.036 0.000 0.000) 2.036 1.648 ( 1.095 0.000 0.000) 1.095 1.782 ( -2.050 0.000 0.000) 2.050 1.804 ( 3.607 0.000 0.000) 3.607 1.856 ( 1.664 0.000 0.000) 1.664 1.910 ( -6.369 0.000 0.000) 6.369 1.928 ( -1.544 0.000 0.000) 1.544 1.951 ( 4.573 0.000 0.000) 4.573 1.999 ( 1.341 0.000 0.000) 1.341 2.012 ( 2.882 0.000 0.000) 2.882 2.150 ( 4.100 0.000 0.000) 4.100 2.235 ( -4.146 0.000 0.000) 4.146 2.304 ( -0.279 0.000 0.000) 0.279 2.414 ( -2.481 0.000 0.000) 2.481 2.557 ( 3.265 0.000 0.000) 3.265 2.590 ( 1.293 0.000 0.000) 1.293 2.608 ( -0.197 0.000 0.000) 0.197 2.689 ( 5.291 0.000 0.000) 5.291 2.896 ( 2.093 0.000 0.000) 2.093 2.999 ( -1.044 0.000 0.000) 1.044 3.016 ( -1.573 0.000 0.000) 1.573 3.072 ( -1.623 0.000 0.000) 1.623 3.358 ( -3.101 0.000 0.000) 3.101 3.445 ( 1.830 0.000 0.000) 1.830 3.451 ( -1.975 0.000 0.000) 1.975 3.702 ( -5.694 0.000 0.000) 5.694 3.744 ( -6.390 0.000 0.000) 6.390 3.809 ( -11.764 0.000 0.000) 11.764 3.818 ( -8.121 0.000 0.000) 8.121 4.146 ( 2.857 0.000 0.000) 2.857 4.253 ( -1.993 0.000 0.000) 1.993 4.288 ( 0.575 0.000 0.000) 0.575 4.293 ( 2.568 0.000 0.000) 2.568 4.608 ( -3.655 0.000 0.000) 3.655 4.612 ( 6.062 0.000 0.000) 6.062 4.627 ( -0.266 0.000 0.000) 0.266 4.749 ( -0.521 0.000 0.000) 0.521 4.958 ( 7.149 0.000 0.000) 7.149 4.973 ( 4.963 0.000 0.000) 4.963 5.025 ( 4.016 0.000 0.000) 4.016 5.599 ( -10.402 0.000 0.000) 10.402 5.724 ( -1.709 0.000 0.000) 1.709 5.729 ( -0.326 0.000 0.000) 0.326 5.995 ( 0.454 0.000 0.000) 0.454 6.003 ( 0.272 0.000 0.000) 0.272 6.014 ( 0.292 0.000 0.000) 0.292 6.060 ( -1.255 0.000 0.000) 1.255 6.116 ( -2.112 0.000 0.000) 2.112 6.263 ( -2.986 0.000 0.000) 2.986 6.662 ( 7.267 0.000 0.000) 7.267 6.831 ( 1.662 0.000 0.000) 1.662 7.172 ( -1.033 0.000 0.000) 1.033 7.207 ( -0.930 0.000 0.000) 0.930 7.226 ( -1.368 0.000 0.000) 1.368 7.267 ( 0.219 0.000 0.000) 0.219 7.302 ( 1.145 0.000 0.000) 1.145 7.642 ( -8.726 0.000 0.000) 8.726 7.900 ( 2.462 0.000 0.000) 2.462 8.016 ( 5.831 0.000 0.000) 5.831 8.048 ( 6.691 0.000 0.000) 6.691 8.436 ( -0.027 0.000 0.000) 0.027 8.723 ( -2.008 0.000 0.000) 2.008 8.791 ( -1.649 0.000 0.000) 1.649 8.833 ( -3.673 0.000 0.000) 3.673 8.847 ( -5.533 0.000 0.000) 5.533 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 12.277 0.000 0.000) 12.277 0.619 ( 12.043 0.000 0.000) 12.043 0.796 ( 8.340 0.000 0.000) 8.340 0.836 ( 10.117 0.000 0.000) 10.117 0.869 ( 7.977 0.000 0.000) 7.977 1.002 ( 0.276 0.000 0.000) 0.276 1.277 ( 3.016 0.000 0.000) 3.016 1.320 ( 2.211 0.000 0.000) 2.211 1.683 ( 2.155 0.000 0.000) 2.155 1.713 ( -4.351 0.000 0.000) 4.351 1.794 ( -5.060 0.000 0.000) 5.060 1.827 ( -4.639 0.000 0.000) 4.639 1.897 ( 4.508 0.000 0.000) 4.508 1.906 ( 0.434 0.000 0.000) 0.434 2.045 ( -0.571 0.000 0.000) 0.571 2.052 ( 2.757 0.000 0.000) 2.757 2.103 ( 9.514 0.000 0.000) 9.514 2.160 ( -1.374 0.000 0.000) 1.374 2.234 ( 5.194 0.000 0.000) 5.194 2.347 ( 4.103 0.000 0.000) 4.103 2.367 ( -0.855 0.000 0.000) 0.855 2.622 ( 1.743 0.000 0.000) 1.743 2.625 ( 2.925 0.000 0.000) 2.925 2.631 ( 2.500 0.000 0.000) 2.500 2.796 ( 4.932 0.000 0.000) 4.932 2.930 ( -5.065 0.000 0.000) 5.065 2.947 ( 2.650 0.000 0.000) 2.650 3.006 ( -0.056 0.000 0.000) 0.056 3.024 ( -3.031 0.000 0.000) 3.031 3.226 ( -9.054 0.000 0.000) 9.054 3.420 ( -2.483 0.000 0.000) 2.483 3.459 ( -3.307 0.000 0.000) 3.307 3.542 ( -13.676 0.000 0.000) 13.676 3.560 ( -8.043 0.000 0.000) 8.043 3.594 ( -5.276 0.000 0.000) 5.276 3.668 ( -5.663 0.000 0.000) 5.663 4.181 ( 0.815 0.000 0.000) 0.815 4.216 ( -1.447 0.000 0.000) 1.447 4.302 ( 0.754 0.000 0.000) 0.754 4.326 ( 0.789 0.000 0.000) 0.789 4.560 ( -1.140 0.000 0.000) 1.140 4.623 ( -0.318 0.000 0.000) 0.318 4.740 ( 5.587 0.000 0.000) 5.587 4.743 ( -0.117 0.000 0.000) 0.117 5.083 ( 5.294 0.000 0.000) 5.294 5.089 ( 5.508 0.000 0.000) 5.508 5.109 ( 3.817 0.000 0.000) 3.817 5.353 ( -11.718 0.000 0.000) 11.718 5.703 ( -0.689 0.000 0.000) 0.689 5.720 ( -0.525 0.000 0.000) 0.525 6.006 ( 0.575 0.000 0.000) 0.575 6.007 ( 0.078 0.000 0.000) 0.078 6.022 ( 0.531 0.000 0.000) 0.531 6.048 ( -0.133 0.000 0.000) 0.133 6.068 ( -2.301 0.000 0.000) 2.301 6.190 ( -3.902 0.000 0.000) 3.902 6.801 ( 6.045 0.000 0.000) 6.045 6.875 ( 2.535 0.000 0.000) 2.535 7.153 ( -0.656 0.000 0.000) 0.656 7.180 ( -1.618 0.000 0.000) 1.618 7.188 ( -2.240 0.000 0.000) 2.240 7.264 ( -0.712 0.000 0.000) 0.712 7.329 ( 1.346 0.000 0.000) 1.346 7.490 ( -6.026 0.000 0.000) 6.026 7.966 ( 3.947 0.000 0.000) 3.947 8.150 ( 3.281 0.000 0.000) 3.281 8.170 ( 8.790 0.000 0.000) 8.790 8.435 ( -0.036 0.000 0.000) 0.036 8.673 ( -2.719 0.000 0.000) 2.719 8.703 ( -8.050 0.000 0.000) 8.050 8.742 ( -3.034 0.000 0.000) 3.034 8.753 ( -3.716 0.000 0.000) 3.716 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 10.671 0.000 0.000) 10.671 0.811 ( 6.917 0.000 0.000) 6.917 0.877 ( 2.669 0.000 0.000) 2.669 0.993 ( -2.106 0.000 0.000) 2.106 1.010 ( 5.448 0.000 0.000) 5.448 1.030 ( 5.733 0.000 0.000) 5.733 1.332 ( 2.621 0.000 0.000) 2.621 1.366 ( 2.070 0.000 0.000) 2.070 1.640 ( -2.260 0.000 0.000) 2.260 1.712 ( -5.638 0.000 0.000) 5.638 1.713 ( -2.629 0.000 0.000) 2.629 1.716 ( 0.601 0.000 0.000) 0.601 1.936 ( 2.250 0.000 0.000) 2.250 1.939 ( -0.027 0.000 0.000) 0.027 2.000 ( -3.040 0.000 0.000) 3.040 2.044 ( -2.424 0.000 0.000) 2.424 2.236 ( 7.439 0.000 0.000) 7.439 2.302 ( 8.881 0.000 0.000) 8.881 2.360 ( 6.719 0.000 0.000) 6.719 2.419 ( 4.947 0.000 0.000) 4.947 2.445 ( 4.963 0.000 0.000) 4.963 2.645 ( -2.396 0.000 0.000) 2.396 2.677 ( 3.616 0.000 0.000) 3.616 2.688 ( 3.427 0.000 0.000) 3.427 2.828 ( -3.133 0.000 0.000) 3.133 2.880 ( 3.050 0.000 0.000) 3.050 2.956 ( -3.271 0.000 0.000) 3.271 2.984 ( 0.091 0.000 0.000) 0.091 3.005 ( -0.388 0.000 0.000) 0.388 3.032 ( -9.343 0.000 0.000) 9.343 3.289 ( -9.036 0.000 0.000) 9.036 3.307 ( -8.347 0.000 0.000) 8.347 3.325 ( -6.108 0.000 0.000) 6.108 3.389 ( -8.517 0.000 0.000) 8.517 3.586 ( 1.320 0.000 0.000) 1.320 3.611 ( -0.735 0.000 0.000) 0.735 4.188 ( 0.082 0.000 0.000) 0.082 4.196 ( -0.583 0.000 0.000) 0.583 4.316 ( 0.637 0.000 0.000) 0.637 4.331 ( -0.102 0.000 0.000) 0.102 4.557 ( 0.729 0.000 0.000) 0.729 4.609 ( -1.094 0.000 0.000) 1.094 4.745 ( 0.464 0.000 0.000) 0.464 4.798 ( -0.202 0.000 0.000) 0.202 5.164 ( 1.505 0.000 0.000) 1.505 5.168 ( 2.926 0.000 0.000) 2.926 5.172 ( 2.682 0.000 0.000) 2.682 5.192 ( -3.578 0.000 0.000) 3.578 5.695 ( -0.110 0.000 0.000) 0.110 5.709 ( -0.585 0.000 0.000) 0.585 6.006 ( -0.081 0.000 0.000) 0.081 6.012 ( -0.183 0.000 0.000) 0.183 6.034 ( 0.580 0.000 0.000) 0.580 6.041 ( 0.018 0.000 0.000) 0.018 6.047 ( -0.043 0.000 0.000) 0.043 6.117 ( -3.254 0.000 0.000) 3.254 6.900 ( 3.741 0.000 0.000) 3.741 6.924 ( 2.096 0.000 0.000) 2.096 7.144 ( -1.974 0.000 0.000) 1.974 7.145 ( -1.749 0.000 0.000) 1.749 7.152 ( 0.717 0.000 0.000) 0.717 7.232 ( -2.408 0.000 0.000) 2.408 7.354 ( 1.131 0.000 0.000) 1.131 7.407 ( -2.430 0.000 0.000) 2.430 8.051 ( 4.387 0.000 0.000) 4.387 8.178 ( -0.495 0.000 0.000) 0.495 8.348 ( 8.518 0.000 0.000) 8.518 8.438 ( 0.480 0.000 0.000) 0.480 8.552 ( -6.302 0.000 0.000) 6.302 8.610 ( -4.012 0.000 0.000) 4.012 8.683 ( -2.173 0.000 0.000) 2.173 8.694 ( -2.146 0.000 0.000) 2.146 ======================= Grid point 4 (5/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -1.406 0.000 0.000) 1.406 0.895 ( 1.406 0.000 0.000) 1.406 0.900 ( -7.080 0.000 0.000) 7.080 0.900 ( 7.080 0.000 0.000) 7.080 1.073 ( -0.760 0.000 0.000) 0.760 1.073 ( 0.761 0.000 0.000) 0.761 1.377 ( -1.288 0.000 0.000) 1.288 1.377 ( 1.288 0.000 0.000) 1.288 1.634 ( -1.764 0.000 0.000) 1.764 1.634 ( 1.764 0.000 0.000) 1.764 1.702 ( -1.185 0.000 0.000) 1.185 1.702 ( 1.185 0.000 0.000) 1.185 1.949 ( -1.649 0.000 0.000) 1.649 1.949 ( 1.649 0.000 0.000) 1.649 1.989 ( -2.838 0.000 0.000) 2.838 1.989 ( 2.838 0.000 0.000) 2.838 2.376 ( -3.405 0.000 0.000) 3.405 2.376 ( 3.405 0.000 0.000) 3.405 2.462 ( -2.105 0.000 0.000) 2.105 2.462 ( 2.105 0.000 0.000) 2.105 2.537 ( -5.240 0.000 0.000) 5.240 2.537 ( 5.240 0.000 0.000) 5.240 2.745 ( -0.974 0.000 0.000) 0.974 2.745 ( 0.974 0.000 0.000) 0.974 2.851 ( -3.834 0.000 0.000) 3.834 2.851 ( 3.834 0.000 0.000) 3.834 2.927 ( -1.996 0.000 0.000) 1.996 2.927 ( 1.996 0.000 0.000) 1.996 2.970 ( -2.968 0.000 0.000) 2.968 2.970 ( 2.968 0.000 0.000) 2.968 3.224 ( -2.599 0.000 0.000) 2.599 3.224 ( 2.599 0.000 0.000) 2.599 3.255 ( -3.329 0.000 0.000) 3.329 3.255 ( 3.329 0.000 0.000) 3.329 3.604 ( -0.425 0.000 0.000) 0.425 3.604 ( 0.425 0.000 0.000) 0.425 4.190 ( -0.158 0.000 0.000) 0.158 4.190 ( 0.159 0.000 0.000) 0.159 4.326 ( -0.359 0.000 0.000) 0.359 4.326 ( 0.359 0.000 0.000) 0.359 4.582 ( -1.512 0.000 0.000) 1.512 4.582 ( 1.512 0.000 0.000) 1.512 4.767 ( -1.745 0.000 0.000) 1.745 4.767 ( 1.745 0.000 0.000) 1.745 5.174 ( -0.205 0.000 0.000) 0.205 5.174 ( 0.205 0.000 0.000) 0.205 5.198 ( -0.080 0.000 0.000) 0.080 5.198 ( 0.080 0.000 0.000) 0.080 5.698 ( -0.401 0.000 0.000) 0.401 5.698 ( 0.401 0.000 0.000) 0.401 6.007 ( -0.143 0.000 0.000) 0.143 6.007 ( 0.143 0.000 0.000) 0.143 6.044 ( -0.353 0.000 0.000) 0.353 6.044 ( 0.353 0.000 0.000) 0.353 6.064 ( -1.971 0.000 0.000) 1.971 6.064 ( 1.971 0.000 0.000) 1.971 6.945 ( -0.474 0.000 0.000) 0.474 6.945 ( 0.474 0.000 0.000) 0.474 7.122 ( -0.133 0.000 0.000) 0.133 7.122 ( 0.133 0.000 0.000) 0.133 7.182 ( -2.191 0.000 0.000) 2.191 7.182 ( 2.191 0.000 0.000) 2.191 7.375 ( -1.094 0.000 0.000) 1.094 7.375 ( 1.094 0.000 0.000) 1.094 8.134 ( -3.557 0.000 0.000) 3.557 8.134 ( 3.557 0.000 0.000) 3.557 8.465 ( -2.511 0.000 0.000) 2.511 8.465 ( 2.511 0.000 0.000) 2.511 8.502 ( -6.677 0.000 0.000) 6.677 8.502 ( 6.677 0.000 0.000) 6.677 8.667 ( -0.422 0.000 0.000) 0.422 8.667 ( 0.422 0.000 0.000) 0.422 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 0.000 12.745 0.000) 12.745 0.332 ( 0.000 14.860 0.000) 14.860 0.522 ( 0.000 -10.162 0.000) 10.162 0.594 ( 0.000 26.300 0.000) 26.300 0.603 ( 0.000 -10.148 0.000) 10.148 1.063 ( 0.000 -16.856 0.000) 16.856 1.089 ( 0.000 3.752 0.000) 3.752 1.155 ( 0.000 -1.873 0.000) 1.873 1.544 ( 0.000 4.148 0.000) 4.148 1.713 ( 0.000 -9.989 0.000) 9.989 1.746 ( 0.000 2.941 0.000) 2.941 1.802 ( 0.000 -3.904 0.000) 3.904 1.829 ( 0.000 8.126 0.000) 8.126 1.957 ( 0.000 4.050 0.000) 4.050 2.001 ( 0.000 -5.567 0.000) 5.567 2.015 ( 0.000 6.271 0.000) 6.271 2.019 ( 0.000 -2.582 0.000) 2.582 2.188 ( 0.000 8.686 0.000) 8.686 2.205 ( 0.000 -8.675 0.000) 8.675 2.332 ( 0.000 2.870 0.000) 2.870 2.350 ( 0.000 -6.415 0.000) 6.415 2.404 ( 0.000 -3.140 0.000) 3.140 2.619 ( 0.000 2.412 0.000) 2.412 2.632 ( 0.000 4.036 0.000) 4.036 2.676 ( 0.000 3.469 0.000) 3.469 2.874 ( 0.000 -10.351 0.000) 10.351 3.017 ( 0.000 12.014 0.000) 12.014 3.052 ( 0.000 1.065 0.000) 1.065 3.073 ( 0.000 -0.936 0.000) 0.936 3.301 ( 0.000 -13.356 0.000) 13.356 3.454 ( 0.000 1.326 0.000) 1.326 3.466 ( 0.000 -0.214 0.000) 0.214 3.788 ( 0.000 4.595 0.000) 4.595 3.917 ( 0.000 -6.006 0.000) 6.006 3.952 ( 0.000 9.877 0.000) 9.877 4.032 ( 0.000 8.879 0.000) 8.879 4.157 ( 0.000 -8.195 0.000) 8.195 4.159 ( 0.000 5.063 0.000) 5.063 4.198 ( 0.000 -6.188 0.000) 6.188 4.256 ( 0.000 -3.343 0.000) 3.343 4.561 ( 0.000 1.555 0.000) 1.555 4.599 ( 0.000 -1.909 0.000) 1.909 4.660 ( 0.000 0.726 0.000) 0.726 4.669 ( 0.000 -0.228 0.000) 0.228 4.785 ( 0.000 2.311 0.000) 2.311 4.834 ( 0.000 -1.933 0.000) 1.933 5.665 ( 0.000 0.680 0.000) 0.680 5.681 ( 0.000 -0.668 0.000) 0.668 5.720 ( 0.000 1.930 0.000) 1.930 5.757 ( 0.000 -1.244 0.000) 1.244 5.992 ( 0.000 0.200 0.000) 0.200 5.997 ( 0.000 -0.213 0.000) 0.213 6.025 ( 0.000 1.333 0.000) 1.333 6.062 ( 0.000 -1.850 0.000) 1.850 6.308 ( 0.000 0.969 0.000) 0.969 6.328 ( 0.000 -0.748 0.000) 0.748 6.571 ( 0.000 0.279 0.000) 0.279 6.578 ( 0.000 -0.295 0.000) 0.295 7.222 ( 0.000 0.519 0.000) 0.519 7.234 ( 0.000 -0.510 0.000) 0.510 7.269 ( 0.000 0.516 0.000) 0.516 7.282 ( 0.000 -0.588 0.000) 0.588 7.780 ( 0.000 0.017 0.000) 0.017 7.781 ( 0.000 -0.021 0.000) 0.021 7.873 ( 0.000 1.772 0.000) 1.772 7.894 ( 0.000 1.754 0.000) 1.754 7.913 ( 0.000 -1.668 0.000) 1.668 7.935 ( 0.000 -1.739 0.000) 1.739 8.765 ( 0.000 1.890 0.000) 1.890 8.819 ( 0.000 -3.025 0.000) 3.025 8.956 ( 0.000 2.578 0.000) 2.578 8.999 ( 0.000 -1.437 0.000) 1.437 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 7.834 9.399 0.000) 12.236 0.455 ( 9.524 8.669 0.000) 12.879 0.598 ( 6.905 -8.706 0.000) 11.112 0.651 ( 5.717 -4.372 0.000) 7.197 0.706 ( 8.974 15.247 0.000) 17.692 1.015 ( -1.123 -5.855 0.000) 5.962 1.175 ( 5.022 -4.100 0.000) 6.483 1.193 ( 3.041 -1.856 0.000) 3.563 1.659 ( 6.338 1.577 0.000) 6.531 1.758 ( 2.534 2.747 0.000) 3.737 1.766 ( 3.173 -6.435 0.000) 7.175 1.842 ( 4.108 -5.916 0.000) 7.202 1.873 ( -0.274 5.778 0.000) 5.784 1.902 ( -2.223 0.009 0.000) 2.223 1.917 ( -4.747 -0.716 0.000) 4.800 2.033 ( -1.466 -7.378 0.000) 7.523 2.049 ( 4.177 8.097 0.000) 9.111 2.194 ( 0.469 7.465 0.000) 7.479 2.223 ( 2.368 -6.726 0.000) 7.131 2.337 ( 0.372 6.209 0.000) 6.220 2.347 ( -1.269 -6.254 0.000) 6.382 2.444 ( 3.667 -4.481 0.000) 5.790 2.635 ( 0.417 2.325 0.000) 2.362 2.636 ( 1.433 1.603 0.000) 2.150 2.707 ( 2.915 2.858 0.000) 4.082 2.874 ( -0.029 -10.113 0.000) 10.113 3.023 ( -0.140 9.852 0.000) 9.853 3.025 ( -2.583 1.268 0.000) 2.877 3.056 ( -1.361 -0.112 0.000) 1.366 3.275 ( -2.787 -10.186 0.000) 10.561 3.468 ( 0.864 0.801 0.000) 1.179 3.471 ( -0.850 0.109 0.000) 0.857 3.727 ( -5.612 3.634 0.000) 6.685 3.800 ( -8.345 -1.538 0.000) 8.486 3.844 ( -8.704 6.479 0.000) 10.851 3.900 ( -11.047 3.344 0.000) 11.542 4.169 ( 2.557 -3.656 0.000) 4.461 4.185 ( 1.681 3.178 0.000) 3.596 4.199 ( -0.062 -4.095 0.000) 4.096 4.260 ( 0.284 -2.868 0.000) 2.882 4.603 ( -0.953 0.616 0.000) 1.135 4.628 ( -0.419 -1.389 0.000) 1.451 4.661 ( 4.878 3.446 0.000) 5.973 4.745 ( 5.979 -3.581 0.000) 6.969 4.866 ( 7.565 2.319 0.000) 7.912 4.930 ( 6.899 -2.510 0.000) 7.342 5.400 ( -16.051 12.559 0.000) 20.380 5.559 ( -12.227 -4.025 0.000) 12.872 5.717 ( -0.329 -0.346 0.000) 0.478 5.719 ( -1.205 -0.340 0.000) 1.252 5.996 ( 0.270 -0.098 0.000) 0.287 5.998 ( 0.141 -0.309 0.000) 0.339 6.026 ( 0.238 1.168 0.000) 1.192 6.050 ( -0.492 -0.907 0.000) 1.032 6.204 ( -5.322 4.346 0.000) 6.871 6.255 ( -3.866 -0.998 0.000) 3.993 6.678 ( 7.575 1.548 0.000) 7.731 6.735 ( 7.508 -4.169 0.000) 8.588 7.205 ( -1.625 0.640 0.000) 1.746 7.219 ( -1.442 -0.595 0.000) 1.560 7.273 ( 0.192 0.468 0.000) 0.506 7.281 ( -0.517 0.026 0.000) 0.518 7.429 ( -10.318 11.401 0.000) 15.377 7.596 ( -9.972 -4.656 0.000) 11.005 7.924 ( 2.859 2.167 0.000) 3.588 7.978 ( 4.060 -2.570 0.000) 4.805 8.094 ( 9.705 3.767 0.000) 10.410 8.229 ( 11.694 -9.823 0.000) 15.272 8.744 ( -2.042 1.638 0.000) 2.618 8.788 ( -2.879 -2.383 0.000) 3.737 8.875 ( -8.082 2.312 0.000) 8.406 8.879 ( -6.639 1.185 0.000) 6.744 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 8.265 5.228 0.000) 9.780 0.636 ( 7.715 -0.367 0.000) 7.724 0.765 ( 8.746 -4.594 0.000) 9.879 0.781 ( 6.490 -3.093 0.000) 7.189 0.916 ( 10.297 7.936 0.000) 13.000 1.034 ( 2.706 -1.088 0.000) 2.916 1.264 ( 3.782 -0.920 0.000) 3.893 1.273 ( 4.582 -2.555 0.000) 5.246 1.707 ( 0.596 2.472 0.000) 2.543 1.754 ( -6.366 2.881 0.000) 6.988 1.765 ( -2.369 -2.416 0.000) 3.383 1.805 ( -5.968 -1.787 0.000) 6.230 1.891 ( 3.783 1.429 0.000) 4.044 1.944 ( 6.607 2.412 0.000) 7.033 1.973 ( 2.433 -5.572 0.000) 6.080 2.018 ( 5.224 -3.737 0.000) 6.423 2.150 ( 3.860 3.798 0.000) 5.415 2.175 ( -1.842 1.956 0.000) 2.687 2.317 ( 5.106 0.320 0.000) 5.116 2.337 ( 2.402 -2.283 0.000) 3.314 2.354 ( 2.622 6.745 0.000) 7.236 2.513 ( 2.740 -6.712 0.000) 7.250 2.657 ( 1.853 1.620 0.000) 2.461 2.671 ( 1.835 0.556 0.000) 1.917 2.775 ( 3.404 0.345 0.000) 3.421 2.874 ( 0.018 -8.391 0.000) 8.391 2.950 ( -4.813 1.544 0.000) 5.054 2.979 ( -3.775 -0.230 0.000) 3.782 3.039 ( -0.612 4.933 0.000) 4.971 3.184 ( -5.833 -6.007 0.000) 8.373 3.399 ( -7.050 1.124 0.000) 7.139 3.436 ( -5.991 -1.803 0.000) 6.257 3.601 ( -5.862 3.422 0.000) 6.788 3.653 ( -4.880 0.505 0.000) 4.906 3.677 ( -6.196 4.812 0.000) 7.845 3.685 ( -10.022 4.024 0.000) 10.800 4.196 ( -0.089 -1.226 0.000) 1.229 4.201 ( 0.788 1.092 0.000) 1.346 4.234 ( 2.596 -3.639 0.000) 4.470 4.270 ( 0.691 -2.708 0.000) 2.795 4.578 ( -0.553 1.671 0.000) 1.760 4.621 ( -0.294 -1.810 0.000) 1.833 4.772 ( 3.828 2.457 0.000) 4.548 4.789 ( -0.919 2.264 0.000) 2.444 5.029 ( 7.251 -1.135 0.000) 7.339 5.059 ( 5.429 -2.505 0.000) 5.979 5.208 ( -3.445 5.754 0.000) 6.707 5.313 ( -9.800 -3.665 0.000) 10.463 5.702 ( -0.644 0.021 0.000) 0.645 5.708 ( -0.509 -0.612 0.000) 0.796 6.003 ( 0.252 -0.225 0.000) 0.338 6.003 ( 0.476 -0.274 0.000) 0.549 6.033 ( 0.394 0.899 0.000) 0.982 6.047 ( 0.045 -0.287 0.000) 0.290 6.119 ( -3.458 3.439 0.000) 4.877 6.174 ( -3.940 -1.620 0.000) 4.260 6.815 ( 5.691 1.197 0.000) 5.816 6.848 ( 4.326 -1.835 0.000) 4.699 7.166 ( -1.979 0.712 0.000) 2.103 7.181 ( -2.189 -0.642 0.000) 2.281 7.243 ( -2.586 3.603 0.000) 4.435 7.268 ( -0.871 0.162 0.000) 0.886 7.348 ( -0.293 2.809 0.000) 2.824 7.442 ( -5.113 -4.276 0.000) 6.665 7.998 ( 4.116 2.845 0.000) 5.003 8.074 ( 4.750 -4.014 0.000) 6.219 8.254 ( 6.428 4.981 0.000) 8.132 8.368 ( 3.666 -5.287 0.000) 6.434 8.684 ( -3.951 0.799 0.000) 4.031 8.699 ( -6.561 -0.478 0.000) 6.579 8.746 ( -4.516 0.223 0.000) 4.521 8.750 ( -4.439 -0.221 0.000) 4.445 ======================= Grid point 12 (9/50) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 6.256 0.218 0.000) 6.260 0.753 ( 3.745 -4.345 0.000) 5.736 0.897 ( 4.820 0.222 0.000) 4.825 0.912 ( 5.153 -2.040 0.000) 5.542 1.077 ( 5.256 3.464 0.000) 6.295 1.098 ( 2.928 2.175 0.000) 3.647 1.336 ( 3.149 0.433 0.000) 3.179 1.352 ( 2.939 -0.978 0.000) 3.097 1.646 ( -3.670 0.746 0.000) 3.745 1.677 ( -4.818 -1.992 0.000) 5.214 1.713 ( -0.251 0.370 0.000) 0.447 1.724 ( -2.376 -0.079 0.000) 2.377 1.905 ( -0.151 0.444 0.000) 0.469 1.942 ( -2.153 -2.794 0.000) 3.527 2.062 ( 1.841 6.788 0.000) 7.034 2.125 ( -1.594 3.636 0.000) 3.970 2.218 ( 9.278 -3.195 0.000) 9.813 2.248 ( 7.621 -4.120 0.000) 8.663 2.373 ( 3.121 5.205 0.000) 6.069 2.447 ( 5.691 1.711 0.000) 5.942 2.476 ( 6.366 1.427 0.000) 6.524 2.558 ( 2.207 -7.649 0.000) 7.961 2.694 ( -0.174 0.794 0.000) 0.813 2.710 ( 3.476 1.226 0.000) 3.685 2.815 ( -1.118 -2.552 0.000) 2.786 2.835 ( -3.881 0.233 0.000) 3.888 2.888 ( 0.123 -4.188 0.000) 4.190 2.906 ( -1.713 -2.800 0.000) 3.283 3.025 ( -0.695 2.217 0.000) 2.323 3.075 ( -4.440 -1.570 0.000) 4.709 3.212 ( -9.648 -0.123 0.000) 9.649 3.243 ( -10.891 -2.236 0.000) 11.119 3.477 ( -5.943 5.142 0.000) 7.859 3.502 ( -7.650 5.672 0.000) 9.523 3.611 ( -0.302 0.243 0.000) 0.387 3.622 ( -0.680 1.414 0.000) 1.569 4.199 ( 0.367 0.795 0.000) 0.876 4.209 ( 0.061 1.585 0.000) 1.586 4.274 ( 1.372 -3.508 0.000) 3.767 4.284 ( 0.578 -2.592 0.000) 2.656 4.579 ( 0.540 1.797 0.000) 1.877 4.612 ( -0.675 -0.690 0.000) 0.965 4.755 ( -1.450 1.222 0.000) 1.896 4.785 ( -1.800 -1.183 0.000) 2.154 5.139 ( 3.509 -1.003 0.000) 3.650 5.141 ( 2.723 -1.300 0.000) 3.017 5.194 ( 0.543 1.218 0.000) 1.333 5.207 ( -1.333 0.152 0.000) 1.342 5.693 ( -0.271 -0.048 0.000) 0.275 5.698 ( -0.448 -0.588 0.000) 0.739 6.008 ( 0.294 0.171 0.000) 0.340 6.014 ( 0.500 -0.304 0.000) 0.585 6.040 ( 0.274 0.675 0.000) 0.729 6.048 ( 0.018 -0.070 0.000) 0.073 6.066 ( -1.634 1.987 0.000) 2.573 6.104 ( -2.937 -1.268 0.000) 3.199 6.906 ( 3.396 0.510 0.000) 3.434 6.918 ( 2.612 -0.517 0.000) 2.663 7.134 ( -1.177 0.010 0.000) 1.177 7.139 ( -1.742 -0.352 0.000) 1.777 7.202 ( -1.309 2.797 0.000) 3.088 7.235 ( -2.187 -0.186 0.000) 2.195 7.355 ( 0.608 0.423 0.000) 0.741 7.383 ( -1.348 -1.870 0.000) 2.305 8.079 ( 3.723 2.497 0.000) 4.483 8.143 ( 1.703 -2.991 0.000) 3.442 8.362 ( 4.377 1.663 0.000) 4.682 8.410 ( 0.998 -2.324 0.000) 2.529 8.573 ( -4.705 1.521 0.000) 4.945 8.601 ( -3.873 -0.934 0.000) 3.984 8.684 ( -1.896 0.167 0.000) 1.904 8.690 ( -1.999 -0.310 0.000) 2.023 ======================= Grid point 13 (10/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.534 -3.661 0.000) 3.969 0.777 ( 1.534 -3.661 0.000) 3.969 0.957 ( -0.660 0.181 0.000) 0.684 0.957 ( 0.660 0.181 0.000) 0.684 1.129 ( -0.230 3.231 0.000) 3.239 1.129 ( 0.230 3.231 0.000) 3.239 1.376 ( -0.574 -0.031 0.000) 0.575 1.376 ( 0.574 -0.031 0.000) 0.575 1.619 ( -0.909 -1.047 0.000) 1.387 1.619 ( 0.909 -1.047 0.000) 1.387 1.699 ( -0.269 0.205 0.000) 0.338 1.699 ( 0.269 0.205 0.000) 0.338 1.910 ( -0.913 -1.017 0.000) 1.367 1.910 ( 0.913 -1.017 0.000) 1.367 2.089 ( -1.649 5.054 0.000) 5.316 2.089 ( 1.649 5.054 0.000) 5.316 2.335 ( -0.831 -3.938 0.000) 4.025 2.335 ( 0.831 -3.938 0.000) 4.025 2.470 ( -4.436 3.693 0.000) 5.772 2.470 ( 4.436 3.693 0.000) 5.772 2.565 ( -2.600 -0.490 0.000) 2.646 2.565 ( 2.600 -0.490 0.000) 2.646 2.708 ( -4.453 -5.253 0.000) 6.887 2.708 ( 4.453 -5.253 0.000) 6.887 2.802 ( -2.091 2.862 0.000) 3.544 2.802 ( 2.091 2.862 0.000) 3.544 2.910 ( -0.950 -3.812 0.000) 3.929 2.910 ( 0.950 -3.812 0.000) 3.929 3.011 ( -0.626 2.479 0.000) 2.557 3.011 ( 0.626 2.479 0.000) 2.557 3.100 ( -0.570 -3.763 0.000) 3.806 3.100 ( 0.570 -3.763 0.000) 3.806 3.412 ( -0.498 6.015 0.000) 6.035 3.412 ( 0.498 6.015 0.000) 6.035 3.614 ( -0.330 0.109 0.000) 0.348 3.614 ( 0.330 0.109 0.000) 0.348 4.206 ( -0.259 1.581 0.000) 1.602 4.206 ( 0.259 1.581 0.000) 1.602 4.289 ( -0.158 -2.725 0.000) 2.729 4.289 ( 0.158 -2.725 0.000) 2.729 4.595 ( -0.908 0.813 0.000) 1.219 4.595 ( 0.908 0.813 0.000) 1.219 4.749 ( -0.982 -1.068 0.000) 1.451 4.749 ( 0.982 -1.068 0.000) 1.451 5.171 ( -0.163 -0.146 0.000) 0.219 5.171 ( 0.163 -0.146 0.000) 0.219 5.203 ( -0.098 0.248 0.000) 0.267 5.203 ( 0.098 0.248 0.000) 0.267 5.692 ( -0.154 -0.342 0.000) 0.376 5.692 ( 0.154 -0.342 0.000) 0.376 6.015 ( -0.370 0.456 0.000) 0.587 6.015 ( 0.370 0.456 0.000) 0.587 6.046 ( -0.273 0.223 0.000) 0.352 6.046 ( 0.273 0.223 0.000) 0.352 6.061 ( -1.138 -0.225 0.000) 1.160 6.061 ( 1.138 -0.225 0.000) 1.160 6.945 ( -0.238 0.002 0.000) 0.238 6.945 ( 0.238 0.002 0.000) 0.238 7.120 ( -0.022 -0.104 0.000) 0.106 7.120 ( 0.022 -0.104 0.000) 0.106 7.199 ( -1.009 0.979 0.000) 1.406 7.199 ( 1.009 0.979 0.000) 1.406 7.367 ( -0.553 -0.523 0.000) 0.761 7.367 ( 0.553 -0.523 0.000) 0.761 8.138 ( -1.925 0.256 0.000) 1.942 8.138 ( 1.925 0.256 0.000) 1.942 8.416 ( -0.701 -1.963 0.000) 2.084 8.416 ( 0.701 -1.963 0.000) 2.084 8.540 ( -1.532 1.359 0.000) 2.048 8.540 ( 1.532 1.359 0.000) 2.048 8.667 ( -0.212 -0.005 0.000) 0.212 8.667 ( 0.212 -0.005 0.000) 0.212 ======================= Grid point 27 (11/50) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 16.212) 16.212 0.338 ( 0.000 0.000 16.055) 16.055 0.599 ( 0.000 0.000 22.623) 22.623 0.694 ( 0.000 0.000 10.559) 10.559 0.872 ( 0.000 0.000 13.573) 13.573 1.083 ( 0.000 0.000 4.371) 4.371 1.114 ( 0.000 0.000 -10.322) 10.322 1.170 ( 0.000 0.000 0.545) 0.545 1.571 ( 0.000 0.000 2.438) 2.438 1.693 ( 0.000 0.000 3.140) 3.140 1.823 ( 0.000 0.000 5.109) 5.109 1.861 ( 0.000 0.000 -2.767) 2.767 1.878 ( 0.000 0.000 -2.580) 2.580 1.931 ( 0.000 0.000 1.584) 1.584 1.951 ( 0.000 0.000 -2.851) 2.851 2.059 ( 0.000 0.000 2.849) 2.849 2.108 ( 0.000 0.000 5.523) 5.523 2.128 ( 0.000 0.000 7.267) 7.267 2.261 ( 0.000 0.000 -0.500) 0.500 2.322 ( 0.000 0.000 -1.006) 1.006 2.427 ( 0.000 0.000 -0.932) 0.932 2.442 ( 0.000 0.000 0.288) 0.288 2.580 ( 0.000 0.000 -3.936) 3.936 2.596 ( 0.000 0.000 1.732) 1.732 2.734 ( 0.000 0.000 -5.714) 5.714 2.827 ( 0.000 0.000 -3.759) 3.759 3.002 ( 0.000 0.000 -0.889) 0.889 3.092 ( 0.000 0.000 4.109) 4.109 3.135 ( 0.000 0.000 5.075) 5.075 3.303 ( 0.000 0.000 -9.060) 9.060 3.355 ( 0.000 0.000 -2.089) 2.089 3.510 ( 0.000 0.000 -1.176) 1.176 3.541 ( 0.000 0.000 -14.492) 14.492 3.713 ( 0.000 0.000 -8.628) 8.628 3.893 ( 0.000 0.000 -4.240) 4.240 4.028 ( 0.000 0.000 5.612) 5.612 4.052 ( 0.000 0.000 -13.324) 13.324 4.085 ( 0.000 0.000 -0.384) 0.384 4.279 ( 0.000 0.000 0.430) 0.430 4.420 ( 0.000 0.000 3.966) 3.966 4.615 ( 0.000 0.000 -0.540) 0.540 4.660 ( 0.000 0.000 -0.695) 0.695 4.728 ( 0.000 0.000 7.699) 7.699 4.733 ( 0.000 0.000 -1.677) 1.677 4.945 ( 0.000 0.000 7.111) 7.111 4.961 ( 0.000 0.000 4.187) 4.187 5.064 ( 0.000 0.000 6.400) 6.400 5.495 ( 0.000 0.000 -11.216) 11.216 5.849 ( 0.000 0.000 4.065) 4.065 5.893 ( 0.000 0.000 0.539) 0.539 5.998 ( 0.000 0.000 0.824) 0.824 6.005 ( 0.000 0.000 0.539) 0.539 6.017 ( 0.000 0.000 0.580) 0.580 6.054 ( 0.000 0.000 -2.140) 2.140 6.135 ( 0.000 0.000 -0.497) 0.497 6.289 ( 0.000 0.000 -0.707) 0.707 6.680 ( 0.000 0.000 8.461) 8.461 7.136 ( 0.000 0.000 -3.298) 3.298 7.227 ( 0.000 0.000 1.089) 1.089 7.253 ( 0.000 0.000 1.250) 1.250 7.263 ( 0.000 0.000 -2.513) 2.513 7.306 ( 0.000 0.000 2.758) 2.758 7.412 ( 0.000 0.000 -3.524) 3.524 7.686 ( 0.000 0.000 -6.178) 6.178 7.860 ( 0.000 0.000 0.904) 0.904 7.951 ( 0.000 0.000 1.951) 1.951 7.960 ( 0.000 0.000 5.220) 5.220 8.453 ( 0.000 0.000 1.666) 1.666 8.558 ( 0.000 0.000 -4.577) 4.577 8.755 ( 0.000 0.000 0.483) 0.483 8.854 ( 0.000 0.000 -2.092) 2.092 8.872 ( 0.000 0.000 -3.234) 3.234 ======================= Grid point 28 (12/50) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 6.393 0.000 11.261) 12.950 0.393 ( 6.833 0.000 12.659) 14.385 0.696 ( 7.191 0.000 9.670) 12.050 0.768 ( 6.176 0.000 9.590) 11.406 0.930 ( 5.419 0.000 16.298) 17.175 1.039 ( -1.954 0.000 1.155) 2.270 1.169 ( 3.766 0.000 -7.275) 8.192 1.222 ( 4.104 0.000 1.459) 4.356 1.644 ( 3.987 0.000 -4.892) 6.310 1.680 ( -0.934 0.000 1.869) 2.089 1.821 ( 0.573 0.000 1.638) 1.735 1.846 ( -2.123 0.000 -1.083) 2.383 1.901 ( 1.421 0.000 -2.393) 2.784 1.936 ( -4.366 0.000 1.710) 4.689 1.972 ( 4.091 0.000 2.729) 4.917 2.022 ( 1.240 0.000 1.450) 1.908 2.059 ( -2.476 0.000 2.181) 3.300 2.181 ( 2.009 0.000 2.685) 3.353 2.255 ( -1.696 0.000 2.021) 2.638 2.303 ( -0.613 0.000 0.124) 0.625 2.450 ( -0.088 0.000 3.215) 3.216 2.497 ( 6.368 0.000 -2.348) 6.787 2.572 ( 1.130 0.000 -2.078) 2.366 2.606 ( 0.375 0.000 -0.189) 0.420 2.727 ( 0.006 0.000 -2.520) 2.520 2.848 ( 1.822 0.000 -3.747) 4.166 2.992 ( -1.224 0.000 -1.797) 2.174 3.062 ( -2.393 0.000 4.456) 5.058 3.136 ( -0.209 0.000 6.004) 6.007 3.286 ( -1.764 0.000 -7.605) 7.807 3.362 ( -0.696 0.000 -4.201) 4.259 3.447 ( -7.985 0.000 -13.911) 16.039 3.478 ( -2.824 0.000 -2.978) 4.104 3.619 ( -5.951 0.000 -6.833) 9.061 3.859 ( -3.179 0.000 0.697) 3.255 3.992 ( -2.845 0.000 4.488) 5.313 4.143 ( 3.617 0.000 -0.555) 3.659 4.151 ( 5.681 0.000 -7.404) 9.333 4.262 ( -1.582 0.000 0.852) 1.797 4.402 ( -1.534 0.000 3.719) 4.023 4.610 ( -0.456 0.000 1.211) 1.294 4.634 ( -2.951 0.000 6.280) 6.939 4.671 ( -0.279 0.000 2.031) 2.050 4.733 ( -0.252 0.000 -1.283) 1.308 4.894 ( 1.047 0.000 -0.751) 1.289 5.069 ( 5.358 0.000 4.982) 7.316 5.098 ( 1.500 0.000 3.236) 3.567 5.456 ( -4.872 0.000 -9.757) 10.906 5.738 ( -3.360 0.000 5.570) 6.505 5.909 ( -1.700 0.000 4.908) 5.194 6.001 ( 0.254 0.000 0.640) 0.689 6.008 ( 0.225 0.000 0.505) 0.553 6.017 ( 0.197 0.000 0.586) 0.618 6.108 ( -2.302 0.000 -0.717) 2.411 6.123 ( 1.317 0.000 1.332) 1.873 6.270 ( -2.012 0.000 0.310) 2.036 6.608 ( -1.451 0.000 4.232) 4.474 7.119 ( -7.203 0.000 11.144) 13.269 7.121 ( -1.329 0.000 -3.597) 3.835 7.217 ( -1.174 0.000 1.233) 1.702 7.263 ( -0.153 0.000 -3.621) 3.624 7.274 ( -3.018 0.000 5.827) 6.562 7.307 ( 0.086 0.000 2.595) 2.596 7.620 ( -5.172 0.000 -2.224) 5.630 7.919 ( 0.850 0.000 1.998) 2.172 7.966 ( 7.010 0.000 -4.012) 8.077 8.068 ( 5.371 0.000 1.641) 5.616 8.453 ( 0.004 0.000 1.668) 1.668 8.592 ( 0.218 0.000 -10.196) 10.198 8.728 ( -1.975 0.000 -0.987) 2.208 8.819 ( -5.039 0.000 -2.727) 5.729 8.867 ( -1.087 0.000 -0.662) 1.273 ======================= Grid point 29 (13/50) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 9.656 0.000 7.515) 12.236 0.575 ( 11.664 0.000 1.295) 11.736 0.851 ( 7.828 0.000 3.799) 8.701 0.896 ( 6.177 0.000 5.001) 7.948 1.021 ( -0.208 0.000 1.039) 1.059 1.048 ( 4.936 0.000 14.019) 14.862 1.248 ( 4.010 0.000 -4.005) 5.667 1.308 ( 3.998 0.000 0.695) 4.058 1.665 ( -1.970 0.000 -4.606) 5.010 1.672 ( 0.158 0.000 -0.784) 0.800 1.823 ( -0.024 0.000 -0.337) 0.338 1.835 ( -3.407 0.000 2.982) 4.528 1.867 ( 2.450 0.000 -1.208) 2.731 1.892 ( -2.881 0.000 -1.635) 3.312 1.979 ( 0.595 0.000 -1.856) 1.949 2.028 ( -1.687 0.000 -1.988) 2.607 2.113 ( 2.470 0.000 0.715) 2.572 2.194 ( -0.292 0.000 -1.560) 1.587 2.244 ( 3.611 0.000 3.656) 5.139 2.347 ( 4.248 0.000 1.144) 4.399 2.445 ( 0.672 0.000 3.463) 3.527 2.614 ( 1.055 0.000 -1.342) 1.707 2.623 ( 5.185 0.000 -0.206) 5.189 2.646 ( 4.813 0.000 2.014) 5.217 2.721 ( -1.273 0.000 -5.719) 5.859 2.874 ( -0.270 0.000 -5.823) 5.829 2.948 ( -2.859 0.000 -3.257) 4.334 3.013 ( -2.097 0.000 4.686) 5.134 3.125 ( -0.911 0.000 7.036) 7.095 3.215 ( -4.908 0.000 -1.559) 5.150 3.276 ( -6.289 0.000 -10.539) 12.273 3.289 ( -6.282 0.000 -8.812) 10.822 3.452 ( 0.156 0.000 -2.106) 2.112 3.559 ( -0.483 0.000 -1.408) 1.489 3.763 ( -6.298 0.000 5.316) 8.241 3.862 ( -9.674 0.000 13.627) 16.712 4.192 ( 1.268 0.000 0.908) 1.560 4.227 ( -1.508 0.000 0.987) 1.802 4.246 ( 3.489 0.000 -3.847) 5.194 4.374 ( -1.152 0.000 2.360) 2.626 4.589 ( -1.386 0.000 3.016) 3.319 4.652 ( -0.930 0.000 2.723) 2.877 4.665 ( 4.365 0.000 -3.616) 5.668 4.729 ( -0.113 0.000 -1.588) 1.592 4.983 ( 6.214 0.000 -5.718) 8.444 5.096 ( -1.733 0.000 -3.265) 3.697 5.156 ( 3.173 0.000 2.587) 4.094 5.328 ( -6.287 0.000 -1.674) 6.506 5.719 ( 0.434 0.000 4.123) 4.145 5.856 ( -2.967 0.000 8.123) 8.648 6.004 ( -0.119 0.000 -0.060) 0.133 6.013 ( 0.320 0.000 0.556) 0.642 6.025 ( 0.622 0.000 0.644) 0.895 6.063 ( -1.699 0.000 -0.159) 1.706 6.100 ( -1.805 0.000 4.314) 4.676 6.211 ( -3.612 0.000 1.429) 3.885 6.683 ( 6.555 0.000 -4.392) 7.890 7.051 ( -1.337 0.000 9.731) 9.822 7.093 ( -1.154 0.000 -4.398) 4.546 7.181 ( -2.390 0.000 0.533) 2.449 7.221 ( -2.393 0.000 3.021) 3.854 7.237 ( -2.720 0.000 -5.415) 6.059 7.321 ( 1.575 0.000 1.967) 2.520 7.526 ( -3.707 0.000 2.160) 4.290 7.966 ( 3.362 0.000 0.214) 3.369 8.128 ( 8.717 0.000 -4.123) 9.643 8.148 ( 2.433 0.000 -0.308) 2.452 8.453 ( 0.006 0.000 1.698) 1.698 8.570 ( -1.899 0.000 -9.183) 9.377 8.686 ( -1.977 0.000 -1.361) 2.400 8.689 ( -7.233 0.000 -1.376) 7.363 8.809 ( -4.002 0.000 0.862) 4.094 ======================= Grid point 30 (14/50) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 9.192 0.000 3.937) 9.999 0.792 ( 9.569 0.000 0.725) 9.597 0.978 ( 3.448 0.000 3.503) 4.915 1.004 ( -2.178 0.000 0.795) 2.319 1.007 ( 4.714 0.000 3.336) 5.775 1.098 ( 0.136 0.000 6.273) 6.275 1.328 ( 3.745 0.000 -0.432) 3.770 1.374 ( 2.426 0.000 0.370) 2.454 1.625 ( -0.557 0.000 -0.861) 1.025 1.676 ( 0.219 0.000 -1.577) 1.592 1.753 ( -5.349 0.000 2.801) 6.038 1.766 ( -3.215 0.000 2.821) 4.278 1.905 ( 3.184 0.000 -3.288) 4.577 1.920 ( 1.256 0.000 -1.765) 2.166 1.977 ( -2.435 0.000 -2.530) 3.511 2.006 ( 0.267 0.000 -4.365) 4.373 2.136 ( 2.999 0.000 -2.181) 3.708 2.221 ( 4.694 0.000 -7.181) 8.579 2.338 ( 2.002 0.000 -3.184) 3.761 2.445 ( 4.558 0.000 0.363) 4.573 2.464 ( -0.402 0.000 -0.925) 1.008 2.604 ( -5.658 0.000 -4.390) 7.161 2.638 ( 1.279 0.000 -2.287) 2.620 2.719 ( -0.819 0.000 -3.402) 3.499 2.756 ( 4.751 0.000 -1.882) 5.110 2.843 ( 1.544 0.000 -3.313) 3.655 2.901 ( -2.037 0.000 -2.670) 3.358 2.988 ( 0.151 0.000 4.855) 4.857 3.088 ( -2.834 0.000 6.170) 6.790 3.118 ( -7.006 0.000 -1.629) 7.193 3.201 ( 1.930 0.000 1.508) 2.449 3.247 ( 2.818 0.000 3.281) 4.325 3.433 ( -3.529 0.000 3.203) 4.766 3.566 ( 0.703 0.000 -1.735) 1.872 3.633 ( -12.434 0.000 15.371) 19.770 3.635 ( -4.929 0.000 3.597) 6.102 4.200 ( 0.022 0.000 1.443) 1.443 4.212 ( -0.245 0.000 1.174) 1.200 4.298 ( 1.905 0.000 -1.218) 2.261 4.353 ( -1.074 0.000 1.169) 1.587 4.576 ( 0.278 0.000 2.095) 2.113 4.630 ( -1.437 0.000 1.919) 2.398 4.723 ( 0.459 0.000 -2.278) 2.323 4.741 ( 1.109 0.000 -4.740) 4.868 5.071 ( 0.877 0.000 -5.767) 5.834 5.100 ( 4.961 0.000 -4.789) 6.895 5.193 ( 0.436 0.000 -0.012) 0.436 5.225 ( -4.446 0.000 -0.235) 4.452 5.736 ( 1.155 0.000 4.628) 4.770 5.803 ( -2.286 0.000 7.796) 8.124 6.002 ( 0.144 0.000 -0.125) 0.191 6.018 ( -0.056 0.000 0.535) 0.538 6.040 ( 0.817 0.000 0.776) 1.127 6.047 ( 0.207 0.000 0.595) 0.630 6.073 ( -0.964 0.000 2.225) 2.425 6.136 ( -3.631 0.000 1.413) 3.897 6.818 ( 6.529 0.000 -3.852) 7.581 7.019 ( -2.628 0.000 4.946) 5.600 7.084 ( 0.355 0.000 -5.287) 5.299 7.139 ( -1.059 0.000 0.663) 1.249 7.169 ( -3.480 0.000 -5.961) 6.903 7.178 ( -1.959 0.000 2.423) 3.116 7.364 ( 2.485 0.000 1.907) 3.132 7.466 ( -2.558 0.000 3.358) 4.221 8.042 ( 3.998 0.000 -0.803) 4.078 8.164 ( -0.854 0.000 -1.442) 1.676 8.299 ( 7.962 0.000 -4.797) 9.295 8.455 ( 0.405 0.000 1.657) 1.706 8.521 ( -3.048 0.000 -7.602) 8.190 8.555 ( -5.520 0.000 0.278) 5.527 8.659 ( -0.561 0.000 -1.016) 1.161 8.727 ( -3.803 0.000 0.743) 3.875 ======================= Grid point 31 (15/50) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -6.310 0.000 1.750) 6.548 0.918 ( 6.310 0.000 1.750) 6.548 0.950 ( -5.655 0.000 3.546) 6.675 0.950 ( 5.655 0.000 3.546) 6.675 1.077 ( -2.118 0.000 1.951) 2.880 1.077 ( 2.118 0.000 1.951) 2.880 1.386 ( -1.520 0.000 0.601) 1.634 1.386 ( 1.520 0.000 0.601) 1.634 1.659 ( -3.617 0.000 2.114) 4.190 1.659 ( 3.617 0.000 2.114) 4.190 1.702 ( -2.679 0.000 -0.069) 2.680 1.702 ( 2.679 0.000 -0.069) 2.680 1.938 ( -1.376 0.000 -0.982) 1.690 1.938 ( 1.376 0.000 -0.982) 1.690 1.971 ( -2.970 0.000 -2.082) 3.627 1.971 ( 2.970 0.000 -2.082) 3.627 2.260 ( -7.682 0.000 -8.847) 11.717 2.260 ( 7.682 0.000 -8.847) 11.717 2.371 ( -8.215 0.000 -8.704) 11.968 2.371 ( 8.215 0.000 -8.704) 11.968 2.520 ( -3.203 0.000 -1.813) 3.681 2.520 ( 3.203 0.000 -1.813) 3.681 2.665 ( -1.807 0.000 -4.284) 4.650 2.665 ( 1.807 0.000 -4.284) 4.650 2.844 ( -3.682 0.000 -2.136) 4.257 2.844 ( 3.682 0.000 -2.136) 4.257 2.963 ( -7.744 0.000 0.007) 7.744 2.963 ( 7.744 0.000 0.007) 7.744 3.027 ( -3.009 0.000 6.792) 7.428 3.027 ( 3.009 0.000 6.792) 7.428 3.306 ( -7.266 0.000 7.772) 10.640 3.306 ( 7.266 0.000 7.772) 10.640 3.391 ( -10.693 0.000 11.803) 15.927 3.391 ( 10.693 0.000 11.803) 15.927 3.584 ( -1.201 0.000 -1.615) 2.013 3.584 ( 1.201 0.000 -1.615) 2.013 4.205 ( -0.387 0.000 1.464) 1.515 4.205 ( 0.387 0.000 1.464) 1.515 4.329 ( -1.325 0.000 0.151) 1.334 4.329 ( 1.325 0.000 0.151) 1.334 4.597 ( -1.607 0.000 1.592) 2.262 4.597 ( 1.607 0.000 1.592) 2.262 4.735 ( -0.900 0.000 -3.019) 3.150 4.735 ( 0.900 0.000 -3.019) 3.150 5.135 ( -4.459 0.000 -3.679) 5.781 5.135 ( 4.459 0.000 -3.679) 5.781 5.174 ( -2.305 0.000 -2.514) 3.411 5.174 ( 2.305 0.000 -2.514) 3.411 5.764 ( -1.636 0.000 6.141) 6.355 5.764 ( 1.636 0.000 6.141) 6.355 6.010 ( -0.535 0.000 0.441) 0.693 6.010 ( 0.535 0.000 0.441) 0.693 6.056 ( -0.778 0.000 1.173) 1.408 6.056 ( 0.778 0.000 1.173) 1.408 6.074 ( -2.346 0.000 0.860) 2.499 6.074 ( 2.346 0.000 0.860) 2.499 6.938 ( -5.217 0.000 -0.635) 5.256 6.938 ( 5.217 0.000 -0.635) 5.256 7.110 ( -2.239 0.000 -5.857) 6.270 7.110 ( 2.239 0.000 -5.857) 6.270 7.144 ( -1.244 0.000 2.150) 2.484 7.144 ( 1.244 0.000 2.150) 2.484 7.416 ( -2.554 0.000 2.741) 3.746 7.416 ( 2.554 0.000 2.741) 3.746 8.119 ( -3.351 0.000 -1.499) 3.671 8.119 ( 3.351 0.000 -1.499) 3.671 8.437 ( -5.548 0.000 -6.075) 8.227 8.437 ( 5.548 0.000 -6.075) 8.227 8.478 ( -2.185 0.000 1.334) 2.560 8.478 ( 2.185 0.000 1.334) 2.560 8.669 ( -1.719 0.000 -0.142) 1.725 8.669 ( 1.719 0.000 -0.142) 1.725 ======================= Grid point 36 (16/50) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 6.148 10.537) 12.200 0.461 ( 0.000 8.327 6.386) 10.493 0.607 ( 0.000 -3.699 8.537) 9.304 0.744 ( 0.000 -10.046 10.404) 14.463 0.801 ( 0.000 13.759 19.631) 23.973 1.045 ( 0.000 -7.392 1.026) 7.463 1.127 ( 0.000 3.381 3.518) 4.879 1.184 ( 0.000 -0.588 1.999) 2.084 1.569 ( 0.000 1.709 2.558) 3.076 1.695 ( 0.000 -9.182 -1.430) 9.293 1.772 ( 0.000 4.358 2.384) 4.968 1.835 ( 0.000 3.531 1.403) 3.800 1.839 ( 0.000 -3.571 1.984) 4.085 1.941 ( 0.000 -0.737 -0.910) 1.171 2.019 ( 0.000 3.526 1.284) 3.753 2.062 ( 0.000 0.557 3.918) 3.957 2.086 ( 0.000 -2.507 5.527) 6.069 2.178 ( 0.000 7.608 -0.837) 7.654 2.201 ( 0.000 -8.726 -0.126) 8.727 2.324 ( 0.000 1.597 -0.604) 1.707 2.347 ( 0.000 -4.705 -0.358) 4.719 2.408 ( 0.000 -3.142 0.499) 3.181 2.630 ( 0.000 2.011 1.038) 2.263 2.635 ( 0.000 2.844 -0.538) 2.895 2.731 ( 0.000 4.368 2.873) 5.228 2.909 ( 0.000 -8.637 2.076) 8.883 2.915 ( 0.000 7.872 -8.290) 11.432 3.064 ( 0.000 -4.902 -1.913) 5.262 3.096 ( 0.000 2.026 2.931) 3.563 3.210 ( 0.000 -8.112 -6.184) 10.201 3.422 ( 0.000 2.676 -3.825) 4.668 3.459 ( 0.000 -1.493 -1.109) 1.860 3.660 ( 0.000 8.110 -9.484) 12.478 3.797 ( 0.000 6.514 -12.089) 13.732 3.823 ( 0.000 -6.131 -6.570) 8.986 3.948 ( 0.000 -7.175 -13.449) 15.243 4.115 ( 0.000 6.859 4.697) 8.313 4.157 ( 0.000 5.521 0.050) 5.521 4.244 ( 0.000 -3.845 0.936) 3.957 4.286 ( 0.000 -7.089 3.925) 8.103 4.624 ( 0.000 0.834 -0.477) 0.961 4.648 ( 0.000 -1.313 -0.150) 1.322 4.744 ( 0.000 1.517 8.958) 9.085 4.772 ( 0.000 0.353 5.070) 5.082 4.878 ( 0.000 -0.207 12.467) 12.468 4.918 ( 0.000 -2.320 7.336) 7.694 5.341 ( 0.000 10.648 -14.910) 18.322 5.470 ( 0.000 -2.803 -12.607) 12.915 5.850 ( 0.000 0.196 4.200) 4.204 5.865 ( 0.000 -1.434 3.626) 3.900 6.000 ( 0.000 0.157 0.778) 0.794 6.004 ( 0.000 -0.135 0.633) 0.648 6.009 ( 0.000 0.570 -0.583) 0.815 6.036 ( 0.000 -1.482 -1.751) 2.294 6.213 ( 0.000 4.145 -3.380) 5.348 6.273 ( 0.000 -1.672 -2.026) 2.627 6.717 ( 0.000 3.763 10.353) 11.016 6.868 ( 0.000 -11.867 13.208) 17.756 7.236 ( 0.000 0.585 1.113) 1.258 7.248 ( 0.000 -0.462 1.289) 1.369 7.249 ( 0.000 -0.041 -1.441) 1.441 7.257 ( 0.000 -0.508 -2.388) 2.441 7.607 ( 0.000 5.718 -8.799) 10.494 7.672 ( 0.000 -1.419 -6.935) 7.079 7.885 ( 0.000 2.050 1.240) 2.396 7.930 ( 0.000 -1.855 1.758) 2.556 7.995 ( 0.000 3.393 6.039) 6.927 8.122 ( 0.000 -9.794 8.966) 13.278 8.747 ( 0.000 2.347 -2.334) 3.310 8.800 ( 0.000 -2.826 -1.907) 3.409 8.876 ( 0.000 5.520 -7.731) 9.499 8.908 ( 0.000 1.042 -4.317) 4.441 ======================= Grid point 37 (17/50) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 5.767 6.992 8.895) 12.699 0.508 ( 4.467 7.080 6.607) 10.665 0.658 ( 5.129 -6.516 6.210) 10.360 0.761 ( 3.581 -0.190 5.449) 6.523 0.905 ( 7.145 2.809 17.517) 19.126 1.029 ( -0.367 -3.107 2.516) 4.015 1.173 ( 3.504 0.818 0.385) 3.618 1.216 ( 2.832 -1.202 2.283) 3.831 1.600 ( 2.843 -1.226 -3.938) 5.009 1.738 ( 1.176 -1.109 -0.083) 1.618 1.754 ( 0.782 0.807 -0.664) 1.305 1.840 ( -0.757 0.796 -0.627) 1.265 1.906 ( 1.890 -1.673 3.104) 4.000 1.951 ( 1.059 -0.987 3.763) 4.032 1.997 ( -2.103 0.251 5.207) 5.622 2.024 ( 1.562 5.962 -1.608) 6.369 2.055 ( -1.919 -4.566 2.451) 5.526 2.176 ( -0.514 5.132 -1.377) 5.338 2.221 ( 1.898 -6.356 0.257) 6.638 2.317 ( -0.527 1.602 -0.569) 1.780 2.406 ( 4.054 -3.587 1.578) 5.639 2.449 ( 2.973 -1.600 2.390) 4.137 2.606 ( 0.341 2.233 -1.413) 2.664 2.665 ( 1.216 2.451 1.115) 2.955 2.737 ( 0.286 2.922 1.104) 3.137 2.895 ( -1.428 1.509 -5.700) 6.067 2.908 ( -0.742 -4.651 -1.507) 4.945 3.059 ( -0.217 -3.388 -0.417) 3.420 3.076 ( -2.072 2.032 2.287) 3.695 3.190 ( -2.008 -7.214 -6.421) 9.864 3.393 ( -3.593 2.379 -4.172) 5.998 3.450 ( -1.697 -0.387 -4.588) 4.907 3.584 ( -4.612 5.566 -8.549) 11.195 3.656 ( -5.881 0.454 -7.463) 9.512 3.901 ( -0.141 3.848 -1.103) 4.005 3.993 ( -0.176 -2.979 -2.548) 3.924 4.119 ( 2.074 1.780 0.085) 2.734 4.182 ( 2.039 3.497 0.025) 4.048 4.227 ( -1.460 -3.525 1.692) 4.174 4.293 ( 0.502 -5.820 3.038) 6.585 4.603 ( -1.362 -0.477 2.899) 3.239 4.643 ( -1.993 0.233 4.414) 4.849 4.670 ( -0.444 -0.072 1.927) 1.979 4.759 ( 0.665 1.236 -1.126) 1.799 4.942 ( 2.659 1.444 2.299) 3.799 5.029 ( 7.050 -1.547 9.206) 11.698 5.248 ( -6.607 8.725 -8.807) 14.048 5.415 ( -5.928 -3.681 -10.184) 12.345 5.733 ( -3.042 -0.256 5.543) 6.328 5.893 ( -1.767 -0.743 5.645) 5.962 6.001 ( -0.017 -0.108 0.534) 0.545 6.006 ( 0.352 -0.246 0.720) 0.839 6.012 ( 0.380 0.159 -0.057) 0.416 6.092 ( 1.298 -0.408 1.124) 1.765 6.194 ( -2.362 3.500 -2.071) 4.703 6.258 ( -1.796 -1.171 -0.091) 2.146 6.607 ( -1.741 -0.023 4.533) 4.856 6.957 ( 3.917 -4.387 9.524) 11.193 7.195 ( -3.362 0.671 -3.156) 4.659 7.225 ( -1.264 0.625 0.862) 1.653 7.242 ( -1.060 -0.788 0.426) 1.388 7.275 ( 0.852 -0.037 -1.072) 1.370 7.462 ( -8.544 8.249 2.091) 12.060 7.587 ( -5.993 -3.293 -1.192) 6.942 7.929 ( 1.887 0.807 0.842) 2.218 7.951 ( 5.174 -1.094 -2.362) 5.791 8.109 ( 7.212 3.938 1.583) 8.368 8.251 ( 7.635 -9.323 1.598) 12.156 8.717 ( -3.650 3.597 -4.109) 6.568 8.750 ( -4.303 1.386 -3.147) 5.509 8.782 ( -4.731 -1.955 -3.497) 6.199 8.898 ( -3.270 1.297 -1.463) 3.810 ======================= Grid point 38 (18/50) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 7.161 3.878 6.527) 10.436 0.635 ( 8.442 4.304 3.235) 10.013 0.778 ( 5.776 -6.583 4.671) 9.925 0.882 ( 7.566 -0.087 0.392) 7.576 1.031 ( 4.213 -0.695 12.546) 13.253 1.052 ( 2.997 1.542 2.399) 4.137 1.255 ( 4.475 0.357 -1.398) 4.702 1.280 ( 3.472 -1.676 1.361) 4.089 1.657 ( 1.328 0.146 -4.921) 5.099 1.725 ( -1.664 3.161 -1.718) 3.963 1.777 ( 0.196 -2.427 -1.396) 2.807 1.828 ( 1.645 0.600 -2.811) 3.312 1.841 ( -4.557 -0.742 3.863) 6.020 1.889 ( -3.823 -2.813 0.789) 4.811 2.012 ( -0.544 0.396 0.654) 0.938 2.082 ( 3.437 5.697 -1.007) 6.729 2.132 ( -2.730 -0.224 -2.424) 3.658 2.164 ( 8.909 -0.619 3.594) 9.626 2.273 ( 1.057 -0.349 -1.404) 1.792 2.326 ( 3.490 1.115 1.369) 3.911 2.457 ( 1.524 0.546 3.450) 3.811 2.511 ( 3.032 -4.716 -0.664) 5.646 2.666 ( 4.598 1.422 1.263) 4.976 2.687 ( 0.612 0.803 1.301) 1.647 2.722 ( -1.812 1.409 -5.754) 6.195 2.863 ( -1.154 -1.233 -4.753) 5.044 2.888 ( -0.994 -4.743 -0.610) 4.884 3.002 ( -5.458 0.161 -1.882) 5.775 3.059 ( 0.101 -1.072 2.430) 2.658 3.133 ( -3.125 -4.644 -3.794) 6.762 3.278 ( -6.131 1.899 -1.339) 6.556 3.388 ( -4.024 1.467 -8.048) 9.117 3.532 ( -1.541 5.294 -3.315) 6.433 3.590 ( -0.925 0.233 -2.611) 2.780 3.811 ( -7.723 4.364 8.166) 12.057 3.883 ( -8.775 0.676 10.436) 13.651 4.194 ( 2.767 -2.147 -0.953) 3.630 4.207 ( 0.847 -2.482 -0.658) 2.703 4.216 ( 1.000 2.160 0.687) 2.477 4.300 ( 0.202 -4.283 2.184) 4.812 4.597 ( 0.080 0.538 1.816) 1.896 4.635 ( -1.105 -0.711 1.262) 1.822 4.676 ( 2.956 -0.104 -2.968) 4.190 4.786 ( 0.207 3.276 -2.301) 4.009 4.983 ( 2.220 -0.334 -3.319) 4.007 5.109 ( -0.277 0.589 -2.753) 2.829 5.172 ( 0.623 1.758 1.092) 2.161 5.291 ( -4.832 -2.640 -1.696) 5.762 5.717 ( 0.457 -0.089 4.094) 4.121 5.840 ( -2.818 -0.763 7.917) 8.438 6.000 ( -0.052 -0.212 0.059) 0.226 6.015 ( 0.438 -0.045 0.778) 0.894 6.023 ( 0.696 0.066 0.100) 0.706 6.083 ( -1.129 0.550 0.992) 1.600 6.126 ( -3.207 2.006 2.584) 4.581 6.202 ( -3.528 -0.728 1.671) 3.971 6.683 ( 6.616 0.021 -4.562) 8.036 7.007 ( 1.452 -1.519 6.862) 7.176 7.133 ( -2.439 1.202 -4.513) 5.269 7.183 ( -2.823 0.159 0.779) 2.933 7.212 ( -1.780 -0.364 1.137) 2.143 7.270 ( -3.283 1.474 -4.143) 5.488 7.340 ( -1.279 1.749 3.432) 4.058 7.503 ( -2.691 -1.666 3.239) 4.529 7.989 ( 3.712 1.879 -0.488) 4.189 8.063 ( 5.202 -2.989 -1.503) 6.185 8.234 ( 5.179 5.271 -1.996) 7.654 8.361 ( 3.414 -6.279 -1.189) 7.245 8.611 ( -5.181 1.928 -5.693) 7.935 8.672 ( -4.976 -0.747 -1.884) 5.373 8.698 ( -2.768 0.289 -1.317) 3.079 8.808 ( -4.821 -0.040 1.130) 4.951 ======================= Grid point 39 (19/50) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 5.988 0.161 5.308) 8.003 0.799 ( 6.258 0.543 3.643) 7.262 0.878 ( 4.631 -4.813 1.370) 6.818 1.020 ( 4.783 1.358 3.652) 6.169 1.067 ( 0.296 0.156 1.947) 1.976 1.115 ( 1.872 2.092 2.228) 3.584 1.335 ( 3.462 0.334 0.182) 3.483 1.361 ( 3.773 -0.743 -0.309) 3.858 1.644 ( -1.630 0.989 0.045) 1.907 1.666 ( -2.031 -0.387 0.621) 2.159 1.756 ( -3.442 -0.049 2.699) 4.374 1.761 ( -3.037 0.282 2.138) 3.724 1.868 ( 1.486 -0.723 -2.462) 2.965 1.893 ( 1.624 -2.965 -6.077) 6.954 2.016 ( 2.024 4.547 -2.702) 5.663 2.096 ( -0.029 1.447 -3.453) 3.744 2.120 ( 1.464 -0.174 -2.557) 2.951 2.281 ( 1.971 4.613 -3.719) 6.245 2.316 ( 3.920 -0.249 -2.520) 4.667 2.420 ( 3.946 -2.627 -1.859) 5.091 2.480 ( -0.285 1.719 -2.151) 2.768 2.552 ( -0.117 -4.887 -1.970) 5.270 2.628 ( -2.808 -0.789 -4.788) 5.607 2.720 ( -2.605 -0.846 -6.151) 6.733 2.743 ( 3.818 1.346 1.985) 4.509 2.860 ( -0.988 -1.035 -2.826) 3.167 2.873 ( 1.301 -1.788 -0.010) 2.211 2.925 ( 0.775 -1.315 1.733) 2.309 3.055 ( -1.011 -0.956 4.628) 4.833 3.089 ( -1.396 -2.710 1.148) 3.257 3.186 ( -2.211 0.705 5.744) 6.195 3.318 ( -2.099 1.723 -1.099) 2.929 3.489 ( -3.475 3.967 4.376) 6.853 3.584 ( -0.840 -0.338 -1.004) 1.351 3.649 ( -6.238 2.968 5.636) 8.915 3.693 ( -8.894 2.191 10.731) 14.108 4.205 ( 0.499 0.235 0.431) 0.700 4.223 ( -0.046 1.637 1.224) 2.045 4.263 ( 2.227 -2.447 -0.789) 3.402 4.302 ( -0.066 -3.445 1.195) 3.647 4.595 ( -0.062 1.298 1.558) 2.029 4.618 ( -0.815 -0.883 0.461) 1.287 4.714 ( 0.612 -0.615 -3.070) 3.191 4.764 ( -1.927 1.370 -2.040) 3.123 5.042 ( 3.892 -1.311 -5.407) 6.790 5.124 ( 2.588 0.926 -4.909) 5.626 5.185 ( -0.804 -0.448 0.092) 0.925 5.224 ( -2.406 -0.020 -0.335) 2.429 5.734 ( 1.060 -0.130 4.671) 4.792 5.792 ( -1.997 -0.586 7.671) 7.949 6.003 ( 0.522 0.052 -0.082) 0.531 6.021 ( 0.217 0.076 0.530) 0.578 6.039 ( 0.876 0.060 0.555) 1.038 6.064 ( -0.610 0.779 0.512) 1.114 6.080 ( -1.464 0.805 2.136) 2.712 6.128 ( -3.540 -0.650 1.651) 3.960 6.819 ( 6.509 0.033 -3.918) 7.598 7.012 ( -1.599 -0.347 4.093) 4.408 7.103 ( -0.480 1.187 -5.291) 5.444 7.130 ( -1.549 -0.610 -0.872) 1.879 7.173 ( -2.022 -0.025 1.282) 2.394 7.187 ( -3.529 0.708 -3.564) 5.065 7.367 ( 2.278 0.197 2.341) 3.272 7.458 ( -2.060 -0.509 3.812) 4.363 8.065 ( 3.558 1.850 -1.205) 4.187 8.134 ( 1.437 -2.304 -1.071) 2.919 8.327 ( 4.210 2.624 -3.891) 6.304 8.401 ( 0.789 -3.865 -1.959) 4.405 8.529 ( -2.773 0.351 -3.253) 4.289 8.573 ( -4.307 0.817 -1.305) 4.574 8.663 ( -0.765 0.275 -0.951) 1.251 8.722 ( -3.586 -0.306 0.901) 3.710 ======================= Grid point 40 (20/50) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.971 -2.894 4.812) 5.951 0.836 ( 1.971 -2.894 4.812) 5.951 0.987 ( -5.258 0.303 2.665) 5.902 0.987 ( 5.258 0.303 2.665) 5.902 1.114 ( -1.993 2.140 -0.564) 2.978 1.114 ( 1.993 2.140 -0.564) 2.978 1.388 ( -1.213 0.065 0.561) 1.338 1.388 ( 1.213 0.065 0.561) 1.338 1.641 ( -1.024 -0.870 2.234) 2.607 1.641 ( 1.024 -0.870 2.234) 2.607 1.715 ( -0.466 0.750 1.121) 1.427 1.715 ( 0.466 0.750 1.121) 1.427 1.890 ( -0.934 -1.346 -2.024) 2.603 1.890 ( 0.934 -1.346 -2.024) 2.603 2.064 ( -2.405 4.329 -2.575) 5.581 2.064 ( 2.405 4.329 -2.575) 5.581 2.236 ( -6.854 -2.258 -8.460) 11.120 2.236 ( 6.854 -2.258 -8.460) 11.120 2.400 ( -5.224 3.975 -5.867) 8.804 2.400 ( 5.224 3.975 -5.867) 8.804 2.502 ( -3.465 -2.918 -4.443) 6.345 2.502 ( 3.465 -2.918 -4.443) 6.345 2.645 ( -2.844 -2.080 -4.580) 5.778 2.645 ( 2.844 -2.080 -4.580) 5.778 2.813 ( -2.709 -0.195 -0.809) 2.834 2.813 ( 2.709 -0.195 -0.809) 2.834 2.941 ( -2.505 -1.487 3.130) 4.275 2.941 ( 2.505 -1.487 3.130) 4.275 3.043 ( -1.529 0.438 2.596) 3.045 3.043 ( 1.529 0.438 2.596) 3.045 3.244 ( -6.259 -2.083 11.279) 13.066 3.244 ( 6.259 -2.083 11.279) 13.066 3.483 ( -5.558 4.224 7.215) 10.039 3.483 ( 5.558 4.224 7.215) 10.039 3.610 ( -0.648 1.151 0.111) 1.326 3.610 ( 0.648 1.151 0.111) 1.326 4.217 ( -0.546 1.154 0.846) 1.531 4.217 ( 0.546 1.154 0.846) 1.531 4.293 ( -0.877 -2.566 0.319) 2.731 4.293 ( 0.877 -2.566 0.319) 2.731 4.601 ( -0.706 0.231 0.607) 0.959 4.601 ( 0.706 0.231 0.607) 0.959 4.728 ( -1.272 -0.374 -1.836) 2.265 4.728 ( 1.272 -0.374 -1.836) 2.265 5.130 ( -4.184 -0.243 -3.841) 5.684 5.130 ( 4.184 -0.243 -3.841) 5.684 5.179 ( -2.475 0.297 -2.420) 3.474 5.179 ( 2.475 0.297 -2.420) 3.474 5.758 ( -1.396 -0.312 6.198) 6.361 5.758 ( 1.396 -0.312 6.198) 6.361 6.018 ( -0.654 0.445 0.392) 0.882 6.018 ( 0.654 0.445 0.392) 0.882 6.057 ( -0.830 0.046 1.059) 1.346 6.057 ( 0.830 0.046 1.059) 1.346 6.073 ( -1.536 -0.075 0.955) 1.810 6.073 ( 1.536 -0.075 0.955) 1.810 6.938 ( -5.170 0.002 -0.676) 5.214 6.938 ( 5.170 0.002 -0.676) 5.214 7.115 ( -1.188 0.289 -5.603) 5.735 7.115 ( 1.188 0.289 -5.603) 5.735 7.145 ( -0.609 0.071 1.519) 1.638 7.145 ( 0.609 0.071 1.519) 1.638 7.415 ( -2.310 -0.070 3.045) 3.822 7.415 ( 2.310 -0.070 3.045) 3.822 8.124 ( -2.066 0.298 -1.425) 2.527 8.124 ( 2.066 0.298 -1.425) 2.527 8.392 ( -1.841 -1.861 -3.419) 4.306 8.392 ( 1.841 -1.861 -3.419) 4.306 8.512 ( -1.310 1.235 -1.329) 2.238 8.512 ( 1.310 1.235 -1.329) 2.238 8.670 ( -1.487 0.033 -0.106) 1.491 8.670 ( 1.487 0.033 -0.106) 1.491 ======================= Grid point 54 (21/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 0.000 10.752) 10.752 0.617 ( 0.000 0.000 14.492) 14.492 0.729 ( 0.000 0.000 4.932) 4.932 0.950 ( 0.000 0.000 -5.603) 5.603 1.149 ( 0.000 0.000 13.663) 13.663 1.149 ( 0.000 0.000 20.034) 20.034 1.174 ( 0.000 0.000 4.308) 4.308 1.187 ( 0.000 0.000 1.430) 1.430 1.650 ( 0.000 0.000 5.733) 5.733 1.747 ( 0.000 0.000 2.671) 2.671 1.801 ( 0.000 0.000 -2.938) 2.938 1.857 ( 0.000 0.000 1.864) 1.864 1.868 ( 0.000 0.000 -5.231) 5.231 1.924 ( 0.000 0.000 4.980) 4.980 1.995 ( 0.000 0.000 4.694) 4.694 2.130 ( 0.000 0.000 3.563) 3.563 2.191 ( 0.000 0.000 2.670) 2.670 2.257 ( 0.000 0.000 0.143) 0.143 2.291 ( 0.000 0.000 8.384) 8.384 2.325 ( 0.000 0.000 2.089) 2.089 2.378 ( 0.000 0.000 -4.378) 4.378 2.437 ( 0.000 0.000 -5.299) 5.299 2.475 ( 0.000 0.000 -1.542) 1.542 2.643 ( 0.000 0.000 2.848) 2.848 2.648 ( 0.000 0.000 -2.282) 2.282 2.767 ( 0.000 0.000 -2.314) 2.314 2.949 ( 0.000 0.000 -4.540) 4.540 3.109 ( 0.000 0.000 -10.567) 10.567 3.161 ( 0.000 0.000 2.745) 2.745 3.244 ( 0.000 0.000 2.233) 2.233 3.301 ( 0.000 0.000 -3.288) 3.288 3.307 ( 0.000 0.000 -5.938) 5.938 3.364 ( 0.000 0.000 -13.231) 13.231 3.581 ( 0.000 0.000 -4.270) 4.270 3.758 ( 0.000 0.000 -9.308) 9.308 3.787 ( 0.000 0.000 -13.594) 13.594 4.093 ( 0.000 0.000 1.245) 1.245 4.095 ( 0.000 0.000 2.081) 2.081 4.298 ( 0.000 0.000 1.399) 1.399 4.452 ( 0.000 0.000 -0.345) 0.345 4.622 ( 0.000 0.000 1.012) 1.012 4.657 ( 0.000 0.000 0.446) 0.446 4.711 ( 0.000 0.000 -0.560) 0.560 4.846 ( 0.000 0.000 2.139) 2.139 5.058 ( 0.000 0.000 5.433) 5.433 5.078 ( 0.000 0.000 6.201) 6.201 5.187 ( 0.000 0.000 5.391) 5.391 5.320 ( 0.000 0.000 -5.423) 5.423 5.913 ( 0.000 0.000 1.619) 1.619 5.913 ( 0.000 0.000 3.223) 3.223 6.018 ( 0.000 0.000 0.728) 0.728 6.019 ( 0.000 0.000 1.187) 1.187 6.030 ( 0.000 0.000 0.750) 0.750 6.031 ( 0.000 0.000 -0.144) 0.144 6.119 ( 0.000 0.000 -1.252) 1.252 6.265 ( 0.000 0.000 -1.984) 1.984 6.849 ( 0.000 0.000 8.396) 8.396 7.085 ( 0.000 0.000 -1.707) 1.707 7.205 ( 0.000 0.000 -3.156) 3.156 7.256 ( 0.000 0.000 1.783) 1.783 7.282 ( 0.000 0.000 1.560) 1.560 7.322 ( 0.000 0.000 -5.428) 5.428 7.347 ( 0.000 0.000 1.326) 1.326 7.571 ( 0.000 0.000 -5.731) 5.731 7.889 ( 0.000 0.000 2.170) 2.170 8.005 ( 0.000 0.000 3.624) 3.624 8.037 ( 0.000 0.000 2.442) 2.442 8.450 ( 0.000 0.000 -6.296) 6.296 8.499 ( 0.000 0.000 3.066) 3.066 8.749 ( 0.000 0.000 -1.205) 1.205 8.796 ( 0.000 0.000 -4.191) 4.191 8.802 ( 0.000 0.000 -3.028) 3.028 ======================= Grid point 55 (22/50) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 1.596 0.000 11.096) 11.210 0.648 ( 3.069 0.000 13.045) 13.401 0.788 ( 5.337 0.000 4.512) 6.988 0.967 ( 1.478 0.000 -5.202) 5.408 1.054 ( -2.912 0.000 14.864) 15.147 1.133 ( -0.234 0.000 0.822) 0.855 1.244 ( 3.342 0.000 13.178) 13.595 1.274 ( 4.576 0.000 3.706) 5.889 1.596 ( -2.765 0.000 -0.795) 2.877 1.698 ( -3.453 0.000 -0.184) 3.458 1.824 ( 0.689 0.000 -1.895) 2.016 1.841 ( -1.712 0.000 -0.232) 1.727 1.895 ( 0.136 0.000 3.221) 3.223 1.952 ( 1.079 0.000 1.252) 1.652 2.030 ( 4.967 0.000 2.918) 5.760 2.089 ( -5.436 0.000 1.944) 5.773 2.105 ( -3.591 0.000 6.407) 7.344 2.220 ( -3.130 0.000 1.113) 3.322 2.299 ( -0.484 0.000 0.823) 0.955 2.328 ( 1.240 0.000 3.367) 3.588 2.435 ( -0.448 0.000 -6.148) 6.164 2.455 ( 7.518 0.000 -1.938) 7.764 2.567 ( 6.020 0.000 2.057) 6.362 2.611 ( -2.158 0.000 0.671) 2.260 2.661 ( 0.364 0.000 -2.584) 2.610 2.796 ( 1.478 0.000 -1.685) 2.241 2.923 ( -2.475 0.000 -5.233) 5.789 3.103 ( -0.681 0.000 -10.627) 10.649 3.118 ( -3.835 0.000 -0.178) 3.839 3.239 ( -0.994 0.000 -1.338) 1.667 3.243 ( -5.644 0.000 -8.211) 9.964 3.279 ( -0.633 0.000 3.825) 3.877 3.353 ( 1.145 0.000 -6.066) 6.173 3.551 ( -1.179 0.000 -2.334) 2.615 3.825 ( 3.092 0.000 -4.577) 5.523 3.874 ( 7.150 0.000 -11.745) 13.750 4.122 ( 2.241 0.000 1.396) 2.640 4.125 ( 3.094 0.000 -0.690) 3.170 4.286 ( -1.133 0.000 1.593) 1.954 4.434 ( -1.594 0.000 -0.073) 1.595 4.645 ( 1.807 0.000 1.550) 2.381 4.672 ( 1.522 0.000 -0.533) 1.613 4.705 ( -0.566 0.000 -0.920) 1.080 4.791 ( -4.811 0.000 5.734) 7.486 4.956 ( -5.399 0.000 6.040) 8.101 5.112 ( -5.524 0.000 -0.195) 5.527 5.151 ( 3.009 0.000 3.540) 4.646 5.332 ( -0.277 0.000 -3.189) 3.201 5.832 ( -2.338 0.000 4.487) 5.059 5.977 ( 0.742 0.000 2.891) 2.985 6.018 ( -0.113 0.000 1.031) 1.037 6.021 ( 0.247 0.000 0.827) 0.863 6.031 ( 0.411 0.000 0.760) 0.864 6.093 ( -1.919 0.000 -0.798) 2.079 6.101 ( 5.474 0.000 -1.676) 5.725 6.259 ( -0.951 0.000 -1.747) 1.989 6.750 ( -7.216 0.000 8.135) 10.874 7.063 ( -2.036 0.000 -2.249) 3.034 7.188 ( -1.822 0.000 -3.565) 4.004 7.209 ( -2.436 0.000 2.078) 3.202 7.254 ( -1.190 0.000 2.296) 2.586 7.342 ( -0.268 0.000 0.834) 0.876 7.361 ( -0.820 0.000 0.639) 1.039 7.561 ( -0.825 0.000 -3.749) 3.838 7.914 ( 3.512 0.000 -0.637) 3.569 7.973 ( -0.833 0.000 3.369) 3.471 8.094 ( 3.027 0.000 0.800) 3.131 8.427 ( -1.679 0.000 -7.310) 7.500 8.497 ( -0.133 0.000 2.855) 2.858 8.701 ( -2.677 0.000 -1.848) 3.253 8.755 ( -3.777 0.000 -3.376) 5.066 8.830 ( 0.193 0.000 -2.792) 2.799 ======================= Grid point 56 (23/50) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 5.641 0.000 7.865) 9.679 0.735 ( 5.399 0.000 9.371) 10.815 0.912 ( 6.241 0.000 3.346) 7.081 0.999 ( 1.436 0.000 -2.991) 3.318 1.048 ( 2.017 0.000 9.308) 9.524 1.178 ( 4.566 0.000 -2.405) 5.160 1.274 ( -0.565 0.000 7.579) 7.600 1.345 ( 2.247 0.000 2.475) 3.343 1.567 ( -0.125 0.000 -4.294) 4.296 1.649 ( -1.098 0.000 -1.897) 2.192 1.821 ( 0.070 0.000 -1.630) 1.631 1.825 ( -0.584 0.000 -0.915) 1.085 1.854 ( -2.809 0.000 0.360) 2.832 1.944 ( -2.080 0.000 5.389) 5.777 1.993 ( -5.880 0.000 -0.173) 5.882 1.994 ( -3.039 0.000 2.150) 3.722 2.146 ( 3.688 0.000 1.777) 4.094 2.180 ( -1.966 0.000 -0.260) 1.983 2.257 ( -1.747 0.000 -0.254) 1.765 2.394 ( 2.953 0.000 1.832) 3.475 2.431 ( -0.375 0.000 -4.154) 4.171 2.577 ( -0.698 0.000 -1.884) 2.009 2.598 ( 3.159 0.000 -3.787) 4.932 2.627 ( -1.112 0.000 -2.360) 2.609 2.649 ( 0.280 0.000 -4.832) 4.840 2.788 ( -0.838 0.000 -2.120) 2.280 2.885 ( -0.472 0.000 -2.170) 2.220 3.055 ( -1.194 0.000 1.138) 1.650 3.070 ( -2.300 0.000 -9.620) 9.891 3.210 ( 3.256 0.000 2.060) 3.853 3.234 ( 0.531 0.000 3.847) 3.883 3.287 ( 1.549 0.000 6.868) 7.040 3.389 ( 2.013 0.000 -3.984) 4.464 3.535 ( -0.592 0.000 -1.340) 1.464 3.835 ( -1.991 0.000 2.125) 2.912 3.988 ( 1.558 0.000 -2.439) 2.894 4.176 ( 3.665 0.000 -1.366) 3.911 4.193 ( 2.925 0.000 -1.066) 3.113 4.257 ( -1.476 0.000 2.121) 2.584 4.398 ( -1.760 0.000 0.150) 1.766 4.660 ( -0.472 0.000 3.726) 3.756 4.686 ( -1.719 0.000 0.724) 1.865 4.698 ( -2.728 0.000 2.993) 4.050 4.703 ( -0.055 0.000 1.070) 1.072 4.900 ( 1.425 0.000 -1.146) 1.829 5.008 ( -4.235 0.000 -4.058) 5.865 5.187 ( 0.500 0.000 0.660) 0.827 5.288 ( -4.040 0.000 -2.939) 4.996 5.817 ( 0.622 0.000 5.462) 5.498 5.977 ( -0.557 0.000 4.419) 4.454 6.011 ( -0.425 0.000 0.978) 1.066 6.027 ( 0.315 0.000 0.848) 0.904 6.042 ( 0.689 0.000 0.937) 1.162 6.064 ( -0.767 0.000 0.139) 0.779 6.163 ( -0.263 0.000 1.375) 1.400 6.219 ( -2.931 0.000 -1.048) 3.113 6.674 ( 1.061 0.000 3.122) 3.297 7.015 ( -2.307 0.000 -3.599) 4.275 7.132 ( -3.553 0.000 -4.263) 5.550 7.180 ( -0.716 0.000 3.527) 3.599 7.206 ( -4.171 0.000 2.351) 4.788 7.296 ( -3.975 0.000 3.662) 5.404 7.349 ( 1.211 0.000 0.424) 1.283 7.540 ( -1.373 0.000 -0.937) 1.662 7.983 ( 1.657 0.000 1.628) 2.323 8.032 ( 7.404 0.000 -4.826) 8.838 8.133 ( 0.771 0.000 -1.276) 1.490 8.396 ( -1.402 0.000 -8.206) 8.325 8.495 ( -0.111 0.000 2.488) 2.491 8.656 ( -1.803 0.000 -1.862) 2.591 8.660 ( -5.212 0.000 -1.303) 5.372 8.794 ( -3.292 0.000 -2.017) 3.861 ======================= Grid point 57 (24/50) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 8.071 0.000 2.563) 8.468 0.853 ( 5.982 0.000 5.436) 8.083 1.007 ( 2.262 0.000 1.394) 2.656 1.010 ( -0.772 0.000 -0.200) 0.797 1.111 ( 3.496 0.000 5.823) 6.792 1.227 ( -3.435 0.000 4.587) 5.731 1.291 ( 5.695 0.000 -3.838) 6.867 1.374 ( 0.960 0.000 -0.557) 1.110 1.598 ( 3.383 0.000 -2.452) 4.179 1.646 ( 0.618 0.000 -2.239) 2.323 1.786 ( -3.993 0.000 0.966) 4.108 1.802 ( -5.529 0.000 -0.167) 5.532 1.825 ( 1.271 0.000 -3.105) 3.355 1.883 ( 1.455 0.000 -1.827) 2.336 1.941 ( -0.832 0.000 1.378) 1.609 1.957 ( -1.803 0.000 -0.926) 2.026 2.144 ( -0.682 0.000 -1.175) 1.359 2.154 ( -1.358 0.000 1.710) 2.183 2.221 ( -3.346 0.000 -5.232) 6.211 2.362 ( -7.240 0.000 -8.548) 11.202 2.423 ( 1.545 0.000 -2.086) 2.596 2.535 ( -2.886 0.000 -2.751) 3.987 2.581 ( 0.880 0.000 -3.518) 3.627 2.608 ( -1.290 0.000 -5.124) 5.284 2.717 ( 4.423 0.000 -2.263) 4.968 2.830 ( 3.919 0.000 -0.994) 4.043 2.863 ( -2.467 0.000 -1.637) 2.960 3.011 ( -3.866 0.000 -6.506) 7.568 3.094 ( 4.141 0.000 6.723) 7.896 3.225 ( -1.671 0.000 7.086) 7.280 3.328 ( 7.248 0.000 8.530) 11.193 3.395 ( 9.690 0.000 10.263) 14.115 3.427 ( 1.624 0.000 -2.384) 2.885 3.529 ( 0.318 0.000 -1.685) 1.715 3.746 ( -6.749 0.000 6.541) 9.399 3.893 ( -9.910 0.000 10.103) 14.152 4.229 ( 0.635 0.000 0.506) 0.812 4.240 ( -0.023 0.000 2.300) 2.300 4.262 ( 3.898 0.000 -2.736) 4.762 4.364 ( -1.766 0.000 -0.150) 1.773 4.638 ( -0.963 0.000 4.046) 4.159 4.665 ( 0.142 0.000 -1.692) 1.697 4.675 ( -1.845 0.000 2.577) 3.170 4.677 ( -0.400 0.000 -2.061) 2.099 4.969 ( 0.985 0.000 -4.493) 4.600 4.991 ( 5.908 0.000 -6.178) 8.548 5.170 ( -2.197 0.000 -2.362) 3.226 5.179 ( -6.434 0.000 -4.133) 7.647 5.847 ( 2.217 0.000 6.283) 6.662 5.952 ( -2.010 0.000 6.530) 6.832 6.011 ( 0.469 0.000 1.126) 1.220 6.032 ( 0.025 0.000 0.899) 0.899 6.059 ( 0.944 0.000 0.961) 1.347 6.060 ( 0.453 0.000 0.719) 0.850 6.122 ( -2.600 0.000 2.543) 3.636 6.151 ( -3.481 0.000 -0.091) 3.483 6.769 ( 7.013 0.000 -1.189) 7.114 6.984 ( -0.523 0.000 -4.816) 4.844 7.057 ( -3.594 0.000 -4.719) 5.932 7.081 ( -7.494 0.000 1.323) 7.610 7.178 ( 0.502 0.000 3.283) 3.321 7.236 ( -2.219 0.000 3.521) 4.162 7.390 ( 2.674 0.000 0.284) 2.689 7.503 ( -2.346 0.000 0.217) 2.356 8.029 ( 2.720 0.000 -0.301) 2.736 8.126 ( -1.379 0.000 -2.301) 2.683 8.181 ( 6.862 0.000 -6.795) 9.657 8.363 ( -2.234 0.000 -8.198) 8.497 8.495 ( 0.255 0.000 2.272) 2.287 8.565 ( -3.844 0.000 0.871) 3.941 8.635 ( -0.097 0.000 -1.474) 1.477 8.719 ( -3.787 0.000 -1.393) 4.035 ======================= Grid point 58 (25/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -4.170 0.000 2.392) 4.808 0.959 ( 4.171 0.000 2.392) 4.808 0.972 ( -5.479 0.000 0.081) 5.479 0.972 ( 5.479 0.000 0.081) 5.479 1.168 ( -2.344 0.000 5.074) 5.589 1.168 ( 2.344 0.000 5.074) 5.589 1.372 ( -1.854 0.000 -2.896) 3.438 1.372 ( 1.854 0.000 -2.896) 3.438 1.689 ( -4.165 0.000 -1.636) 4.475 1.689 ( 4.165 0.000 -1.636) 4.475 1.693 ( -5.278 0.000 0.926) 5.358 1.693 ( 5.278 0.000 0.926) 5.358 1.886 ( -4.472 0.000 -6.353) 7.769 1.886 ( 4.472 0.000 -6.353) 7.769 1.926 ( -1.232 0.000 0.334) 1.276 1.926 ( 1.232 0.000 0.334) 1.276 2.155 ( -2.016 0.000 -0.631) 2.112 2.155 ( 2.016 0.000 -0.631) 2.112 2.201 ( -6.721 0.000 -7.187) 9.840 2.201 ( 6.721 0.000 -7.187) 9.840 2.477 ( -3.101 0.000 -2.539) 4.008 2.477 ( 3.101 0.000 -2.539) 4.008 2.598 ( -0.511 0.000 -3.415) 3.453 2.598 ( 0.511 0.000 -3.415) 3.453 2.798 ( -3.713 0.000 -2.069) 4.251 2.798 ( 3.713 0.000 -2.069) 4.251 2.920 ( -4.809 0.000 -3.531) 5.966 2.920 ( 4.809 0.000 -3.531) 5.966 3.173 ( -3.336 0.000 7.341) 8.064 3.173 ( 3.336 0.000 7.341) 8.064 3.435 ( -1.883 0.000 2.600) 3.211 3.435 ( 1.883 0.000 2.600) 3.211 3.593 ( -6.914 0.000 4.756) 8.392 3.593 ( 6.914 0.000 4.756) 8.392 3.644 ( -13.699 0.000 13.226) 19.042 3.644 ( 13.699 0.000 13.226) 19.042 4.238 ( -0.400 0.000 1.725) 1.771 4.238 ( 0.400 0.000 1.725) 1.771 4.323 ( -2.367 0.000 -1.013) 2.574 4.323 ( 2.367 0.000 -1.013) 2.574 4.641 ( -1.227 0.000 2.869) 3.121 4.641 ( 1.227 0.000 2.869) 3.121 4.671 ( -0.362 0.000 -2.834) 2.857 4.671 ( 0.362 0.000 -2.834) 2.857 5.047 ( -6.065 0.000 -5.052) 7.894 5.047 ( 6.065 0.000 -5.052) 7.894 5.100 ( -4.630 0.000 -5.083) 6.876 5.100 ( 4.630 0.000 -5.083) 6.876 5.900 ( -2.864 0.000 7.148) 7.700 5.900 ( 2.864 0.000 7.148) 7.700 6.025 ( -0.662 0.000 1.004) 1.203 6.025 ( 0.662 0.000 1.004) 1.203 6.081 ( -1.422 0.000 1.273) 1.909 6.081 ( 1.422 0.000 1.273) 1.909 6.089 ( -2.427 0.000 0.706) 2.528 6.089 ( 2.427 0.000 0.706) 2.528 6.923 ( -8.004 0.000 -0.823) 8.046 6.923 ( 8.004 0.000 -0.823) 8.046 6.999 ( -1.947 0.000 -5.109) 5.468 6.999 ( 1.947 0.000 -5.109) 5.468 7.199 ( -1.489 0.000 3.415) 3.726 7.199 ( 1.489 0.000 3.415) 3.726 7.448 ( -2.968 0.000 0.348) 2.989 7.448 ( 2.968 0.000 0.348) 2.989 8.084 ( -2.602 0.000 -1.797) 3.162 8.084 ( 2.602 0.000 -1.797) 3.162 8.296 ( -4.522 0.000 -7.799) 9.015 8.296 ( 4.522 0.000 -7.799) 9.015 8.511 ( -1.580 0.000 1.982) 2.535 8.511 ( 1.580 0.000 1.982) 2.535 8.656 ( -2.199 0.000 -1.208) 2.509 8.656 ( 2.199 0.000 -1.208) 2.509 ======================= Grid point 63 (26/50) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 -0.472 7.623) 7.638 0.594 ( 0.000 -0.389 7.955) 7.965 0.782 ( 0.000 2.920 8.936) 9.401 0.866 ( 0.000 -5.368 3.377) 6.341 1.168 ( 0.000 0.877 11.872) 11.905 1.173 ( 0.000 0.598 8.638) 8.659 1.214 ( 0.000 3.146 7.382) 8.024 1.225 ( 0.000 2.364 3.228) 4.001 1.639 ( 0.000 -0.115 4.680) 4.681 1.687 ( 0.000 -5.287 1.162) 5.414 1.818 ( 0.000 4.949 1.895) 5.299 1.875 ( 0.000 -1.361 0.491) 1.447 1.905 ( 0.000 -0.636 5.909) 5.943 1.915 ( 0.000 3.080 1.387) 3.378 2.065 ( 0.000 1.137 2.048) 2.342 2.130 ( 0.000 4.836 3.314) 5.863 2.170 ( 0.000 1.602 0.549) 1.693 2.189 ( 0.000 -4.384 5.076) 6.707 2.213 ( 0.000 -8.382 1.495) 8.514 2.297 ( 0.000 -5.179 -3.070) 6.020 2.358 ( 0.000 2.585 2.509) 3.603 2.427 ( 0.000 -2.941 1.457) 3.282 2.582 ( 0.000 8.315 -6.174) 10.356 2.656 ( 0.000 0.473 1.591) 1.660 2.740 ( 0.000 5.956 -1.964) 6.272 2.777 ( 0.000 3.652 -3.098) 4.790 2.857 ( 0.000 -6.905 -9.154) 11.466 2.971 ( 0.000 -9.781 -4.376) 10.715 3.148 ( 0.000 0.048 2.160) 2.161 3.191 ( 0.000 -3.942 2.465) 4.649 3.344 ( 0.000 2.843 -3.960) 4.875 3.383 ( 0.000 0.102 -6.531) 6.532 3.473 ( 0.000 11.125 -9.829) 14.845 3.588 ( 0.000 2.539 -8.205) 8.589 3.678 ( 0.000 -7.202 -8.857) 11.415 3.698 ( 0.000 -6.604 -12.114) 13.797 4.160 ( 0.000 5.183 1.074) 5.293 4.187 ( 0.000 7.139 2.155) 7.458 4.260 ( 0.000 -3.573 1.111) 3.742 4.344 ( 0.000 -7.170 1.600) 7.346 4.629 ( 0.000 0.790 1.076) 1.335 4.657 ( 0.000 -1.654 1.186) 2.036 4.789 ( 0.000 5.410 -1.645) 5.655 4.851 ( 0.000 -0.415 0.772) 0.876 5.075 ( 0.000 0.376 7.727) 7.736 5.100 ( 0.000 -0.005 8.460) 8.460 5.189 ( 0.000 3.257 -1.718) 3.683 5.283 ( 0.000 -3.546 -5.388) 6.451 5.914 ( 0.000 0.040 2.596) 2.596 5.914 ( 0.000 0.037 2.766) 2.766 6.012 ( 0.000 -0.495 0.619) 0.793 6.018 ( 0.000 -0.498 0.339) 0.603 6.020 ( 0.000 0.017 0.961) 0.961 6.021 ( 0.000 -0.304 0.865) 0.916 6.169 ( 0.000 3.469 -1.917) 3.964 6.236 ( 0.000 -2.519 -2.107) 3.284 6.895 ( 0.000 4.197 7.695) 8.766 7.012 ( 0.000 -6.069 3.586) 7.049 7.203 ( 0.000 -0.064 -2.883) 2.884 7.217 ( 0.000 -1.975 -1.470) 2.462 7.269 ( 0.000 0.267 1.610) 1.632 7.278 ( 0.000 -0.370 1.636) 1.677 7.475 ( 0.000 5.104 -5.300) 7.358 7.549 ( 0.000 -2.156 -5.862) 6.247 7.922 ( 0.000 2.664 2.574) 3.705 7.979 ( 0.000 -2.314 3.291) 4.023 8.082 ( 0.000 4.374 2.711) 5.146 8.228 ( 0.000 -9.579 2.384) 9.871 8.674 ( 0.000 5.529 -3.933) 6.785 8.750 ( 0.000 -2.664 -3.065) 4.060 8.781 ( 0.000 2.685 -3.114) 4.112 8.819 ( 0.000 -0.306 -4.418) 4.429 ======================= Grid point 64 (27/50) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 4.333 2.112 5.741) 7.496 0.654 ( 4.745 0.045 8.657) 9.872 0.810 ( 2.749 0.203 8.489) 8.926 0.861 ( -0.132 -4.729 4.556) 6.568 1.124 ( -1.771 3.234 8.398) 9.172 1.166 ( 0.322 1.504 1.806) 2.372 1.245 ( 1.890 0.313 10.110) 10.290 1.285 ( 3.228 0.689 4.958) 5.956 1.546 ( -2.957 -2.927 -1.188) 4.327 1.740 ( -4.565 2.243 -1.267) 5.242 1.749 ( 1.078 -1.943 1.319) 2.584 1.878 ( -0.845 -1.152 4.482) 4.704 1.938 ( 2.208 3.984 0.167) 4.558 2.006 ( 3.890 2.674 2.372) 5.283 2.041 ( -2.454 1.315 1.213) 3.037 2.062 ( -3.525 -1.148 5.267) 6.441 2.108 ( -0.871 0.167 0.895) 1.260 2.185 ( -3.465 -1.265 2.684) 4.562 2.252 ( 3.031 -5.818 3.122) 7.265 2.309 ( 1.642 0.319 -0.522) 1.752 2.393 ( 4.920 -2.826 -0.954) 5.753 2.498 ( -0.814 1.161 -1.367) 1.969 2.576 ( 3.760 2.829 -1.365) 4.899 2.640 ( -1.892 1.448 -3.905) 4.574 2.725 ( -0.975 4.645 0.065) 4.747 2.799 ( 1.507 1.536 -1.711) 2.749 2.853 ( -0.452 -4.471 -6.930) 8.259 2.958 ( -2.069 -8.167 -5.854) 10.259 3.125 ( -1.550 -0.144 0.888) 1.792 3.165 ( -2.215 -3.738 1.402) 4.565 3.310 ( -2.313 3.189 -3.644) 5.367 3.340 ( -3.135 1.170 -4.688) 5.760 3.444 ( -0.154 6.788 -5.860) 8.969 3.536 ( -1.354 -1.348 -5.022) 5.374 3.790 ( 6.866 -2.287 -8.943) 11.504 3.846 ( 9.798 -2.270 -9.318) 13.711 4.170 ( -0.202 4.230 2.391) 4.863 4.191 ( 1.128 5.574 0.996) 5.774 4.255 ( -0.534 -2.777 1.436) 3.171 4.340 ( -0.423 -6.735 1.443) 6.901 4.643 ( 0.965 -0.187 2.037) 2.262 4.674 ( 1.804 -0.427 -0.541) 1.932 4.751 ( -3.065 2.755 -0.549) 4.157 4.796 ( -5.001 0.300 5.096) 7.146 4.985 ( -4.434 1.055 4.575) 6.458 5.113 ( -4.604 0.201 -1.332) 4.797 5.181 ( 2.007 3.001 2.519) 4.402 5.288 ( -0.310 -3.593 -2.799) 4.565 5.830 ( -2.344 -0.091 4.723) 5.273 5.969 ( 0.151 -0.438 3.019) 3.054 6.016 ( -0.194 -0.160 0.915) 0.949 6.021 ( 0.491 -0.260 0.787) 0.964 6.023 ( 0.416 0.022 0.908) 0.999 6.087 ( 4.024 -0.189 -0.842) 4.116 6.146 ( -0.326 2.379 -1.988) 3.118 6.241 ( -0.338 -1.304 -1.940) 2.361 6.758 ( -8.305 0.500 8.302) 11.754 7.057 ( 1.006 -0.486 1.713) 2.045 7.130 ( -3.765 -2.365 -2.699) 5.202 7.222 ( -1.008 0.228 -0.435) 1.121 7.264 ( -0.623 0.764 2.075) 2.297 7.289 ( 0.189 -1.493 1.202) 1.927 7.462 ( -2.735 4.352 -2.571) 5.747 7.544 ( -0.473 -1.645 -3.165) 3.598 7.922 ( 1.970 0.621 0.484) 2.121 7.970 ( 0.196 -0.347 2.971) 2.997 8.133 ( 3.354 3.942 0.391) 5.191 8.265 ( 2.672 -8.022 -0.682) 8.482 8.628 ( -4.363 5.344 -3.250) 7.627 8.705 ( -3.324 -0.023 -2.224) 3.999 8.722 ( -2.738 -2.340 -2.844) 4.589 8.847 ( -0.488 0.853 -3.345) 3.486 ======================= Grid point 65 (28/50) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 6.645 5.503 5.094) 10.019 0.757 ( 5.143 1.498 7.570) 9.273 0.882 ( 2.568 -2.351 3.972) 5.282 0.891 ( 4.959 -6.533 4.754) 9.480 1.117 ( 0.915 3.176 4.178) 5.327 1.207 ( 3.752 1.334 -2.103) 4.504 1.258 ( -0.878 -0.843 6.937) 7.043 1.325 ( 0.995 -1.199 3.022) 3.400 1.556 ( 3.291 -0.576 -4.252) 5.408 1.670 ( -2.134 0.884 -3.414) 4.122 1.754 ( -0.241 -1.335 -2.349) 2.713 1.833 ( -3.630 -0.077 4.725) 5.959 1.920 ( -2.182 1.173 2.595) 3.588 1.938 ( -4.990 -0.822 3.576) 6.194 2.018 ( -0.129 3.226 1.202) 3.445 2.044 ( -3.477 3.737 -1.848) 5.429 2.128 ( 0.257 -0.804 2.490) 2.629 2.183 ( 4.174 -1.387 -1.743) 4.731 2.275 ( -1.357 1.248 0.925) 2.063 2.357 ( 1.996 -2.694 0.277) 3.364 2.437 ( -3.023 0.685 -6.564) 7.259 2.478 ( 2.199 -4.627 -2.164) 5.561 2.603 ( -1.093 1.075 -3.265) 3.607 2.638 ( -1.532 -0.337 -5.602) 5.818 2.717 ( 1.552 4.453 0.556) 4.749 2.810 ( 0.024 1.682 -1.737) 2.418 2.865 ( 1.329 -1.498 -1.097) 2.283 2.902 ( -1.174 -7.731 -2.827) 8.315 3.093 ( -1.982 -0.066 -3.337) 3.882 3.161 ( 2.505 -2.826 6.240) 7.293 3.284 ( 0.014 2.614 1.240) 2.893 3.310 ( 0.594 0.506 2.303) 2.432 3.462 ( 1.598 5.212 -3.504) 6.480 3.534 ( 0.618 -1.113 -2.999) 3.258 3.888 ( 1.466 3.348 -1.464) 3.937 3.979 ( 1.138 -1.160 -1.157) 1.995 4.167 ( 1.898 0.291 0.531) 1.992 4.212 ( 0.073 0.702 0.474) 0.850 4.244 ( -0.060 0.264 1.728) 1.749 4.330 ( -0.507 -4.970 0.763) 5.054 4.653 ( -0.384 -0.367 3.430) 3.471 4.679 ( -2.638 -0.317 1.394) 3.001 4.700 ( -2.975 0.216 5.544) 6.296 4.728 ( 1.391 1.157 -3.141) 3.625 4.922 ( -1.194 1.134 -1.666) 2.342 5.016 ( -3.590 0.560 -3.833) 5.281 5.200 ( -0.514 1.126 0.104) 1.242 5.258 ( -2.616 -2.130 -1.989) 3.916 5.816 ( 0.649 -0.059 5.573) 5.611 5.962 ( -0.644 -0.688 4.583) 4.679 6.010 ( -0.237 -0.100 1.067) 1.097 6.027 ( 0.306 -0.010 0.704) 0.768 6.038 ( 0.860 -0.140 0.971) 1.304 6.088 ( -0.999 1.052 0.161) 1.460 6.175 ( -0.502 0.917 0.935) 1.402 6.210 ( -2.624 -0.695 -1.129) 2.940 6.674 ( 0.981 -0.022 3.232) 3.378 7.027 ( -2.707 0.977 -4.110) 5.018 7.083 ( -1.870 -2.503 -0.358) 3.145 7.192 ( -1.748 0.196 0.771) 1.920 7.235 ( -2.973 1.927 1.727) 3.942 7.271 ( -2.296 -1.577 2.198) 3.548 7.384 ( -2.250 1.770 0.760) 2.962 7.532 ( -0.954 -0.539 -0.351) 1.151 7.992 ( 2.519 0.825 0.745) 2.753 8.015 ( 5.364 -1.174 -2.522) 6.043 8.183 ( 1.514 4.090 -3.194) 5.406 8.306 ( 1.232 -5.692 -4.300) 7.239 8.547 ( -2.892 2.381 -0.757) 3.822 8.639 ( -3.798 -0.963 -1.180) 4.092 8.665 ( -2.236 0.120 -2.042) 3.030 8.798 ( -3.784 0.238 -1.839) 4.214 ======================= Grid point 66 (29/50) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 4.349 1.336 4.746) 6.574 0.887 ( 6.898 3.684 4.474) 9.010 0.927 ( 1.425 -3.412 2.781) 4.627 1.002 ( 4.896 -3.753 -0.102) 6.170 1.139 ( 0.518 2.317 2.497) 3.445 1.209 ( -3.566 -1.285 4.463) 5.855 1.302 ( 4.918 0.651 -4.059) 6.410 1.348 ( 1.564 -1.409 -0.797) 2.251 1.634 ( 2.597 1.277 -1.058) 3.082 1.662 ( 2.214 1.721 -5.869) 6.504 1.737 ( -1.615 -1.541 -1.280) 2.573 1.766 ( -2.546 -1.845 0.779) 3.239 1.849 ( -3.013 -0.004 2.104) 3.675 1.878 ( -2.385 0.131 2.241) 3.276 1.973 ( -1.007 2.683 -1.154) 3.089 2.041 ( 0.909 2.432 -1.359) 2.931 2.102 ( -3.010 0.002 -0.015) 3.010 2.205 ( -3.318 1.633 -5.054) 6.262 2.247 ( 0.090 1.272 -2.539) 2.841 2.357 ( -4.251 2.121 -8.321) 9.582 2.388 ( 2.022 -3.066 -1.326) 3.905 2.504 ( -0.184 -4.350 -2.100) 4.834 2.561 ( -1.608 0.466 -3.140) 3.559 2.597 ( -1.316 -1.623 -3.414) 4.003 2.750 ( 0.908 3.347 -2.645) 4.362 2.806 ( -1.346 -1.957 -3.015) 3.838 2.874 ( 2.018 0.453 -1.211) 2.397 2.939 ( 1.341 -3.529 -2.090) 4.315 3.089 ( 1.927 -0.576 2.805) 3.451 3.194 ( -0.705 -1.875 7.308) 7.577 3.329 ( 5.223 0.309 8.476) 9.961 3.372 ( 4.411 -0.639 4.230) 6.145 3.510 ( 3.419 4.188 0.451) 5.426 3.561 ( 3.033 1.239 0.384) 3.299 3.809 ( -8.501 4.206 8.470) 12.716 3.899 ( -7.672 -0.171 8.261) 11.275 4.210 ( 0.508 -1.408 0.071) 1.498 4.236 ( 2.298 -0.719 -1.044) 2.624 4.250 ( 1.093 0.557 0.408) 1.293 4.318 ( -0.798 -3.199 0.205) 3.303 4.629 ( -1.539 -0.885 1.455) 2.296 4.631 ( -1.374 -0.477 1.745) 2.271 4.687 ( 0.388 0.518 0.596) 0.880 4.726 ( -1.299 1.837 -1.338) 2.618 4.944 ( 3.021 -0.996 -4.462) 5.480 5.016 ( 3.588 0.985 -5.788) 6.880 5.150 ( -4.491 -0.773 -3.529) 5.764 5.192 ( -3.634 0.404 -2.807) 4.609 5.846 ( 2.171 -0.063 6.386) 6.746 5.941 ( -1.615 -0.539 6.694) 6.907 6.014 ( 0.720 0.129 1.197) 1.403 6.033 ( 0.287 0.029 0.742) 0.797 6.056 ( 1.009 -0.108 0.929) 1.376 6.075 ( -0.270 0.790 0.649) 1.057 6.127 ( -2.953 0.517 2.277) 3.764 6.146 ( -3.415 -0.487 0.045) 3.450 6.768 ( 7.005 -0.033 -1.229) 7.112 6.989 ( -0.715 0.368 -5.319) 5.379 7.030 ( -3.412 -1.187 -2.486) 4.385 7.104 ( -7.024 0.842 -0.416) 7.086 7.185 ( -0.192 0.487 2.862) 2.909 7.229 ( -1.774 -0.468 3.439) 3.898 7.396 ( 2.269 0.358 0.276) 2.314 7.501 ( -2.148 -0.149 0.409) 2.192 8.045 ( 2.615 1.199 -0.594) 2.937 8.100 ( 1.738 -1.621 -2.285) 3.297 8.215 ( 2.666 2.508 -6.883) 7.796 8.314 ( -0.536 -3.326 -6.067) 6.939 8.513 ( -0.689 0.897 1.033) 1.531 8.564 ( -3.280 -0.103 0.457) 3.313 8.639 ( -0.254 0.230 -1.546) 1.584 8.718 ( -3.815 -0.042 -1.178) 3.993 ======================= Grid point 67 (30/50) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.004 -1.455 3.422) 4.224 0.917 ( 2.004 -1.455 3.422) 4.224 1.016 ( -4.432 1.651 0.208) 4.734 1.016 ( 4.432 1.651 0.208) 4.735 1.150 ( -1.904 -1.103 3.428) 4.073 1.150 ( 1.904 -1.103 3.428) 4.073 1.366 ( -0.835 -0.401 -3.450) 3.572 1.366 ( 0.835 -0.401 -3.450) 3.572 1.678 ( -3.090 -0.394 -1.622) 3.512 1.678 ( 3.090 -0.394 -1.622) 3.512 1.722 ( -2.786 1.489 1.447) 3.475 1.722 ( 2.786 1.489 1.447) 3.475 1.841 ( -1.576 -1.272 -2.945) 3.575 1.841 ( 1.576 -1.272 -2.945) 3.575 2.000 ( -3.444 3.091 -2.516) 5.268 2.000 ( 3.444 3.091 -2.516) 5.268 2.114 ( -4.341 -2.310 -3.254) 5.897 2.114 ( 4.341 -2.310 -3.254) 5.897 2.277 ( -2.994 5.361 -5.144) 8.011 2.277 ( 2.994 5.361 -5.144) 8.011 2.454 ( -3.622 -1.921 -1.015) 4.224 2.454 ( 3.622 -1.921 -1.015) 4.224 2.572 ( -1.315 -3.005 -2.960) 4.418 2.572 ( 1.315 -3.005 -2.960) 4.418 2.772 ( -1.475 -0.246 -3.039) 3.387 2.772 ( 1.475 -0.246 -3.039) 3.387 2.924 ( -2.177 -0.111 -3.628) 4.232 2.924 ( 2.177 -0.111 -3.628) 4.232 3.148 ( -3.182 -1.271 6.745) 7.566 3.148 ( 3.182 -1.271 6.745) 7.566 3.416 ( -1.091 -1.118 3.922) 4.222 3.416 ( 1.091 -1.118 3.922) 4.222 3.619 ( -8.458 1.993 6.883) 11.085 3.619 ( 8.458 1.993 6.883) 11.085 3.706 ( -10.157 3.015 10.573) 14.968 3.706 ( 10.157 3.015 10.573) 14.968 4.230 ( -1.082 -0.455 0.323) 1.217 4.230 ( 1.082 -0.455 0.323) 1.217 4.294 ( -1.691 -1.774 -0.426) 2.487 4.294 ( 1.691 -1.774 -0.426) 2.487 4.615 ( -0.226 -0.981 0.781) 1.274 4.615 ( 0.226 -0.981 0.781) 1.274 4.700 ( -0.967 1.122 -0.512) 1.567 4.700 ( 0.967 1.122 -0.512) 1.567 5.039 ( -5.866 -0.409 -5.214) 7.859 5.039 ( 5.866 -0.409 -5.214) 7.859 5.109 ( -4.723 0.419 -4.911) 6.826 5.109 ( 4.723 0.419 -4.911) 6.826 5.896 ( -2.620 -0.202 7.295) 7.754 5.896 ( 2.620 -0.202 7.295) 7.754 6.032 ( -0.659 0.405 0.974) 1.244 6.032 ( 0.659 0.405 0.974) 1.244 6.080 ( -1.073 -0.100 1.125) 1.557 6.080 ( 1.073 -0.100 1.125) 1.557 6.090 ( -1.374 0.000 0.754) 1.567 6.090 ( 1.374 0.000 0.754) 1.567 6.920 ( -7.469 -0.196 -1.187) 7.565 6.920 ( 7.469 -0.196 -1.187) 7.565 7.004 ( -2.277 0.288 -4.927) 5.435 7.004 ( 2.277 0.288 -4.927) 5.435 7.198 ( -1.229 -0.048 3.413) 3.628 7.198 ( 1.229 -0.048 3.413) 3.628 7.450 ( -2.788 0.067 0.344) 2.810 7.450 ( 2.788 0.067 0.344) 2.810 8.091 ( -1.809 0.402 -1.733) 2.537 8.091 ( 1.809 0.402 -1.733) 2.537 8.280 ( -2.829 -0.950 -7.171) 7.767 8.280 ( 2.829 -0.950 -7.171) 7.767 8.518 ( -1.205 0.339 1.414) 1.889 8.518 ( 1.205 0.339 1.414) 1.889 8.657 ( -2.048 0.064 -1.187) 2.367 8.657 ( 2.048 0.064 -1.187) 2.367 ======================= Grid point 81 (31/50) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 0.000 5.972) 5.972 0.843 ( 0.000 0.000 6.548) 6.548 0.859 ( 0.000 0.000 9.850) 9.850 0.889 ( 0.000 0.000 -1.856) 1.856 1.227 ( 0.000 0.000 1.295) 1.295 1.242 ( 0.000 0.000 4.532) 4.532 1.331 ( 0.000 0.000 4.896) 4.896 1.339 ( 0.000 0.000 0.149) 0.149 1.747 ( 0.000 0.000 -2.275) 2.275 1.770 ( 0.000 0.000 5.495) 5.495 1.773 ( 0.000 0.000 -3.964) 3.964 1.796 ( 0.000 0.000 2.278) 2.278 2.000 ( 0.000 0.000 9.863) 9.863 2.014 ( 0.000 0.000 4.534) 4.534 2.114 ( 0.000 0.000 7.422) 7.422 2.165 ( 0.000 0.000 -0.242) 0.242 2.227 ( 0.000 0.000 3.319) 3.319 2.244 ( 0.000 0.000 -6.423) 6.423 2.289 ( 0.000 0.000 -6.883) 6.883 2.300 ( 0.000 0.000 2.823) 2.823 2.416 ( 0.000 0.000 3.893) 3.893 2.417 ( 0.000 0.000 7.000) 7.000 2.500 ( 0.000 0.000 0.329) 0.329 2.656 ( 0.000 0.000 2.504) 2.504 2.675 ( 0.000 0.000 -1.158) 1.158 2.727 ( 0.000 0.000 -1.791) 1.791 2.849 ( 0.000 0.000 -4.848) 4.848 2.920 ( 0.000 0.000 -8.471) 8.471 3.111 ( 0.000 0.000 -10.123) 10.123 3.137 ( 0.000 0.000 -5.672) 5.672 3.194 ( 0.000 0.000 0.633) 0.633 3.237 ( 0.000 0.000 -3.127) 3.127 3.374 ( 0.000 0.000 4.528) 4.528 3.511 ( 0.000 0.000 -3.348) 3.348 3.557 ( 0.000 0.000 -9.287) 9.287 3.570 ( 0.000 0.000 -8.925) 8.925 4.123 ( 0.000 0.000 1.486) 1.486 4.125 ( 0.000 0.000 1.223) 1.223 4.330 ( 0.000 0.000 1.945) 1.945 4.422 ( 0.000 0.000 -2.332) 2.332 4.650 ( 0.000 0.000 2.009) 2.009 4.674 ( 0.000 0.000 1.130) 1.130 4.705 ( 0.000 0.000 -0.303) 0.303 4.800 ( 0.000 0.000 -5.067) 5.067 5.159 ( 0.000 0.000 4.839) 4.839 5.179 ( 0.000 0.000 4.332) 4.332 5.251 ( 0.000 0.000 1.159) 1.159 5.277 ( 0.000 0.000 -0.825) 0.825 5.957 ( 0.000 0.000 2.843) 2.843 5.990 ( 0.000 0.000 4.448) 4.448 6.029 ( 0.000 0.000 0.246) 0.246 6.038 ( 0.000 0.000 0.633) 0.633 6.043 ( 0.000 0.000 0.538) 0.538 6.045 ( 0.000 0.000 1.706) 1.706 6.086 ( 0.000 0.000 -2.100) 2.100 6.209 ( 0.000 0.000 -3.816) 3.816 6.992 ( 0.000 0.000 6.264) 6.264 7.077 ( 0.000 0.000 0.963) 0.963 7.148 ( 0.000 0.000 -2.796) 2.796 7.210 ( 0.000 0.000 -5.357) 5.357 7.298 ( 0.000 0.000 2.081) 2.081 7.314 ( 0.000 0.000 2.004) 2.004 7.356 ( 0.000 0.000 -0.362) 0.362 7.463 ( 0.000 0.000 -5.439) 5.439 7.943 ( 0.000 0.000 3.287) 3.287 8.051 ( 0.000 0.000 -0.950) 0.950 8.089 ( 0.000 0.000 5.041) 5.041 8.323 ( 0.000 0.000 -6.704) 6.704 8.567 ( 0.000 0.000 3.874) 3.874 8.709 ( 0.000 0.000 -2.889) 2.889 8.729 ( 0.000 0.000 -2.285) 2.285 8.746 ( 0.000 0.000 -2.517) 2.517 ======================= Grid point 82 (32/50) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 2.267 0.000 6.761) 7.131 0.871 ( 1.156 0.000 8.623) 8.700 0.888 ( 4.105 0.000 5.431) 6.808 0.917 ( 2.426 0.000 0.056) 2.427 1.143 ( -3.051 0.000 0.716) 3.134 1.275 ( -4.249 0.000 6.975) 8.168 1.332 ( -1.360 0.000 -3.001) 3.295 1.337 ( 4.042 0.000 2.270) 4.636 1.627 ( -6.181 0.000 1.863) 6.455 1.669 ( -5.421 0.000 -2.244) 5.867 1.831 ( 1.872 0.000 3.623) 4.078 1.837 ( -0.481 0.000 0.604) 0.772 1.985 ( -3.439 0.000 4.471) 5.641 1.995 ( -0.671 0.000 2.555) 2.641 2.076 ( -3.624 0.000 3.726) 5.198 2.153 ( -0.024 0.000 3.800) 3.800 2.182 ( 0.831 0.000 -0.069) 0.834 2.258 ( 1.028 0.000 -3.852) 3.987 2.266 ( -8.140 0.000 2.394) 8.485 2.329 ( 0.987 0.000 -0.881) 1.323 2.428 ( 2.248 0.000 4.583) 5.105 2.446 ( 5.833 0.000 2.685) 6.421 2.524 ( -1.952 0.000 -8.418) 8.642 2.614 ( -3.011 0.000 -0.659) 3.082 2.638 ( -2.899 0.000 -0.822) 3.014 2.746 ( -0.201 0.000 -4.322) 4.327 2.842 ( 0.821 0.000 -1.469) 1.683 2.914 ( -0.233 0.000 -7.361) 7.365 3.085 ( -1.478 0.000 -0.815) 1.688 3.145 ( 5.007 0.000 -0.851) 5.079 3.243 ( 2.883 0.000 1.199) 3.123 3.264 ( 2.154 0.000 -3.436) 4.056 3.387 ( 1.066 0.000 4.998) 5.110 3.502 ( 0.181 0.000 -2.640) 2.646 3.655 ( 8.495 0.000 -9.772) 12.948 3.688 ( 8.439 0.000 -8.589) 12.041 4.131 ( 0.948 0.000 1.037) 1.405 4.144 ( 1.645 0.000 0.761) 1.812 4.322 ( -0.756 0.000 2.177) 2.305 4.412 ( -1.019 0.000 -1.938) 2.190 4.642 ( 0.223 0.000 -0.270) 0.350 4.684 ( -1.710 0.000 -1.372) 2.193 4.701 ( 1.575 0.000 2.210) 2.714 4.800 ( -0.247 0.000 -2.978) 2.988 5.082 ( -5.344 0.000 6.507) 8.421 5.162 ( -6.812 0.000 4.072) 7.936 5.204 ( 0.259 0.000 1.840) 1.858 5.280 ( -1.566 0.000 -3.194) 3.557 5.924 ( -1.211 0.000 5.151) 5.291 6.024 ( 1.009 0.000 1.871) 2.126 6.033 ( 0.307 0.000 0.414) 0.516 6.039 ( 0.139 0.000 0.788) 0.800 6.043 ( 0.438 0.000 0.491) 0.658 6.074 ( -0.852 0.000 -1.254) 1.516 6.089 ( 3.863 0.000 0.471) 3.891 6.201 ( -0.952 0.000 -4.062) 4.173 6.887 ( -7.522 0.000 5.915) 9.569 7.028 ( -4.014 0.000 -1.865) 4.426 7.148 ( -0.813 0.000 -0.055) 0.815 7.240 ( 0.621 0.000 0.470) 0.778 7.279 ( -1.054 0.000 -0.621) 1.223 7.338 ( -1.028 0.000 -1.164) 1.553 7.343 ( 1.473 0.000 0.715) 1.637 7.480 ( 1.166 0.000 -4.497) 4.646 7.940 ( 0.272 0.000 2.850) 2.863 8.031 ( -1.092 0.000 1.367) 1.749 8.106 ( 0.741 0.000 1.599) 1.762 8.297 ( -2.095 0.000 -6.364) 6.700 8.558 ( -0.786 0.000 3.230) 3.324 8.660 ( -2.730 0.000 -2.296) 3.567 8.707 ( -2.155 0.000 -1.268) 2.501 8.769 ( 0.227 0.000 -3.287) 3.295 ======================= Grid point 83 (33/50) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 2.867 0.000 7.794) 8.305 0.902 ( 1.926 0.000 7.099) 7.356 0.973 ( 2.890 0.000 1.685) 3.346 0.983 ( 4.598 0.000 3.310) 5.665 1.130 ( 1.782 0.000 -3.207) 3.669 1.198 ( -2.526 0.000 3.859) 4.612 1.290 ( -2.748 0.000 -3.032) 4.092 1.372 ( -0.715 0.000 -0.272) 0.765 1.540 ( -2.158 0.000 0.261) 2.174 1.594 ( -1.913 0.000 -3.404) 3.905 1.799 ( -1.796 0.000 -0.038) 1.797 1.849 ( -0.144 0.000 5.159) 5.161 1.888 ( -4.299 0.000 1.109) 4.440 1.977 ( -3.031 0.000 0.385) 3.055 2.008 ( -4.191 0.000 -0.684) 4.247 2.087 ( -6.888 0.000 6.247) 9.299 2.164 ( -0.164 0.000 1.483) 1.493 2.184 ( -0.682 0.000 1.104) 1.298 2.271 ( -0.120 0.000 0.347) 0.367 2.334 ( -4.420 0.000 -6.364) 7.748 2.402 ( -2.872 0.000 -0.523) 2.920 2.452 ( -0.963 0.000 -9.908) 9.955 2.538 ( -1.360 0.000 -1.488) 2.016 2.567 ( -1.808 0.000 -1.255) 2.201 2.594 ( 3.710 0.000 -0.237) 3.718 2.755 ( 1.428 0.000 -3.067) 3.383 2.868 ( 0.053 0.000 -0.557) 0.559 2.912 ( -0.267 0.000 -6.026) 6.032 3.122 ( 4.497 0.000 5.468) 7.080 3.291 ( 6.672 0.000 0.641) 6.702 3.321 ( 4.381 0.000 4.808) 6.505 3.326 ( 5.654 0.000 1.838) 5.945 3.420 ( 3.542 0.000 6.491) 7.394 3.505 ( -0.070 0.000 -1.560) 1.561 3.832 ( 4.782 0.000 -2.921) 5.604 3.846 ( 9.336 0.000 -8.827) 12.848 4.168 ( 2.682 0.000 -0.785) 2.795 4.179 ( 1.601 0.000 0.186) 1.611 4.302 ( -1.123 0.000 2.427) 2.674 4.385 ( -1.548 0.000 -1.411) 2.095 4.650 ( -1.428 0.000 -1.823) 2.316 4.669 ( 2.283 0.000 -2.943) 3.725 4.721 ( 0.215 0.000 2.568) 2.577 4.780 ( -2.009 0.000 0.892) 2.198 4.965 ( -5.623 0.000 6.251) 8.408 5.009 ( -7.380 0.000 4.780) 8.793 5.180 ( -2.651 0.000 -1.532) 3.062 5.209 ( -5.296 0.000 -5.115) 7.363 5.922 ( 1.018 0.000 5.411) 5.506 6.035 ( 0.292 0.000 1.848) 1.871 6.036 ( -0.013 0.000 1.099) 1.099 6.045 ( 0.337 0.000 0.886) 0.948 6.055 ( 0.716 0.000 0.367) 0.804 6.065 ( 0.112 0.000 -0.101) 0.151 6.160 ( 2.185 0.000 -1.164) 2.475 6.171 ( -1.850 0.000 -3.367) 3.842 6.764 ( -3.500 0.000 5.311) 6.360 6.944 ( -3.755 0.000 -4.014) 5.496 7.102 ( -3.727 0.000 1.239) 3.928 7.218 ( -4.208 0.000 0.022) 4.208 7.246 ( -0.974 0.000 1.431) 1.731 7.335 ( 0.901 0.000 -1.737) 1.956 7.344 ( -1.267 0.000 2.453) 2.761 7.493 ( -0.091 0.000 -3.660) 3.661 7.978 ( 3.641 0.000 -0.396) 3.662 8.021 ( 0.144 0.000 1.429) 1.437 8.107 ( -0.561 0.000 -0.586) 0.811 8.257 ( -1.735 0.000 -6.329) 6.562 8.542 ( -0.591 0.000 2.312) 2.387 8.617 ( -1.469 0.000 -1.995) 2.478 8.651 ( -3.151 0.000 0.604) 3.209 8.743 ( -2.596 0.000 -3.075) 4.024 ======================= Grid point 84 (34/50) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.957 0.000 5.462) 6.744 0.952 ( 3.027 0.000 4.291) 5.251 1.019 ( 1.266 0.000 2.247) 2.579 1.041 ( 0.354 0.000 1.559) 1.599 1.185 ( 0.835 0.000 0.598) 1.027 1.194 ( 3.902 0.000 -5.913) 7.084 1.234 ( -2.184 0.000 -2.310) 3.179 1.330 ( -2.877 0.000 -4.110) 5.017 1.549 ( 3.216 0.000 -1.855) 3.713 1.581 ( 0.879 0.000 -3.606) 3.711 1.774 ( -3.886 0.000 -1.395) 4.129 1.816 ( -2.415 0.000 1.784) 3.002 1.842 ( -1.910 0.000 5.275) 5.610 1.870 ( -1.755 0.000 0.047) 1.756 1.880 ( -7.377 0.000 -6.405) 9.770 2.026 ( -2.087 0.000 5.413) 5.801 2.154 ( -2.231 0.000 0.429) 2.272 2.157 ( 0.490 0.000 1.335) 1.422 2.196 ( -6.306 0.000 -6.468) 9.034 2.241 ( -2.433 0.000 2.318) 3.361 2.387 ( 1.342 0.000 -1.328) 1.888 2.482 ( 2.232 0.000 -5.550) 5.982 2.486 ( -2.814 0.000 -1.763) 3.321 2.544 ( -0.752 0.000 -2.573) 2.680 2.692 ( 4.663 0.000 0.137) 4.665 2.796 ( 2.534 0.000 -2.690) 3.696 2.839 ( -2.539 0.000 -0.710) 2.637 2.895 ( -1.561 0.000 -4.847) 5.093 3.215 ( 4.328 0.000 5.303) 6.845 3.344 ( -1.408 0.000 5.163) 5.352 3.366 ( 2.997 0.000 -3.271) 4.436 3.454 ( 0.720 0.000 0.801) 1.077 3.549 ( 8.225 0.000 6.463) 10.461 3.600 ( 12.613 0.000 9.654) 15.884 3.857 ( -2.536 0.000 4.508) 5.172 3.968 ( 0.616 0.000 -2.287) 2.368 4.215 ( 2.810 0.000 -1.304) 3.098 4.224 ( 2.553 0.000 -0.986) 2.736 4.284 ( -0.658 0.000 2.150) 2.248 4.349 ( -2.146 0.000 -1.221) 2.469 4.635 ( 0.007 0.000 -0.759) 0.759 4.703 ( 0.019 0.000 0.270) 0.271 4.712 ( -0.681 0.000 1.896) 2.014 4.713 ( -3.995 0.000 4.063) 5.698 4.905 ( 0.876 0.000 -0.817) 1.198 4.914 ( -1.313 0.000 -0.396) 1.372 5.080 ( -7.056 0.000 -5.803) 9.136 5.099 ( -5.187 0.000 -5.015) 7.215 5.960 ( 2.569 0.000 5.116) 5.725 6.035 ( -0.401 0.000 2.278) 2.313 6.037 ( 0.230 0.000 1.246) 1.267 6.048 ( -0.062 0.000 0.494) 0.498 6.072 ( 0.979 0.000 0.389) 1.053 6.078 ( 1.036 0.000 1.132) 1.534 6.134 ( -1.733 0.000 -1.243) 2.133 6.155 ( -2.314 0.000 0.540) 2.377 6.774 ( 4.275 0.000 1.642) 4.579 6.897 ( -0.568 0.000 -4.222) 4.260 7.011 ( -4.898 0.000 -0.084) 4.899 7.080 ( -8.440 0.000 -1.362) 8.550 7.247 ( 0.780 0.000 3.639) 3.721 7.310 ( -1.882 0.000 4.170) 4.575 7.371 ( 2.472 0.000 -2.129) 3.262 7.474 ( -1.812 0.000 -3.093) 3.585 8.034 ( 1.117 0.000 0.510) 1.228 8.070 ( 4.930 0.000 -4.005) 6.352 8.088 ( -1.223 0.000 -0.943) 1.545 8.220 ( -2.221 0.000 -6.415) 6.789 8.537 ( 0.141 0.000 1.999) 2.004 8.591 ( -2.616 0.000 1.806) 3.179 8.604 ( 0.181 0.000 -1.686) 1.696 8.681 ( -3.199 0.000 -2.356) 3.973 ======================= Grid point 85 (35/50) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -4.462 0.000 2.099) 4.931 0.991 ( 4.462 0.000 2.099) 4.931 1.010 ( -2.153 0.000 2.833) 3.558 1.010 ( 2.153 0.000 2.833) 3.558 1.207 ( -1.030 0.000 -1.179) 1.566 1.207 ( 1.030 0.000 -1.179) 1.566 1.268 ( -3.330 0.000 -7.048) 7.795 1.268 ( 3.330 0.000 -7.048) 7.795 1.648 ( -5.698 0.000 -1.931) 6.016 1.648 ( 5.698 0.000 -1.931) 6.016 1.670 ( -8.489 0.000 -3.073) 9.028 1.670 ( 8.489 0.000 -3.073) 9.028 1.826 ( -0.836 0.000 1.460) 1.682 1.826 ( 0.836 0.000 1.460) 1.682 1.940 ( -5.635 0.000 -0.435) 5.652 1.940 ( 5.635 0.000 -0.435) 5.652 2.130 ( -0.892 0.000 0.360) 0.962 2.130 ( 0.892 0.000 0.360) 0.962 2.190 ( -2.426 0.000 2.294) 3.338 2.190 ( 2.426 0.000 2.294) 3.338 2.430 ( -2.635 0.000 -1.702) 3.137 2.430 ( 2.635 0.000 -1.702) 3.137 2.522 ( -1.599 0.000 -4.339) 4.624 2.522 ( 1.599 0.000 -4.339) 4.624 2.775 ( -3.651 0.000 -0.065) 3.652 2.775 ( 3.651 0.000 -0.065) 3.652 2.850 ( -2.680 0.000 -3.396) 4.326 2.850 ( 2.680 0.000 -3.396) 4.326 3.293 ( -3.375 0.000 5.070) 6.091 3.293 ( 3.375 0.000 5.070) 6.091 3.422 ( -2.505 0.000 -2.131) 3.288 3.422 ( 2.505 0.000 -2.131) 3.288 3.738 ( -8.638 0.000 8.274) 11.961 3.738 ( 8.638 0.000 8.274) 11.961 3.850 ( -10.781 0.000 6.717) 12.702 3.850 ( 10.781 0.000 6.717) 12.702 4.265 ( -1.462 0.000 0.978) 1.758 4.265 ( 1.462 0.000 0.978) 1.758 4.291 ( -3.742 0.000 -1.794) 4.150 4.291 ( 3.742 0.000 -1.794) 4.150 4.653 ( -1.872 0.000 1.304) 2.281 4.653 ( 1.872 0.000 1.304) 2.281 4.697 ( -0.358 0.000 2.523) 2.549 4.697 ( 0.358 0.000 2.523) 2.549 4.953 ( -4.781 0.000 -4.340) 6.457 4.953 ( 4.781 0.000 -4.340) 6.457 4.985 ( -5.718 0.000 -6.396) 8.579 4.985 ( 5.718 0.000 -6.396) 8.579 6.012 ( -2.109 0.000 3.954) 4.481 6.012 ( 2.109 0.000 3.954) 4.481 6.044 ( -0.314 0.000 0.806) 0.865 6.044 ( 0.314 0.000 0.806) 0.865 6.102 ( -2.235 0.000 0.818) 2.380 6.102 ( 2.235 0.000 0.818) 2.380 6.103 ( -1.394 0.000 0.693) 1.557 6.103 ( 1.394 0.000 0.693) 1.557 6.907 ( -8.205 0.000 -0.798) 8.244 6.907 ( 8.205 0.000 -0.798) 8.244 6.925 ( -3.180 0.000 -2.513) 4.053 6.925 ( 3.180 0.000 -2.513) 4.053 7.273 ( -1.676 0.000 4.224) 4.544 7.273 ( 1.676 0.000 4.224) 4.544 7.426 ( -2.758 0.000 -2.602) 3.791 7.426 ( 2.758 0.000 -2.602) 3.791 8.061 ( -1.412 0.000 -0.362) 1.458 8.061 ( 1.412 0.000 -0.362) 1.458 8.160 ( -3.816 0.000 -5.869) 7.001 8.160 ( 3.816 0.000 -5.869) 7.001 8.551 ( -1.301 0.000 2.066) 2.441 8.551 ( 1.301 0.000 2.066) 2.441 8.626 ( -2.031 0.000 -1.784) 2.703 8.626 ( 2.031 0.000 -1.784) 2.703 ======================= Grid point 90 (36/50) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 -0.970 7.103) 7.169 0.753 ( 0.000 -3.028 8.985) 9.481 0.907 ( 0.000 1.199 0.105) 1.204 0.919 ( 0.000 0.781 4.039) 4.114 1.249 ( 0.000 1.529 2.409) 2.854 1.258 ( 0.000 0.836 3.705) 3.799 1.329 ( 0.000 0.041 3.648) 3.649 1.337 ( 0.000 -0.373 1.142) 1.201 1.725 ( 0.000 -0.569 1.949) 2.031 1.738 ( 0.000 -1.541 4.931) 5.166 1.817 ( 0.000 2.524 -3.762) 4.530 1.831 ( 0.000 1.346 -0.525) 1.445 2.028 ( 0.000 1.387 5.284) 5.463 2.080 ( 0.000 -3.007 4.190) 5.157 2.090 ( 0.000 6.561 5.938) 8.849 2.149 ( 0.000 2.836 2.598) 3.846 2.202 ( 0.000 -3.830 -6.195) 7.283 2.239 ( 0.000 1.661 4.668) 4.955 2.262 ( 0.000 -3.423 5.039) 6.092 2.322 ( 0.000 -7.174 8.618) 11.213 2.422 ( 0.000 5.340 -4.712) 7.122 2.425 ( 0.000 0.272 3.015) 3.028 2.476 ( 0.000 2.481 -0.585) 2.550 2.657 ( 0.000 -5.196 -9.320) 10.671 2.684 ( 0.000 -4.936 0.601) 4.973 2.700 ( 0.000 -1.251 -1.794) 2.187 2.757 ( 0.000 6.282 -0.735) 6.325 2.877 ( 0.000 -4.240 -6.427) 7.700 3.174 ( 0.000 -0.282 0.766) 0.816 3.177 ( 0.000 2.098 -4.133) 4.635 3.276 ( 0.000 2.150 -3.086) 3.762 3.283 ( 0.000 4.582 -5.233) 6.956 3.338 ( 0.000 3.537 -0.460) 3.566 3.470 ( 0.000 -2.055 -4.751) 5.177 3.500 ( 0.000 -4.117 -7.977) 8.977 3.501 ( 0.000 -6.376 -8.209) 10.394 4.186 ( 0.000 5.057 1.502) 5.275 4.213 ( 0.000 6.601 0.582) 6.626 4.288 ( 0.000 -3.823 1.723) 4.193 4.351 ( 0.000 -5.694 -0.778) 5.747 4.661 ( 0.000 1.032 2.226) 2.454 4.685 ( 0.000 -0.877 1.511) 1.747 4.746 ( 0.000 3.909 -2.167) 4.470 4.798 ( 0.000 -0.770 -4.547) 4.612 5.185 ( 0.000 0.850 3.797) 3.891 5.189 ( 0.000 2.584 2.587) 3.656 5.222 ( 0.000 -2.199 2.297) 3.180 5.250 ( 0.000 -2.446 0.046) 2.446 5.968 ( 0.000 0.925 3.272) 3.400 5.985 ( 0.000 -0.514 4.199) 4.230 6.024 ( 0.000 -0.342 0.427) 0.547 6.028 ( 0.000 -0.683 0.682) 0.965 6.038 ( 0.000 0.146 0.996) 1.007 6.043 ( 0.000 -0.167 1.318) 1.329 6.125 ( 0.000 2.806 -2.749) 3.928 6.183 ( 0.000 -2.293 -3.529) 4.208 7.016 ( 0.000 2.051 5.033) 5.435 7.060 ( 0.000 -1.668 2.206) 2.766 7.151 ( 0.000 0.388 -2.622) 2.650 7.175 ( 0.000 -2.038 -3.000) 3.627 7.303 ( 0.000 0.404 2.025) 2.065 7.311 ( 0.000 -0.288 2.021) 2.042 7.396 ( 0.000 2.743 -3.041) 4.096 7.445 ( 0.000 -1.670 -4.903) 5.180 7.982 ( 0.000 3.249 3.550) 4.812 8.054 ( 0.000 -3.023 4.426) 5.360 8.097 ( 0.000 4.325 -1.052) 4.451 8.222 ( 0.000 -6.879 -2.696) 7.388 8.635 ( 0.000 4.088 0.109) 4.089 8.701 ( 0.000 -2.218 -1.465) 2.659 8.724 ( 0.000 1.221 -3.040) 3.276 8.746 ( 0.000 -0.547 -3.130) 3.178 ======================= Grid point 91 (37/50) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 2.513 -1.430 7.697) 8.223 0.809 ( 4.381 -1.866 7.522) 8.902 0.920 ( 1.368 1.204 1.708) 2.498 0.947 ( 2.512 0.487 3.638) 4.448 1.169 ( -3.193 1.527 0.560) 3.583 1.273 ( -2.585 -0.176 6.143) 6.667 1.314 ( -1.550 0.020 -2.375) 2.837 1.377 ( 3.171 1.470 2.740) 4.441 1.570 ( -7.163 -2.622 2.882) 8.154 1.689 ( -6.496 0.510 -3.696) 7.491 1.819 ( 0.609 -0.268 5.476) 5.517 1.928 ( 3.800 5.223 0.005) 6.459 1.996 ( -2.338 1.389 4.528) 5.282 2.038 ( -3.098 2.101 -0.847) 3.837 2.063 ( -3.521 -0.427 4.323) 5.591 2.133 ( -0.513 -1.287 2.049) 2.473 2.198 ( 1.128 1.876 7.191) 7.517 2.241 ( -3.106 -0.649 -1.006) 3.329 2.253 ( -2.149 -1.364 0.133) 2.549 2.319 ( 1.643 -6.764 3.417) 7.754 2.376 ( -1.147 1.065 -2.112) 2.629 2.431 ( -1.852 -0.821 -3.133) 3.731 2.529 ( 2.225 0.925 -3.370) 4.143 2.613 ( -2.449 -0.343 -0.292) 2.490 2.668 ( 0.315 0.339 -5.715) 5.734 2.756 ( 0.956 1.857 -4.318) 4.797 2.783 ( 3.545 -0.912 1.068) 3.813 2.850 ( -1.846 -4.750 -5.426) 7.444 3.113 ( -2.907 0.849 0.413) 3.057 3.196 ( 3.569 1.432 3.379) 5.119 3.278 ( 0.759 1.931 -1.212) 2.403 3.319 ( 2.044 0.614 -0.328) 2.159 3.366 ( 2.597 4.046 -0.069) 4.809 3.459 ( 0.750 -3.176 -3.082) 4.488 3.601 ( 8.017 -3.300 -9.643) 12.967 3.657 ( 11.598 -2.586 -9.981) 15.518 4.199 ( 0.972 4.297 1.125) 4.547 4.212 ( 0.003 6.434 0.753) 6.478 4.287 ( -0.194 -3.209 1.846) 3.708 4.347 ( -0.432 -5.386 -0.618) 5.439 4.660 ( 0.192 0.814 0.312) 0.893 4.691 ( -0.042 0.328 1.251) 1.294 4.724 ( -1.490 1.383 -1.262) 2.393 4.793 ( -0.679 -0.331 -2.848) 2.947 5.105 ( -5.330 1.751 5.242) 7.678 5.142 ( -6.098 -1.594 4.424) 7.700 5.213 ( -0.287 1.093 0.578) 1.269 5.254 ( -0.999 -2.010 -1.869) 2.921 5.927 ( -1.344 0.201 5.485) 5.651 6.016 ( 0.465 -0.400 1.680) 1.789 6.031 ( 0.366 -0.327 0.601) 0.776 6.034 ( 0.579 -0.204 0.445) 0.758 6.039 ( 0.196 0.083 0.773) 0.801 6.084 ( 3.238 0.039 0.705) 3.314 6.115 ( -0.068 2.233 -1.575) 2.734 6.180 ( -0.575 -1.684 -4.200) 4.561 6.892 ( -7.748 0.278 5.566) 9.544 7.039 ( -4.882 0.897 -2.668) 5.635 7.123 ( 0.433 -1.698 1.885) 2.574 7.227 ( 1.151 -0.582 -0.177) 1.303 7.278 ( -1.594 0.036 -0.124) 1.599 7.328 ( 0.517 -0.144 3.093) 3.140 7.382 ( -0.672 1.620 -4.623) 4.945 7.474 ( 1.720 -0.405 -3.890) 4.272 7.966 ( -0.790 1.861 3.523) 4.062 8.038 ( -0.706 -0.530 3.735) 3.838 8.116 ( 0.823 2.480 -1.920) 3.242 8.219 ( -0.240 -5.485 -3.772) 6.661 8.604 ( -2.685 2.715 0.414) 3.840 8.664 ( -2.773 0.239 -2.125) 3.502 8.686 ( -1.566 -1.554 -0.364) 2.236 8.778 ( 0.201 0.422 -3.741) 3.770 ======================= Grid point 92 (38/50) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 4.675 -0.349 6.160) 7.741 0.900 ( 4.064 -0.587 6.792) 7.937 0.954 ( 1.824 1.147 3.399) 4.024 1.009 ( 3.287 -0.311 4.172) 5.321 1.144 ( 0.867 0.778 -3.480) 3.669 1.202 ( -3.460 0.640 3.981) 5.313 1.268 ( -2.880 -1.036 -4.621) 5.543 1.375 ( -3.382 -0.633 1.250) 3.661 1.513 ( 1.385 -0.812 -0.680) 1.743 1.590 ( -2.872 -0.413 -4.743) 5.560 1.786 ( -2.709 -0.495 5.566) 6.210 1.905 ( -4.686 2.707 1.965) 5.757 1.956 ( -2.779 3.652 3.300) 5.653 2.006 ( -2.268 1.229 -0.709) 2.675 2.009 ( -0.899 2.792 -0.535) 2.981 2.089 ( -5.968 0.136 5.059) 7.825 2.139 ( 0.311 -2.994 1.618) 3.417 2.208 ( -1.510 1.946 2.280) 3.357 2.245 ( -5.711 -3.211 -9.554) 11.585 2.285 ( -0.723 -0.354 -0.936) 1.234 2.368 ( 0.374 -2.482 1.210) 2.787 2.417 ( 2.165 -5.002 -2.293) 5.913 2.547 ( -1.938 1.837 -3.551) 4.443 2.569 ( -0.825 0.558 -3.838) 3.965 2.667 ( -0.057 6.590 -2.663) 7.108 2.776 ( 0.392 0.996 -2.706) 2.910 2.825 ( 0.539 -6.362 -4.820) 8.000 2.840 ( 0.851 -2.091 -1.289) 2.600 3.115 ( 2.890 -0.213 5.680) 6.377 3.299 ( 3.384 -0.373 4.757) 5.850 3.318 ( 3.374 -0.291 1.084) 3.556 3.366 ( 4.021 1.300 3.446) 5.453 3.447 ( 4.423 2.398 1.952) 5.396 3.500 ( 4.950 0.911 1.805) 5.347 3.776 ( 8.638 -2.710 -8.237) 12.239 3.884 ( 9.488 0.561 -7.773) 12.278 4.200 ( -0.745 3.363 1.736) 3.857 4.222 ( 0.417 3.556 0.387) 3.601 4.277 ( -0.633 -2.062 1.805) 2.813 4.332 ( -0.978 -4.598 -0.521) 4.729 4.664 ( -1.668 1.099 -1.449) 2.467 4.679 ( 1.486 0.620 -2.061) 2.615 4.711 ( -0.275 -0.981 2.238) 2.459 4.770 ( -1.636 -0.390 -0.043) 1.683 4.981 ( -6.521 0.876 6.920) 9.548 5.008 ( -6.208 -0.045 3.343) 7.051 5.170 ( -4.074 -0.563 -3.256) 5.246 5.208 ( -3.477 -0.089 -3.138) 4.684 5.924 ( 0.996 0.116 5.610) 5.699 6.024 ( 0.438 -0.427 1.999) 2.090 6.035 ( 0.202 -0.040 1.187) 1.205 6.042 ( 0.291 -0.178 0.733) 0.808 6.051 ( 0.794 -0.149 0.369) 0.888 6.094 ( -0.279 1.480 0.382) 1.554 6.151 ( -0.831 -0.637 -3.478) 3.632 6.170 ( 1.352 -0.043 -1.895) 2.328 6.766 ( -3.639 0.112 5.369) 6.487 6.944 ( -3.976 0.033 -4.182) 5.770 7.093 ( -3.427 -0.515 1.986) 3.994 7.221 ( -3.982 0.151 -0.033) 3.985 7.240 ( -0.244 -0.287 0.287) 0.474 7.328 ( -0.498 -0.199 3.664) 3.703 7.361 ( -0.910 0.737 -2.679) 2.924 7.493 ( -0.001 0.002 -3.397) 3.397 7.983 ( 2.689 0.346 0.630) 2.784 8.036 ( 0.515 0.710 2.593) 2.737 8.115 ( -0.743 1.192 -3.482) 3.754 8.213 ( -0.381 -3.055 -4.990) 5.864 8.558 ( -1.547 0.855 1.242) 2.160 8.621 ( -1.532 0.311 -1.878) 2.443 8.642 ( -2.621 -0.642 1.077) 2.906 8.748 ( -2.802 0.282 -3.168) 4.239 ======================= Grid point 93 (39/50) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 5.289 1.237 3.016) 6.213 0.953 ( 1.546 1.086 5.690) 5.996 0.990 ( 1.233 -0.708 3.576) 3.848 1.057 ( 0.852 -0.488 3.788) 3.913 1.163 ( -0.403 -0.821 -0.405) 1.000 1.181 ( 1.314 -1.405 -5.266) 5.606 1.220 ( -0.541 -0.536 -5.532) 5.584 1.306 ( -3.019 -1.359 -3.634) 4.916 1.555 ( 1.969 -0.709 -3.621) 4.183 1.591 ( 3.648 1.730 -3.363) 5.255 1.721 ( -4.325 -1.695 1.866) 5.007 1.833 ( -2.090 0.250 1.973) 2.885 1.877 ( -7.797 1.472 -0.305) 7.941 1.885 ( -3.392 1.378 1.923) 4.136 1.982 ( -2.535 6.053 -4.531) 7.974 2.033 ( -1.669 0.506 4.644) 4.960 2.121 ( -2.954 -4.444 -3.792) 6.547 2.132 ( -1.461 -0.890 2.998) 3.452 2.200 ( 0.014 2.442 -0.967) 2.627 2.263 ( -1.687 0.636 -1.464) 2.322 2.394 ( 1.982 0.870 1.034) 2.399 2.458 ( 1.075 -2.219 -2.243) 3.334 2.508 ( -0.849 -0.146 -1.827) 2.020 2.555 ( -1.052 0.425 -3.910) 4.071 2.682 ( 1.626 2.563 -1.413) 3.348 2.765 ( -1.538 -3.927 -0.506) 4.248 2.830 ( 0.585 0.144 -3.784) 3.832 2.857 ( 0.301 -2.561 -4.230) 4.954 3.190 ( 3.939 -1.146 5.732) 7.048 3.313 ( -1.300 -1.414 4.745) 5.119 3.368 ( 2.323 -0.155 -2.941) 3.751 3.431 ( 0.141 -1.586 -0.382) 1.638 3.577 ( 10.040 2.183 8.280) 13.195 3.685 ( 11.274 4.860 9.855) 15.743 3.907 ( 2.207 1.744 -0.203) 2.820 3.969 ( -1.475 0.364 0.288) 1.546 4.210 ( 2.662 -0.683 -1.011) 2.928 4.216 ( -0.658 0.887 0.437) 1.188 4.264 ( -0.918 -1.363 0.956) 1.901 4.309 ( -1.348 -3.031 -0.948) 3.450 4.638 ( -0.703 0.219 0.118) 0.746 4.694 ( -2.093 -0.622 3.401) 4.042 4.709 ( 0.679 0.270 -1.308) 1.499 4.724 ( -2.093 0.246 2.268) 3.096 4.895 ( -0.683 -0.216 0.803) 1.076 4.933 ( -0.365 0.757 -1.677) 1.876 5.062 ( -6.228 -0.741 -5.274) 8.194 5.115 ( -5.631 0.592 -5.304) 7.758 5.962 ( 2.574 0.116 5.335) 5.925 6.029 ( -0.088 -0.192 2.555) 2.564 6.041 ( 0.443 0.307 1.243) 1.355 6.049 ( 0.362 -0.182 0.800) 0.897 6.068 ( 0.976 -0.223 0.262) 1.034 6.091 ( 0.068 0.988 1.012) 1.416 6.122 ( -1.400 -0.762 -1.564) 2.233 6.160 ( -2.589 0.194 0.295) 2.613 6.773 ( 4.164 -0.027 1.684) 4.492 6.896 ( -0.497 -0.029 -4.246) 4.275 7.003 ( -5.009 -0.404 0.320) 5.035 7.087 ( -8.278 0.360 -1.899) 8.501 7.248 ( 0.806 0.039 3.425) 3.518 7.305 ( -1.581 -0.250 4.451) 4.730 7.375 ( 2.067 0.230 -2.307) 3.106 7.474 ( -1.834 0.012 -3.012) 3.527 8.044 ( 1.801 0.664 -0.207) 1.931 8.061 ( 2.144 -0.560 -0.586) 2.292 8.103 ( 0.307 0.988 -4.093) 4.222 8.197 ( -1.425 -1.521 -5.619) 5.993 8.542 ( -0.128 0.258 1.636) 1.662 8.588 ( -2.337 -0.104 1.951) 3.046 8.606 ( 0.054 0.120 -1.730) 1.735 8.683 ( -3.298 0.105 -2.317) 4.032 ======================= Grid point 94 (40/50) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.378 -0.549 3.672) 3.960 0.981 ( 1.378 -0.549 3.672) 3.960 1.031 ( -3.323 1.482 1.804) 4.061 1.031 ( 3.323 1.482 1.804) 4.061 1.172 ( -0.951 -2.317 -1.949) 3.174 1.172 ( 0.951 -2.317 -1.949) 3.174 1.255 ( -2.285 -0.652 -7.420) 7.792 1.255 ( 2.285 -0.652 -7.420) 7.792 1.620 ( -4.729 -1.237 -1.478) 5.107 1.620 ( 4.729 -1.237 -1.478) 5.107 1.710 ( -7.512 2.178 -3.941) 8.758 1.710 ( 7.512 2.178 -3.941) 8.758 1.836 ( -1.326 0.253 3.297) 3.563 1.836 ( 1.326 0.253 3.297) 3.563 1.978 ( -2.296 2.129 -2.032) 3.732 1.978 ( 2.296 2.129 -2.032) 3.732 2.107 ( -0.954 -1.299 2.994) 3.400 2.107 ( 0.954 -1.299 2.994) 3.400 2.225 ( -1.933 2.181 -1.117) 3.121 2.225 ( 1.933 2.181 -1.117) 3.121 2.438 ( -2.144 1.215 -0.611) 2.539 2.438 ( 2.144 1.215 -0.611) 2.539 2.527 ( -1.656 -0.987 -2.625) 3.257 2.527 ( 1.656 -0.987 -2.625) 3.257 2.724 ( -2.315 -2.346 -0.507) 3.335 2.724 ( 2.315 -2.346 -0.507) 3.335 2.848 ( -0.920 -0.502 -4.038) 4.172 2.848 ( 0.920 -0.502 -4.038) 4.172 3.264 ( -3.271 -1.419 5.107) 6.228 3.264 ( 3.271 -1.419 5.107) 6.228 3.410 ( -1.778 -0.789 -2.554) 3.211 3.410 ( 1.778 -0.789 -2.554) 3.211 3.789 ( -9.717 2.938 9.054) 13.602 3.789 ( 9.717 2.938 9.054) 13.602 3.895 ( -7.369 2.679 6.997) 10.509 3.895 ( 7.369 2.679 6.997) 10.509 4.228 ( -1.821 -2.410 -0.263) 3.032 4.228 ( 1.821 -2.410 -0.263) 3.032 4.274 ( -2.326 -1.026 -1.546) 2.976 4.274 ( 2.326 -1.026 -1.546) 2.976 4.644 ( -1.529 -0.399 2.657) 3.091 4.644 ( 1.529 -0.399 2.657) 3.091 4.709 ( -0.223 0.568 0.948) 1.127 4.709 ( 0.223 0.568 0.948) 1.127 4.944 ( -4.798 -0.395 -4.188) 6.381 4.944 ( 4.798 -0.395 -4.188) 6.381 4.996 ( -5.555 0.541 -6.291) 8.410 4.996 ( 5.555 0.541 -6.291) 8.410 6.012 ( -1.857 0.025 4.203) 4.595 6.012 ( 1.857 0.025 4.203) 4.595 6.050 ( -0.306 0.377 0.765) 0.906 6.050 ( 0.306 0.377 0.765) 0.906 6.097 ( -1.276 -0.201 0.768) 1.503 6.097 ( 1.276 -0.201 0.768) 1.503 6.103 ( -1.303 -0.071 0.560) 1.420 6.103 ( 1.303 -0.071 0.560) 1.420 6.897 ( -6.553 -0.419 -0.807) 6.616 6.897 ( 6.553 -0.419 -0.807) 6.616 6.933 ( -4.854 0.365 -2.587) 5.513 6.933 ( 4.854 0.365 -2.587) 5.513 7.272 ( -1.551 -0.036 4.244) 4.519 7.272 ( 1.551 -0.036 4.244) 4.519 7.426 ( -2.692 0.026 -2.643) 3.773 7.426 ( 2.692 0.026 -2.643) 3.773 8.066 ( -0.798 0.350 -0.556) 1.034 8.066 ( 0.798 0.350 -0.556) 1.034 8.152 ( -3.006 -0.498 -5.504) 6.291 8.152 ( 3.006 -0.498 -5.504) 6.291 8.552 ( -1.168 0.059 1.977) 2.297 8.552 ( 1.168 0.059 1.977) 2.297 8.627 ( -1.998 0.072 -1.793) 2.686 8.627 ( 1.998 0.072 -1.793) 2.686 ======================= Grid point 108 (41/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 0.000 -3.310) 3.310 0.843 ( 0.000 0.000 3.310) 3.310 0.942 ( 0.000 0.000 -1.941) 1.941 0.942 ( 0.000 0.000 1.941) 1.941 1.272 ( 0.000 0.000 -4.365) 4.365 1.272 ( 0.000 0.000 4.365) 4.365 1.336 ( 0.000 0.000 -3.690) 3.690 1.336 ( 0.000 0.000 3.690) 3.690 1.728 ( 0.000 0.000 -0.604) 0.604 1.728 ( 0.000 0.000 0.604) 0.604 1.822 ( 0.000 0.000 -0.036) 0.036 1.822 ( 0.000 0.000 0.036) 0.036 2.111 ( 0.000 0.000 -5.956) 5.956 2.111 ( 0.000 0.000 5.956) 5.956 2.125 ( 0.000 0.000 -3.801) 3.801 2.125 ( 0.000 0.000 3.801) 3.801 2.194 ( 0.000 0.000 -3.097) 3.097 2.194 ( 0.000 0.000 3.097) 3.097 2.405 ( 0.000 0.000 -5.166) 5.166 2.405 ( 0.000 0.000 5.166) 5.166 2.406 ( 0.000 0.000 -10.242) 10.242 2.406 ( 0.000 0.000 10.242) 10.242 2.574 ( 0.000 0.000 -8.131) 8.131 2.574 ( 0.000 0.000 8.131) 8.131 2.703 ( 0.000 0.000 -1.524) 1.524 2.703 ( 0.000 0.000 1.524) 1.524 2.805 ( 0.000 0.000 -1.727) 1.727 2.805 ( 0.000 0.000 1.727) 1.727 3.053 ( 0.000 0.000 -2.558) 2.558 3.053 ( 0.000 0.000 2.558) 2.558 3.197 ( 0.000 0.000 -0.604) 0.604 3.197 ( 0.000 0.000 0.604) 0.604 3.448 ( 0.000 0.000 -3.321) 3.321 3.448 ( 0.000 0.000 3.321) 3.321 3.468 ( 0.000 0.000 -0.619) 0.619 3.468 ( 0.000 0.000 0.619) 0.619 4.139 ( 0.000 0.000 -0.006) 0.006 4.139 ( 0.000 0.000 0.006) 0.006 4.373 ( 0.000 0.000 -2.544) 2.544 4.373 ( 0.000 0.000 2.544) 2.544 4.694 ( 0.000 0.000 -0.826) 0.826 4.694 ( 0.000 0.000 0.826) 0.826 4.706 ( 0.000 0.000 -4.017) 4.017 4.706 ( 0.000 0.000 4.017) 4.017 5.234 ( 0.000 0.000 -2.695) 2.695 5.234 ( 0.000 0.000 2.695) 2.695 5.246 ( 0.000 0.000 -2.592) 2.592 5.246 ( 0.000 0.000 2.592) 2.592 6.012 ( 0.000 0.000 -2.385) 2.385 6.012 ( 0.000 0.000 2.385) 2.385 6.038 ( 0.000 0.000 -0.719) 0.719 6.038 ( 0.000 0.000 0.719) 0.719 6.053 ( 0.000 0.000 -0.782) 0.782 6.053 ( 0.000 0.000 0.782) 0.782 6.120 ( 0.000 0.000 -5.213) 5.213 6.120 ( 0.000 0.000 5.213) 5.213 7.088 ( 0.000 0.000 -3.812) 3.812 7.088 ( 0.000 0.000 3.812) 3.812 7.122 ( 0.000 0.000 -3.602) 3.602 7.122 ( 0.000 0.000 3.602) 3.602 7.336 ( 0.000 0.000 -1.613) 1.613 7.336 ( 0.000 0.000 1.613) 1.613 7.370 ( 0.000 0.000 -3.970) 3.970 7.370 ( 0.000 0.000 3.970) 3.970 8.008 ( 0.000 0.000 -3.145) 3.145 8.008 ( 0.000 0.000 3.145) 3.145 8.198 ( 0.000 0.000 -6.179) 6.179 8.198 ( 0.000 0.000 6.179) 6.179 8.643 ( 0.000 0.000 -3.839) 3.839 8.643 ( 0.000 0.000 3.839) 3.839 8.714 ( 0.000 0.000 -0.611) 0.611 8.714 ( 0.000 0.000 0.611) 0.611 ======================= Grid point 110 (42/50) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.189 0.000 -3.114) 4.457 0.877 ( 3.189 0.000 3.114) 4.457 0.967 ( 2.263 0.000 -1.323) 2.621 0.967 ( 2.263 0.000 1.323) 2.621 1.208 ( -4.752 0.000 -6.534) 8.080 1.208 ( -4.752 0.000 6.534) 8.080 1.354 ( 0.363 0.000 -0.765) 0.847 1.354 ( 0.363 0.000 0.765) 0.847 1.639 ( -5.854 0.000 -0.638) 5.889 1.639 ( -5.854 0.000 0.638) 5.889 1.862 ( 1.154 0.000 -1.220) 1.680 1.862 ( 1.154 0.000 1.220) 1.680 2.026 ( -4.327 0.000 -0.010) 4.327 2.026 ( -4.327 0.000 0.010) 4.327 2.172 ( 1.002 0.000 -0.567) 1.151 2.172 ( 1.002 0.000 0.567) 1.151 2.218 ( 0.961 0.000 -3.276) 3.414 2.218 ( 0.961 0.000 3.276) 3.414 2.290 ( -6.602 0.000 -12.077) 13.764 2.290 ( -6.602 0.000 12.077) 13.764 2.420 ( -1.726 0.000 -4.075) 4.425 2.420 ( -1.726 0.000 4.075) 4.425 2.561 ( -0.893 0.000 -5.244) 5.320 2.561 ( -0.893 0.000 5.244) 5.320 2.648 ( -2.454 0.000 -3.697) 4.437 2.648 ( -2.454 0.000 3.697) 4.437 2.847 ( 1.773 0.000 -0.936) 2.005 2.847 ( 1.773 0.000 0.936) 2.005 3.119 ( 5.814 0.000 -3.289) 6.680 3.119 ( 5.814 0.000 3.289) 6.680 3.247 ( 4.779 0.000 -1.050) 4.893 3.247 ( 4.779 0.000 1.050) 4.893 3.458 ( 1.171 0.000 -2.159) 2.456 3.458 ( 1.171 0.000 2.159) 2.456 3.562 ( 8.252 0.000 -2.043) 8.502 3.562 ( 8.252 0.000 2.043) 8.502 4.148 ( 0.895 0.000 -0.428) 0.992 4.148 ( 0.895 0.000 0.428) 0.992 4.368 ( -0.615 0.000 -2.451) 2.527 4.368 ( -0.615 0.000 2.451) 2.527 4.654 ( -1.857 0.000 -1.441) 2.350 4.654 ( -1.857 0.000 1.441) 2.350 4.744 ( 1.634 0.000 -2.413) 2.914 4.744 ( 1.634 0.000 2.413) 2.914 5.194 ( -3.802 0.000 -4.345) 5.774 5.194 ( -3.802 0.000 4.345) 5.774 5.217 ( -3.013 0.000 -0.053) 3.013 5.217 ( -3.013 0.000 0.053) 3.013 6.014 ( 0.122 0.000 -3.303) 3.305 6.014 ( 0.122 0.000 3.303) 3.305 6.045 ( 0.580 0.000 -0.209) 0.617 6.045 ( 0.580 0.000 0.209) 0.617 6.052 ( -0.043 0.000 -0.662) 0.664 6.052 ( -0.043 0.000 0.662) 0.664 6.123 ( 0.408 0.000 -3.233) 3.258 6.123 ( 0.408 0.000 3.233) 3.258 6.977 ( -6.526 0.000 -3.524) 7.417 6.977 ( -6.526 0.000 3.524) 7.417 7.187 ( 1.871 0.000 -3.604) 4.061 7.187 ( 1.871 0.000 3.604) 4.061 7.303 ( -1.820 0.000 -2.222) 2.872 7.303 ( -1.820 0.000 2.222) 2.872 7.397 ( 1.453 0.000 -3.886) 4.149 7.397 ( 1.453 0.000 3.886) 4.149 8.003 ( -0.366 0.000 -3.113) 3.135 8.003 ( -0.366 0.000 3.113) 3.135 8.182 ( -1.388 0.000 -5.432) 5.607 8.182 ( -1.388 0.000 5.432) 5.607 8.614 ( -2.018 0.000 -2.575) 3.271 8.614 ( -2.018 0.000 2.575) 3.271 8.715 ( -0.529 0.000 -1.994) 2.063 8.715 ( -0.529 0.000 1.994) 2.063 ======================= Grid point 112 (43/50) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 4.357 0.000 -2.639) 5.094 0.957 ( 4.357 0.000 2.639) 5.094 1.016 ( 1.824 0.000 -0.716) 1.959 1.016 ( 1.824 0.000 0.716) 1.959 1.122 ( -2.713 0.000 -5.773) 6.378 1.122 ( -2.713 0.000 5.773) 6.378 1.329 ( -2.942 0.000 -3.699) 4.726 1.329 ( -2.942 0.000 3.699) 4.726 1.547 ( -2.807 0.000 -1.104) 3.016 1.547 ( -2.807 0.000 1.104) 3.016 1.838 ( -2.600 0.000 -3.861) 4.655 1.838 ( -2.600 0.000 3.861) 4.655 1.958 ( -3.685 0.000 -3.072) 4.797 1.958 ( -3.685 0.000 3.072) 4.797 2.107 ( -6.381 0.000 -10.667) 12.430 2.107 ( -6.381 0.000 10.667) 12.430 2.173 ( -3.395 0.000 -1.678) 3.787 2.173 ( -3.395 0.000 1.678) 3.787 2.250 ( 0.189 0.000 -1.810) 1.820 2.250 ( 0.189 0.000 1.810) 1.820 2.377 ( -0.574 0.000 -0.781) 0.969 2.377 ( -0.574 0.000 0.781) 0.969 2.542 ( -1.932 0.000 -1.291) 2.323 2.542 ( -1.932 0.000 1.291) 2.323 2.654 ( 2.982 0.000 -5.807) 6.528 2.654 ( 2.982 0.000 5.807) 6.528 2.860 ( -0.261 0.000 -0.244) 0.357 2.860 ( -0.261 0.000 0.244) 0.357 3.222 ( 4.111 0.000 -4.519) 6.109 3.222 ( 4.111 0.000 4.519) 6.109 3.389 ( 6.893 0.000 -0.833) 6.943 3.389 ( 6.893 0.000 0.833) 6.943 3.496 ( 4.125 0.000 -0.005) 4.125 3.496 ( 4.125 0.000 0.005) 4.125 3.756 ( 9.900 0.000 -1.782) 10.059 3.756 ( 9.900 0.000 1.782) 10.059 4.172 ( 1.363 0.000 -0.757) 1.559 4.172 ( 1.363 0.000 0.757) 1.559 4.348 ( -1.255 0.000 -2.290) 2.612 4.348 ( -1.255 0.000 2.290) 2.612 4.633 ( -0.045 0.000 -0.428) 0.431 4.633 ( -0.045 0.000 0.428) 0.431 4.762 ( 0.077 0.000 -1.764) 1.765 4.762 ( 0.077 0.000 1.764) 1.765 5.089 ( -6.392 0.000 -4.745) 7.961 5.089 ( -6.392 0.000 4.745) 7.961 5.124 ( -6.107 0.000 -3.048) 6.826 5.124 ( -6.107 0.000 3.048) 6.826 6.019 ( 0.473 0.000 -3.979) 4.007 6.019 ( 0.473 0.000 3.979) 4.007 6.051 ( 0.064 0.000 -0.184) 0.195 6.051 ( 0.064 0.000 0.184) 0.195 6.061 ( 0.812 0.000 -0.394) 0.902 6.061 ( 0.812 0.000 0.394) 0.902 6.137 ( 0.777 0.000 -0.568) 0.963 6.137 ( 0.777 0.000 0.568) 0.963 6.861 ( -4.404 0.000 -4.631) 6.391 6.861 ( -4.404 0.000 4.631) 6.391 7.161 ( -4.348 0.000 -4.180) 6.031 7.161 ( -4.348 0.000 4.180) 6.031 7.290 ( 0.607 0.000 -2.677) 2.745 7.290 ( 0.607 0.000 2.677) 2.745 7.413 ( -0.024 0.000 -4.308) 4.308 7.413 ( -0.024 0.000 4.308) 4.308 8.003 ( 0.696 0.000 -2.222) 2.328 8.003 ( 0.696 0.000 2.222) 2.328 8.151 ( -1.522 0.000 -4.535) 4.784 8.151 ( -1.522 0.000 4.535) 4.784 8.581 ( -1.122 0.000 -1.818) 2.137 8.581 ( -1.122 0.000 1.818) 2.137 8.685 ( -2.289 0.000 -2.696) 3.536 8.685 ( -2.289 0.000 2.696) 3.536 ======================= Grid point 114 (44/50) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.107 0.000 -1.003) 1.009 1.022 ( 0.107 0.000 1.003) 1.009 1.032 ( 2.332 0.000 -3.955) 4.591 1.032 ( 2.332 0.000 3.955) 4.591 1.126 ( 2.050 0.000 -3.239) 3.833 1.126 ( 2.050 0.000 3.239) 3.833 1.248 ( -4.516 0.000 -3.312) 5.600 1.248 ( -4.516 0.000 3.312) 5.600 1.537 ( 2.062 0.000 -0.783) 2.205 1.537 ( 2.062 0.000 0.783) 2.205 1.783 ( -5.459 0.000 -2.780) 6.126 1.783 ( -5.459 0.000 2.780) 6.126 1.856 ( -2.541 0.000 -1.735) 3.076 1.856 ( -2.541 0.000 1.735) 3.076 1.986 ( -5.455 0.000 -8.571) 10.159 1.986 ( -5.455 0.000 8.571) 10.159 2.146 ( 0.807 0.000 -3.141) 3.243 2.146 ( 0.807 0.000 3.141) 3.243 2.231 ( -2.009 0.000 -3.148) 3.734 2.231 ( -2.009 0.000 3.148) 3.734 2.398 ( 2.019 0.000 -2.797) 3.449 2.398 ( 2.019 0.000 2.797) 3.449 2.494 ( -2.547 0.000 -2.288) 3.424 2.494 ( -2.547 0.000 2.288) 3.424 2.728 ( 3.783 0.000 -3.428) 5.105 2.728 ( 3.783 0.000 3.428) 5.105 2.841 ( -1.591 0.000 -1.111) 1.941 2.841 ( -1.591 0.000 1.111) 1.941 3.300 ( 3.767 0.000 -3.716) 5.292 3.300 ( 3.767 0.000 3.716) 5.292 3.422 ( -1.473 0.000 -2.972) 3.317 3.422 ( -1.473 0.000 2.972) 3.317 3.678 ( 10.989 0.000 -3.369) 11.494 3.678 ( 10.989 0.000 3.369) 11.494 3.909 ( 3.681 0.000 -1.682) 4.047 3.909 ( 3.681 0.000 1.682) 4.047 4.206 ( 2.508 0.000 -0.336) 2.531 4.206 ( 2.508 0.000 0.336) 2.531 4.321 ( -1.528 0.000 -1.693) 2.281 4.321 ( -1.528 0.000 1.693) 2.281 4.653 ( 1.984 0.000 -2.711) 3.359 4.653 ( 1.984 0.000 2.711) 3.359 4.748 ( -1.432 0.000 -0.771) 1.626 4.748 ( -1.432 0.000 0.771) 1.626 4.960 ( -5.542 0.000 -2.858) 6.236 4.960 ( -5.542 0.000 2.858) 6.236 4.989 ( -6.593 0.000 -3.687) 7.554 4.989 ( -6.593 0.000 3.687) 7.554 6.035 ( 1.006 0.000 -2.337) 2.544 6.035 ( 1.006 0.000 2.337) 2.544 6.052 ( 0.046 0.000 -0.201) 0.206 6.052 ( 0.046 0.000 0.201) 0.206 6.080 ( 1.146 0.000 -0.640) 1.313 6.080 ( 1.146 0.000 0.640) 1.313 6.140 ( -0.689 0.000 -1.628) 1.767 6.140 ( -0.689 0.000 1.628) 1.767 6.824 ( 1.063 0.000 -3.323) 3.489 6.824 ( 1.063 0.000 3.323) 3.489 7.038 ( -7.181 0.000 -2.400) 7.572 7.038 ( -7.181 0.000 2.400) 7.572 7.316 ( 1.776 0.000 -3.386) 3.824 7.316 ( 1.776 0.000 3.386) 3.824 7.396 ( -1.552 0.000 -4.577) 4.833 7.396 ( -1.552 0.000 4.577) 4.833 8.033 ( 2.116 0.000 -0.159) 2.122 8.033 ( 2.116 0.000 0.159) 2.122 8.120 ( -1.716 0.000 -3.862) 4.226 8.120 ( -1.716 0.000 3.862) 4.226 8.572 ( 0.202 0.000 -1.660) 1.673 8.572 ( 0.202 0.000 1.660) 1.673 8.633 ( -2.573 0.000 -2.474) 3.569 8.633 ( -2.573 0.000 2.474) 3.569 ======================= Grid point 116 (45/50) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.187 0.000 -1.368) 1.811 1.040 ( 1.187 0.000 -1.368) 1.811 1.040 ( -1.187 0.000 1.368) 1.811 1.040 ( 1.187 0.000 1.368) 1.811 1.173 ( -2.725 0.000 -0.412) 2.756 1.173 ( -2.725 0.000 0.412) 2.756 1.173 ( 2.725 0.000 -0.412) 2.756 1.173 ( 2.726 0.000 0.412) 2.757 1.631 ( -7.026 0.000 -0.482) 7.043 1.631 ( -7.026 0.000 0.482) 7.043 1.631 ( 7.026 0.000 -0.482) 7.043 1.631 ( 7.026 0.000 0.482) 7.043 1.890 ( -3.890 0.000 -3.912) 5.517 1.890 ( 3.890 0.000 -3.912) 5.517 1.890 ( -3.890 0.000 3.912) 5.517 1.890 ( 3.890 0.000 3.912) 5.517 2.183 ( -2.440 0.000 -3.082) 3.930 2.183 ( 2.440 0.000 -3.082) 3.930 2.183 ( -2.440 0.000 3.082) 3.930 2.183 ( 2.440 0.000 3.082) 3.930 2.444 ( -2.440 0.000 -3.163) 3.995 2.444 ( 2.440 0.000 -3.163) 3.995 2.444 ( -2.440 0.000 3.163) 3.995 2.444 ( 2.440 0.000 3.163) 3.995 2.796 ( -2.851 0.000 -2.099) 3.541 2.796 ( 2.851 0.000 -2.099) 3.541 2.796 ( -2.851 0.000 2.099) 3.541 2.796 ( 2.851 0.000 2.099) 3.541 3.372 ( -3.241 0.000 -3.200) 4.554 3.372 ( 3.241 0.000 -3.200) 4.554 3.372 ( -3.241 0.000 3.200) 4.554 3.372 ( 3.241 0.000 3.200) 4.554 3.869 ( -6.917 0.000 -4.185) 8.085 3.869 ( 6.917 0.000 -4.185) 8.085 3.869 ( -6.917 0.000 4.185) 8.085 3.869 ( 6.917 0.000 4.185) 8.085 4.274 ( -3.364 0.000 -0.178) 3.369 4.274 ( -3.364 0.000 0.178) 3.369 4.274 ( 3.364 0.000 -0.178) 3.369 4.274 ( 3.364 0.000 0.178) 3.369 4.705 ( -2.734 0.000 -2.457) 3.676 4.705 ( 2.734 0.000 -2.457) 3.676 4.705 ( -2.734 0.000 2.457) 3.676 4.705 ( 2.734 0.000 2.457) 3.676 4.904 ( -0.771 0.000 -0.417) 0.876 4.904 ( 0.771 0.000 -0.417) 0.876 4.904 ( -0.771 0.000 0.417) 0.876 4.904 ( 0.771 0.000 0.417) 0.877 6.050 ( -0.382 0.000 -0.398) 0.552 6.050 ( 0.382 0.000 -0.398) 0.552 6.050 ( -0.382 0.000 0.398) 0.552 6.050 ( 0.382 0.000 0.398) 0.552 6.111 ( -1.861 0.000 -0.014) 1.862 6.111 ( -1.861 0.000 0.014) 1.862 6.111 ( 1.861 0.000 -0.014) 1.862 6.111 ( 1.862 0.000 0.014) 1.862 6.900 ( -5.971 0.000 -0.262) 5.977 6.900 ( -5.971 0.000 0.262) 5.977 6.900 ( 5.971 0.000 -0.262) 5.977 6.900 ( 5.971 0.000 0.262) 5.977 7.357 ( -2.172 0.000 -4.259) 4.781 7.357 ( 2.172 0.000 -4.259) 4.781 7.357 ( -2.172 0.000 4.259) 4.781 7.357 ( 2.172 0.000 4.259) 4.781 8.080 ( -2.288 0.000 -2.489) 3.381 8.080 ( 2.288 0.000 -2.489) 3.381 8.080 ( -2.288 0.000 2.489) 3.381 8.080 ( 2.288 0.000 2.489) 3.381 8.590 ( -1.598 0.000 -1.966) 2.534 8.590 ( 1.598 0.000 -1.966) 2.534 8.590 ( -1.598 0.000 1.966) 2.534 8.590 ( 1.598 0.000 1.966) 2.534 ======================= Grid point 126 (46/50) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 1.393 -4.982) 5.173 0.857 ( 0.000 1.393 4.982) 5.173 0.903 ( 0.000 -2.722 -5.431) 6.075 0.903 ( 0.000 -2.722 5.431) 6.075 1.305 ( 0.000 2.081 -3.209) 3.825 1.305 ( 0.000 2.081 3.209) 3.825 1.333 ( 0.000 -0.512 -2.880) 2.925 1.333 ( 0.000 -0.512 2.880) 2.925 1.759 ( 0.000 2.462 -2.080) 3.223 1.759 ( 0.000 2.462 2.080) 3.223 1.806 ( 0.000 -1.591 -2.106) 2.639 1.806 ( 0.000 -1.591 2.106) 2.639 2.097 ( 0.000 -0.727 -1.103) 1.321 2.097 ( 0.000 -0.727 1.103) 1.321 2.100 ( 0.000 -0.701 -3.698) 3.764 2.100 ( 0.000 -0.701 3.698) 3.764 2.290 ( 0.000 6.734 -2.479) 7.175 2.290 ( 0.000 6.734 2.479) 7.175 2.398 ( 0.000 -1.511 -6.653) 6.823 2.398 ( 0.000 -1.511 6.653) 6.823 2.413 ( 0.000 1.045 -6.302) 6.388 2.413 ( 0.000 1.045 6.302) 6.388 2.490 ( 0.000 -6.757 -8.041) 10.503 2.490 ( 0.000 -6.757 8.041) 10.503 2.714 ( 0.000 0.767 -3.177) 3.268 2.714 ( 0.000 0.767 3.177) 3.268 2.739 ( 0.000 -2.327 -6.031) 6.465 2.739 ( 0.000 -2.327 6.031) 6.465 3.173 ( 0.000 6.368 -3.948) 7.493 3.173 ( 0.000 6.368 3.948) 7.493 3.210 ( 0.000 1.109 -3.475) 3.648 3.210 ( 0.000 1.109 3.475) 3.648 3.390 ( 0.000 -3.101 -3.696) 4.824 3.390 ( 0.000 -3.101 3.696) 4.824 3.417 ( 0.000 -4.060 -0.535) 4.095 3.417 ( 0.000 -4.060 0.535) 4.095 4.210 ( 0.000 5.536 -0.830) 5.598 4.210 ( 0.000 5.536 0.830) 5.598 4.323 ( 0.000 -4.403 -1.837) 4.771 4.323 ( 0.000 -4.403 1.837) 4.771 4.713 ( 0.000 1.043 -1.415) 1.758 4.713 ( 0.000 1.043 1.415) 1.758 4.717 ( 0.000 0.576 -3.590) 3.636 4.717 ( 0.000 0.576 3.590) 3.636 5.230 ( 0.000 -0.145 -1.239) 1.248 5.230 ( 0.000 -0.145 1.239) 1.248 5.236 ( 0.000 -0.680 -1.681) 1.813 5.236 ( 0.000 -0.680 1.681) 1.813 6.020 ( 0.000 0.619 -1.309) 1.448 6.020 ( 0.000 0.619 1.309) 1.448 6.033 ( 0.000 -0.507 -0.503) 0.714 6.033 ( 0.000 -0.507 0.503) 0.714 6.069 ( 0.000 1.355 -2.627) 2.956 6.069 ( 0.000 1.355 2.627) 2.956 6.102 ( 0.000 -1.497 -4.596) 4.833 6.102 ( 0.000 -1.497 4.596) 4.833 7.095 ( 0.000 0.630 -3.348) 3.407 7.095 ( 0.000 0.630 3.348) 3.407 7.112 ( 0.000 -0.815 -3.181) 3.284 7.112 ( 0.000 -0.815 3.181) 3.284 7.346 ( 0.000 0.852 -2.385) 2.532 7.346 ( 0.000 0.852 2.385) 2.532 7.363 ( 0.000 -0.625 -3.502) 3.557 7.363 ( 0.000 -0.625 3.502) 3.557 8.051 ( 0.000 3.789 -3.355) 5.061 8.051 ( 0.000 3.789 3.355) 5.061 8.145 ( 0.000 -4.340 -4.735) 6.423 8.145 ( 0.000 -4.340 4.735) 6.423 8.667 ( 0.000 1.820 -2.653) 3.217 8.667 ( 0.000 1.820 2.653) 3.217 8.701 ( 0.000 -1.207 -1.341) 1.804 8.701 ( 0.000 -1.207 1.341) 1.804 ======================= Grid point 128 (47/50) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.926 0.933 -4.889) 5.773 0.887 ( 2.926 0.933 4.889) 5.773 0.936 ( 3.019 -2.032 -4.703) 5.946 0.936 ( 3.019 -2.032 4.703) 5.946 1.221 ( -5.304 0.720 -5.061) 7.367 1.221 ( -5.304 0.720 5.061) 7.367 1.372 ( 0.867 0.949 -3.458) 3.689 1.372 ( 0.867 0.949 3.458) 3.689 1.624 ( -7.430 -0.759 -2.812) 7.980 1.624 ( -7.430 -0.759 2.812) 7.980 1.903 ( 3.802 2.312 -2.703) 5.206 1.903 ( 3.802 2.312 2.703) 5.206 2.034 ( -4.031 0.937 -0.489) 4.167 2.034 ( -4.031 0.937 0.489) 4.167 2.131 ( 0.497 -2.255 -4.078) 4.686 2.131 ( 0.497 -2.255 4.078) 4.686 2.255 ( -4.344 1.993 -4.977) 6.900 2.255 ( -4.344 1.993 4.977) 6.900 2.298 ( -4.674 0.405 -3.435) 5.814 2.298 ( -4.674 0.405 3.435) 5.814 2.421 ( -1.717 0.184 -7.798) 7.987 2.421 ( -1.717 0.184 7.798) 7.987 2.491 ( 0.848 -4.617 -9.516) 10.611 2.491 ( 0.848 -4.617 9.516) 10.611 2.674 ( -1.029 1.781 -3.362) 3.941 2.674 ( -1.029 1.781 3.362) 3.941 2.796 ( 2.016 -2.470 -0.560) 3.237 2.796 ( 2.016 -2.470 0.560) 3.237 3.184 ( 1.913 2.758 -5.671) 6.590 3.184 ( 1.913 2.758 5.671) 6.590 3.299 ( 6.676 3.910 -3.424) 8.461 3.299 ( 6.676 3.910 3.424) 8.461 3.412 ( 2.309 -1.766 -2.608) 3.906 3.412 ( 2.309 -1.766 2.608) 3.906 3.504 ( 8.328 -4.762 -3.474) 10.202 3.504 ( 8.328 -4.762 3.474) 10.202 4.215 ( 0.429 5.203 -0.440) 5.239 4.215 ( 0.429 5.203 0.440) 5.239 4.322 ( -0.180 -4.006 -1.724) 4.365 4.322 ( -0.180 -4.006 1.724) 4.365 4.676 ( -1.764 1.398 -1.385) 2.643 4.676 ( -1.764 1.398 1.385) 2.643 4.742 ( 0.834 -0.218 -2.119) 2.288 4.742 ( 0.834 -0.218 2.119) 2.288 5.186 ( -3.814 -0.438 -3.295) 5.059 5.186 ( -3.814 -0.438 3.295) 5.059 5.215 ( -2.667 -0.179 -2.203) 3.464 5.215 ( -2.667 -0.179 2.203) 3.464 6.021 ( 0.087 0.600 -2.371) 2.447 6.021 ( 0.087 0.600 2.371) 2.447 6.037 ( 0.417 -0.596 -0.061) 0.730 6.037 ( 0.417 -0.596 0.061) 0.730 6.064 ( -0.344 0.748 -2.957) 3.070 6.064 ( -0.344 0.748 2.957) 3.070 6.112 ( 0.937 -0.768 -2.060) 2.390 6.112 ( 0.937 -0.768 2.060) 2.390 6.979 ( -6.512 0.091 -3.652) 7.467 6.979 ( -6.512 0.091 3.652) 7.467 7.181 ( 1.777 -0.338 -3.613) 4.041 7.181 ( 1.777 -0.338 3.613) 4.041 7.308 ( -1.851 0.252 -2.853) 3.410 7.308 ( -1.851 0.252 2.853) 3.410 7.398 ( 1.567 0.046 -3.881) 4.186 7.398 ( 1.567 0.046 3.881) 4.186 8.040 ( -0.933 3.100 -3.644) 4.874 8.040 ( -0.933 3.100 3.644) 4.874 8.136 ( -0.679 -3.570 -4.320) 5.645 8.136 ( -0.679 -3.570 4.320) 5.645 8.626 ( -2.533 0.678 -1.641) 3.093 8.626 ( -2.533 0.678 1.641) 3.093 8.712 ( -0.190 -0.169 -2.776) 2.788 8.712 ( -0.190 -0.169 2.776) 2.788 ======================= Grid point 130 (48/50) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.336 0.674 -4.646) 6.390 0.964 ( 4.336 0.674 4.646) 6.390 1.008 ( 3.709 -0.959 -3.638) 5.284 1.008 ( 3.709 -0.959 3.638) 5.284 1.120 ( -4.292 0.283 -4.038) 5.899 1.120 ( -4.292 0.283 4.038) 5.899 1.338 ( -4.590 0.259 -5.583) 7.232 1.338 ( -4.590 0.259 5.583) 7.232 1.520 ( -2.067 -1.331 -1.857) 3.081 1.520 ( -2.067 -1.331 1.857) 3.081 1.900 ( -4.087 3.287 -4.677) 7.027 1.900 ( -4.087 3.287 4.677) 7.027 1.970 ( -2.672 2.271 -1.600) 3.854 1.970 ( -2.672 2.271 1.600) 3.854 2.070 ( -5.203 -3.852 -7.110) 9.616 2.070 ( -5.203 -3.852 7.110) 9.616 2.190 ( -2.380 1.967 -3.849) 4.934 2.190 ( -2.380 1.967 3.849) 4.934 2.234 ( -1.355 -1.442 -3.047) 3.633 2.234 ( -1.355 -1.442 3.047) 3.633 2.400 ( 0.377 1.675 -4.446) 4.766 2.400 ( 0.377 1.675 4.446) 4.766 2.502 ( -0.286 -3.154 -3.720) 4.885 2.502 ( -0.286 -3.154 3.720) 4.885 2.683 ( 1.703 2.507 -4.043) 5.053 2.683 ( 1.703 2.507 4.043) 5.053 2.811 ( -0.198 -3.221 -1.488) 3.553 2.811 ( -0.198 -3.221 1.488) 3.553 3.231 ( 2.645 0.734 -5.465) 6.115 3.231 ( 2.645 0.734 5.465) 6.115 3.392 ( 1.426 -1.613 -2.318) 3.164 3.392 ( 1.426 -1.613 2.318) 3.164 3.531 ( 9.809 4.656 -6.218) 12.512 3.531 ( 9.809 4.656 6.218) 12.512 3.716 ( 11.592 -3.587 -7.139) 14.078 3.716 ( 11.592 -3.587 7.139) 14.078 4.221 ( -0.026 4.235 -0.541) 4.270 4.221 ( -0.026 4.235 0.541) 4.270 4.311 ( -0.947 -3.420 -1.571) 3.881 4.311 ( -0.947 -3.420 1.571) 3.881 4.652 ( -0.473 1.230 -0.433) 1.387 4.652 ( -0.473 1.230 0.433) 1.387 4.747 ( -0.274 -0.987 -1.594) 1.895 4.747 ( -0.274 -0.987 1.594) 1.895 5.084 ( -6.035 -0.208 -4.686) 7.644 5.084 ( -6.035 -0.208 4.686) 7.644 5.127 ( -5.967 0.107 -5.511) 8.123 5.127 ( -5.967 0.107 5.511) 8.123 6.025 ( 0.429 0.472 -3.717) 3.771 6.025 ( 0.429 0.472 3.717) 3.771 6.047 ( 0.517 -0.476 -0.141) 0.717 6.047 ( 0.517 -0.476 0.141) 0.717 6.062 ( 0.217 0.204 -1.709) 1.735 6.062 ( 0.217 0.204 1.709) 1.735 6.134 ( 1.033 -0.157 -1.734) 2.025 6.134 ( 1.033 -0.157 1.734) 2.025 6.862 ( -4.452 0.072 -4.527) 6.350 6.862 ( -4.452 0.072 4.527) 6.350 7.157 ( -4.136 -0.241 -4.198) 5.898 7.157 ( -4.136 -0.241 4.198) 5.898 7.293 ( 0.439 0.135 -3.479) 3.509 7.293 ( 0.439 0.135 3.479) 3.509 7.414 ( -0.082 0.052 -4.529) 4.530 7.414 ( -0.082 0.052 4.529) 4.530 8.027 ( -0.030 1.701 -3.217) 3.639 8.027 ( -0.030 1.701 3.217) 3.639 8.123 ( -0.634 -1.999 -4.086) 4.592 8.123 ( -0.634 -1.999 4.086) 4.592 8.586 ( -1.355 0.259 -1.640) 2.143 8.586 ( -1.355 0.259 1.640) 2.143 8.685 ( -2.231 0.046 -3.063) 3.790 8.685 ( -2.231 0.046 3.063) 3.790 ======================= Grid point 132 (49/50) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.377 1.299 -5.208) 5.541 1.034 ( 1.377 1.299 5.208) 5.541 1.057 ( 1.145 1.619 -4.275) 4.713 1.057 ( 1.145 1.619 4.275) 4.713 1.088 ( 1.921 -2.606 -2.511) 4.098 1.088 ( 1.921 -2.606 2.511) 4.098 1.220 ( -5.961 -1.938 -4.643) 7.800 1.220 ( -5.961 -1.938 4.643) 7.800 1.535 ( 3.178 -0.049 -1.465) 3.500 1.535 ( 3.178 -0.049 1.465) 3.500 1.787 ( -7.140 0.034 -4.033) 8.201 1.787 ( -7.140 0.034 4.033) 8.201 1.907 ( -1.855 4.060 -2.304) 5.024 1.907 ( -1.855 4.060 2.304) 5.024 1.977 ( -4.148 -1.590 -5.855) 7.350 1.977 ( -4.148 -1.590 5.855) 7.350 2.164 ( 0.223 1.187 -3.790) 3.977 2.164 ( 0.223 1.187 3.790) 3.977 2.217 ( -1.230 -0.871 -3.722) 4.016 2.217 ( -1.230 -0.871 3.722) 4.016 2.424 ( 1.727 2.203 -2.318) 3.634 2.424 ( 1.727 2.203 2.318) 3.634 2.487 ( -1.068 -1.296 -1.059) 1.985 2.487 ( -1.068 -1.296 1.059) 1.985 2.726 ( 2.298 0.651 -4.893) 5.444 2.726 ( 2.298 0.651 4.893) 5.444 2.797 ( -1.081 -3.179 -2.563) 4.224 2.797 ( -1.081 -3.179 2.563) 4.224 3.289 ( 3.029 -0.376 -4.541) 5.472 3.289 ( 3.029 -0.376 4.541) 5.472 3.390 ( -1.290 -1.903 -3.029) 3.803 3.390 ( -1.290 -1.903 3.029) 3.803 3.745 ( 10.589 4.368 -6.790) 13.316 3.745 ( 10.589 4.368 6.790) 13.316 3.919 ( 6.892 -0.332 -5.252) 8.672 3.919 ( 6.892 -0.332 5.252) 8.672 4.210 ( -0.523 1.430 -0.801) 1.721 4.210 ( -0.523 1.430 0.801) 1.721 4.287 ( -1.527 -2.860 -1.259) 3.478 4.287 ( -1.527 -2.860 1.259) 3.478 4.661 ( 1.452 0.524 -2.443) 2.890 4.661 ( 1.452 0.524 2.443) 2.890 4.735 ( -0.924 -0.769 -1.131) 1.651 4.735 ( -0.924 -0.769 1.131) 1.651 4.963 ( -5.281 0.183 -3.675) 6.437 4.963 ( -5.281 0.183 3.675) 6.437 4.992 ( -6.641 0.164 -6.593) 9.360 4.992 ( -6.641 0.164 6.593) 9.360 6.041 ( 1.010 0.443 -2.174) 2.438 6.041 ( 1.010 0.443 2.174) 2.438 6.055 ( 0.194 0.058 -0.216) 0.296 6.055 ( 0.194 0.058 0.216) 0.296 6.074 ( 1.093 -0.328 -1.025) 1.534 6.074 ( 1.093 -0.328 1.025) 1.534 6.139 ( -0.739 -0.055 -2.061) 2.190 6.139 ( -0.739 -0.055 2.061) 2.190 6.824 ( 1.004 0.001 -3.311) 3.459 6.824 ( 1.004 0.001 3.311) 3.459 7.037 ( -7.121 -0.090 -2.737) 7.629 7.037 ( -7.121 -0.090 2.737) 7.629 7.316 ( 1.727 0.021 -3.541) 3.940 7.316 ( 1.727 0.021 3.541) 3.940 7.396 ( -1.578 -0.003 -4.704) 4.962 7.396 ( -1.578 -0.003 4.704) 4.962 8.043 ( 1.555 0.702 -1.182) 2.076 8.043 ( 1.555 0.702 1.182) 2.076 8.107 ( -1.043 -0.842 -3.519) 3.765 8.107 ( -1.043 -0.842 3.519) 3.765 8.573 ( 0.119 0.096 -1.651) 1.658 8.573 ( 0.119 0.096 1.651) 1.658 8.634 ( -2.591 0.054 -2.590) 3.664 8.634 ( -2.591 0.054 2.590) 3.664 ======================= Grid point 134 (50/50) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -1.509 1.489 -2.515) 3.290 1.058 ( 1.494 1.489 -2.514) 3.282 1.058 ( -1.494 1.489 2.514) 3.282 1.058 ( 1.509 1.489 2.515) 3.290 1.133 ( -2.399 -2.705 -2.695) 4.510 1.133 ( 2.036 -2.705 -2.662) 4.307 1.133 ( -2.036 -2.705 2.662) 4.307 1.133 ( 2.399 -2.705 2.695) 4.510 1.638 ( -6.816 0.344 -2.825) 7.387 1.638 ( 6.352 0.344 -2.702) 6.911 1.638 ( -6.352 0.344 2.702) 6.911 1.638 ( 6.816 0.344 2.825) 7.387 1.912 ( -1.688 1.283 -4.072) 4.592 1.912 ( 1.420 1.283 -4.061) 4.490 1.912 ( -1.420 1.283 4.061) 4.490 1.912 ( 1.688 1.283 4.072) 4.592 2.186 ( -1.583 0.118 -3.602) 3.936 2.186 ( 1.570 0.118 -3.602) 3.931 2.186 ( -1.570 0.118 3.602) 3.931 2.186 ( 1.583 0.118 3.602) 3.936 2.460 ( -1.332 1.056 -3.133) 3.565 2.460 ( 1.095 1.056 -3.123) 3.474 2.460 ( -1.095 1.056 3.123) 3.474 2.460 ( 1.332 1.056 3.133) 3.565 2.768 ( -1.780 -1.753 -4.044) 4.754 2.768 ( 1.753 -1.753 -4.043) 4.742 2.768 ( -1.753 -1.753 4.043) 4.742 2.768 ( 1.780 -1.753 4.044) 4.754 3.348 ( -2.663 -1.238 -3.748) 4.762 3.348 ( 2.605 -1.238 -3.744) 4.726 3.348 ( -2.605 -1.238 3.744) 4.726 3.348 ( 2.663 -1.238 3.748) 4.762 3.924 ( -5.730 3.317 -3.827) 7.648 3.924 ( 3.992 3.317 -3.574) 6.301 3.924 ( -3.992 3.317 3.574) 6.301 3.924 ( 5.730 3.317 3.827) 7.648 4.241 ( -2.926 -2.183 -1.653) 4.007 4.241 ( 2.349 -2.183 -1.547) 3.561 4.241 ( -2.349 -2.183 1.547) 3.561 4.241 ( 2.926 -2.183 1.653) 4.007 4.704 ( -2.272 -0.038 -2.333) 3.256 4.704 ( 2.272 -0.038 -2.333) 3.256 4.704 ( -2.272 -0.038 2.333) 3.256 4.704 ( 2.272 -0.038 2.333) 3.256 4.908 ( -0.642 0.190 -1.480) 1.624 4.908 ( 0.640 0.190 -1.479) 1.623 4.908 ( -0.640 0.190 1.479) 1.623 4.908 ( 0.642 0.190 1.480) 1.624 6.054 ( -0.226 0.283 -0.577) 0.682 6.054 ( 0.179 0.283 -0.575) 0.666 6.054 ( -0.179 0.283 0.575) 0.666 6.054 ( 0.226 0.283 0.577) 0.682 6.108 ( -2.041 -0.211 -0.169) 2.058 6.108 ( -2.036 -0.211 0.162) 2.053 6.108 ( 2.036 -0.211 -0.162) 2.053 6.108 ( 2.041 -0.211 0.169) 2.058 6.899 ( -5.940 -0.049 -1.002) 6.024 6.899 ( -5.928 -0.049 0.994) 6.011 6.899 ( 5.928 -0.049 -0.994) 6.011 6.899 ( 5.940 -0.049 1.002) 6.024 7.357 ( -2.162 -0.009 -4.285) 4.800 7.357 ( 2.161 -0.009 -4.285) 4.800 7.357 ( -2.161 -0.009 4.285) 4.800 7.357 ( 2.162 -0.009 4.285) 4.800 8.079 ( -1.735 -0.035 -2.084) 2.712 8.079 ( 1.728 -0.035 -2.083) 2.707 8.079 ( -1.728 -0.035 2.083) 2.707 8.079 ( 1.735 -0.035 2.084) 2.712 8.591 ( -1.583 0.045 -1.993) 2.546 8.591 ( 1.582 0.045 -1.993) 2.545 8.591 ( -1.582 0.045 1.993) 2.545 8.591 ( 1.583 0.045 1.993) 2.546 =================== 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 3/13824 10.0 42.296 39.047 72.027 0.000 0.000 -0.000 3/13824 20.0 10.602 8.489 19.007 0.000 0.000 -0.000 3/13824 30.0 5.007 3.773 8.905 0.000 0.000 -0.000 3/13824 40.0 3.088 2.259 5.436 0.000 0.000 -0.000 3/13824 50.0 2.190 1.570 3.820 0.000 0.000 -0.000 3/13824 60.0 1.691 1.194 2.926 0.000 0.000 -0.000 3/13824 70.0 1.381 0.963 2.371 0.000 0.000 -0.000 3/13824 80.0 1.171 0.808 1.997 0.000 0.000 -0.000 3/13824 90.0 1.019 0.697 1.729 0.000 0.000 -0.000 3/13824 100.0 0.905 0.614 1.528 0.000 0.000 -0.000 3/13824 110.0 0.816 0.550 1.371 0.000 0.000 -0.000 3/13824 120.0 0.744 0.499 1.245 0.000 0.000 -0.000 3/13824 130.0 0.684 0.456 1.141 0.000 0.000 -0.000 3/13824 140.0 0.634 0.421 1.054 0.000 0.000 -0.000 3/13824 150.0 0.591 0.391 0.980 0.000 0.000 -0.000 3/13824 160.0 0.554 0.365 0.916 0.000 0.000 -0.000 3/13824 170.0 0.521 0.343 0.860 0.000 0.000 -0.000 3/13824 180.0 0.493 0.323 0.811 0.000 0.000 -0.000 3/13824 190.0 0.467 0.306 0.767 0.000 0.000 -0.000 3/13824 200.0 0.444 0.290 0.728 0.000 0.000 -0.000 3/13824 210.0 0.423 0.276 0.693 0.000 0.000 -0.000 3/13824 220.0 0.404 0.263 0.661 0.000 0.000 -0.000 3/13824 230.0 0.387 0.251 0.632 0.000 0.000 -0.000 3/13824 240.0 0.371 0.241 0.606 0.000 0.000 -0.000 3/13824 250.0 0.356 0.231 0.581 0.000 0.000 -0.000 3/13824 260.0 0.343 0.222 0.559 0.000 0.000 -0.000 3/13824 270.0 0.331 0.214 0.538 0.000 0.000 -0.000 3/13824 280.0 0.319 0.206 0.519 0.000 0.000 -0.000 3/13824 290.0 0.308 0.199 0.501 0.000 0.000 -0.000 3/13824 300.0 0.298 0.192 0.484 0.000 0.000 -0.000 3/13824 310.0 0.289 0.186 0.469 0.000 0.000 -0.000 3/13824 320.0 0.280 0.180 0.454 0.000 0.000 -0.000 3/13824 330.0 0.272 0.175 0.440 0.000 0.000 -0.000 3/13824 340.0 0.264 0.170 0.428 0.000 0.000 -0.000 3/13824 350.0 0.256 0.165 0.415 0.000 0.000 -0.000 3/13824 360.0 0.249 0.160 0.404 0.000 0.000 -0.000 3/13824 370.0 0.243 0.156 0.393 0.000 0.000 -0.000 3/13824 380.0 0.237 0.152 0.383 0.000 0.000 -0.000 3/13824 390.0 0.231 0.148 0.373 0.000 0.000 -0.000 3/13824 400.0 0.225 0.144 0.364 0.000 0.000 -0.000 3/13824 410.0 0.220 0.141 0.355 0.000 0.000 -0.000 3/13824 420.0 0.214 0.137 0.346 0.000 0.000 -0.000 3/13824 430.0 0.209 0.134 0.338 0.000 0.000 -0.000 3/13824 440.0 0.205 0.131 0.331 0.000 0.000 -0.000 3/13824 450.0 0.200 0.128 0.323 0.000 0.000 -0.000 3/13824 460.0 0.196 0.125 0.316 0.000 0.000 -0.000 3/13824 470.0 0.192 0.123 0.310 0.000 0.000 -0.000 3/13824 480.0 0.188 0.120 0.303 0.000 0.000 -0.000 3/13824 490.0 0.184 0.118 0.297 0.000 0.000 -0.000 3/13824 500.0 0.181 0.115 0.291 0.000 0.000 -0.000 3/13824 510.0 0.177 0.113 0.286 0.000 0.000 -0.000 3/13824 520.0 0.174 0.111 0.280 0.000 0.000 -0.000 3/13824 530.0 0.171 0.109 0.275 0.000 0.000 -0.000 3/13824 540.0 0.167 0.107 0.270 0.000 0.000 -0.000 3/13824 550.0 0.164 0.105 0.265 0.000 0.000 -0.000 3/13824 560.0 0.162 0.103 0.260 0.000 0.000 -0.000 3/13824 570.0 0.159 0.101 0.256 0.000 0.000 -0.000 3/13824 580.0 0.156 0.100 0.251 0.000 0.000 -0.000 3/13824 590.0 0.153 0.098 0.247 0.000 0.000 -0.000 3/13824 600.0 0.151 0.096 0.243 0.000 0.000 -0.000 3/13824 610.0 0.149 0.095 0.239 0.000 0.000 -0.000 3/13824 620.0 0.146 0.093 0.235 0.000 0.000 -0.000 3/13824 630.0 0.144 0.092 0.231 0.000 0.000 -0.000 3/13824 640.0 0.142 0.090 0.228 0.000 0.000 -0.000 3/13824 650.0 0.139 0.089 0.224 0.000 0.000 -0.000 3/13824 660.0 0.137 0.088 0.221 0.000 0.000 -0.000 3/13824 670.0 0.135 0.086 0.218 0.000 0.000 -0.000 3/13824 680.0 0.133 0.085 0.215 0.000 0.000 -0.000 3/13824 690.0 0.132 0.084 0.211 0.000 0.000 -0.000 3/13824 700.0 0.130 0.083 0.208 0.000 0.000 -0.000 3/13824 710.0 0.128 0.081 0.206 0.000 0.000 -0.000 3/13824 720.0 0.126 0.080 0.203 0.000 0.000 -0.000 3/13824 730.0 0.124 0.079 0.200 0.000 0.000 -0.000 3/13824 740.0 0.123 0.078 0.197 0.000 0.000 -0.000 3/13824 750.0 0.121 0.077 0.195 0.000 0.000 -0.000 3/13824 760.0 0.120 0.076 0.192 0.000 0.000 -0.000 3/13824 770.0 0.118 0.075 0.190 0.000 0.000 -0.000 3/13824 780.0 0.117 0.074 0.187 0.000 0.000 -0.000 3/13824 790.0 0.115 0.073 0.185 0.000 0.000 -0.000 3/13824 800.0 0.114 0.072 0.183 0.000 0.000 -0.000 3/13824 810.0 0.112 0.071 0.180 0.000 0.000 -0.000 3/13824 820.0 0.111 0.071 0.178 0.000 0.000 -0.000 3/13824 830.0 0.110 0.070 0.176 0.000 0.000 -0.000 3/13824 840.0 0.108 0.069 0.174 0.000 0.000 -0.000 3/13824 850.0 0.107 0.068 0.172 0.000 0.000 -0.000 3/13824 860.0 0.106 0.067 0.170 0.000 0.000 -0.000 3/13824 870.0 0.105 0.067 0.168 0.000 0.000 -0.000 3/13824 880.0 0.103 0.066 0.166 0.000 0.000 -0.000 3/13824 890.0 0.102 0.065 0.164 0.000 0.000 -0.000 3/13824 900.0 0.101 0.064 0.162 0.000 0.000 -0.000 3/13824 910.0 0.100 0.064 0.161 0.000 0.000 -0.000 3/13824 920.0 0.099 0.063 0.159 0.000 0.000 -0.000 3/13824 930.0 0.098 0.062 0.157 0.000 0.000 -0.000 3/13824 940.0 0.097 0.062 0.155 0.000 0.000 -0.000 3/13824 950.0 0.096 0.061 0.154 0.000 0.000 -0.000 3/13824 960.0 0.095 0.060 0.152 0.000 0.000 -0.000 3/13824 970.0 0.094 0.060 0.151 0.000 0.000 -0.000 3/13824 980.0 0.093 0.059 0.149 0.000 0.000 -0.000 3/13824 990.0 0.092 0.058 0.148 0.000 0.000 -0.000 3/13824 1000.0 0.091 0.058 0.146 0.000 0.000 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m838.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:52:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|