----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:00:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] 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 5.218854910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.013948719999999 Atomic positions (fractional): *1 O 0.77858067446820 0.67459692847945 0.11482813827910 15.999 2 O 0.72141932553180 0.82540307152055 0.61482813827910 15.999 3 O 0.27858067446820 0.82540307152055 0.88517186172090 15.999 4 O 0.22141932553180 0.67459692847945 0.38517186172090 15.999 5 O 0.22141932553180 0.32540307152055 0.88517186172090 15.999 6 O 0.27858067446820 0.17459692847945 0.38517186172090 15.999 7 O 0.72141932553180 0.17459692847945 0.11482813827910 15.999 8 O 0.77858067446820 0.32540307152055 0.61482813827910 15.999 *9 O 0.79490240298551 0.54422641533995 0.57274443085092 15.999 10 O 0.70509759701449 0.95577358466005 0.07274443085092 15.999 11 O 0.29490240298551 0.95577358466005 0.42725556914908 15.999 12 O 0.20509759701449 0.54422641533995 0.92725556914908 15.999 13 O 0.20509759701449 0.45577358466005 0.42725556914908 15.999 14 O 0.29490240298551 0.04422641533995 0.92725556914908 15.999 15 O 0.70509759701449 0.04422641533995 0.57274443085092 15.999 16 O 0.79490240298551 0.45577358466005 0.07274443085092 15.999 *17 Ca 0.50000000000000 0.67007940229667 0.75000000000000 40.078 18 Ca 0.00000000000000 0.82992059770333 0.25000000000000 40.078 19 Ca 0.50000000000000 0.32992059770333 0.25000000000000 40.078 20 Ca 0.00000000000000 0.17007940229667 0.75000000000000 40.078 *21 Te 0.00000000000000 0.42746707409059 0.75000000000000 127.600 22 Te 0.50000000000000 0.07253292590940 0.25000000000000 127.600 23 Te 0.00000000000000 0.57253292590940 0.25000000000000 127.600 24 Te 0.50000000000000 0.92746707409060 0.75000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.218854910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.013948719999999 Atomic positions (fractional): *1 O 0.77858067446820 0.67459692847945 0.11482813827910 15.999 > 1 2 O 0.72141932553180 0.82540307152055 0.61482813827910 15.999 > 2 3 O 0.27858067446820 0.82540307152055 0.88517186172090 15.999 > 3 4 O 0.22141932553180 0.67459692847945 0.38517186172090 15.999 > 4 5 O 0.22141932553180 0.32540307152055 0.88517186172090 15.999 > 5 6 O 0.27858067446820 0.17459692847945 0.38517186172090 15.999 > 6 7 O 0.72141932553180 0.17459692847945 0.11482813827910 15.999 > 7 8 O 0.77858067446820 0.32540307152055 0.61482813827910 15.999 > 8 *9 O 0.79490240298551 0.54422641533995 0.57274443085092 15.999 > 9 10 O 0.70509759701449 0.95577358466005 0.07274443085092 15.999 > 10 11 O 0.29490240298551 0.95577358466005 0.42725556914908 15.999 > 11 12 O 0.20509759701449 0.54422641533995 0.92725556914908 15.999 > 12 13 O 0.20509759701449 0.45577358466005 0.42725556914908 15.999 > 13 14 O 0.29490240298551 0.04422641533995 0.92725556914908 15.999 > 14 15 O 0.70509759701449 0.04422641533995 0.57274443085092 15.999 > 15 16 O 0.79490240298551 0.45577358466005 0.07274443085092 15.999 > 16 *17 Ca 0.50000000000000 0.67007940229667 0.75000000000000 40.078 > 17 18 Ca 0.00000000000000 0.82992059770333 0.25000000000000 40.078 > 18 19 Ca 0.50000000000000 0.32992059770333 0.25000000000000 40.078 > 19 20 Ca 0.00000000000000 0.17007940229667 0.75000000000000 40.078 > 20 *21 Te 0.00000000000000 0.42746707409059 0.75000000000000 127.600 > 21 22 Te 0.50000000000000 0.07253292590940 0.25000000000000 127.600 > 22 23 Te 0.00000000000000 0.57253292590940 0.25000000000000 127.600 > 23 24 Te 0.50000000000000 0.92746707409060 0.75000000000000 127.600 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.437709820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.041846159999999 Atomic positions (fractional): *1 O 0.38929033723410 0.67459692847945 0.03827604609303 15.999 > 1 2 O 0.88929033723410 0.67459692847945 0.03827604609303 15.999 > 1 3 O 0.38929033723410 0.67459692847945 0.37160937942637 15.999 > 1 4 O 0.88929033723410 0.67459692847945 0.37160937942637 15.999 > 1 5 O 0.38929033723410 0.67459692847945 0.70494271275970 15.999 > 1 6 O 0.88929033723410 0.67459692847945 0.70494271275970 15.999 > 1 7 O 0.36070966276590 0.82540307152055 0.20494271275970 15.999 > 2 8 O 0.86070966276590 0.82540307152055 0.20494271275970 15.999 > 2 9 O 0.36070966276590 0.82540307152055 0.53827604609303 15.999 > 2 10 O 0.86070966276590 0.82540307152055 0.53827604609303 15.999 > 2 11 O 0.36070966276590 0.82540307152055 0.87160937942637 15.999 > 2 12 O 0.86070966276590 0.82540307152055 0.87160937942637 15.999 > 2 13 O 0.13929033723410 0.82540307152055 0.29505728724030 15.999 > 3 14 O 0.63929033723410 0.82540307152055 0.29505728724030 15.999 > 3 15 O 0.13929033723410 0.82540307152055 0.62839062057363 15.999 > 3 16 O 0.63929033723410 0.82540307152055 0.62839062057363 15.999 > 3 17 O 0.13929033723410 0.82540307152055 0.96172395390697 15.999 > 3 18 O 0.63929033723410 0.82540307152055 0.96172395390697 15.999 > 3 19 O 0.11070966276590 0.67459692847945 0.12839062057363 15.999 > 4 20 O 0.61070966276590 0.67459692847945 0.12839062057363 15.999 > 4 21 O 0.11070966276590 0.67459692847945 0.46172395390697 15.999 > 4 22 O 0.61070966276590 0.67459692847945 0.46172395390697 15.999 > 4 23 O 0.11070966276590 0.67459692847945 0.79505728724030 15.999 > 4 24 O 0.61070966276590 0.67459692847945 0.79505728724030 15.999 > 4 25 O 0.11070966276590 0.32540307152055 0.29505728724030 15.999 > 5 26 O 0.61070966276590 0.32540307152055 0.29505728724030 15.999 > 5 27 O 0.11070966276590 0.32540307152055 0.62839062057363 15.999 > 5 28 O 0.61070966276590 0.32540307152055 0.62839062057363 15.999 > 5 29 O 0.11070966276590 0.32540307152055 0.96172395390697 15.999 > 5 30 O 0.61070966276590 0.32540307152055 0.96172395390697 15.999 > 5 31 O 0.13929033723410 0.17459692847945 0.12839062057363 15.999 > 6 32 O 0.63929033723410 0.17459692847945 0.12839062057363 15.999 > 6 33 O 0.13929033723410 0.17459692847945 0.46172395390697 15.999 > 6 34 O 0.63929033723410 0.17459692847945 0.46172395390697 15.999 > 6 35 O 0.13929033723410 0.17459692847945 0.79505728724030 15.999 > 6 36 O 0.63929033723410 0.17459692847945 0.79505728724030 15.999 > 6 37 O 0.36070966276590 0.17459692847945 0.03827604609303 15.999 > 7 38 O 0.86070966276590 0.17459692847945 0.03827604609303 15.999 > 7 39 O 0.36070966276590 0.17459692847945 0.37160937942637 15.999 > 7 40 O 0.86070966276590 0.17459692847945 0.37160937942637 15.999 > 7 41 O 0.36070966276590 0.17459692847945 0.70494271275970 15.999 > 7 42 O 0.86070966276590 0.17459692847945 0.70494271275970 15.999 > 7 43 O 0.38929033723410 0.32540307152055 0.20494271275970 15.999 > 8 44 O 0.88929033723410 0.32540307152055 0.20494271275970 15.999 > 8 45 O 0.38929033723410 0.32540307152055 0.53827604609303 15.999 > 8 46 O 0.88929033723410 0.32540307152055 0.53827604609303 15.999 > 8 47 O 0.38929033723410 0.32540307152055 0.87160937942637 15.999 > 8 48 O 0.88929033723410 0.32540307152055 0.87160937942637 15.999 > 8 *49 O 0.39745120149276 0.54422641533995 0.19091481028364 15.999 > 9 50 O 0.89745120149276 0.54422641533995 0.19091481028364 15.999 > 9 51 O 0.39745120149276 0.54422641533995 0.52424814361697 15.999 > 9 52 O 0.89745120149276 0.54422641533995 0.52424814361697 15.999 > 9 53 O 0.39745120149276 0.54422641533995 0.85758147695031 15.999 > 9 54 O 0.89745120149276 0.54422641533995 0.85758147695031 15.999 > 9 55 O 0.35254879850724 0.95577358466005 0.02424814361697 15.999 > 10 56 O 0.85254879850724 0.95577358466005 0.02424814361697 15.999 > 10 57 O 0.35254879850724 0.95577358466005 0.35758147695031 15.999 > 10 58 O 0.85254879850724 0.95577358466005 0.35758147695031 15.999 > 10 59 O 0.35254879850724 0.95577358466005 0.69091481028364 15.999 > 10 60 O 0.85254879850724 0.95577358466005 0.69091481028364 15.999 > 10 61 O 0.14745120149276 0.95577358466005 0.14241852304969 15.999 > 11 62 O 0.64745120149276 0.95577358466005 0.14241852304969 15.999 > 11 63 O 0.14745120149276 0.95577358466005 0.47575185638303 15.999 > 11 64 O 0.64745120149276 0.95577358466005 0.47575185638303 15.999 > 11 65 O 0.14745120149276 0.95577358466005 0.80908518971636 15.999 > 11 66 O 0.64745120149276 0.95577358466005 0.80908518971636 15.999 > 11 67 O 0.10254879850724 0.54422641533995 0.30908518971636 15.999 > 12 68 O 0.60254879850724 0.54422641533995 0.30908518971636 15.999 > 12 69 O 0.10254879850724 0.54422641533995 0.64241852304969 15.999 > 12 70 O 0.60254879850724 0.54422641533995 0.64241852304969 15.999 > 12 71 O 0.10254879850724 0.54422641533995 0.97575185638303 15.999 > 12 72 O 0.60254879850724 0.54422641533995 0.97575185638303 15.999 > 12 73 O 0.10254879850724 0.45577358466005 0.14241852304969 15.999 > 13 74 O 0.60254879850724 0.45577358466005 0.14241852304969 15.999 > 13 75 O 0.10254879850724 0.45577358466005 0.47575185638303 15.999 > 13 76 O 0.60254879850724 0.45577358466005 0.47575185638303 15.999 > 13 77 O 0.10254879850724 0.45577358466005 0.80908518971636 15.999 > 13 78 O 0.60254879850724 0.45577358466005 0.80908518971636 15.999 > 13 79 O 0.14745120149276 0.04422641533995 0.30908518971636 15.999 > 14 80 O 0.64745120149276 0.04422641533995 0.30908518971636 15.999 > 14 81 O 0.14745120149276 0.04422641533995 0.64241852304969 15.999 > 14 82 O 0.64745120149276 0.04422641533995 0.64241852304969 15.999 > 14 83 O 0.14745120149276 0.04422641533995 0.97575185638303 15.999 > 14 84 O 0.64745120149276 0.04422641533995 0.97575185638303 15.999 > 14 85 O 0.35254879850724 0.04422641533995 0.19091481028364 15.999 > 15 86 O 0.85254879850724 0.04422641533995 0.19091481028364 15.999 > 15 87 O 0.35254879850724 0.04422641533995 0.52424814361697 15.999 > 15 88 O 0.85254879850724 0.04422641533995 0.52424814361697 15.999 > 15 89 O 0.35254879850724 0.04422641533995 0.85758147695031 15.999 > 15 90 O 0.85254879850724 0.04422641533995 0.85758147695031 15.999 > 15 91 O 0.39745120149276 0.45577358466005 0.02424814361697 15.999 > 16 92 O 0.89745120149276 0.45577358466005 0.02424814361697 15.999 > 16 93 O 0.39745120149276 0.45577358466005 0.35758147695031 15.999 > 16 94 O 0.89745120149276 0.45577358466005 0.35758147695031 15.999 > 16 95 O 0.39745120149276 0.45577358466005 0.69091481028364 15.999 > 16 96 O 0.89745120149276 0.45577358466005 0.69091481028364 15.999 > 16 *97 Ca 0.25000000000000 0.67007940229667 0.25000000000000 40.078 > 17 98 Ca 0.75000000000000 0.67007940229667 0.25000000000000 40.078 > 17 99 Ca 0.25000000000000 0.67007940229667 0.58333333333333 40.078 > 17 100 Ca 0.75000000000000 0.67007940229667 0.58333333333333 40.078 > 17 101 Ca 0.25000000000000 0.67007940229667 0.91666666666667 40.078 > 17 102 Ca 0.75000000000000 0.67007940229667 0.91666666666667 40.078 > 17 103 Ca 0.00000000000000 0.82992059770333 0.08333333333333 40.078 > 18 104 Ca 0.50000000000000 0.82992059770333 0.08333333333333 40.078 > 18 105 Ca 0.00000000000000 0.82992059770333 0.41666666666667 40.078 > 18 106 Ca 0.50000000000000 0.82992059770333 0.41666666666667 40.078 > 18 107 Ca 0.00000000000000 0.82992059770333 0.75000000000000 40.078 > 18 108 Ca 0.50000000000000 0.82992059770333 0.75000000000000 40.078 > 18 109 Ca 0.25000000000000 0.32992059770333 0.08333333333333 40.078 > 19 110 Ca 0.75000000000000 0.32992059770333 0.08333333333333 40.078 > 19 111 Ca 0.25000000000000 0.32992059770333 0.41666666666667 40.078 > 19 112 Ca 0.75000000000000 0.32992059770333 0.41666666666667 40.078 > 19 113 Ca 0.25000000000000 0.32992059770333 0.75000000000000 40.078 > 19 114 Ca 0.75000000000000 0.32992059770333 0.75000000000000 40.078 > 19 115 Ca 0.00000000000000 0.17007940229667 0.25000000000000 40.078 > 20 116 Ca 0.50000000000000 0.17007940229667 0.25000000000000 40.078 > 20 117 Ca 0.00000000000000 0.17007940229667 0.58333333333333 40.078 > 20 118 Ca 0.50000000000000 0.17007940229667 0.58333333333333 40.078 > 20 119 Ca 0.00000000000000 0.17007940229667 0.91666666666667 40.078 > 20 120 Ca 0.50000000000000 0.17007940229667 0.91666666666667 40.078 > 20 *121 Te 0.00000000000000 0.42746707409059 0.25000000000000 127.600 > 21 122 Te 0.50000000000000 0.42746707409059 0.25000000000000 127.600 > 21 123 Te 0.00000000000000 0.42746707409059 0.58333333333333 127.600 > 21 124 Te 0.50000000000000 0.42746707409059 0.58333333333333 127.600 > 21 125 Te 0.00000000000000 0.42746707409059 0.91666666666667 127.600 > 21 126 Te 0.50000000000000 0.42746707409059 0.91666666666667 127.600 > 21 127 Te 0.25000000000000 0.07253292590940 0.08333333333333 127.600 > 22 128 Te 0.75000000000000 0.07253292590940 0.08333333333333 127.600 > 22 129 Te 0.25000000000000 0.07253292590940 0.41666666666667 127.600 > 22 130 Te 0.75000000000000 0.07253292590940 0.41666666666667 127.600 > 22 131 Te 0.25000000000000 0.07253292590940 0.75000000000000 127.600 > 22 132 Te 0.75000000000000 0.07253292590940 0.75000000000000 127.600 > 22 133 Te 0.00000000000000 0.57253292590940 0.08333333333333 127.600 > 23 134 Te 0.50000000000000 0.57253292590940 0.08333333333333 127.600 > 23 135 Te 0.00000000000000 0.57253292590940 0.41666666666667 127.600 > 23 136 Te 0.50000000000000 0.57253292590940 0.41666666666667 127.600 > 23 137 Te 0.00000000000000 0.57253292590940 0.75000000000000 127.600 > 23 138 Te 0.50000000000000 0.57253292590940 0.75000000000000 127.600 > 23 139 Te 0.25000000000000 0.92746707409060 0.25000000000000 127.600 > 24 140 Te 0.75000000000000 0.92746707409060 0.25000000000000 127.600 > 24 141 Te 0.25000000000000 0.92746707409060 0.58333333333333 127.600 > 24 142 Te 0.75000000000000 0.92746707409060 0.58333333333333 127.600 > 24 143 Te 0.25000000000000 0.92746707409060 0.91666666666667 127.600 > 24 144 Te 0.75000000000000 0.92746707409060 0.91666666666667 127.600 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1909057 0.0000000 0.0000000 0.0000000 3.6731282 0.0000000 0.0000000 0.0000000 3.8338473 -------------------------- Born effective charges -------------------------- 1 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 2 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 3 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 4 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 5 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 6 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 7 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 8 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 9 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 10 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 11 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 12 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 13 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 14 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 15 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 16 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 17 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 18 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 19 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 20 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 21 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 22 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 23 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 24 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 ---------------------------------------------------------------------------- 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: 2038 Number of blocks in projector: 2038 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: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2038, 2010), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.485 Solver_block: 200 / 400 - Time: 4.578 Solver_block: 300 / 400 - Time: 4.558 Solver_block: 400 / 400 - Time: 4.574 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.252 --------------------------------- 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: 2038 Number of blocks in projector: 2038 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: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2038, 2010), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:01:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:01:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.218854910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.013948719999999 Atomic positions (fractional): 1 O 0.77858067446820 0.67459692847945 0.11482813827910 15.999 2 O 0.72141932553180 0.82540307152055 0.61482813827910 15.999 3 O 0.27858067446820 0.82540307152055 0.88517186172090 15.999 4 O 0.22141932553180 0.67459692847945 0.38517186172090 15.999 5 O 0.22141932553180 0.32540307152055 0.88517186172090 15.999 6 O 0.27858067446820 0.17459692847945 0.38517186172090 15.999 7 O 0.72141932553180 0.17459692847945 0.11482813827910 15.999 8 O 0.77858067446820 0.32540307152055 0.61482813827910 15.999 9 O 0.79490240298551 0.54422641533995 0.57274443085092 15.999 10 O 0.70509759701449 0.95577358466005 0.07274443085092 15.999 11 O 0.29490240298551 0.95577358466005 0.42725556914908 15.999 12 O 0.20509759701449 0.54422641533995 0.92725556914908 15.999 13 O 0.20509759701449 0.45577358466005 0.42725556914908 15.999 14 O 0.29490240298551 0.04422641533995 0.92725556914908 15.999 15 O 0.70509759701449 0.04422641533995 0.57274443085092 15.999 16 O 0.79490240298551 0.45577358466005 0.07274443085092 15.999 17 Ca 0.50000000000000 0.67007940229667 0.75000000000000 40.078 18 Ca 0.00000000000000 0.82992059770333 0.25000000000000 40.078 19 Ca 0.50000000000000 0.32992059770333 0.25000000000000 40.078 20 Ca 0.00000000000000 0.17007940229667 0.75000000000000 40.078 21 Te 0.00000000000000 0.42746707409059 0.75000000000000 127.600 22 Te 0.50000000000000 0.07253292590940 0.25000000000000 127.600 23 Te 0.00000000000000 0.57253292590940 0.25000000000000 127.600 24 Te 0.50000000000000 0.92746707409060 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.437709820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.041846159999999 Atomic positions (fractional): 1 O 0.38929033723410 0.67459692847945 0.03827604609303 15.999 > 1 2 O 0.88929033723410 0.67459692847945 0.03827604609303 15.999 > 1 3 O 0.38929033723410 0.67459692847945 0.37160937942637 15.999 > 1 4 O 0.88929033723410 0.67459692847945 0.37160937942637 15.999 > 1 5 O 0.38929033723410 0.67459692847945 0.70494271275970 15.999 > 1 6 O 0.88929033723410 0.67459692847945 0.70494271275970 15.999 > 1 7 O 0.36070966276590 0.82540307152055 0.20494271275970 15.999 > 7 8 O 0.86070966276590 0.82540307152055 0.20494271275970 15.999 > 7 9 O 0.36070966276590 0.82540307152055 0.53827604609303 15.999 > 7 10 O 0.86070966276590 0.82540307152055 0.53827604609303 15.999 > 7 11 O 0.36070966276590 0.82540307152055 0.87160937942637 15.999 > 7 12 O 0.86070966276590 0.82540307152055 0.87160937942637 15.999 > 7 13 O 0.13929033723410 0.82540307152055 0.29505728724030 15.999 > 13 14 O 0.63929033723410 0.82540307152055 0.29505728724030 15.999 > 13 15 O 0.13929033723410 0.82540307152055 0.62839062057363 15.999 > 13 16 O 0.63929033723410 0.82540307152055 0.62839062057363 15.999 > 13 17 O 0.13929033723410 0.82540307152055 0.96172395390697 15.999 > 13 18 O 0.63929033723410 0.82540307152055 0.96172395390697 15.999 > 13 19 O 0.11070966276590 0.67459692847945 0.12839062057363 15.999 > 19 20 O 0.61070966276590 0.67459692847945 0.12839062057363 15.999 > 19 21 O 0.11070966276590 0.67459692847945 0.46172395390697 15.999 > 19 22 O 0.61070966276590 0.67459692847945 0.46172395390697 15.999 > 19 23 O 0.11070966276590 0.67459692847945 0.79505728724030 15.999 > 19 24 O 0.61070966276590 0.67459692847945 0.79505728724030 15.999 > 19 25 O 0.11070966276590 0.32540307152055 0.29505728724030 15.999 > 25 26 O 0.61070966276590 0.32540307152055 0.29505728724030 15.999 > 25 27 O 0.11070966276590 0.32540307152055 0.62839062057363 15.999 > 25 28 O 0.61070966276590 0.32540307152055 0.62839062057363 15.999 > 25 29 O 0.11070966276590 0.32540307152055 0.96172395390697 15.999 > 25 30 O 0.61070966276590 0.32540307152055 0.96172395390697 15.999 > 25 31 O 0.13929033723410 0.17459692847945 0.12839062057363 15.999 > 31 32 O 0.63929033723410 0.17459692847945 0.12839062057363 15.999 > 31 33 O 0.13929033723410 0.17459692847945 0.46172395390697 15.999 > 31 34 O 0.63929033723410 0.17459692847945 0.46172395390697 15.999 > 31 35 O 0.13929033723410 0.17459692847945 0.79505728724030 15.999 > 31 36 O 0.63929033723410 0.17459692847945 0.79505728724030 15.999 > 31 37 O 0.36070966276590 0.17459692847945 0.03827604609303 15.999 > 37 38 O 0.86070966276590 0.17459692847945 0.03827604609303 15.999 > 37 39 O 0.36070966276590 0.17459692847945 0.37160937942637 15.999 > 37 40 O 0.86070966276590 0.17459692847945 0.37160937942637 15.999 > 37 41 O 0.36070966276590 0.17459692847945 0.70494271275970 15.999 > 37 42 O 0.86070966276590 0.17459692847945 0.70494271275970 15.999 > 37 43 O 0.38929033723410 0.32540307152055 0.20494271275970 15.999 > 43 44 O 0.88929033723410 0.32540307152055 0.20494271275970 15.999 > 43 45 O 0.38929033723410 0.32540307152055 0.53827604609303 15.999 > 43 46 O 0.88929033723410 0.32540307152055 0.53827604609303 15.999 > 43 47 O 0.38929033723410 0.32540307152055 0.87160937942637 15.999 > 43 48 O 0.88929033723410 0.32540307152055 0.87160937942637 15.999 > 43 49 O 0.39745120149276 0.54422641533995 0.19091481028364 15.999 > 49 50 O 0.89745120149276 0.54422641533995 0.19091481028364 15.999 > 49 51 O 0.39745120149276 0.54422641533995 0.52424814361697 15.999 > 49 52 O 0.89745120149276 0.54422641533995 0.52424814361697 15.999 > 49 53 O 0.39745120149276 0.54422641533995 0.85758147695031 15.999 > 49 54 O 0.89745120149276 0.54422641533995 0.85758147695031 15.999 > 49 55 O 0.35254879850724 0.95577358466005 0.02424814361697 15.999 > 55 56 O 0.85254879850724 0.95577358466005 0.02424814361697 15.999 > 55 57 O 0.35254879850724 0.95577358466005 0.35758147695031 15.999 > 55 58 O 0.85254879850724 0.95577358466005 0.35758147695031 15.999 > 55 59 O 0.35254879850724 0.95577358466005 0.69091481028364 15.999 > 55 60 O 0.85254879850724 0.95577358466005 0.69091481028364 15.999 > 55 61 O 0.14745120149276 0.95577358466005 0.14241852304969 15.999 > 61 62 O 0.64745120149276 0.95577358466005 0.14241852304969 15.999 > 61 63 O 0.14745120149276 0.95577358466005 0.47575185638303 15.999 > 61 64 O 0.64745120149276 0.95577358466005 0.47575185638303 15.999 > 61 65 O 0.14745120149276 0.95577358466005 0.80908518971636 15.999 > 61 66 O 0.64745120149276 0.95577358466005 0.80908518971636 15.999 > 61 67 O 0.10254879850724 0.54422641533995 0.30908518971636 15.999 > 67 68 O 0.60254879850724 0.54422641533995 0.30908518971636 15.999 > 67 69 O 0.10254879850724 0.54422641533995 0.64241852304969 15.999 > 67 70 O 0.60254879850724 0.54422641533995 0.64241852304969 15.999 > 67 71 O 0.10254879850724 0.54422641533995 0.97575185638303 15.999 > 67 72 O 0.60254879850724 0.54422641533995 0.97575185638303 15.999 > 67 73 O 0.10254879850724 0.45577358466005 0.14241852304969 15.999 > 73 74 O 0.60254879850724 0.45577358466005 0.14241852304969 15.999 > 73 75 O 0.10254879850724 0.45577358466005 0.47575185638303 15.999 > 73 76 O 0.60254879850724 0.45577358466005 0.47575185638303 15.999 > 73 77 O 0.10254879850724 0.45577358466005 0.80908518971636 15.999 > 73 78 O 0.60254879850724 0.45577358466005 0.80908518971636 15.999 > 73 79 O 0.14745120149276 0.04422641533995 0.30908518971636 15.999 > 79 80 O 0.64745120149276 0.04422641533995 0.30908518971636 15.999 > 79 81 O 0.14745120149276 0.04422641533995 0.64241852304969 15.999 > 79 82 O 0.64745120149276 0.04422641533995 0.64241852304969 15.999 > 79 83 O 0.14745120149276 0.04422641533995 0.97575185638303 15.999 > 79 84 O 0.64745120149276 0.04422641533995 0.97575185638303 15.999 > 79 85 O 0.35254879850724 0.04422641533995 0.19091481028364 15.999 > 85 86 O 0.85254879850724 0.04422641533995 0.19091481028364 15.999 > 85 87 O 0.35254879850724 0.04422641533995 0.52424814361697 15.999 > 85 88 O 0.85254879850724 0.04422641533995 0.52424814361697 15.999 > 85 89 O 0.35254879850724 0.04422641533995 0.85758147695031 15.999 > 85 90 O 0.85254879850724 0.04422641533995 0.85758147695031 15.999 > 85 91 O 0.39745120149276 0.45577358466005 0.02424814361697 15.999 > 91 92 O 0.89745120149276 0.45577358466005 0.02424814361697 15.999 > 91 93 O 0.39745120149276 0.45577358466005 0.35758147695031 15.999 > 91 94 O 0.89745120149276 0.45577358466005 0.35758147695031 15.999 > 91 95 O 0.39745120149276 0.45577358466005 0.69091481028364 15.999 > 91 96 O 0.89745120149276 0.45577358466005 0.69091481028364 15.999 > 91 97 Ca 0.25000000000000 0.67007940229667 0.25000000000000 40.078 > 97 98 Ca 0.75000000000000 0.67007940229667 0.25000000000000 40.078 > 97 99 Ca 0.25000000000000 0.67007940229667 0.58333333333333 40.078 > 97 100 Ca 0.75000000000000 0.67007940229667 0.58333333333333 40.078 > 97 101 Ca 0.25000000000000 0.67007940229667 0.91666666666667 40.078 > 97 102 Ca 0.75000000000000 0.67007940229667 0.91666666666667 40.078 > 97 103 Ca 0.00000000000000 0.82992059770333 0.08333333333333 40.078 > 103 104 Ca 0.50000000000000 0.82992059770333 0.08333333333333 40.078 > 103 105 Ca 0.00000000000000 0.82992059770333 0.41666666666667 40.078 > 103 106 Ca 0.50000000000000 0.82992059770333 0.41666666666667 40.078 > 103 107 Ca 0.00000000000000 0.82992059770333 0.75000000000000 40.078 > 103 108 Ca 0.50000000000000 0.82992059770333 0.75000000000000 40.078 > 103 109 Ca 0.25000000000000 0.32992059770333 0.08333333333333 40.078 > 109 110 Ca 0.75000000000000 0.32992059770333 0.08333333333333 40.078 > 109 111 Ca 0.25000000000000 0.32992059770333 0.41666666666667 40.078 > 109 112 Ca 0.75000000000000 0.32992059770333 0.41666666666667 40.078 > 109 113 Ca 0.25000000000000 0.32992059770333 0.75000000000000 40.078 > 109 114 Ca 0.75000000000000 0.32992059770333 0.75000000000000 40.078 > 109 115 Ca 0.00000000000000 0.17007940229667 0.25000000000000 40.078 > 115 116 Ca 0.50000000000000 0.17007940229667 0.25000000000000 40.078 > 115 117 Ca 0.00000000000000 0.17007940229667 0.58333333333333 40.078 > 115 118 Ca 0.50000000000000 0.17007940229667 0.58333333333333 40.078 > 115 119 Ca 0.00000000000000 0.17007940229667 0.91666666666667 40.078 > 115 120 Ca 0.50000000000000 0.17007940229667 0.91666666666667 40.078 > 115 121 Te 0.00000000000000 0.42746707409059 0.25000000000000 127.600 > 121 122 Te 0.50000000000000 0.42746707409059 0.25000000000000 127.600 > 121 123 Te 0.00000000000000 0.42746707409059 0.58333333333333 127.600 > 121 124 Te 0.50000000000000 0.42746707409059 0.58333333333333 127.600 > 121 125 Te 0.00000000000000 0.42746707409059 0.91666666666667 127.600 > 121 126 Te 0.50000000000000 0.42746707409059 0.91666666666667 127.600 > 121 127 Te 0.25000000000000 0.07253292590940 0.08333333333333 127.600 > 127 128 Te 0.75000000000000 0.07253292590940 0.08333333333333 127.600 > 127 129 Te 0.25000000000000 0.07253292590940 0.41666666666667 127.600 > 127 130 Te 0.75000000000000 0.07253292590940 0.41666666666667 127.600 > 127 131 Te 0.25000000000000 0.07253292590940 0.75000000000000 127.600 > 127 132 Te 0.75000000000000 0.07253292590940 0.75000000000000 127.600 > 127 133 Te 0.00000000000000 0.57253292590940 0.08333333333333 127.600 > 133 134 Te 0.50000000000000 0.57253292590940 0.08333333333333 127.600 > 133 135 Te 0.00000000000000 0.57253292590940 0.41666666666667 127.600 > 133 136 Te 0.50000000000000 0.57253292590940 0.41666666666667 127.600 > 133 137 Te 0.00000000000000 0.57253292590940 0.75000000000000 127.600 > 133 138 Te 0.50000000000000 0.57253292590940 0.75000000000000 127.600 > 133 139 Te 0.25000000000000 0.92746707409060 0.25000000000000 127.600 > 139 140 Te 0.75000000000000 0.92746707409060 0.25000000000000 127.600 > 139 141 Te 0.25000000000000 0.92746707409060 0.58333333333333 127.600 > 139 142 Te 0.75000000000000 0.92746707409060 0.58333333333333 127.600 > 139 143 Te 0.25000000000000 0.92746707409060 0.91666666666667 127.600 > 139 144 Te 0.75000000000000 0.92746707409060 0.91666666666667 127.600 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1909057 0.0000000 0.0000000 0.0000000 3.6731282 0.0000000 0.0000000 0.0000000 3.8338473 -------------------------- Born effective charges -------------------------- 1 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 2 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 3 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 4 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 5 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 6 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 7 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 8 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 9 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 10 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 11 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 12 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 13 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 14 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 15 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 16 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 17 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 18 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 19 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 20 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 21 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 22 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 23 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 24 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 00:01:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:01:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.218854910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.013948719999999 Atomic positions (fractional): 1 O 0.77858067446820 0.67459692847945 0.11482813827910 15.999 2 O 0.72141932553180 0.82540307152055 0.61482813827910 15.999 3 O 0.27858067446820 0.82540307152055 0.88517186172090 15.999 4 O 0.22141932553180 0.67459692847945 0.38517186172090 15.999 5 O 0.22141932553180 0.32540307152055 0.88517186172090 15.999 6 O 0.27858067446820 0.17459692847945 0.38517186172090 15.999 7 O 0.72141932553180 0.17459692847945 0.11482813827910 15.999 8 O 0.77858067446820 0.32540307152055 0.61482813827910 15.999 9 O 0.79490240298551 0.54422641533995 0.57274443085092 15.999 10 O 0.70509759701449 0.95577358466005 0.07274443085092 15.999 11 O 0.29490240298551 0.95577358466005 0.42725556914908 15.999 12 O 0.20509759701449 0.54422641533995 0.92725556914908 15.999 13 O 0.20509759701449 0.45577358466005 0.42725556914908 15.999 14 O 0.29490240298551 0.04422641533995 0.92725556914908 15.999 15 O 0.70509759701449 0.04422641533995 0.57274443085092 15.999 16 O 0.79490240298551 0.45577358466005 0.07274443085092 15.999 17 Ca 0.50000000000000 0.67007940229667 0.75000000000000 40.078 18 Ca 0.00000000000000 0.82992059770333 0.25000000000000 40.078 19 Ca 0.50000000000000 0.32992059770333 0.25000000000000 40.078 20 Ca 0.00000000000000 0.17007940229667 0.75000000000000 40.078 21 Te 0.00000000000000 0.42746707409059 0.75000000000000 127.600 22 Te 0.50000000000000 0.07253292590940 0.25000000000000 127.600 23 Te 0.00000000000000 0.57253292590940 0.25000000000000 127.600 24 Te 0.50000000000000 0.92746707409060 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.437709820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.672153130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.041846159999999 Atomic positions (fractional): 1 O 0.38929033723410 0.67459692847945 0.03827604609303 15.999 > 1 2 O 0.88929033723410 0.67459692847945 0.03827604609303 15.999 > 1 3 O 0.38929033723410 0.67459692847945 0.37160937942637 15.999 > 1 4 O 0.88929033723410 0.67459692847945 0.37160937942637 15.999 > 1 5 O 0.38929033723410 0.67459692847945 0.70494271275970 15.999 > 1 6 O 0.88929033723410 0.67459692847945 0.70494271275970 15.999 > 1 7 O 0.36070966276590 0.82540307152055 0.20494271275970 15.999 > 7 8 O 0.86070966276590 0.82540307152055 0.20494271275970 15.999 > 7 9 O 0.36070966276590 0.82540307152055 0.53827604609303 15.999 > 7 10 O 0.86070966276590 0.82540307152055 0.53827604609303 15.999 > 7 11 O 0.36070966276590 0.82540307152055 0.87160937942637 15.999 > 7 12 O 0.86070966276590 0.82540307152055 0.87160937942637 15.999 > 7 13 O 0.13929033723410 0.82540307152055 0.29505728724030 15.999 > 13 14 O 0.63929033723410 0.82540307152055 0.29505728724030 15.999 > 13 15 O 0.13929033723410 0.82540307152055 0.62839062057363 15.999 > 13 16 O 0.63929033723410 0.82540307152055 0.62839062057363 15.999 > 13 17 O 0.13929033723410 0.82540307152055 0.96172395390697 15.999 > 13 18 O 0.63929033723410 0.82540307152055 0.96172395390697 15.999 > 13 19 O 0.11070966276590 0.67459692847945 0.12839062057363 15.999 > 19 20 O 0.61070966276590 0.67459692847945 0.12839062057363 15.999 > 19 21 O 0.11070966276590 0.67459692847945 0.46172395390697 15.999 > 19 22 O 0.61070966276590 0.67459692847945 0.46172395390697 15.999 > 19 23 O 0.11070966276590 0.67459692847945 0.79505728724030 15.999 > 19 24 O 0.61070966276590 0.67459692847945 0.79505728724030 15.999 > 19 25 O 0.11070966276590 0.32540307152055 0.29505728724030 15.999 > 25 26 O 0.61070966276590 0.32540307152055 0.29505728724030 15.999 > 25 27 O 0.11070966276590 0.32540307152055 0.62839062057363 15.999 > 25 28 O 0.61070966276590 0.32540307152055 0.62839062057363 15.999 > 25 29 O 0.11070966276590 0.32540307152055 0.96172395390697 15.999 > 25 30 O 0.61070966276590 0.32540307152055 0.96172395390697 15.999 > 25 31 O 0.13929033723410 0.17459692847945 0.12839062057363 15.999 > 31 32 O 0.63929033723410 0.17459692847945 0.12839062057363 15.999 > 31 33 O 0.13929033723410 0.17459692847945 0.46172395390697 15.999 > 31 34 O 0.63929033723410 0.17459692847945 0.46172395390697 15.999 > 31 35 O 0.13929033723410 0.17459692847945 0.79505728724030 15.999 > 31 36 O 0.63929033723410 0.17459692847945 0.79505728724030 15.999 > 31 37 O 0.36070966276590 0.17459692847945 0.03827604609303 15.999 > 37 38 O 0.86070966276590 0.17459692847945 0.03827604609303 15.999 > 37 39 O 0.36070966276590 0.17459692847945 0.37160937942637 15.999 > 37 40 O 0.86070966276590 0.17459692847945 0.37160937942637 15.999 > 37 41 O 0.36070966276590 0.17459692847945 0.70494271275970 15.999 > 37 42 O 0.86070966276590 0.17459692847945 0.70494271275970 15.999 > 37 43 O 0.38929033723410 0.32540307152055 0.20494271275970 15.999 > 43 44 O 0.88929033723410 0.32540307152055 0.20494271275970 15.999 > 43 45 O 0.38929033723410 0.32540307152055 0.53827604609303 15.999 > 43 46 O 0.88929033723410 0.32540307152055 0.53827604609303 15.999 > 43 47 O 0.38929033723410 0.32540307152055 0.87160937942637 15.999 > 43 48 O 0.88929033723410 0.32540307152055 0.87160937942637 15.999 > 43 49 O 0.39745120149276 0.54422641533995 0.19091481028364 15.999 > 49 50 O 0.89745120149276 0.54422641533995 0.19091481028364 15.999 > 49 51 O 0.39745120149276 0.54422641533995 0.52424814361697 15.999 > 49 52 O 0.89745120149276 0.54422641533995 0.52424814361697 15.999 > 49 53 O 0.39745120149276 0.54422641533995 0.85758147695031 15.999 > 49 54 O 0.89745120149276 0.54422641533995 0.85758147695031 15.999 > 49 55 O 0.35254879850724 0.95577358466005 0.02424814361697 15.999 > 55 56 O 0.85254879850724 0.95577358466005 0.02424814361697 15.999 > 55 57 O 0.35254879850724 0.95577358466005 0.35758147695031 15.999 > 55 58 O 0.85254879850724 0.95577358466005 0.35758147695031 15.999 > 55 59 O 0.35254879850724 0.95577358466005 0.69091481028364 15.999 > 55 60 O 0.85254879850724 0.95577358466005 0.69091481028364 15.999 > 55 61 O 0.14745120149276 0.95577358466005 0.14241852304969 15.999 > 61 62 O 0.64745120149276 0.95577358466005 0.14241852304969 15.999 > 61 63 O 0.14745120149276 0.95577358466005 0.47575185638303 15.999 > 61 64 O 0.64745120149276 0.95577358466005 0.47575185638303 15.999 > 61 65 O 0.14745120149276 0.95577358466005 0.80908518971636 15.999 > 61 66 O 0.64745120149276 0.95577358466005 0.80908518971636 15.999 > 61 67 O 0.10254879850724 0.54422641533995 0.30908518971636 15.999 > 67 68 O 0.60254879850724 0.54422641533995 0.30908518971636 15.999 > 67 69 O 0.10254879850724 0.54422641533995 0.64241852304969 15.999 > 67 70 O 0.60254879850724 0.54422641533995 0.64241852304969 15.999 > 67 71 O 0.10254879850724 0.54422641533995 0.97575185638303 15.999 > 67 72 O 0.60254879850724 0.54422641533995 0.97575185638303 15.999 > 67 73 O 0.10254879850724 0.45577358466005 0.14241852304969 15.999 > 73 74 O 0.60254879850724 0.45577358466005 0.14241852304969 15.999 > 73 75 O 0.10254879850724 0.45577358466005 0.47575185638303 15.999 > 73 76 O 0.60254879850724 0.45577358466005 0.47575185638303 15.999 > 73 77 O 0.10254879850724 0.45577358466005 0.80908518971636 15.999 > 73 78 O 0.60254879850724 0.45577358466005 0.80908518971636 15.999 > 73 79 O 0.14745120149276 0.04422641533995 0.30908518971636 15.999 > 79 80 O 0.64745120149276 0.04422641533995 0.30908518971636 15.999 > 79 81 O 0.14745120149276 0.04422641533995 0.64241852304969 15.999 > 79 82 O 0.64745120149276 0.04422641533995 0.64241852304969 15.999 > 79 83 O 0.14745120149276 0.04422641533995 0.97575185638303 15.999 > 79 84 O 0.64745120149276 0.04422641533995 0.97575185638303 15.999 > 79 85 O 0.35254879850724 0.04422641533995 0.19091481028364 15.999 > 85 86 O 0.85254879850724 0.04422641533995 0.19091481028364 15.999 > 85 87 O 0.35254879850724 0.04422641533995 0.52424814361697 15.999 > 85 88 O 0.85254879850724 0.04422641533995 0.52424814361697 15.999 > 85 89 O 0.35254879850724 0.04422641533995 0.85758147695031 15.999 > 85 90 O 0.85254879850724 0.04422641533995 0.85758147695031 15.999 > 85 91 O 0.39745120149276 0.45577358466005 0.02424814361697 15.999 > 91 92 O 0.89745120149276 0.45577358466005 0.02424814361697 15.999 > 91 93 O 0.39745120149276 0.45577358466005 0.35758147695031 15.999 > 91 94 O 0.89745120149276 0.45577358466005 0.35758147695031 15.999 > 91 95 O 0.39745120149276 0.45577358466005 0.69091481028364 15.999 > 91 96 O 0.89745120149276 0.45577358466005 0.69091481028364 15.999 > 91 97 Ca 0.25000000000000 0.67007940229667 0.25000000000000 40.078 > 97 98 Ca 0.75000000000000 0.67007940229667 0.25000000000000 40.078 > 97 99 Ca 0.25000000000000 0.67007940229667 0.58333333333333 40.078 > 97 100 Ca 0.75000000000000 0.67007940229667 0.58333333333333 40.078 > 97 101 Ca 0.25000000000000 0.67007940229667 0.91666666666667 40.078 > 97 102 Ca 0.75000000000000 0.67007940229667 0.91666666666667 40.078 > 97 103 Ca 0.00000000000000 0.82992059770333 0.08333333333333 40.078 > 103 104 Ca 0.50000000000000 0.82992059770333 0.08333333333333 40.078 > 103 105 Ca 0.00000000000000 0.82992059770333 0.41666666666667 40.078 > 103 106 Ca 0.50000000000000 0.82992059770333 0.41666666666667 40.078 > 103 107 Ca 0.00000000000000 0.82992059770333 0.75000000000000 40.078 > 103 108 Ca 0.50000000000000 0.82992059770333 0.75000000000000 40.078 > 103 109 Ca 0.25000000000000 0.32992059770333 0.08333333333333 40.078 > 109 110 Ca 0.75000000000000 0.32992059770333 0.08333333333333 40.078 > 109 111 Ca 0.25000000000000 0.32992059770333 0.41666666666667 40.078 > 109 112 Ca 0.75000000000000 0.32992059770333 0.41666666666667 40.078 > 109 113 Ca 0.25000000000000 0.32992059770333 0.75000000000000 40.078 > 109 114 Ca 0.75000000000000 0.32992059770333 0.75000000000000 40.078 > 109 115 Ca 0.00000000000000 0.17007940229667 0.25000000000000 40.078 > 115 116 Ca 0.50000000000000 0.17007940229667 0.25000000000000 40.078 > 115 117 Ca 0.00000000000000 0.17007940229667 0.58333333333333 40.078 > 115 118 Ca 0.50000000000000 0.17007940229667 0.58333333333333 40.078 > 115 119 Ca 0.00000000000000 0.17007940229667 0.91666666666667 40.078 > 115 120 Ca 0.50000000000000 0.17007940229667 0.91666666666667 40.078 > 115 121 Te 0.00000000000000 0.42746707409059 0.25000000000000 127.600 > 121 122 Te 0.50000000000000 0.42746707409059 0.25000000000000 127.600 > 121 123 Te 0.00000000000000 0.42746707409059 0.58333333333333 127.600 > 121 124 Te 0.50000000000000 0.42746707409059 0.58333333333333 127.600 > 121 125 Te 0.00000000000000 0.42746707409059 0.91666666666667 127.600 > 121 126 Te 0.50000000000000 0.42746707409059 0.91666666666667 127.600 > 121 127 Te 0.25000000000000 0.07253292590940 0.08333333333333 127.600 > 127 128 Te 0.75000000000000 0.07253292590940 0.08333333333333 127.600 > 127 129 Te 0.25000000000000 0.07253292590940 0.41666666666667 127.600 > 127 130 Te 0.75000000000000 0.07253292590940 0.41666666666667 127.600 > 127 131 Te 0.25000000000000 0.07253292590940 0.75000000000000 127.600 > 127 132 Te 0.75000000000000 0.07253292590940 0.75000000000000 127.600 > 127 133 Te 0.00000000000000 0.57253292590940 0.08333333333333 127.600 > 133 134 Te 0.50000000000000 0.57253292590940 0.08333333333333 127.600 > 133 135 Te 0.00000000000000 0.57253292590940 0.41666666666667 127.600 > 133 136 Te 0.50000000000000 0.57253292590940 0.41666666666667 127.600 > 133 137 Te 0.00000000000000 0.57253292590940 0.75000000000000 127.600 > 133 138 Te 0.50000000000000 0.57253292590940 0.75000000000000 127.600 > 133 139 Te 0.25000000000000 0.92746707409060 0.25000000000000 127.600 > 139 140 Te 0.75000000000000 0.92746707409060 0.25000000000000 127.600 > 139 141 Te 0.25000000000000 0.92746707409060 0.58333333333333 127.600 > 139 142 Te 0.75000000000000 0.92746707409060 0.58333333333333 127.600 > 139 143 Te 0.25000000000000 0.92746707409060 0.91666666666667 127.600 > 139 144 Te 0.75000000000000 0.92746707409060 0.91666666666667 127.600 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1909057 0.0000000 0.0000000 0.0000000 3.6731282 0.0000000 0.0000000 0.0000000 3.8338473 -------------------------- Born effective charges -------------------------- 1 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 2 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 3 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 4 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 5 O -1.6374609 0.2693583 -0.4954824 0.2051756 -1.9539006 0.1838841 -0.4175450 -0.0016054 -1.6419198 6 O -1.6374609 0.2693583 0.4954824 0.2051756 -1.9539006 -0.1838841 0.4175450 0.0016054 -1.6419198 7 O -1.6374609 -0.2693583 0.4954824 -0.2051756 -1.9539006 0.1838841 0.4175450 -0.0016054 -1.6419198 8 O -1.6374609 -0.2693583 -0.4954824 -0.2051756 -1.9539006 -0.1838841 -0.4175450 0.0016054 -1.6419198 9 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 10 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 11 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 12 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 13 O -1.4184453 0.2883605 0.2324312 0.2987827 -1.7667225 0.4000239 0.1336615 0.5842523 -2.3223385 14 O -1.4184453 0.2883605 -0.2324312 0.2987827 -1.7667225 -0.4000239 -0.1336615 -0.5842523 -2.3223385 15 O -1.4184453 -0.2883605 -0.2324312 -0.2987827 -1.7667225 0.4000239 -0.1336615 0.5842523 -2.3223385 16 O -1.4184453 -0.2883605 0.2324312 -0.2987827 -1.7667225 -0.4000239 0.1336615 -0.5842523 -2.3223385 17 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 18 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 19 Ca 2.6655232 0.0000000 0.3177618 0.0000000 2.7591186 0.0000000 0.2026546 0.0000000 2.3687039 20 Ca 2.6655232 0.0000000 -0.3177618 0.0000000 2.7591186 0.0000000 -0.2026546 0.0000000 2.3687039 21 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 22 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 23 Te 3.4462892 0.0000000 0.1237195 0.0000000 4.6821277 0.0000000 0.2016650 0.0000000 5.5598127 24 Te 3.4462892 0.0000000 -0.1237195 0.0000000 4.6821277 0.0000000 -0.2016650 0.0000000 5.5598127 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 10 ] 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: 0.60, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 14.683 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.731 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.102 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 18.457 ( 0.000 0.000 0.000) 0.000 18.950 ( 0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 19.754 ( 0.000 0.000 0.000) 0.000 21.152 ( 0.000 0.000 0.000) 0.000 21.204 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 21.440 ( 0.000 0.000 0.000) 0.000 22.233 ( 0.000 0.000 0.000) 0.000 23.085 ( 0.000 0.000 0.000) 0.000 23.248 ( 0.000 0.000 0.000) 0.000 23.288 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 26.307 0.000 0.000) 26.307 0.668 ( 33.853 0.000 0.000) 33.853 0.937 ( 47.101 0.000 0.000) 47.101 1.892 ( 9.949 0.000 0.000) 9.949 1.966 ( 4.212 0.000 0.000) 4.212 2.573 ( 6.908 0.000 0.000) 6.908 2.698 ( 13.149 0.000 0.000) 13.149 3.365 ( -3.830 0.000 0.000) 3.830 4.277 ( 2.386 0.000 0.000) 2.386 4.346 ( 1.436 0.000 0.000) 1.436 4.812 ( 1.687 0.000 0.000) 1.687 4.834 ( 6.756 0.000 0.000) 6.756 4.864 ( -3.786 0.000 0.000) 3.786 5.293 ( -0.898 0.000 0.000) 0.898 5.417 ( -1.914 0.000 0.000) 1.914 5.601 ( 6.201 0.000 0.000) 6.201 5.753 ( -3.586 0.000 0.000) 3.586 5.780 ( -8.305 0.000 0.000) 8.305 5.833 ( -3.955 0.000 0.000) 3.955 6.001 ( 0.113 0.000 0.000) 0.113 6.016 ( 2.489 0.000 0.000) 2.489 6.498 ( -6.314 0.000 0.000) 6.314 6.719 ( -5.682 0.000 0.000) 5.682 6.807 ( 4.914 0.000 0.000) 4.914 6.826 ( -3.626 0.000 0.000) 3.626 7.209 ( 5.713 0.000 0.000) 5.713 7.299 ( -0.914 0.000 0.000) 0.914 7.691 ( 2.975 0.000 0.000) 2.975 7.893 ( -3.628 0.000 0.000) 3.628 7.903 ( -4.264 0.000 0.000) 4.264 7.972 ( -1.663 0.000 0.000) 1.663 8.110 ( -11.289 0.000 0.000) 11.289 8.467 ( 2.962 0.000 0.000) 2.962 8.735 ( 1.946 0.000 0.000) 1.946 8.820 ( 2.221 0.000 0.000) 2.221 8.869 ( 5.040 0.000 0.000) 5.040 9.335 ( -1.800 0.000 0.000) 1.800 9.615 ( -3.786 0.000 0.000) 3.786 10.523 ( 4.938 0.000 0.000) 4.938 10.824 ( 2.762 0.000 0.000) 2.762 10.886 ( 0.244 0.000 0.000) 0.244 10.929 ( -1.378 0.000 0.000) 1.378 11.100 ( -3.240 0.000 0.000) 3.240 11.196 ( 3.048 0.000 0.000) 3.048 12.538 ( 0.809 0.000 0.000) 0.809 12.967 ( 1.306 0.000 0.000) 1.306 13.046 ( 1.135 0.000 0.000) 1.135 13.537 ( -11.561 0.000 0.000) 11.561 14.688 ( 0.409 0.000 0.000) 0.409 14.812 ( -0.686 0.000 0.000) 0.686 15.555 ( -1.371 0.000 0.000) 1.371 15.746 ( 1.480 0.000 0.000) 1.480 15.847 ( -13.518 0.000 0.000) 13.518 15.847 ( 1.880 0.000 0.000) 1.880 16.269 ( -3.698 0.000 0.000) 3.698 17.044 ( -5.866 0.000 0.000) 5.866 17.345 ( 19.373 0.000 0.000) 19.373 18.155 ( 2.487 0.000 0.000) 2.487 18.444 ( -1.321 0.000 0.000) 1.321 18.947 ( -0.309 0.000 0.000) 0.309 19.017 ( -0.463 0.000 0.000) 0.463 19.213 ( -14.416 0.000 0.000) 14.416 19.763 ( 1.402 0.000 0.000) 1.402 19.811 ( 3.725 0.000 0.000) 3.725 21.289 ( 8.149 0.000 0.000) 8.149 21.492 ( 5.357 0.000 0.000) 5.357 21.496 ( 7.368 0.000 0.000) 7.368 22.224 ( -0.901 0.000 0.000) 0.901 22.914 ( -2.129 0.000 0.000) 2.129 23.085 ( -0.226 0.000 0.000) 0.226 23.207 ( -4.079 0.000 0.000) 4.079 23.243 ( -4.616 0.000 0.000) 4.616 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 24.522 0.000 0.000) 24.522 1.278 ( 29.369 0.000 0.000) 29.369 1.764 ( 37.661 0.000 0.000) 37.661 2.081 ( 8.048 0.000 0.000) 8.048 2.142 ( 15.210 0.000 0.000) 15.210 2.698 ( 3.500 0.000 0.000) 3.500 3.030 ( 20.290 0.000 0.000) 20.290 3.322 ( 1.619 0.000 0.000) 1.619 4.344 ( 4.531 0.000 0.000) 4.531 4.381 ( 2.159 0.000 0.000) 2.159 4.778 ( -4.624 0.000 0.000) 4.624 4.861 ( 3.465 0.000 0.000) 3.465 4.986 ( 7.989 0.000 0.000) 7.989 5.264 ( -2.025 0.000 0.000) 2.025 5.359 ( -4.037 0.000 0.000) 4.037 5.596 ( -10.207 0.000 0.000) 10.207 5.606 ( -6.686 0.000 0.000) 6.686 5.748 ( -4.581 0.000 0.000) 4.581 5.826 ( 12.363 0.000 0.000) 12.363 5.934 ( -8.166 0.000 0.000) 8.166 6.056 ( 1.746 0.000 0.000) 1.746 6.439 ( 1.791 0.000 0.000) 1.791 6.560 ( -10.762 0.000 0.000) 10.762 6.724 ( -7.023 0.000 0.000) 7.023 6.910 ( 5.185 0.000 0.000) 5.185 7.272 ( -1.876 0.000 0.000) 1.876 7.321 ( 5.425 0.000 0.000) 5.425 7.765 ( 4.473 0.000 0.000) 4.473 7.803 ( -5.435 0.000 0.000) 5.435 7.803 ( -5.433 0.000 0.000) 5.433 7.861 ( -13.613 0.000 0.000) 13.613 7.959 ( 0.662 0.000 0.000) 0.662 8.505 ( 0.395 0.000 0.000) 0.395 8.788 ( 3.448 0.000 0.000) 3.448 8.875 ( 3.293 0.000 0.000) 3.293 8.946 ( 2.120 0.000 0.000) 2.120 9.287 ( -2.955 0.000 0.000) 2.955 9.522 ( -5.549 0.000 0.000) 5.549 10.646 ( 7.367 0.000 0.000) 7.367 10.819 ( -2.116 0.000 0.000) 2.116 10.899 ( -1.449 0.000 0.000) 1.449 10.968 ( 7.013 0.000 0.000) 7.013 11.020 ( -4.944 0.000 0.000) 4.944 11.265 ( 3.844 0.000 0.000) 3.844 12.555 ( 0.817 0.000 0.000) 0.817 13.001 ( 2.118 0.000 0.000) 2.118 13.073 ( 1.585 0.000 0.000) 1.585 13.249 ( -17.178 0.000 0.000) 17.178 14.696 ( 0.398 0.000 0.000) 0.398 14.793 ( -1.186 0.000 0.000) 1.186 15.518 ( -2.382 0.000 0.000) 2.382 15.607 ( -10.398 0.000 0.000) 10.398 15.784 ( 2.320 0.000 0.000) 2.320 15.897 ( 3.135 0.000 0.000) 3.135 16.179 ( -5.153 0.000 0.000) 5.153 16.886 ( -10.292 0.000 0.000) 10.292 17.733 ( 19.451 0.000 0.000) 19.451 18.221 ( 4.185 0.000 0.000) 4.185 18.410 ( -2.020 0.000 0.000) 2.020 18.917 ( -15.249 0.000 0.000) 15.249 18.937 ( -0.681 0.000 0.000) 0.681 19.003 ( -1.085 0.000 0.000) 1.085 19.797 ( 1.975 0.000 0.000) 1.975 19.863 ( 1.790 0.000 0.000) 1.790 21.478 ( 10.646 0.000 0.000) 10.646 21.641 ( 9.937 0.000 0.000) 9.937 21.694 ( 12.958 0.000 0.000) 12.958 22.198 ( -1.874 0.000 0.000) 1.874 22.863 ( -3.042 0.000 0.000) 3.042 23.068 ( -1.772 0.000 0.000) 1.772 23.108 ( -5.760 0.000 0.000) 5.760 23.116 ( -8.449 0.000 0.000) 8.449 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 21.742 0.000 0.000) 21.742 1.776 ( 22.170 0.000 0.000) 22.170 2.176 ( 7.928 0.000 0.000) 7.928 2.427 ( 24.237 0.000 0.000) 24.237 2.441 ( 15.187 0.000 0.000) 15.187 2.646 ( -8.197 0.000 0.000) 8.197 3.424 ( 19.472 0.000 0.000) 19.472 3.468 ( 12.145 0.000 0.000) 12.145 4.430 ( 3.131 0.000 0.000) 3.131 4.454 ( 7.213 0.000 0.000) 7.213 4.705 ( -2.650 0.000 0.000) 2.650 4.944 ( 5.116 0.000 0.000) 5.116 5.096 ( 2.365 0.000 0.000) 2.365 5.220 ( -2.416 0.000 0.000) 2.416 5.274 ( -4.316 0.000 0.000) 4.316 5.409 ( -8.748 0.000 0.000) 8.748 5.454 ( -8.509 0.000 0.000) 8.509 5.676 ( -2.392 0.000 0.000) 2.392 5.719 ( -12.833 0.000 0.000) 12.833 6.089 ( 2.009 0.000 0.000) 2.009 6.114 ( 16.784 0.000 0.000) 16.784 6.316 ( -14.378 0.000 0.000) 14.378 6.537 ( 6.764 0.000 0.000) 6.764 6.566 ( -9.109 0.000 0.000) 9.109 6.991 ( 3.219 0.000 0.000) 3.219 7.228 ( -2.756 0.000 0.000) 2.756 7.403 ( 2.755 0.000 0.000) 2.755 7.613 ( -11.630 0.000 0.000) 11.630 7.708 ( -4.060 0.000 0.000) 4.060 7.709 ( -4.127 0.000 0.000) 4.127 7.857 ( 4.774 0.000 0.000) 4.774 7.998 ( 3.133 0.000 0.000) 3.133 8.480 ( -2.457 0.000 0.000) 2.457 8.861 ( 3.953 0.000 0.000) 3.953 8.927 ( -4.442 0.000 0.000) 4.442 8.936 ( 2.808 0.000 0.000) 2.808 9.238 ( -1.710 0.000 0.000) 1.710 9.414 ( -5.443 0.000 0.000) 5.443 10.777 ( -1.969 0.000 0.000) 1.969 10.783 ( 6.405 0.000 0.000) 6.405 10.881 ( -0.287 0.000 0.000) 0.287 10.920 ( -5.273 0.000 0.000) 5.273 11.112 ( 7.582 0.000 0.000) 7.582 11.330 ( 2.696 0.000 0.000) 2.696 12.566 ( 0.249 0.000 0.000) 0.249 12.929 ( -15.071 0.000 0.000) 15.071 13.043 ( 2.231 0.000 0.000) 2.231 13.101 ( 1.163 0.000 0.000) 1.163 14.703 ( 0.329 0.000 0.000) 0.329 14.768 ( -1.369 0.000 0.000) 1.369 15.458 ( -5.327 0.000 0.000) 5.327 15.468 ( -2.739 0.000 0.000) 2.739 15.829 ( 2.242 0.000 0.000) 2.242 15.950 ( 1.336 0.000 0.000) 1.336 16.103 ( -1.493 0.000 0.000) 1.493 16.669 ( -11.836 0.000 0.000) 11.836 18.058 ( 14.183 0.000 0.000) 14.183 18.306 ( 4.374 0.000 0.000) 4.374 18.373 ( -1.634 0.000 0.000) 1.634 18.657 ( -11.513 0.000 0.000) 11.513 18.921 ( -0.953 0.000 0.000) 0.953 18.975 ( -1.781 0.000 0.000) 1.781 19.833 ( 1.743 0.000 0.000) 1.743 19.884 ( 0.532 0.000 0.000) 0.532 21.676 ( 9.698 0.000 0.000) 9.698 21.863 ( 12.988 0.000 0.000) 12.988 21.973 ( 15.530 0.000 0.000) 15.530 22.152 ( -2.896 0.000 0.000) 2.896 22.798 ( -3.829 0.000 0.000) 3.829 22.925 ( -11.321 0.000 0.000) 11.321 23.003 ( -4.849 0.000 0.000) 4.849 23.015 ( -3.590 0.000 0.000) 3.590 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 18.564 0.000 0.000) 18.564 2.117 ( 13.201 0.000 0.000) 13.201 2.283 ( 3.196 0.000 0.000) 3.196 2.434 ( -13.050 0.000 0.000) 13.050 2.695 ( 10.576 0.000 0.000) 10.576 2.759 ( 9.878 0.000 0.000) 9.878 3.703 ( 10.499 0.000 0.000) 10.499 3.726 ( 10.887 0.000 0.000) 10.887 4.508 ( 4.968 0.000 0.000) 4.968 4.629 ( 11.024 0.000 0.000) 11.024 4.671 ( -1.701 0.000 0.000) 1.701 5.048 ( -7.156 0.000 0.000) 7.156 5.053 ( 6.114 0.000 0.000) 6.114 5.183 ( -1.037 0.000 0.000) 1.037 5.218 ( -1.022 0.000 0.000) 1.022 5.275 ( -5.503 0.000 0.000) 5.503 5.303 ( -6.366 0.000 0.000) 6.366 5.479 ( -11.630 0.000 0.000) 11.630 5.672 ( 2.370 0.000 0.000) 2.370 6.029 ( -14.778 0.000 0.000) 14.778 6.144 ( 3.973 0.000 0.000) 3.973 6.392 ( -8.601 0.000 0.000) 8.601 6.434 ( 15.353 0.000 0.000) 15.353 6.650 ( 3.991 0.000 0.000) 3.991 7.042 ( 2.546 0.000 0.000) 2.546 7.167 ( -3.531 0.000 0.000) 3.531 7.413 ( -1.611 0.000 0.000) 1.611 7.433 ( -6.608 0.000 0.000) 6.608 7.652 ( -1.806 0.000 0.000) 1.806 7.652 ( -1.792 0.000 0.000) 1.792 7.945 ( 4.351 0.000 0.000) 4.351 8.050 ( 0.987 0.000 0.000) 0.987 8.461 ( 2.272 0.000 0.000) 2.272 8.784 ( -9.755 0.000 0.000) 9.755 8.931 ( 3.135 0.000 0.000) 3.135 8.975 ( 1.075 0.000 0.000) 1.075 9.228 ( 0.553 0.000 0.000) 0.553 9.320 ( -4.198 0.000 0.000) 4.198 10.753 ( -0.351 0.000 0.000) 0.351 10.827 ( -4.118 0.000 0.000) 4.118 10.875 ( 2.956 0.000 0.000) 2.956 10.888 ( 0.757 0.000 0.000) 0.757 11.244 ( 5.912 0.000 0.000) 5.912 11.359 ( 0.115 0.000 0.000) 0.115 12.569 ( 0.339 0.000 0.000) 0.339 12.700 ( -8.605 0.000 0.000) 8.605 13.082 ( 1.741 0.000 0.000) 1.741 13.114 ( 0.196 0.000 0.000) 0.196 14.710 ( 0.489 0.000 0.000) 0.489 14.743 ( -1.217 0.000 0.000) 1.217 15.394 ( -1.626 0.000 0.000) 1.626 15.419 ( -2.250 0.000 0.000) 2.250 15.866 ( 1.638 0.000 0.000) 1.638 15.931 ( -2.132 0.000 0.000) 2.132 16.147 ( 5.162 0.000 0.000) 5.162 16.451 ( -10.491 0.000 0.000) 10.491 18.274 ( 8.281 0.000 0.000) 8.281 18.356 ( 0.074 0.000 0.000) 0.074 18.374 ( 2.279 0.000 0.000) 2.279 18.480 ( -7.026 0.000 0.000) 7.026 18.905 ( -0.531 0.000 0.000) 0.531 18.938 ( -1.970 0.000 0.000) 1.970 19.862 ( 1.199 0.000 0.000) 1.199 19.887 ( -0.161 0.000 0.000) 0.161 21.844 ( 7.837 0.000 0.000) 7.837 22.066 ( -1.638 0.000 0.000) 1.638 22.147 ( 11.848 0.000 0.000) 11.848 22.269 ( 14.896 0.000 0.000) 14.896 22.688 ( -13.360 0.000 0.000) 13.360 22.702 ( -6.737 0.000 0.000) 6.737 22.931 ( -2.544 0.000 0.000) 2.544 22.944 ( -3.240 0.000 0.000) 3.240 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -15.689 0.000 0.000) 15.689 2.158 ( 15.689 0.000 0.000) 15.689 2.280 ( -4.007 0.000 0.000) 4.007 2.280 ( 4.007 0.000 0.000) 4.007 2.824 ( -2.329 0.000 0.000) 2.329 2.824 ( 2.329 0.000 0.000) 2.329 3.821 ( -0.990 0.000 0.000) 0.990 3.821 ( 0.990 0.000 0.000) 0.990 4.609 ( -4.867 0.000 0.000) 4.867 4.609 ( 4.867 0.000 0.000) 4.867 4.857 ( -11.870 0.000 0.000) 11.870 4.857 ( 11.870 0.000 0.000) 11.870 5.170 ( -5.861 0.000 0.000) 5.861 5.170 ( 5.861 0.000 0.000) 5.861 5.192 ( -2.013 0.000 0.000) 2.013 5.192 ( 2.013 0.000 0.000) 2.013 5.298 ( -6.379 0.000 0.000) 6.379 5.298 ( 6.379 0.000 0.000) 6.379 5.786 ( -9.737 0.000 0.000) 9.737 5.786 ( 9.737 0.000 0.000) 9.737 6.246 ( -6.572 0.000 0.000) 6.572 6.246 ( 6.572 0.000 0.000) 6.572 6.646 ( -5.562 0.000 0.000) 5.562 6.646 ( 5.562 0.000 0.000) 5.562 7.099 ( -3.383 0.000 0.000) 3.383 7.099 ( 3.383 0.000 0.000) 3.383 7.376 ( -0.604 0.000 0.000) 0.604 7.376 ( 0.604 0.000 0.000) 0.604 7.636 ( -0.013 0.000 0.000) 0.013 7.636 ( 0.013 0.000 0.000) 0.013 8.021 ( -3.316 0.000 0.000) 3.316 8.021 ( 3.316 0.000 0.000) 3.316 8.587 ( -9.738 0.000 0.000) 9.738 8.587 ( 9.738 0.000 0.000) 9.738 8.974 ( -1.206 0.000 0.000) 1.206 8.974 ( 1.206 0.000 0.000) 1.206 9.257 ( -2.423 0.000 0.000) 2.423 9.257 ( 2.423 0.000 0.000) 2.423 10.768 ( -1.967 0.000 0.000) 1.967 10.768 ( 1.967 0.000 0.000) 1.967 10.899 ( -0.075 0.000 0.000) 0.075 10.899 ( 0.075 0.000 0.000) 0.075 11.331 ( -3.042 0.000 0.000) 3.042 11.331 ( 3.042 0.000 0.000) 3.042 12.594 ( -2.841 0.000 0.000) 2.841 12.594 ( 2.841 0.000 0.000) 2.841 13.108 ( -0.865 0.000 0.000) 0.865 13.108 ( 0.865 0.000 0.000) 0.865 14.723 ( -0.850 0.000 0.000) 0.850 14.723 ( 0.850 0.000 0.000) 0.850 15.388 ( -0.823 0.000 0.000) 0.823 15.388 ( 0.823 0.000 0.000) 0.823 15.895 ( -1.559 0.000 0.000) 1.559 15.895 ( 1.559 0.000 0.000) 1.559 16.274 ( -7.932 0.000 0.000) 7.932 16.274 ( 7.932 0.000 0.000) 7.932 18.376 ( -2.436 0.000 0.000) 2.436 18.376 ( 2.436 0.000 0.000) 2.436 18.384 ( -3.058 0.000 0.000) 3.058 18.384 ( 3.058 0.000 0.000) 3.058 18.908 ( -0.926 0.000 0.000) 0.926 18.908 ( 0.926 0.000 0.000) 0.926 19.879 ( -0.667 0.000 0.000) 0.667 19.879 ( 0.667 0.000 0.000) 0.667 21.976 ( -5.943 0.000 0.000) 5.943 21.976 ( 5.943 0.000 0.000) 5.943 22.419 ( -14.497 0.000 0.000) 14.497 22.419 ( 14.497 0.000 0.000) 14.497 22.526 ( -11.594 0.000 0.000) 11.594 22.526 ( 11.594 0.000 0.000) 11.594 22.909 ( -0.314 0.000 0.000) 0.314 22.909 ( 0.314 0.000 0.000) 0.314 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 24.447 0.000) 24.447 0.652 ( 0.000 31.951 0.000) 31.951 1.185 ( 0.000 58.375 0.000) 58.375 1.502 ( 0.000 -23.918 0.000) 23.918 1.714 ( 0.000 -18.447 0.000) 18.447 2.648 ( 0.000 9.690 0.000) 9.690 2.671 ( 0.000 7.539 0.000) 7.539 3.084 ( 0.000 -31.262 0.000) 31.262 4.166 ( 0.000 -5.613 0.000) 5.613 4.243 ( 0.000 -7.260 0.000) 7.260 4.739 ( 0.000 -0.223 0.000) 0.223 4.768 ( 0.000 -0.103 0.000) 0.103 5.016 ( 0.000 11.070 0.000) 11.070 5.053 ( 0.000 15.411 0.000) 15.411 5.283 ( 0.000 -0.682 0.000) 0.682 5.429 ( 0.000 -0.150 0.000) 0.150 5.700 ( 0.000 -19.361 0.000) 19.361 5.773 ( 0.000 -10.887 0.000) 10.887 5.821 ( 0.000 2.585 0.000) 2.585 5.978 ( 0.000 -3.816 0.000) 3.816 6.041 ( 0.000 15.414 0.000) 15.414 6.604 ( 0.000 4.262 0.000) 4.262 6.718 ( 0.000 -13.366 0.000) 13.366 6.814 ( 0.000 -3.945 0.000) 3.945 7.087 ( 0.000 25.348 0.000) 25.348 7.213 ( 0.000 6.444 0.000) 6.444 7.442 ( 0.000 -2.033 0.000) 2.033 7.926 ( 0.000 -0.258 0.000) 0.258 7.934 ( 0.000 -0.929 0.000) 0.929 8.030 ( 0.000 -17.509 0.000) 17.509 8.081 ( 0.000 7.785 0.000) 7.785 8.297 ( 0.000 1.920 0.000) 1.920 8.376 ( 0.000 -2.985 0.000) 2.985 8.404 ( 0.000 -2.355 0.000) 2.355 8.734 ( 0.000 1.627 0.000) 1.627 8.792 ( 0.000 -0.648 0.000) 0.648 9.405 ( 0.000 4.819 0.000) 4.819 9.615 ( 0.000 -3.731 0.000) 3.731 10.253 ( 0.000 3.594 0.000) 3.594 10.435 ( 0.000 -3.620 0.000) 3.620 10.935 ( 0.000 4.034 0.000) 4.034 11.122 ( 0.000 -3.466 0.000) 3.466 11.150 ( 0.000 1.056 0.000) 1.056 11.200 ( 0.000 -0.929 0.000) 0.929 12.575 ( 0.000 4.509 0.000) 4.509 12.861 ( 0.000 -7.812 0.000) 7.812 13.782 ( 0.000 11.483 0.000) 11.483 14.307 ( 0.000 -10.904 0.000) 10.904 14.692 ( 0.000 0.855 0.000) 0.855 14.735 ( 0.000 -0.854 0.000) 0.854 15.657 ( 0.000 7.807 0.000) 7.807 15.746 ( 0.000 1.387 0.000) 1.387 15.815 ( 0.000 -1.358 0.000) 1.358 15.964 ( 0.000 -5.026 0.000) 5.026 17.077 ( 0.000 0.698 0.000) 0.698 17.108 ( 0.000 0.607 0.000) 0.607 17.112 ( 0.000 -0.678 0.000) 0.678 17.139 ( 0.000 -0.626 0.000) 0.626 18.960 ( 0.000 1.007 0.000) 1.007 19.011 ( 0.000 -1.024 0.000) 1.024 19.387 ( 0.000 0.464 0.000) 0.464 19.409 ( 0.000 -0.409 0.000) 0.409 19.749 ( 0.000 0.081 0.000) 0.081 19.753 ( 0.000 -0.081 0.000) 0.081 21.159 ( 0.000 0.697 0.000) 0.697 21.196 ( 0.000 -0.765 0.000) 0.765 21.426 ( 0.000 0.271 0.000) 0.271 21.438 ( 0.000 -0.204 0.000) 0.204 23.100 ( 0.000 1.437 0.000) 1.437 23.198 ( 0.000 -3.163 0.000) 3.163 23.335 ( 0.000 2.888 0.000) 2.888 23.420 ( 0.000 -1.164 0.000) 1.164 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 18.992 16.765 0.000) 25.332 0.919 ( 22.952 21.061 0.000) 31.151 1.468 ( 26.267 42.561 0.000) 50.014 1.616 ( 11.028 -22.495 0.000) 25.053 1.788 ( 7.239 -15.905 0.000) 17.475 2.721 ( 6.782 9.537 0.000) 11.703 2.781 ( 11.099 6.115 0.000) 12.672 3.073 ( -0.346 -27.595 0.000) 27.597 4.231 ( 4.743 -4.512 0.000) 6.546 4.288 ( 4.235 -5.536 0.000) 6.970 4.805 ( 3.081 -2.124 0.000) 3.742 4.827 ( 5.722 -0.630 0.000) 5.756 4.913 ( -2.919 9.829 0.000) 10.254 5.279 ( -0.503 -0.456 0.000) 0.679 5.341 ( 13.521 -1.088 0.000) 13.564 5.434 ( 4.339 1.460 0.000) 4.578 5.618 ( -6.593 -18.166 0.000) 19.325 5.756 ( -3.544 -7.319 0.000) 8.132 5.758 ( -5.893 2.667 0.000) 6.468 5.944 ( -2.294 2.169 0.000) 3.157 6.101 ( 5.412 4.516 0.000) 7.049 6.517 ( -8.123 5.540 0.000) 9.832 6.667 ( -5.448 -11.743 0.000) 12.945 6.767 ( -4.508 -4.021 0.000) 6.041 7.101 ( 1.525 20.977 0.000) 21.032 7.284 ( 6.090 7.953 0.000) 10.017 7.443 ( -0.114 1.015 0.000) 1.022 7.848 ( -8.778 -3.162 0.000) 9.330 7.883 ( -4.395 -0.388 0.000) 4.412 7.935 ( -7.502 7.970 0.000) 10.945 8.001 ( -7.802 -6.011 0.000) 9.849 8.030 ( -3.513 4.298 0.000) 5.551 8.463 ( 4.304 0.230 0.000) 4.310 8.655 ( 8.506 -9.110 0.000) 12.463 8.758 ( 2.403 2.158 0.000) 3.229 8.872 ( 5.930 -2.685 0.000) 6.510 9.366 ( -3.026 4.400 0.000) 5.340 9.577 ( -3.744 -3.726 0.000) 5.282 10.419 ( 12.744 -6.426 0.000) 14.272 10.489 ( 5.293 -3.180 0.000) 6.175 10.914 ( -2.063 3.717 0.000) 4.251 11.078 ( -3.424 -2.513 0.000) 4.248 11.196 ( 3.448 0.296 0.000) 3.461 11.199 ( -0.217 2.977 0.000) 2.985 12.558 ( -1.417 4.301 0.000) 4.528 12.861 ( -0.137 -8.658 0.000) 8.659 13.660 ( -11.817 10.216 0.000) 15.620 13.762 ( -33.254 23.226 0.000) 40.562 14.698 ( 0.460 0.974 0.000) 1.077 14.777 ( 0.955 -2.919 0.000) 3.071 15.535 ( -6.189 3.242 0.000) 6.987 15.759 ( 0.372 0.799 0.000) 0.881 15.800 ( -12.096 -4.255 0.000) 12.823 15.833 ( 1.890 -1.354 0.000) 2.325 16.599 ( -14.607 19.449 0.000) 24.324 17.004 ( -6.659 -4.110 0.000) 7.825 17.379 ( 19.537 3.428 0.000) 19.835 17.723 ( 21.943 -17.746 0.000) 28.221 18.933 ( -22.143 17.849 0.000) 28.441 18.959 ( -2.346 2.424 0.000) 3.374 19.006 ( -0.502 -1.047 0.000) 1.161 19.204 ( -15.316 -1.106 0.000) 15.355 19.776 ( 1.496 1.043 0.000) 1.824 19.807 ( 3.402 -0.385 0.000) 3.423 21.304 ( 9.833 1.668 0.000) 9.973 21.487 ( 5.745 -0.977 0.000) 5.827 21.497 ( 7.303 0.123 0.000) 7.304 21.665 ( 25.706 -23.259 0.000) 34.666 23.085 ( -1.993 1.631 0.000) 2.575 23.169 ( -2.972 -2.540 0.000) 3.909 23.219 ( -13.229 8.473 0.000) 15.710 23.273 ( -6.166 1.652 0.000) 6.383 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 19.313 8.881 0.000) 21.257 1.388 ( 23.875 9.575 0.000) 25.724 1.875 ( 14.668 -20.416 0.000) 25.139 1.952 ( 11.753 -6.857 0.000) 13.607 2.055 ( 29.390 20.230 0.000) 35.680 2.833 ( 2.800 5.382 0.000) 6.067 3.067 ( 17.752 2.657 0.000) 17.949 3.143 ( 9.596 -13.918 0.000) 16.906 4.333 ( 5.937 -0.918 0.000) 6.008 4.382 ( 5.120 -1.168 0.000) 5.252 4.805 ( -1.991 3.341 0.000) 3.890 4.915 ( 2.324 5.821 0.000) 6.268 4.955 ( 6.538 -2.670 0.000) 7.062 5.259 ( -1.586 0.081 0.000) 1.588 5.350 ( -3.405 -1.176 0.000) 3.602 5.481 ( -7.341 -14.635 0.000) 16.373 5.588 ( -6.628 -3.367 0.000) 7.434 5.639 ( -7.771 -6.240 0.000) 9.966 5.750 ( 14.963 2.153 0.000) 15.117 5.898 ( -2.737 4.519 0.000) 5.284 6.235 ( 7.463 2.221 0.000) 7.786 6.344 ( -7.760 2.128 0.000) 8.047 6.510 ( -10.593 -7.747 0.000) 13.124 6.655 ( -6.987 -5.833 0.000) 9.101 7.128 ( 0.652 15.182 0.000) 15.196 7.411 ( 6.687 8.912 0.000) 11.142 7.432 ( -0.918 7.785 0.000) 7.839 7.701 ( -7.245 -7.532 0.000) 10.451 7.776 ( -6.066 -1.528 0.000) 6.256 7.840 ( -7.317 0.198 0.000) 7.320 7.860 ( -2.173 4.838 0.000) 5.304 7.986 ( -0.816 1.364 0.000) 1.590 8.516 ( 0.516 1.645 0.000) 1.724 8.765 ( 3.854 -8.717 0.000) 9.531 8.818 ( 3.646 2.782 0.000) 4.586 8.945 ( 1.633 -1.917 0.000) 2.518 9.307 ( -3.001 2.929 0.000) 4.194 9.486 ( -5.310 -3.461 0.000) 6.339 10.620 ( 7.774 -2.309 0.000) 8.109 10.639 ( 9.636 -8.265 0.000) 12.695 10.863 ( -3.004 2.928 0.000) 4.195 10.998 ( -4.775 -2.263 0.000) 5.284 11.197 ( 0.402 7.610 0.000) 7.620 11.269 ( 3.904 0.374 0.000) 3.922 12.538 ( -0.416 1.799 0.000) 1.846 12.844 ( -2.160 -10.869 0.000) 11.081 13.348 ( -11.944 16.758 0.000) 20.579 13.393 ( -14.026 9.237 0.000) 16.794 14.706 ( 0.317 0.978 0.000) 1.028 14.775 ( -0.713 -1.755 0.000) 1.894 15.457 ( -2.698 -2.344 0.000) 3.574 15.568 ( -9.521 -3.743 0.000) 10.230 15.802 ( 2.480 1.746 0.000) 3.033 15.884 ( 3.297 -1.455 0.000) 3.604 16.386 ( -9.465 15.898 0.000) 18.502 16.835 ( -10.644 -5.276 0.000) 11.880 17.760 ( 18.736 2.812 0.000) 18.946 18.025 ( 11.509 -11.056 0.000) 15.959 18.628 ( -10.201 12.616 0.000) 16.224 18.898 ( -15.152 -2.054 0.000) 15.291 18.945 ( -0.834 0.758 0.000) 1.127 18.992 ( -1.153 -1.078 0.000) 1.579 19.808 ( 1.779 1.027 0.000) 2.054 19.855 ( 1.678 -0.845 0.000) 1.879 21.513 ( 11.048 3.568 0.000) 11.609 21.638 ( 10.007 -0.414 0.000) 10.016 21.697 ( 13.000 0.444 0.000) 13.007 21.975 ( 8.847 -15.788 0.000) 18.098 22.973 ( -8.095 6.617 0.000) 10.455 23.077 ( -3.318 0.962 0.000) 3.455 23.092 ( -4.792 -1.255 0.000) 4.953 23.119 ( -9.431 -0.201 0.000) 9.433 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 16.498 0.418 0.000) 16.503 1.776 ( 15.286 -2.603 0.000) 15.506 2.135 ( 11.848 -15.808 0.000) 19.756 2.158 ( 10.172 -3.887 0.000) 10.889 2.572 ( 22.377 13.499 0.000) 26.134 2.856 ( 1.484 8.061 0.000) 8.197 3.405 ( 15.621 -4.200 0.000) 16.176 3.419 ( 17.768 -0.803 0.000) 17.786 4.454 ( 6.484 0.810 0.000) 6.535 4.471 ( 4.073 2.673 0.000) 4.872 4.774 ( -0.634 6.224 0.000) 6.256 4.974 ( 3.714 3.336 0.000) 4.992 5.041 ( 1.655 -4.958 0.000) 5.227 5.222 ( -2.038 0.280 0.000) 2.057 5.273 ( -4.187 -0.608 0.000) 4.231 5.347 ( -6.282 -9.674 0.000) 11.535 5.430 ( -8.110 -1.499 0.000) 8.248 5.487 ( -7.544 -6.625 0.000) 10.040 5.835 ( -3.733 5.611 0.000) 6.739 6.053 ( 14.020 -3.517 0.000) 14.455 6.172 ( -5.980 6.335 0.000) 8.711 6.281 ( -12.161 -3.240 0.000) 12.585 6.460 ( 12.009 -5.323 0.000) 13.136 6.517 ( -6.266 -4.560 0.000) 7.749 7.110 ( -2.686 9.633 0.000) 10.001 7.410 ( -1.987 13.119 0.000) 13.268 7.520 ( 3.788 9.986 0.000) 10.680 7.532 ( -9.668 -8.080 0.000) 12.600 7.674 ( -3.774 -2.890 0.000) 4.753 7.709 ( -4.740 0.002 0.000) 4.740 7.886 ( 3.042 3.356 0.000) 4.529 8.001 ( 2.289 -0.213 0.000) 2.299 8.478 ( -3.991 0.676 0.000) 4.048 8.783 ( -2.953 -11.197 0.000) 11.579 8.893 ( 3.938 2.743 0.000) 4.799 8.964 ( 1.313 0.288 0.000) 1.344 9.257 ( -2.054 2.085 0.000) 2.927 9.385 ( -5.014 -2.762 0.000) 5.725 10.763 ( 6.632 -1.661 0.000) 6.837 10.775 ( 3.284 -2.711 0.000) 4.258 10.815 ( -0.527 -0.013 0.000) 0.527 10.903 ( -4.893 -1.699 0.000) 5.180 11.227 ( 2.854 6.995 0.000) 7.555 11.334 ( 2.681 0.174 0.000) 2.687 12.539 ( 0.319 -0.527 0.000) 0.616 12.760 ( -6.446 -10.105 0.000) 11.985 13.193 ( -6.109 7.951 0.000) 10.028 13.210 ( -4.098 7.469 0.000) 8.520 14.710 ( 0.142 0.711 0.000) 0.725 14.757 ( -1.091 -1.087 0.000) 1.540 15.416 ( -1.742 -3.053 0.000) 3.515 15.435 ( -4.548 -2.048 0.000) 4.988 15.853 ( 2.633 2.254 0.000) 3.466 15.952 ( 3.468 -1.168 0.000) 3.660 16.225 ( -6.885 11.149 0.000) 13.104 16.615 ( -11.742 -5.445 0.000) 12.943 18.069 ( 13.268 1.183 0.000) 13.321 18.200 ( 7.030 -5.696 0.000) 9.048 18.492 ( -4.531 6.811 0.000) 8.181 18.648 ( -10.719 -1.130 0.000) 10.778 18.925 ( -1.153 0.467 0.000) 1.244 18.964 ( -1.738 -1.039 0.000) 2.025 19.840 ( 1.517 0.654 0.000) 1.652 19.876 ( 0.651 -0.778 0.000) 1.014 21.713 ( 9.665 3.713 0.000) 10.354 21.861 ( 12.906 -0.625 0.000) 12.921 21.967 ( 14.557 -0.445 0.000) 14.563 22.067 ( 1.761 -6.796 0.000) 7.020 22.837 ( -6.314 3.121 0.000) 7.043 22.921 ( -10.991 -0.583 0.000) 11.006 22.999 ( -4.514 -0.212 0.000) 4.519 23.010 ( -3.836 -0.453 0.000) 3.862 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 12.344 -8.132 0.000) 14.781 1.938 ( 1.702 -15.842 0.000) 15.933 2.321 ( 7.231 -3.112 0.000) 7.873 2.325 ( 6.695 0.703 0.000) 6.732 2.880 ( 9.674 10.126 0.000) 14.004 2.913 ( 3.841 11.870 0.000) 12.476 3.678 ( 11.493 -1.738 0.000) 11.623 3.704 ( 10.920 -1.923 0.000) 11.088 4.543 ( 3.622 2.679 0.000) 4.506 4.569 ( 5.056 -1.487 0.000) 5.270 4.784 ( 1.598 6.819 0.000) 7.004 5.001 ( -5.557 -3.941 0.000) 6.813 5.064 ( 5.866 1.205 0.000) 5.989 5.189 ( -1.251 -0.090 0.000) 1.254 5.206 ( -2.536 -1.161 0.000) 2.789 5.255 ( -3.164 -4.484 0.000) 5.488 5.302 ( -4.768 0.416 0.000) 4.786 5.353 ( -6.646 -5.247 0.000) 8.468 5.778 ( -1.264 6.233 0.000) 6.360 6.005 ( -11.958 -3.425 0.000) 12.439 6.106 ( -0.721 -1.704 0.000) 1.850 6.222 ( -2.511 -8.117 0.000) 8.497 6.540 ( 10.646 4.740 0.000) 11.653 6.694 ( 11.101 1.092 0.000) 11.154 7.033 ( -4.451 2.262 0.000) 4.993 7.269 ( -11.480 2.075 0.000) 11.666 7.442 ( -0.244 4.745 0.000) 4.751 7.521 ( -2.755 6.259 0.000) 6.838 7.656 ( 0.622 1.863 0.000) 1.964 7.657 ( -0.970 1.079 0.000) 1.451 7.955 ( 3.971 1.660 0.000) 4.304 8.053 ( 1.777 0.331 0.000) 1.808 8.409 ( -1.198 -4.014 0.000) 4.188 8.660 ( -8.906 -11.353 0.000) 14.430 8.961 ( 2.972 2.454 0.000) 3.854 8.994 ( 1.250 1.240 0.000) 1.760 9.234 ( -0.249 0.823 0.000) 0.860 9.301 ( -3.654 -1.763 0.000) 4.057 10.764 ( -0.887 1.031 0.000) 1.360 10.817 ( -3.433 -1.060 0.000) 3.593 10.861 ( 2.887 -1.164 0.000) 3.113 10.861 ( 2.284 -1.774 0.000) 2.892 11.295 ( 3.744 3.967 0.000) 5.455 11.366 ( 0.550 0.428 0.000) 0.697 12.547 ( 0.537 -1.235 0.000) 1.347 12.637 ( -5.354 -4.904 0.000) 7.261 13.135 ( -0.864 3.958 0.000) 4.051 13.158 ( -1.709 3.145 0.000) 3.579 14.713 ( 0.261 0.309 0.000) 0.404 14.737 ( -0.975 -0.590 0.000) 1.139 15.381 ( -1.366 -1.031 0.000) 1.712 15.388 ( -1.141 -2.065 0.000) 2.359 15.900 ( 2.341 3.173 0.000) 3.943 15.987 ( -0.799 2.897 0.000) 3.005 16.158 ( 0.998 2.579 0.000) 2.766 16.404 ( -9.946 -4.699 0.000) 11.000 18.263 ( 6.799 -0.713 0.000) 6.836 18.294 ( 2.834 -2.760 0.000) 3.956 18.445 ( -0.668 3.552 0.000) 3.614 18.492 ( -5.395 0.840 0.000) 5.460 18.905 ( -0.791 0.063 0.000) 0.793 18.928 ( -1.817 -0.839 0.000) 2.002 19.864 ( 0.990 0.257 0.000) 1.023 19.882 ( 0.025 -0.467 0.000) 0.468 21.877 ( 7.386 3.289 0.000) 8.085 22.060 ( -1.709 -2.460 0.000) 2.995 22.121 ( 13.306 -0.225 0.000) 13.308 22.234 ( 12.592 -3.142 0.000) 12.978 22.703 ( -11.365 1.230 0.000) 11.431 22.713 ( -7.075 0.802 0.000) 7.120 22.930 ( -2.546 -0.042 0.000) 2.546 22.940 ( -3.067 -0.398 0.000) 3.093 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -7.127 -15.357 0.000) 16.930 1.876 ( 7.127 -15.357 0.000) 16.930 2.393 ( -0.024 2.323 0.000) 2.323 2.393 ( 0.024 2.323 0.000) 2.323 2.962 ( -0.185 10.595 0.000) 10.597 2.962 ( 0.185 10.595 0.000) 10.597 3.804 ( -0.903 -1.367 0.000) 1.639 3.804 ( 0.903 -1.367 0.000) 1.639 4.604 ( -1.836 -0.504 0.000) 1.904 4.604 ( 1.836 -0.504 0.000) 1.904 4.865 ( -7.113 1.045 0.000) 7.190 4.865 ( 7.113 1.045 0.000) 7.190 5.178 ( -0.376 -1.996 0.000) 2.031 5.178 ( 0.376 -1.996 0.000) 2.031 5.189 ( -5.298 1.735 0.000) 5.575 5.189 ( 5.298 1.735 0.000) 5.575 5.260 ( -0.888 -2.292 0.000) 2.458 5.260 ( 0.888 -2.292 0.000) 2.458 5.821 ( -6.216 2.531 0.000) 6.712 5.821 ( 6.216 2.531 0.000) 6.712 6.140 ( -3.892 -7.237 0.000) 8.217 6.140 ( 3.892 -7.237 0.000) 8.217 6.752 ( -7.465 8.024 0.000) 10.959 6.752 ( 7.465 8.024 0.000) 10.959 7.056 ( -9.026 -4.243 0.000) 9.974 7.056 ( 9.026 -4.243 0.000) 9.974 7.465 ( -2.409 6.050 0.000) 6.512 7.465 ( 2.409 6.050 0.000) 6.512 7.657 ( -0.414 3.240 0.000) 3.267 7.657 ( 0.414 3.240 0.000) 3.267 8.030 ( -3.478 1.660 0.000) 3.854 8.030 ( 3.478 1.660 0.000) 3.854 8.484 ( -8.135 -9.513 0.000) 12.517 8.484 ( 8.135 -9.513 0.000) 12.517 8.999 ( -0.874 1.910 0.000) 2.101 8.999 ( 0.874 1.910 0.000) 2.101 9.249 ( -1.751 -0.560 0.000) 1.839 9.249 ( 1.751 -0.560 0.000) 1.839 10.768 ( -1.406 -0.017 0.000) 1.406 10.768 ( 1.406 -0.017 0.000) 1.406 10.886 ( -0.182 -1.055 0.000) 1.070 10.886 ( 0.182 -1.055 0.000) 1.070 11.353 ( -1.965 1.706 0.000) 2.602 11.353 ( 1.965 1.706 0.000) 2.602 12.568 ( -2.027 -1.995 0.000) 2.844 12.568 ( 2.027 -1.995 0.000) 2.844 13.136 ( -0.669 2.157 0.000) 2.258 13.136 ( 0.669 2.157 0.000) 2.258 14.721 ( -0.613 -0.133 0.000) 0.628 14.721 ( 0.613 -0.133 0.000) 0.628 15.374 ( -0.333 -1.078 0.000) 1.129 15.374 ( 0.333 -1.078 0.000) 1.129 15.946 ( -2.499 4.356 0.000) 5.022 15.946 ( 2.499 4.356 0.000) 5.022 16.242 ( -6.785 -2.922 0.000) 7.387 16.242 ( 6.785 -2.922 0.000) 7.387 18.322 ( -0.109 -2.221 0.000) 2.223 18.322 ( 0.109 -2.221 0.000) 2.223 18.444 ( -0.322 2.678 0.000) 2.697 18.444 ( 0.322 2.678 0.000) 2.697 18.903 ( -0.666 -0.435 0.000) 0.795 18.903 ( 0.666 -0.435 0.000) 0.795 19.878 ( -0.473 -0.112 0.000) 0.486 19.878 ( 0.473 -0.112 0.000) 0.486 21.995 ( -4.836 1.631 0.000) 5.104 21.995 ( 4.836 1.631 0.000) 5.104 22.344 ( -6.346 -4.843 0.000) 7.983 22.344 ( 6.346 -4.843 0.000) 7.983 22.581 ( -3.641 3.054 0.000) 4.752 22.581 ( 3.641 3.054 0.000) 4.752 22.907 ( -0.232 -0.156 0.000) 0.279 22.907 ( 0.232 -0.156 0.000) 0.279 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 -25.880 0.000) 25.880 0.961 ( 0.000 25.880 0.000) 25.880 1.259 ( 0.000 -25.654 0.000) 25.654 1.259 ( 0.000 25.654 0.000) 25.654 2.264 ( 0.000 -49.796 0.000) 49.796 2.264 ( 0.000 49.796 0.000) 49.796 2.758 ( 0.000 -0.336 0.000) 0.336 2.758 ( 0.000 0.336 0.000) 0.336 4.128 ( 0.000 -2.589 0.000) 2.589 4.128 ( 0.000 2.589 0.000) 2.589 4.753 ( 0.000 -1.132 0.000) 1.132 4.753 ( 0.000 1.132 0.000) 1.132 5.268 ( 0.000 -3.177 0.000) 3.177 5.268 ( 0.000 3.177 0.000) 3.177 5.315 ( 0.000 -18.369 0.000) 18.369 5.315 ( 0.000 18.369 0.000) 18.369 5.520 ( 0.000 -11.779 0.000) 11.779 5.520 ( 0.000 11.779 0.000) 11.779 5.891 ( 0.000 -4.340 0.000) 4.340 5.891 ( 0.000 4.340 0.000) 4.340 6.391 ( 0.000 -18.459 0.000) 18.459 6.391 ( 0.000 18.459 0.000) 18.459 6.713 ( 0.000 -5.900 0.000) 5.900 6.713 ( 0.000 5.900 0.000) 5.900 7.353 ( 0.000 -6.616 0.000) 6.616 7.353 ( 0.000 6.616 0.000) 6.616 7.601 ( 0.000 -25.051 0.000) 25.051 7.601 ( 0.000 25.051 0.000) 25.051 7.923 ( 0.000 -0.073 0.000) 0.073 7.923 ( 0.000 0.073 0.000) 0.073 8.254 ( 0.000 -8.551 0.000) 8.551 8.254 ( 0.000 8.551 0.000) 8.551 8.348 ( 0.000 -3.014 0.000) 3.014 8.348 ( 0.000 3.014 0.000) 3.014 8.769 ( 0.000 -1.646 0.000) 1.646 8.769 ( 0.000 1.646 0.000) 1.646 9.517 ( 0.000 -5.860 0.000) 5.860 9.517 ( 0.000 5.860 0.000) 5.860 10.344 ( 0.000 -5.140 0.000) 5.140 10.344 ( 0.000 5.140 0.000) 5.140 11.032 ( 0.000 -5.261 0.000) 5.261 11.032 ( 0.000 5.261 0.000) 5.261 11.176 ( 0.000 -1.407 0.000) 1.407 11.176 ( 0.000 1.407 0.000) 1.407 12.700 ( 0.000 -7.763 0.000) 7.763 12.700 ( 0.000 7.763 0.000) 7.763 14.047 ( 0.000 -14.275 0.000) 14.275 14.047 ( 0.000 14.275 0.000) 14.275 14.714 ( 0.000 -1.210 0.000) 1.210 14.714 ( 0.000 1.210 0.000) 1.210 15.781 ( 0.000 -1.939 0.000) 1.939 15.781 ( 0.000 1.939 0.000) 1.939 15.827 ( 0.000 -8.467 0.000) 8.467 15.827 ( 0.000 8.467 0.000) 8.467 17.094 ( 0.000 -0.972 0.000) 0.972 17.094 ( 0.000 0.972 0.000) 0.972 17.123 ( 0.000 -0.871 0.000) 0.871 17.123 ( 0.000 0.871 0.000) 0.871 18.985 ( 0.000 -1.432 0.000) 1.432 18.985 ( 0.000 1.432 0.000) 1.432 19.398 ( 0.000 -0.613 0.000) 0.613 19.398 ( 0.000 0.613 0.000) 0.613 19.751 ( 0.000 -0.114 0.000) 0.114 19.751 ( 0.000 0.114 0.000) 0.114 21.177 ( 0.000 -1.027 0.000) 1.027 21.177 ( 0.000 1.027 0.000) 1.027 21.433 ( 0.000 -0.329 0.000) 0.329 21.433 ( 0.000 0.329 0.000) 0.329 23.140 ( 0.000 -2.583 0.000) 2.583 23.140 ( 0.000 2.583 0.000) 2.583 23.386 ( 0.000 -2.194 0.000) 2.194 23.386 ( 0.000 2.194 0.000) 2.194 ======================= Grid point 24 (14/108) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 12.734 -22.215 0.000) 25.605 1.103 ( 12.734 22.215 0.000) 25.605 1.401 ( 13.553 -16.339 0.000) 21.229 1.401 ( 13.553 16.339 0.000) 21.229 2.346 ( 8.395 -42.568 0.000) 43.388 2.346 ( 8.395 42.568 0.000) 43.388 2.847 ( 8.951 -0.099 0.000) 8.951 2.847 ( 8.951 0.099 0.000) 8.951 4.192 ( 6.133 -0.367 0.000) 6.144 4.192 ( 6.133 0.367 0.000) 6.144 4.806 ( 4.674 -0.161 0.000) 4.677 4.806 ( 4.674 0.161 0.000) 4.677 5.190 ( -4.520 -13.853 0.000) 14.572 5.190 ( -4.520 13.853 0.000) 14.572 5.345 ( -0.060 -0.904 0.000) 0.906 5.345 ( -0.060 0.904 0.000) 0.906 5.578 ( 4.445 -9.740 0.000) 10.707 5.578 ( 4.445 9.740 0.000) 10.707 5.847 ( -3.146 -4.566 0.000) 5.545 5.847 ( -3.146 4.566 0.000) 5.545 6.366 ( -2.599 -16.576 0.000) 16.779 6.366 ( -2.599 16.576 0.000) 16.779 6.654 ( -5.817 -5.527 0.000) 8.024 6.654 ( -5.817 5.527 0.000) 8.024 7.371 ( 1.504 -4.111 0.000) 4.378 7.371 ( 1.504 4.111 0.000) 4.378 7.594 ( -0.634 -19.292 0.000) 19.303 7.594 ( -0.634 19.292 0.000) 19.303 7.889 ( -3.689 -0.418 0.000) 3.713 7.889 ( -3.689 0.418 0.000) 3.713 8.075 ( -8.901 -0.068 0.000) 8.901 8.075 ( -8.901 0.068 0.000) 8.901 8.510 ( 7.560 -1.247 0.000) 7.662 8.510 ( 7.560 1.247 0.000) 7.662 8.811 ( 3.790 -2.875 0.000) 4.757 8.811 ( 3.790 2.875 0.000) 4.757 9.478 ( -3.650 -5.616 0.000) 6.698 9.478 ( -3.650 5.616 0.000) 6.698 10.417 ( 7.006 -0.828 0.000) 7.055 10.417 ( 7.006 0.828 0.000) 7.055 11.003 ( -2.799 -2.675 0.000) 3.872 11.003 ( -2.799 2.675 0.000) 3.872 11.208 ( 2.915 -0.037 0.000) 2.915 11.208 ( 2.915 0.037 0.000) 2.915 12.686 ( -1.402 -8.107 0.000) 8.227 12.686 ( -1.402 8.107 0.000) 8.227 13.851 ( -17.555 -6.455 0.000) 18.704 13.851 ( -17.555 6.455 0.000) 18.704 14.726 ( 0.835 -0.561 0.000) 1.006 14.726 ( 0.835 0.561 0.000) 1.006 15.664 ( -11.896 -3.490 0.000) 12.398 15.664 ( -11.896 3.490 0.000) 12.398 15.799 ( 1.669 -1.506 0.000) 2.248 15.799 ( 1.669 1.506 0.000) 2.248 16.875 ( -10.285 -8.332 0.000) 13.236 16.875 ( -10.285 8.332 0.000) 13.236 17.486 ( 21.031 -1.640 0.000) 21.095 17.486 ( 21.031 1.640 0.000) 21.095 18.981 ( -0.496 -0.949 0.000) 1.071 18.981 ( -0.496 0.949 0.000) 1.071 19.151 ( -18.972 -2.013 0.000) 19.079 19.151 ( -18.972 2.013 0.000) 19.079 19.795 ( 2.463 -0.144 0.000) 2.467 19.795 ( 2.463 0.144 0.000) 2.467 21.374 ( 15.027 -6.285 0.000) 16.288 21.374 ( 15.027 6.285 0.000) 16.288 21.502 ( 7.947 -0.060 0.000) 7.947 21.502 ( 7.947 0.060 0.000) 7.947 23.121 ( -2.004 -1.606 0.000) 2.568 23.121 ( -2.004 1.606 0.000) 2.568 23.289 ( -8.933 -0.022 0.000) 8.933 23.289 ( -8.933 0.022 0.000) 8.933 ======================= Grid point 26 (15/108) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 12.644 -18.086 0.000) 22.068 1.361 ( 12.644 18.086 0.000) 22.068 1.719 ( 18.221 -5.359 0.000) 18.993 1.719 ( 18.221 5.359 0.000) 18.993 2.567 ( 13.791 -24.994 0.000) 28.546 2.567 ( 13.791 24.994 0.000) 28.546 3.080 ( 14.792 -0.258 0.000) 14.794 3.080 ( 14.792 0.258 0.000) 14.794 4.337 ( 8.314 -0.240 0.000) 8.318 4.337 ( 8.314 0.240 0.000) 8.318 4.889 ( 3.092 -1.437 0.000) 3.409 4.889 ( 3.092 1.437 0.000) 3.409 5.124 ( -2.203 -14.815 0.000) 14.978 5.124 ( -2.203 14.815 0.000) 14.978 5.311 ( -3.015 -1.856 0.000) 3.541 5.311 ( -3.015 1.856 0.000) 3.541 5.568 ( -6.109 -0.836 0.000) 6.166 5.568 ( -6.109 0.836 0.000) 6.166 5.879 ( 6.639 -2.973 0.000) 7.274 5.879 ( 6.639 2.973 0.000) 7.274 6.301 ( -3.454 -7.878 0.000) 8.603 6.301 ( -3.454 7.878 0.000) 8.603 6.511 ( -8.289 -5.240 0.000) 9.806 6.511 ( -8.289 5.240 0.000) 9.806 7.387 ( -0.589 -4.597 0.000) 4.635 7.387 ( -0.589 4.597 0.000) 4.635 7.586 ( 0.202 -4.746 0.000) 4.750 7.586 ( 0.202 4.746 0.000) 4.750 7.785 ( -6.441 -1.025 0.000) 6.522 7.785 ( -6.441 1.025 0.000) 6.522 7.971 ( -2.297 -0.969 0.000) 2.493 7.971 ( -2.297 0.969 0.000) 2.493 8.597 ( 1.449 -3.499 0.000) 3.787 8.597 ( 1.449 3.499 0.000) 3.787 8.884 ( 3.395 -3.435 0.000) 4.829 8.884 ( 3.395 3.435 0.000) 4.829 9.396 ( -4.438 -4.455 0.000) 6.288 9.396 ( -4.438 4.455 0.000) 6.288 10.580 ( 9.113 -0.036 0.000) 9.113 10.580 ( 9.113 0.036 0.000) 9.113 10.935 ( -4.048 -1.953 0.000) 4.495 10.935 ( -4.048 1.953 0.000) 4.495 11.269 ( 3.035 -0.072 0.000) 3.036 11.269 ( 3.035 0.072 0.000) 3.036 12.646 ( -2.665 -8.240 0.000) 8.660 12.646 ( -2.665 8.240 0.000) 8.660 13.509 ( -15.652 -0.138 0.000) 15.653 13.509 ( -15.652 0.138 0.000) 15.653 14.735 ( 0.051 -0.544 0.000) 0.547 14.735 ( 0.051 0.544 0.000) 0.547 15.482 ( -6.624 -1.399 0.000) 6.770 15.482 ( -6.624 1.399 0.000) 6.770 15.845 ( 2.949 -1.418 0.000) 3.272 15.845 ( 2.949 1.418 0.000) 3.272 16.670 ( -11.269 -11.353 0.000) 15.996 16.670 ( -11.269 11.353 0.000) 15.996 17.851 ( 16.447 -1.361 0.000) 16.503 17.851 ( 16.447 1.361 0.000) 16.503 18.819 ( -14.528 -3.801 0.000) 15.017 18.819 ( -14.528 3.801 0.000) 15.017 18.966 ( -1.049 -0.530 0.000) 1.175 18.966 ( -1.049 0.530 0.000) 1.175 19.832 ( 1.572 -0.382 0.000) 1.618 19.832 ( 1.572 0.382 0.000) 1.618 21.603 ( 10.492 -1.629 0.000) 10.618 21.603 ( 10.492 1.629 0.000) 10.618 21.742 ( 13.727 -2.716 0.000) 13.993 21.742 ( 13.727 2.716 0.000) 13.993 23.058 ( -5.477 -1.885 0.000) 5.793 23.058 ( -5.477 1.885 0.000) 5.793 23.103 ( -8.513 -0.236 0.000) 8.516 23.103 ( -8.513 0.236 0.000) 8.516 ======================= Grid point 28 (16/108) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 8.025 -14.033 0.000) 16.166 1.560 ( 8.025 14.033 0.000) 16.166 2.056 ( 16.165 -1.077 0.000) 16.201 2.056 ( 16.165 1.077 0.000) 16.201 2.831 ( 12.671 -8.241 0.000) 15.115 2.831 ( 12.671 8.241 0.000) 15.115 3.387 ( 16.425 -0.198 0.000) 16.426 3.387 ( 16.425 0.198 0.000) 16.426 4.485 ( 6.478 -0.149 0.000) 6.480 4.485 ( 6.478 0.149 0.000) 6.480 4.919 ( 0.359 -6.529 0.000) 6.539 4.919 ( 0.359 6.529 0.000) 6.539 5.102 ( -0.335 -10.471 0.000) 10.477 5.102 ( -0.335 10.471 0.000) 10.477 5.243 ( -3.629 -0.818 0.000) 3.720 5.243 ( -3.629 0.818 0.000) 3.720 5.431 ( -6.821 -0.946 0.000) 6.887 5.431 ( -6.821 0.946 0.000) 6.887 5.961 ( -0.788 -2.838 0.000) 2.946 5.961 ( -0.788 2.838 0.000) 2.946 6.249 ( -4.697 -0.020 0.000) 4.697 6.249 ( -4.697 0.020 0.000) 4.697 6.422 ( 4.101 -1.130 0.000) 4.254 6.422 ( 4.101 1.130 0.000) 4.254 7.324 ( -6.085 -5.302 0.000) 8.071 7.324 ( -6.085 5.302 0.000) 8.071 7.596 ( -0.594 -4.984 0.000) 5.019 7.596 ( -0.594 4.984 0.000) 5.019 7.684 ( -2.431 -0.945 0.000) 2.609 7.684 ( -2.431 0.945 0.000) 2.609 7.968 ( 1.602 -1.349 0.000) 2.095 7.968 ( 1.602 1.349 0.000) 2.095 8.561 ( -5.030 -7.883 0.000) 9.351 8.561 ( -5.030 7.883 0.000) 9.351 8.945 ( 3.170 -1.999 0.000) 3.748 8.945 ( 3.170 1.999 0.000) 3.748 9.317 ( -3.622 -2.917 0.000) 4.650 9.317 ( -3.622 2.917 0.000) 4.650 10.739 ( 6.967 -0.001 0.000) 6.967 10.739 ( 6.967 0.001 0.000) 6.967 10.857 ( -3.800 -1.542 0.000) 4.101 10.857 ( -3.800 1.542 0.000) 4.101 11.319 ( 2.273 -0.725 0.000) 2.386 11.319 ( 2.273 0.725 0.000) 2.386 12.594 ( -2.548 -6.026 0.000) 6.543 12.594 ( -2.548 6.026 0.000) 6.543 13.286 ( -7.809 -0.197 0.000) 7.811 13.286 ( -7.809 0.197 0.000) 7.811 14.731 ( -0.396 -0.367 0.000) 0.540 14.731 ( -0.396 0.367 0.000) 0.540 15.397 ( -2.653 -0.198 0.000) 2.661 15.397 ( -2.653 0.198 0.000) 2.661 15.907 ( 3.440 -1.654 0.000) 3.817 15.907 ( 3.440 1.654 0.000) 3.817 16.455 ( -10.723 -10.127 0.000) 14.749 16.455 ( -10.723 10.127 0.000) 14.749 18.111 ( 10.752 -0.509 0.000) 10.764 18.111 ( 10.752 0.509 0.000) 10.764 18.601 ( -8.405 -2.054 0.000) 8.652 18.601 ( -8.405 2.054 0.000) 8.652 18.941 ( -1.520 -0.292 0.000) 1.548 18.941 ( -1.520 0.292 0.000) 1.548 19.857 ( 1.030 -0.280 0.000) 1.068 19.857 ( 1.030 0.280 0.000) 1.068 21.808 ( 10.352 -2.383 0.000) 10.622 21.808 ( 10.352 2.383 0.000) 10.622 21.971 ( 10.500 -0.396 0.000) 10.507 21.971 ( 10.500 0.396 0.000) 10.507 22.894 ( -9.335 -0.325 0.000) 9.341 22.894 ( -9.335 0.325 0.000) 9.341 23.001 ( -4.204 -0.024 0.000) 4.205 23.001 ( -4.204 0.024 0.000) 4.205 ======================= Grid point 30 (17/108) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 3.708 -7.697 0.000) 8.543 1.672 ( 3.708 7.697 0.000) 8.543 2.310 ( 9.626 -0.104 0.000) 9.626 2.310 ( 9.626 0.104 0.000) 9.626 3.023 ( 6.911 -0.751 0.000) 6.952 3.023 ( 6.911 0.751 0.000) 6.952 3.668 ( 11.594 -0.095 0.000) 11.594 3.668 ( 11.594 0.095 0.000) 11.594 4.570 ( 2.607 -0.046 0.000) 2.607 4.570 ( 2.607 0.046 0.000) 2.607 4.908 ( -1.492 -4.476 0.000) 4.719 4.908 ( -1.492 4.476 0.000) 4.719 5.116 ( 1.974 -4.624 0.000) 5.028 5.116 ( 1.974 4.624 0.000) 5.028 5.192 ( -1.226 -0.010 0.000) 1.226 5.192 ( -1.226 0.010 0.000) 1.226 5.320 ( -5.042 -0.861 0.000) 5.115 5.320 ( -5.042 0.861 0.000) 5.115 5.893 ( -4.086 -3.416 0.000) 5.326 5.893 ( -4.086 3.416 0.000) 5.326 6.122 ( -6.196 -1.736 0.000) 6.435 6.122 ( -6.196 1.736 0.000) 6.435 6.639 ( 14.561 -2.512 0.000) 14.776 6.639 ( 14.561 2.512 0.000) 14.776 7.163 ( -10.424 -3.960 0.000) 11.151 7.163 ( -10.424 3.960 0.000) 11.151 7.547 ( -2.742 -2.066 0.000) 3.433 7.547 ( -2.742 2.066 0.000) 3.433 7.701 ( 2.146 -0.108 0.000) 2.148 7.701 ( 2.146 0.108 0.000) 2.148 8.025 ( 4.082 -2.230 0.000) 4.652 8.025 ( 4.082 2.230 0.000) 4.652 8.427 ( -7.930 -8.517 0.000) 11.637 8.427 ( -7.930 8.517 0.000) 11.637 8.999 ( 2.202 -0.947 0.000) 2.397 8.999 ( 2.202 0.947 0.000) 2.397 9.262 ( -2.025 -1.450 0.000) 2.490 9.262 ( -2.025 1.450 0.000) 2.490 10.790 ( -2.078 -0.604 0.000) 2.164 10.790 ( -2.078 0.604 0.000) 2.164 10.844 ( 2.987 -0.003 0.000) 2.987 10.844 ( 2.987 0.003 0.000) 2.987 11.357 ( 1.599 -1.256 0.000) 2.033 11.357 ( 1.599 1.256 0.000) 2.033 12.556 ( -1.285 -2.519 0.000) 2.828 12.556 ( -1.285 2.519 0.000) 2.828 13.189 ( -2.914 -0.308 0.000) 2.930 13.189 ( -2.914 0.308 0.000) 2.930 14.723 ( -0.340 -0.179 0.000) 0.384 14.723 ( -0.340 0.179 0.000) 0.384 15.367 ( -0.768 -0.001 0.000) 0.768 15.367 ( -0.768 0.001 0.000) 0.768 15.972 ( 3.111 -2.050 0.000) 3.725 15.972 ( 3.111 2.050 0.000) 3.725 16.277 ( -7.421 -7.571 0.000) 10.601 16.277 ( -7.421 7.571 0.000) 10.601 18.260 ( 4.671 -0.053 0.000) 4.672 18.260 ( 4.671 0.053 0.000) 4.672 18.493 ( -2.904 -0.211 0.000) 2.912 18.493 ( -2.904 0.211 0.000) 2.912 18.912 ( -1.359 -0.131 0.000) 1.365 18.912 ( -1.359 0.131 0.000) 1.365 19.872 ( 0.496 -0.127 0.000) 0.512 19.872 ( 0.496 0.127 0.000) 0.512 21.966 ( 5.522 -4.181 0.000) 6.926 21.966 ( 5.522 4.181 0.000) 6.926 22.164 ( 9.734 -3.443 0.000) 10.325 22.164 ( 9.734 3.443 0.000) 10.325 22.721 ( -8.552 -0.006 0.000) 8.552 22.721 ( -8.552 0.006 0.000) 8.552 22.932 ( -2.718 -0.018 0.000) 2.718 22.932 ( -2.718 0.018 0.000) 2.718 ======================= Grid point 32 (18/108) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 -0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 -0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 -0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 -0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 -0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.218 ( -0.000 -0.000 0.000) 0.000 5.218 ( -0.000 0.000 0.000) 0.000 5.235 ( 0.000 -0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 -0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.878 ( -0.000 -0.000 0.000) 0.000 6.878 ( -0.000 0.000 0.000) 0.000 6.968 ( 0.000 -0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 -0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 8.085 ( -0.000 -0.000 0.000) 0.000 8.085 ( 0.000 -0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 -0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 14.720 ( 0.000 0.000 0.000) 0.000 14.720 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 16.009 ( 0.000 -0.000 0.000) 0.000 16.009 ( 0.000 0.000 0.000) 0.000 16.196 ( -0.000 -0.000 0.000) 0.000 16.196 ( -0.000 0.000 0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 18.473 ( 0.000 0.000 0.000) 0.000 18.473 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 0.000) 0.000 19.877 ( 0.000 0.000 0.000) 0.000 19.877 ( 0.000 0.000 0.000) 0.000 22.018 ( 0.000 -0.000 0.000) 0.000 22.018 ( 0.000 0.000 0.000) 0.000 22.287 ( 0.000 0.000 0.000) 0.000 22.287 ( 0.000 0.000 0.000) 0.000 22.613 ( 0.000 0.000 0.000) 0.000 22.613 ( 0.000 0.000 0.000) 0.000 22.905 ( 0.000 -0.000 0.000) 0.000 22.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 0.000 33.186) 33.186 0.682 ( 0.000 0.000 32.678) 32.678 1.210 ( 0.000 0.000 56.861) 56.861 1.853 ( 0.000 0.000 7.643) 7.643 2.160 ( 0.000 0.000 22.325) 22.325 2.605 ( 0.000 0.000 3.602) 3.602 2.618 ( 0.000 0.000 11.191) 11.191 3.158 ( 0.000 0.000 -20.459) 20.459 4.378 ( 0.000 0.000 9.492) 9.492 4.591 ( 0.000 0.000 -12.475) 12.475 4.709 ( 0.000 0.000 -5.520) 5.520 4.803 ( 0.000 0.000 -0.495) 0.495 4.905 ( 0.000 0.000 9.651) 9.651 4.920 ( 0.000 0.000 -0.395) 0.395 5.311 ( 0.000 0.000 -10.848) 10.848 5.328 ( 0.000 0.000 -0.447) 0.447 5.797 ( 0.000 0.000 -8.169) 8.169 5.839 ( 0.000 0.000 -2.169) 2.169 5.891 ( 0.000 0.000 7.212) 7.212 6.012 ( 0.000 0.000 3.412) 3.412 6.027 ( 0.000 0.000 3.486) 3.486 6.650 ( 0.000 0.000 4.981) 4.981 6.745 ( 0.000 0.000 -3.102) 3.102 6.754 ( 0.000 0.000 -0.415) 0.415 6.847 ( 0.000 0.000 -0.846) 0.846 7.304 ( 0.000 0.000 -3.155) 3.155 7.410 ( 0.000 0.000 9.113) 9.113 7.441 ( 0.000 0.000 -1.352) 1.352 7.883 ( 0.000 0.000 -8.336) 8.336 7.925 ( 0.000 0.000 -2.024) 2.024 7.944 ( 0.000 0.000 1.488) 1.488 8.281 ( 0.000 0.000 -1.466) 1.466 8.300 ( 0.000 0.000 5.550) 5.550 8.699 ( 0.000 0.000 -1.824) 1.824 8.786 ( 0.000 0.000 -1.249) 1.249 8.964 ( 0.000 0.000 -9.154) 9.154 9.359 ( 0.000 0.000 0.680) 0.680 9.662 ( 0.000 0.000 0.690) 0.690 10.400 ( 0.000 0.000 16.929) 16.929 10.604 ( 0.000 0.000 -14.928) 14.928 10.626 ( 0.000 0.000 -19.173) 19.173 11.268 ( 0.000 0.000 7.776) 7.776 11.300 ( 0.000 0.000 9.064) 9.064 12.292 ( 0.000 0.000 -13.778) 13.778 12.883 ( 0.000 0.000 13.274) 13.274 12.971 ( 0.000 0.000 1.530) 1.530 13.050 ( 0.000 0.000 1.585) 1.585 13.547 ( 0.000 0.000 -9.330) 9.330 14.859 ( 0.000 0.000 10.527) 10.527 15.435 ( 0.000 0.000 -2.959) 2.959 15.667 ( 0.000 0.000 6.611) 6.611 15.739 ( 0.000 0.000 0.723) 0.723 15.835 ( 0.000 0.000 0.584) 0.584 15.967 ( 0.000 0.000 -3.641) 3.641 16.290 ( 0.000 0.000 -1.663) 1.663 17.094 ( 0.000 0.000 -0.876) 0.876 17.242 ( 0.000 0.000 15.333) 15.333 18.463 ( 0.000 0.000 0.676) 0.676 18.892 ( 0.000 0.000 -3.333) 3.333 19.028 ( 0.000 0.000 3.182) 3.182 19.039 ( 0.000 0.000 1.722) 1.722 19.252 ( 0.000 0.000 -11.257) 11.257 19.733 ( 0.000 0.000 -2.075) 2.075 19.761 ( 0.000 0.000 0.185) 0.185 21.209 ( 0.000 0.000 5.519) 5.519 21.247 ( 0.000 0.000 4.245) 4.245 21.482 ( 0.000 0.000 3.786) 3.786 22.242 ( 0.000 0.000 0.933) 0.933 22.397 ( 0.000 0.000 -1.547) 1.547 23.049 ( 0.000 0.000 -3.595) 3.595 23.198 ( 0.000 0.000 -4.872) 4.872 23.230 ( 0.000 0.000 -5.588) 5.588 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 13.620 0.000 21.483) 25.436 0.824 ( 14.477 0.000 25.041) 28.925 1.559 ( 26.029 0.000 37.134) 45.348 1.946 ( 9.283 0.000 7.582) 11.986 2.229 ( 7.394 0.000 25.246) 26.306 2.556 ( 2.229 0.000 0.768) 2.358 2.849 ( 14.975 0.000 11.056) 18.614 3.141 ( -0.729 0.000 -17.834) 17.849 4.335 ( -2.855 0.000 3.138) 4.243 4.348 ( -9.246 0.000 -3.047) 9.736 4.812 ( 8.869 0.000 -1.727) 9.036 4.880 ( -2.698 0.000 -2.265) 3.523 4.912 ( 0.737 0.000 8.841) 8.872 5.121 ( 11.072 0.000 -11.345) 15.852 5.286 ( -0.891 0.000 -10.165) 10.204 5.400 ( 7.533 0.000 -4.528) 8.789 5.726 ( -7.177 0.000 -6.516) 9.693 5.793 ( -3.585 0.000 -1.785) 4.005 5.840 ( -4.837 0.000 7.447) 8.880 6.033 ( 1.578 0.000 2.048) 2.585 6.037 ( 0.703 0.000 3.163) 3.240 6.597 ( -5.479 0.000 5.698) 7.905 6.690 ( -4.363 0.000 -2.806) 5.187 6.813 ( -2.946 0.000 -1.888) 3.499 6.831 ( 5.495 0.000 2.000) 5.848 7.222 ( -1.532 0.000 -0.740) 1.702 7.370 ( -4.241 0.000 6.317) 7.609 7.547 ( 5.631 0.000 -5.825) 8.101 7.819 ( -6.516 0.000 -2.414) 6.949 7.991 ( 0.828 0.000 4.275) 4.355 8.039 ( 8.873 0.000 -4.766) 10.071 8.128 ( -5.780 0.000 1.184) 5.900 8.421 ( 4.599 0.000 0.763) 4.662 8.724 ( 2.447 0.000 -1.299) 2.770 8.809 ( 2.257 0.000 -1.212) 2.562 8.878 ( -6.492 0.000 -4.302) 7.788 9.332 ( -2.116 0.000 0.301) 2.138 9.619 ( -4.209 0.000 0.446) 4.233 10.423 ( 2.763 0.000 12.514) 12.816 10.566 ( -1.549 0.000 -19.417) 19.479 10.684 ( 3.393 0.000 -15.485) 15.853 11.250 ( -1.279 0.000 8.972) 9.062 11.318 ( 1.472 0.000 7.883) 8.019 11.916 ( -30.241 0.000 15.451) 33.960 12.759 ( -4.814 0.000 20.189) 20.755 12.971 ( 0.233 0.000 0.489) 0.541 13.070 ( 1.849 0.000 2.253) 2.914 13.447 ( -10.092 0.000 -8.092) 12.936 14.827 ( -2.806 0.000 10.660) 11.023 15.136 ( -14.524 0.000 15.790) 21.454 15.588 ( -2.118 0.000 3.665) 4.233 15.750 ( 1.049 0.000 0.302) 1.092 15.857 ( 2.280 0.000 0.953) 2.471 16.065 ( -8.703 0.000 13.841) 16.350 16.254 ( -3.540 0.000 -1.492) 3.841 17.038 ( -5.796 0.000 -0.801) 5.851 17.121 ( 6.036 0.000 -2.801) 6.654 18.447 ( -1.576 0.000 0.451) 1.639 18.650 ( -10.517 0.000 21.878) 24.274 18.977 ( -1.113 0.000 3.903) 4.059 19.042 ( 0.201 0.000 2.614) 2.622 19.120 ( -11.968 0.000 -8.553) 14.710 19.724 ( 0.470 0.000 -3.093) 3.129 19.819 ( 3.539 0.000 -0.206) 3.545 21.310 ( 6.149 0.000 2.376) 6.592 21.380 ( 10.987 0.000 -5.820) 12.433 21.541 ( 6.006 0.000 4.324) 7.400 22.231 ( -1.087 0.000 0.749) 1.320 22.613 ( 9.841 0.000 -14.852) 17.816 23.034 ( -1.596 0.000 -3.758) 4.083 23.188 ( -4.286 0.000 -5.275) 6.797 23.202 ( -0.328 0.000 -3.262) 3.278 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 18.954 0.000 14.242) 23.709 1.163 ( 27.994 0.000 -0.365) 27.996 2.015 ( 19.932 0.000 14.757) 24.800 2.169 ( 12.733 0.000 6.511) 14.301 2.450 ( 15.149 0.000 30.978) 34.484 2.645 ( 4.060 0.000 -2.688) 4.869 3.029 ( 4.052 0.000 -11.793) 12.470 3.290 ( 17.336 0.000 7.841) 19.027 4.258 ( -1.413 0.000 -8.406) 8.524 4.307 ( 0.340 0.000 -4.747) 4.759 4.810 ( -4.212 0.000 -0.963) 4.320 4.936 ( 2.024 0.000 6.661) 6.962 4.987 ( 7.999 0.000 0.048) 7.999 5.187 ( -0.247 0.000 -5.213) 5.218 5.257 ( -2.668 0.000 -8.858) 9.251 5.561 ( -9.187 0.000 -3.679) 9.896 5.584 ( 6.574 0.000 -9.347) 11.428 5.717 ( -4.005 0.000 -1.585) 4.307 5.741 ( -3.392 0.000 5.787) 6.708 6.031 ( -1.336 0.000 5.306) 5.471 6.060 ( 1.155 0.000 0.763) 1.385 6.500 ( -2.540 0.000 3.347) 4.202 6.565 ( -8.685 0.000 0.115) 8.685 6.735 ( -4.925 0.000 -0.276) 4.933 6.945 ( 5.315 0.000 2.859) 6.035 7.250 ( 2.983 0.000 -3.460) 4.568 7.256 ( -6.960 0.000 -1.185) 7.060 7.651 ( 5.572 0.000 -5.944) 8.147 7.708 ( -4.466 0.000 -0.629) 4.510 7.925 ( -9.249 0.000 6.506) 11.308 7.971 ( -2.720 0.000 8.417) 8.845 8.224 ( 3.347 0.000 8.445) 9.084 8.465 ( 0.984 0.000 -1.865) 2.108 8.785 ( 3.705 0.000 -0.517) 3.741 8.814 ( -0.026 0.000 -9.119) 9.119 8.865 ( 3.298 0.000 -1.176) 3.502 9.291 ( -2.080 0.000 0.366) 2.112 9.519 ( -5.762 0.000 0.017) 5.762 10.510 ( 6.149 0.000 5.215) 8.063 10.551 ( -0.161 0.000 -20.590) 20.591 10.732 ( 1.129 0.000 -15.007) 15.049 11.236 ( 0.272 0.000 10.102) 10.106 11.352 ( 1.954 0.000 6.087) 6.393 11.455 ( -17.099 0.000 23.151) 28.780 12.712 ( -1.412 0.000 14.694) 14.762 12.985 ( 1.257 0.000 -0.951) 1.576 13.109 ( 1.878 0.000 2.747) 3.327 13.194 ( -15.053 0.000 -4.913) 15.834 14.784 ( -1.255 0.000 9.076) 9.162 14.980 ( -4.481 0.000 13.934) 14.637 15.548 ( -2.278 0.000 3.402) 4.094 15.776 ( 1.651 0.000 -0.708) 1.796 15.802 ( -13.250 0.000 18.884) 23.069 15.917 ( 3.789 0.000 1.826) 4.206 16.169 ( -4.777 0.000 -0.881) 4.858 16.880 ( -10.312 0.000 -0.735) 10.338 17.432 ( 20.044 0.000 -17.442) 26.570 18.407 ( -2.432 0.000 -0.142) 2.436 18.550 ( -2.373 0.000 18.488) 18.639 18.861 ( -13.756 0.000 -5.265) 14.729 18.959 ( -0.790 0.000 3.446) 3.535 19.044 ( -0.097 0.000 3.843) 3.844 19.748 ( 1.737 0.000 -4.048) 4.405 19.870 ( 1.751 0.000 -0.214) 1.764 21.461 ( 9.056 0.000 -0.712) 9.084 21.610 ( 13.296 0.000 -7.001) 15.027 21.699 ( 9.996 0.000 4.709) 11.049 22.200 ( -2.148 0.000 0.301) 2.169 22.687 ( -0.290 0.000 -13.536) 13.539 22.990 ( -2.701 0.000 -3.473) 4.400 23.070 ( -7.899 0.000 -4.447) 9.065 23.172 ( -2.678 0.000 0.469) 2.719 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 18.641 0.000 7.187) 19.978 1.688 ( 25.365 0.000 -4.256) 25.719 2.310 ( 10.822 0.000 9.681) 14.520 2.420 ( 13.621 0.000 3.449) 14.051 2.606 ( -7.550 0.000 -3.081) 8.155 2.733 ( 12.134 0.000 22.260) 25.352 3.212 ( 14.737 0.000 -15.615) 21.471 3.622 ( 14.641 0.000 9.764) 17.598 4.273 ( 2.978 0.000 -10.846) 11.247 4.365 ( 6.225 0.000 -8.726) 10.719 4.731 ( -3.802 0.000 -1.271) 4.009 4.988 ( 3.386 0.000 4.335) 5.500 5.082 ( 1.214 0.000 -1.541) 1.962 5.161 ( -2.775 0.000 -4.191) 5.026 5.207 ( -1.222 0.000 -5.245) 5.385 5.395 ( -7.729 0.000 -1.449) 7.864 5.530 ( -7.615 0.000 2.841) 8.128 5.656 ( -1.928 0.000 -0.804) 2.090 5.693 ( -7.485 0.000 -1.327) 7.602 6.069 ( -0.866 0.000 -1.464) 1.701 6.093 ( 9.904 0.000 1.422) 10.005 6.377 ( -9.611 0.000 5.282) 10.967 6.514 ( 2.743 0.000 -3.883) 4.755 6.625 ( -6.482 0.000 3.944) 7.587 7.003 ( 0.307 0.000 1.122) 1.163 7.141 ( -4.120 0.000 -7.160) 8.261 7.304 ( 2.461 0.000 -2.745) 3.687 7.657 ( -0.789 0.000 2.429) 2.554 7.753 ( -5.221 0.000 7.558) 9.186 7.775 ( 4.207 0.000 -3.228) 5.303 7.899 ( -4.378 0.000 10.713) 11.573 8.228 ( -1.566 0.000 14.630) 14.713 8.483 ( 0.981 0.000 -1.463) 1.761 8.816 ( -1.155 0.000 -10.149) 10.215 8.859 ( 3.847 0.000 -0.341) 3.862 8.925 ( 2.787 0.000 -1.188) 3.029 9.253 ( -1.705 0.000 1.959) 2.597 9.411 ( -5.328 0.000 0.242) 5.334 10.555 ( 0.477 0.000 -18.887) 18.893 10.646 ( 7.658 0.000 0.886) 7.709 10.721 ( -2.049 0.000 -14.529) 14.673 11.213 ( -9.400 0.000 15.698) 18.297 11.268 ( 2.927 0.000 9.001) 9.465 11.388 ( 1.638 0.000 4.405) 4.699 12.683 ( -1.705 0.000 10.652) 10.788 12.916 ( -13.014 0.000 -1.184) 13.068 13.018 ( 2.085 0.000 -1.696) 2.688 13.135 ( 0.716 0.000 2.331) 2.438 14.776 ( 0.297 0.000 7.897) 7.902 14.913 ( -2.951 0.000 11.855) 12.217 15.503 ( -2.252 0.000 4.792) 5.295 15.609 ( -7.125 0.000 14.355) 16.026 15.810 ( 1.855 0.000 -1.676) 2.500 15.984 ( 2.030 0.000 3.105) 3.710 16.099 ( -1.285 0.000 -0.323) 1.325 16.661 ( -11.959 0.000 -0.856) 11.990 17.795 ( 17.211 0.000 -16.370) 23.753 18.362 ( -2.050 0.000 -0.900) 2.239 18.510 ( -2.538 0.000 9.518) 9.850 18.622 ( -10.812 0.000 -3.393) 11.331 18.949 ( -0.097 0.000 4.705) 4.706 19.036 ( -0.761 0.000 5.044) 5.101 19.785 ( 2.037 0.000 -4.043) 4.527 19.888 ( 0.183 0.000 -0.442) 0.478 21.642 ( 9.533 0.000 -2.400) 9.831 21.883 ( 14.820 0.000 -8.061) 16.871 21.909 ( 11.572 0.000 3.500) 12.090 22.150 ( -2.937 0.000 -0.019) 2.937 22.643 ( -3.870 0.000 -12.793) 13.365 22.891 ( -10.614 0.000 -3.274) 11.108 22.942 ( -2.050 0.000 -1.745) 2.692 23.105 ( -4.142 0.000 2.389) 4.782 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 16.653 0.000 2.830) 16.892 2.106 ( 17.921 0.000 -0.255) 17.923 2.411 ( -12.044 0.000 -1.930) 12.197 2.433 ( 1.692 0.000 10.169) 10.309 2.665 ( 11.190 0.000 1.101) 11.244 2.872 ( 2.231 0.000 9.147) 9.416 3.513 ( 14.967 0.000 -13.833) 20.381 3.792 ( 2.731 0.000 0.381) 2.757 4.375 ( 7.582 0.000 -9.852) 12.432 4.554 ( 12.781 0.000 -5.943) 14.095 4.658 ( -4.396 0.000 -3.656) 5.717 5.002 ( -6.670 0.000 -1.818) 6.913 5.082 ( 3.742 0.000 0.974) 3.867 5.111 ( -1.343 0.000 -5.379) 5.544 5.203 ( -0.669 0.000 -1.875) 1.990 5.273 ( -5.298 0.000 -0.357) 5.311 5.378 ( -6.415 0.000 4.054) 7.589 5.509 ( -9.277 0.000 4.135) 10.156 5.658 ( 2.564 0.000 -0.360) 2.589 5.967 ( -9.968 0.000 -3.363) 10.520 6.284 ( 0.860 0.000 10.406) 10.441 6.320 ( 11.651 0.000 -6.685) 13.432 6.491 ( -7.268 0.000 8.072) 10.862 6.553 ( 0.194 0.000 -9.342) 9.344 6.993 ( 0.103 0.000 -5.388) 5.389 7.083 ( -2.946 0.000 -6.125) 6.796 7.358 ( 3.800 0.000 2.296) 4.439 7.608 ( -7.674 0.000 8.583) 11.513 7.674 ( 2.312 0.000 5.780) 6.225 7.813 ( -4.392 0.000 10.639) 11.510 7.922 ( 8.255 0.000 -1.292) 8.355 8.176 ( -4.043 0.000 8.990) 9.857 8.521 ( 3.524 0.000 2.749) 4.470 8.749 ( -5.674 0.000 -4.985) 7.553 8.925 ( 2.915 0.000 -0.629) 2.982 8.964 ( 1.103 0.000 -1.156) 1.598 9.235 ( 0.032 0.000 2.322) 2.322 9.320 ( -4.105 0.000 0.982) 4.221 10.571 ( 1.326 0.000 -16.255) 16.309 10.666 ( -3.268 0.000 -13.872) 14.252 10.793 ( 7.521 0.000 0.522) 7.539 11.062 ( -6.964 0.000 8.565) 11.039 11.334 ( 3.529 0.000 6.449) 7.351 11.407 ( 0.144 0.000 3.808) 3.811 12.650 ( -1.444 0.000 7.114) 7.259 12.722 ( -6.922 0.000 2.158) 7.251 13.062 ( 2.385 0.000 -1.480) 2.806 13.133 ( -0.849 0.000 1.126) 1.411 14.791 ( 1.174 0.000 8.058) 8.143 14.862 ( -2.440 0.000 10.295) 10.580 15.470 ( -0.957 0.000 6.960) 7.025 15.512 ( -3.344 0.000 10.708) 11.218 15.850 ( 2.448 0.000 -1.324) 2.783 15.965 ( -2.812 0.000 2.786) 3.958 16.150 ( 5.212 0.000 0.338) 5.223 16.443 ( -10.391 0.000 -0.847) 10.426 18.085 ( 13.050 0.000 -12.269) 17.911 18.338 ( -0.220 0.000 -1.595) 1.610 18.436 ( -5.422 0.000 0.391) 5.436 18.453 ( -6.757 0.000 -2.553) 7.223 18.958 ( 1.009 0.000 6.265) 6.345 19.015 ( -1.425 0.000 6.064) 6.229 19.823 ( 1.915 0.000 -3.328) 3.839 19.880 ( -0.879 0.000 -1.171) 1.464 21.814 ( 8.226 0.000 -2.600) 8.627 22.048 ( -2.526 0.000 -1.766) 3.082 22.159 ( 13.540 0.000 -9.830) 16.732 22.176 ( 10.945 0.000 2.601) 11.250 22.545 ( -6.464 0.000 -12.729) 14.276 22.669 ( -12.449 0.000 -1.776) 12.575 22.921 ( 0.080 0.000 0.418) 0.426 23.020 ( -4.440 0.000 2.943) 5.327 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -14.381 0.000 0.041) 14.381 2.157 ( 14.381 0.000 0.041) 14.381 2.364 ( -8.775 0.000 5.981) 10.620 2.364 ( 8.775 0.000 5.981) 10.620 2.832 ( -5.878 0.000 2.367) 6.337 2.832 ( 5.878 0.000 2.367) 6.337 3.739 ( -7.824 0.000 -8.773) 11.755 3.739 ( 7.824 0.000 -8.773) 11.755 4.538 ( -8.216 0.000 -6.947) 10.759 4.538 ( 8.216 0.000 -6.947) 10.759 4.807 ( -12.538 0.000 -3.404) 12.991 4.807 ( 12.538 0.000 -3.404) 12.991 5.137 ( -4.073 0.000 -4.889) 6.363 5.137 ( 4.073 0.000 -4.889) 6.363 5.174 ( -5.175 0.000 0.245) 5.181 5.174 ( 5.175 0.000 0.245) 5.181 5.371 ( -4.721 0.000 6.445) 7.990 5.371 ( 4.721 0.000 6.445) 7.990 5.769 ( -8.957 0.000 -0.835) 8.995 5.769 ( 8.957 0.000 -0.835) 8.995 6.360 ( -5.985 0.000 9.727) 11.420 6.360 ( 5.985 0.000 9.727) 11.420 6.497 ( -6.243 0.000 -10.627) 12.325 6.497 ( 6.243 0.000 -10.627) 12.325 7.024 ( -2.808 0.000 -6.545) 7.122 7.024 ( 2.808 0.000 -6.545) 7.122 7.463 ( -7.010 0.000 6.715) 9.707 7.463 ( 7.010 0.000 6.715) 9.707 7.735 ( -3.753 0.000 8.764) 9.533 7.735 ( 3.753 0.000 8.764) 9.533 8.071 ( -6.888 0.000 3.417) 7.688 8.071 ( 6.888 0.000 3.417) 7.688 8.623 ( -6.687 0.000 0.973) 6.757 8.623 ( 6.687 0.000 0.973) 6.757 8.965 ( -1.064 0.000 -0.971) 1.441 8.965 ( 1.064 0.000 -0.971) 1.441 9.258 ( -2.274 0.000 1.684) 2.829 9.258 ( 2.274 0.000 1.684) 2.829 10.608 ( -2.580 0.000 -14.392) 14.622 10.608 ( 2.580 0.000 -14.392) 14.622 10.931 ( -6.907 0.000 3.361) 7.682 10.931 ( 6.907 0.000 3.361) 7.682 11.389 ( -1.989 0.000 4.540) 4.957 11.389 ( 1.989 0.000 4.540) 4.957 12.645 ( -1.433 0.000 4.552) 4.772 12.645 ( 1.433 0.000 4.552) 4.772 13.105 ( -2.004 0.000 -0.376) 2.039 13.105 ( 2.004 0.000 -0.376) 2.039 14.820 ( -1.869 0.000 8.980) 9.173 14.820 ( 1.869 0.000 8.980) 9.173 15.471 ( -1.065 0.000 8.655) 8.721 15.471 ( 1.065 0.000 8.655) 8.721 15.905 ( -3.169 0.000 0.806) 3.270 15.905 ( 3.169 0.000 0.806) 3.270 16.271 ( -7.517 0.000 -0.181) 7.519 16.271 ( 7.517 0.000 -0.181) 7.519 18.297 ( -9.120 0.000 -6.809) 11.382 18.297 ( 9.120 0.000 -6.809) 11.382 18.362 ( -2.878 0.000 -2.105) 3.565 18.362 ( 2.878 0.000 -2.105) 3.565 18.985 ( -1.619 0.000 6.662) 6.856 18.985 ( 1.619 0.000 6.662) 6.856 19.857 ( -1.543 0.000 -2.243) 2.722 19.857 ( 1.543 0.000 -2.243) 2.722 21.954 ( -6.270 0.000 -2.178) 6.637 21.954 ( 6.270 0.000 -2.178) 6.637 22.388 ( -10.073 0.000 -11.759) 15.483 22.388 ( 10.073 0.000 -11.759) 15.483 22.420 ( -13.252 0.000 0.170) 13.253 22.420 ( 13.252 0.000 0.170) 13.253 22.948 ( -2.744 0.000 2.241) 3.542 22.948 ( 2.744 0.000 2.241) 3.542 ======================= Grid point 66 (25/108) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 11.314 25.467) 27.867 0.865 ( 0.000 21.385 17.673) 27.742 1.571 ( 0.000 -5.461 12.677) 13.803 1.716 ( 0.000 22.310 39.010) 44.939 1.932 ( 0.000 -19.888 18.790) 27.361 2.711 ( 0.000 6.077 3.666) 7.097 2.747 ( 0.000 8.836 9.158) 12.726 2.984 ( 0.000 -16.626 -7.304) 18.159 4.242 ( 0.000 -10.022 7.079) 12.270 4.296 ( 0.000 -15.186 -2.745) 15.432 4.784 ( 0.000 0.000 3.083) 3.083 4.810 ( 0.000 1.861 -1.691) 2.514 4.998 ( 0.000 8.860 -0.381) 8.868 5.067 ( 0.000 11.580 2.338) 11.813 5.263 ( 0.000 -2.431 -1.290) 2.753 5.308 ( 0.000 0.151 -10.185) 10.186 5.702 ( 0.000 -9.793 -4.363) 10.721 5.740 ( 0.000 -19.333 3.408) 19.631 5.920 ( 0.000 2.342 6.686) 7.085 5.988 ( 0.000 14.492 -4.954) 15.315 6.016 ( 0.000 -2.132 3.053) 3.723 6.607 ( 0.000 -7.103 -1.918) 7.358 6.727 ( 0.000 -3.694 1.930) 4.168 6.782 ( 0.000 0.505 -3.085) 3.126 7.079 ( 0.000 19.510 -0.564) 19.518 7.230 ( 0.000 0.699 2.259) 2.365 7.494 ( 0.000 5.637 4.597) 7.274 7.669 ( 0.000 11.093 -12.422) 16.654 7.856 ( 0.000 -1.763 -8.667) 8.844 7.962 ( 0.000 0.936 0.005) 0.936 7.967 ( 0.000 2.947 -4.637) 5.495 8.170 ( 0.000 -12.440 5.937) 13.785 8.344 ( 0.000 6.514 0.221) 6.518 8.694 ( 0.000 -1.627 -1.319) 2.095 8.779 ( 0.000 -0.818 -1.529) 1.733 8.819 ( 0.000 -10.356 -0.867) 10.393 9.408 ( 0.000 4.778 0.497) 4.803 9.624 ( 0.000 -3.822 0.673) 3.881 10.412 ( 0.000 1.696 9.766) 9.912 10.561 ( 0.000 -3.946 -9.574) 10.355 10.704 ( 0.000 7.123 -10.915) 13.033 11.148 ( 0.000 -12.574 11.170) 16.819 11.327 ( 0.000 2.703 9.799) 10.165 11.662 ( 0.000 -26.189 23.422) 35.135 12.628 ( 0.000 2.156 6.393) 6.746 12.880 ( 0.000 -7.534 1.703) 7.724 13.657 ( 0.000 9.165 -10.654) 14.054 13.742 ( 0.000 17.955 -23.999) 29.972 14.854 ( 0.000 -0.201 10.567) 10.569 15.072 ( 0.000 -17.982 12.612) 21.964 15.711 ( 0.000 4.340 4.260) 6.082 15.761 ( 0.000 1.788 1.464) 2.310 15.821 ( 0.000 -1.351 0.596) 1.477 15.929 ( 0.000 -3.690 -2.539) 4.479 16.631 ( 0.000 18.113 -12.478) 21.995 17.028 ( 0.000 -5.423 -1.801) 5.714 17.324 ( 0.000 7.064 16.416) 17.872 17.889 ( 0.000 -27.504 28.009) 39.255 18.978 ( 0.000 1.454 1.234) 1.907 19.029 ( 0.000 -0.956 1.785) 2.025 19.176 ( 0.000 5.959 -13.944) 15.164 19.249 ( 0.000 -0.323 -11.749) 11.754 19.751 ( 0.000 0.877 -1.548) 1.779 19.761 ( 0.000 0.011 0.045) 0.046 21.216 ( 0.000 0.676 5.468) 5.510 21.245 ( 0.000 -0.326 4.505) 4.517 21.488 ( 0.000 0.686 4.470) 4.522 21.664 ( 0.000 -14.708 14.923) 20.952 23.054 ( 0.000 6.786 -9.337) 11.542 23.082 ( 0.000 13.665 -15.103) 20.367 23.153 ( 0.000 -2.885 -4.389) 5.253 23.260 ( 0.000 1.299 -7.030) 7.149 ======================= Grid point 67 (26/108) ======================= q-point: ( 0.10 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 12.304 14.401 18.002) 26.131 1.017 ( 13.366 18.170 13.162) 26.116 1.676 ( 9.632 -14.656 8.025) 19.287 1.819 ( 10.132 8.138 22.168) 25.697 2.095 ( 15.432 -4.052 30.273) 34.220 2.681 ( 2.332 7.598 0.078) 7.948 2.948 ( 10.926 6.286 9.709) 15.911 2.982 ( 3.688 -14.671 -4.841) 15.883 4.134 ( -3.468 -9.243 -4.234) 10.742 4.414 ( 3.466 -3.735 4.747) 6.965 4.709 ( 2.327 -3.363 -4.262) 5.907 4.928 ( 2.970 1.734 2.810) 4.441 4.964 ( -1.056 7.170 4.318) 8.437 5.192 ( 4.469 4.430 -5.535) 8.381 5.275 ( 0.051 -0.956 -8.217) 8.273 5.351 ( 9.056 0.395 -4.774) 10.245 5.588 ( -6.953 -14.873 -2.448) 16.599 5.782 ( -1.202 -9.875 4.156) 10.781 5.861 ( -5.681 1.022 6.801) 8.920 5.922 ( -2.832 8.165 -2.813) 9.089 6.093 ( 5.147 1.379 -0.362) 5.341 6.544 ( -6.369 -4.131 0.850) 7.639 6.655 ( -5.686 -5.505 -0.780) 7.953 6.789 ( -1.017 -0.728 1.431) 1.901 7.049 ( -1.888 13.054 -3.980) 13.777 7.277 ( 4.053 6.534 0.781) 7.728 7.462 ( -2.838 7.463 1.479) 8.120 7.657 ( 0.283 7.536 -5.478) 9.321 7.802 ( -5.454 -1.589 -4.137) 7.028 7.983 ( -0.408 0.091 3.191) 3.218 8.057 ( -0.553 -6.674 1.052) 6.780 8.118 ( 4.279 4.237 -4.264) 7.379 8.370 ( 1.638 -2.674 2.023) 3.732 8.723 ( 2.181 -2.780 -0.593) 3.583 8.768 ( -0.904 -2.070 0.259) 2.274 8.832 ( 2.223 -2.919 -4.223) 5.594 9.368 ( -3.353 4.069 0.453) 5.292 9.582 ( -4.051 -3.684 0.503) 5.498 10.425 ( 1.878 0.860 7.682) 7.955 10.553 ( -0.310 -2.291 -13.627) 13.821 10.730 ( 2.006 5.159 -10.934) 12.255 11.136 ( -1.106 -11.402 11.852) 16.484 11.321 ( -0.335 1.121 9.184) 9.259 11.623 ( -4.018 -13.243 21.409) 25.492 12.623 ( -0.207 0.781 7.410) 7.454 12.879 ( -0.295 -8.289 1.571) 8.442 13.538 ( -12.668 13.945 -10.510) 21.573 13.579 ( -11.773 14.295 -10.399) 21.239 14.819 ( -2.825 -0.734 10.420) 10.821 15.011 ( -4.025 -8.474 13.503) 16.443 15.563 ( -6.680 0.180 3.416) 7.505 15.766 ( 1.008 1.330 0.442) 1.727 15.845 ( 2.369 -1.082 1.155) 2.849 15.977 ( -5.279 -3.298 12.364) 13.843 16.587 ( -9.374 19.345 -3.363) 21.758 17.012 ( -6.532 -2.859 -2.132) 7.443 17.122 ( 4.924 0.067 -1.762) 5.231 18.104 ( 11.991 -15.944 18.507) 27.212 18.892 ( -14.326 7.937 -3.893) 16.834 18.977 ( -2.630 0.052 1.275) 2.923 19.032 ( 0.173 -0.788 2.459) 2.589 19.177 ( -11.472 4.592 -2.722) 12.653 19.724 ( 0.595 0.015 -3.245) 3.299 19.822 ( 3.044 0.251 -0.239) 3.063 21.312 ( 7.899 0.168 1.003) 7.965 21.370 ( 10.080 -1.017 -3.768) 10.809 21.549 ( 6.251 0.894 5.105) 8.120 21.831 ( 12.747 -17.610 9.048) 23.548 22.953 ( -8.713 13.174 -16.144) 22.585 23.044 ( -2.126 1.022 -3.945) 4.596 23.140 ( -1.922 -2.460 -4.082) 5.139 23.254 ( -2.158 2.741 -4.848) 5.972 ======================= Grid point 68 (27/108) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 16.544 8.374 11.932) 22.050 1.352 ( 21.118 13.274 2.137) 25.034 1.898 ( 12.406 -18.283 4.527) 22.553 2.060 ( 14.038 -3.739 8.201) 16.682 2.440 ( 18.523 4.235 29.737) 35.289 2.771 ( 4.402 6.228 -2.484) 8.021 2.983 ( 4.802 -5.816 -8.051) 11.032 3.298 ( 18.668 2.033 13.427) 23.085 4.133 ( 3.069 -5.430 -11.689) 13.249 4.427 ( -0.481 5.341 -2.427) 5.886 4.805 ( 3.753 -2.800 0.363) 4.697 4.949 ( 1.884 1.672 0.587) 2.587 4.983 ( 2.064 3.588 3.867) 5.665 5.202 ( -1.074 0.839 -3.766) 4.005 5.244 ( -2.708 -1.408 -8.907) 9.415 5.444 ( -5.353 -10.694 -3.411) 12.436 5.602 ( 7.141 -0.868 -5.551) 9.086 5.691 ( -6.357 -1.258 4.568) 7.928 5.748 ( -2.055 -6.216 7.499) 9.955 5.880 ( -2.621 7.100 -2.394) 7.938 6.199 ( 4.433 2.047 -2.840) 5.648 6.406 ( -5.881 -5.086 4.065) 8.773 6.522 ( -7.712 -5.288 1.172) 9.424 6.735 ( -4.303 -1.264 5.922) 7.429 7.021 ( -1.298 5.706 -8.082) 9.978 7.329 ( -1.204 7.817 -5.854) 9.840 7.428 ( 1.308 12.349 0.699) 12.438 7.671 ( 0.097 1.277 -1.681) 2.114 7.702 ( -3.652 -1.342 -0.882) 3.989 7.909 ( -6.004 -0.051 6.895) 9.143 7.980 ( -3.093 -0.620 6.335) 7.077 8.224 ( 1.265 0.919 10.341) 10.458 8.420 ( 3.765 -4.175 -6.248) 8.405 8.721 ( -0.999 -5.944 -4.257) 7.379 8.812 ( 4.152 2.338 -0.818) 4.835 8.894 ( 3.630 0.108 -3.338) 4.932 9.305 ( -2.960 2.019 0.012) 3.583 9.487 ( -5.414 -3.090 0.361) 6.244 10.494 ( 5.020 -0.438 0.035) 5.040 10.559 ( 1.032 -0.491 -15.768) 15.809 10.756 ( 0.352 2.813 -11.400) 11.747 11.112 ( -1.179 -9.241 13.432) 16.347 11.324 ( 0.753 0.097 7.968) 8.004 11.522 ( -5.731 2.580 15.301) 16.542 12.626 ( 0.408 -1.800 8.753) 8.945 12.857 ( -2.380 -9.944 1.221) 10.298 13.299 ( -10.321 11.825 -4.039) 16.206 13.360 ( -10.083 10.186 -2.867) 14.616 14.780 ( -0.958 -0.264 8.518) 8.576 14.950 ( -2.657 -2.494 12.539) 13.058 15.483 ( -2.544 -3.482 3.869) 5.794 15.776 ( -10.884 -1.602 17.909) 21.018 15.795 ( 1.093 1.379 0.156) 1.767 15.907 ( 3.921 -0.986 2.046) 4.531 16.377 ( -9.904 15.801 -0.647) 18.660 16.831 ( -10.742 -5.123 -0.579) 11.915 17.436 ( 19.925 0.351 -17.769) 26.699 18.265 ( 5.140 -7.615 9.875) 13.488 18.664 ( -9.027 4.921 1.797) 10.437 18.878 ( -11.686 1.635 -1.819) 11.939 18.980 ( -3.237 1.808 5.187) 6.376 19.038 ( -0.256 -0.583 4.108) 4.157 19.750 ( 1.748 0.218 -4.371) 4.712 19.867 ( 1.602 -0.238 -0.081) 1.621 21.479 ( 9.361 1.785 -1.606) 9.664 21.598 ( 13.409 -1.203 -7.371) 15.349 21.711 ( 10.120 1.332 5.490) 11.590 22.021 ( 6.494 -12.119 3.087) 14.092 22.791 ( -7.968 5.890 -13.587) 16.816 22.988 ( -3.728 -0.265 -4.689) 5.997 23.078 ( -4.675 0.642 -2.877) 5.527 23.178 ( -4.894 0.530 0.457) 4.944 ======================= Grid point 69 (28/108) ======================= q-point: ( 0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 14.320 1.022 7.445) 16.172 1.758 ( 19.024 3.497 0.678) 19.354 2.106 ( 8.734 -17.808 0.483) 19.840 2.329 ( 13.118 -1.643 8.803) 15.883 2.749 ( 12.556 2.696 17.057) 21.351 2.805 ( 1.288 8.880 -3.549) 9.649 3.192 ( 14.905 -1.445 -11.688) 18.996 3.624 ( 13.929 0.252 10.870) 17.670 4.242 ( 8.112 -1.542 -13.781) 16.065 4.424 ( 0.704 4.784 -7.356) 8.804 4.810 ( -1.974 6.201 -0.012) 6.508 4.995 ( 1.579 -1.485 1.072) 2.418 5.034 ( 2.665 -0.581 1.070) 2.929 5.174 ( -2.132 -0.130 -4.138) 4.657 5.195 ( -1.275 -1.001 -4.832) 5.097 5.346 ( -4.569 -6.361 -0.258) 7.836 5.532 ( -6.658 -4.938 5.250) 9.812 5.544 ( -8.603 0.757 5.274) 10.119 5.798 ( -3.996 1.925 -2.538) 5.111 5.927 ( 10.063 -0.944 -7.007) 12.299 6.169 ( -5.211 2.522 -2.971) 6.507 6.309 ( -7.642 -7.751 3.857) 11.548 6.503 ( 7.918 -0.877 2.922) 8.486 6.638 ( -5.265 -0.247 8.923) 10.363 6.988 ( -2.161 -0.241 -8.478) 8.752 7.249 ( -5.589 10.871 -11.385) 16.704 7.465 ( 0.567 9.851 1.693) 10.012 7.638 ( -1.790 -1.234 2.082) 3.010 7.700 ( 2.035 -4.386 4.430) 6.558 7.816 ( -3.869 3.483 5.149) 7.322 7.933 ( -1.035 2.737 6.679) 7.292 8.213 ( -1.295 -1.132 14.630) 14.731 8.463 ( 0.367 -1.619 -3.150) 3.560 8.700 ( -1.748 -8.998 -7.200) 11.656 8.892 ( 3.922 2.680 -0.514) 4.778 8.956 ( 2.637 1.223 -1.275) 3.174 9.258 ( -1.946 0.737 0.752) 2.213 9.386 ( -4.938 -2.270 0.713) 5.482 10.559 ( 1.136 0.484 -18.182) 18.224 10.629 ( 6.150 -1.425 -3.511) 7.224 10.740 ( -1.602 1.593 -9.487) 9.753 11.089 ( -1.681 -6.237 12.832) 14.366 11.344 ( 1.127 2.138 7.312) 7.701 11.435 ( -2.722 3.942 7.136) 8.595 12.631 ( -0.105 -2.484 8.328) 8.691 12.777 ( -5.616 -8.386 1.791) 10.251 13.152 ( -4.609 7.682 -2.568) 9.319 13.227 ( -4.395 5.906 0.365) 7.371 14.776 ( 0.358 0.008 7.584) 7.593 14.902 ( -2.445 -0.972 11.459) 11.757 15.449 ( -1.121 -3.469 5.126) 6.290 15.599 ( -6.779 -0.744 14.927) 16.411 15.833 ( 2.227 1.771 -1.660) 3.294 15.987 ( 4.035 -0.734 2.997) 5.080 16.218 ( -6.596 10.797 -0.541) 12.664 16.609 ( -11.890 -5.251 -0.723) 13.018 17.796 ( 17.028 0.077 -16.285) 23.562 18.317 ( 0.764 -2.977 2.595) 4.023 18.526 ( -6.012 0.684 0.592) 6.080 18.657 ( -9.891 2.776 1.059) 10.328 18.954 ( -0.428 0.367 5.280) 5.310 19.030 ( -0.713 -0.553 5.111) 5.190 19.786 ( 1.952 0.132 -4.209) 4.641 19.884 ( 0.217 -0.299 -0.318) 0.487 21.665 ( 9.757 2.138 -3.219) 10.494 21.861 ( 13.171 -2.128 -8.215) 15.668 21.921 ( 11.584 1.144 4.194) 12.372 22.095 ( 2.053 -4.380 1.252) 4.997 22.646 ( -7.294 0.238 -13.040) 14.943 22.890 ( -7.276 -0.031 -5.583) 9.172 22.978 ( -4.351 3.071 0.542) 5.353 23.088 ( -4.430 -1.694 2.344) 5.290 ======================= Grid point 70 (29/108) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 11.388 -6.813 4.435) 13.991 1.981 ( 2.516 -13.991 4.303) 14.853 2.283 ( 11.244 -2.125 -1.304) 11.517 2.511 ( 4.441 3.018 13.231) 14.279 2.845 ( 3.802 8.231 -6.092) 10.923 2.917 ( 3.989 5.667 4.418) 8.219 3.492 ( 15.174 -1.636 -12.574) 19.775 3.787 ( 2.611 -0.399 1.024) 2.833 4.407 ( 6.950 2.215 -10.581) 12.852 4.481 ( 5.538 -2.651 -7.663) 9.819 4.766 ( -1.479 6.025 -3.012) 6.896 4.965 ( -5.020 -2.130 -0.878) 5.524 5.099 ( 4.373 1.723 1.701) 4.999 5.140 ( -0.732 1.151 -4.210) 4.425 5.191 ( -0.091 -0.747 -0.397) 0.851 5.272 ( -2.890 -1.473 1.180) 3.451 5.386 ( -6.979 0.333 4.396) 8.254 5.414 ( -5.431 -4.186 6.752) 9.623 5.737 ( -1.044 3.761 -2.567) 4.671 5.945 ( -8.418 -1.351 -4.077) 9.451 6.145 ( 2.468 -6.273 -3.598) 7.641 6.225 ( -0.849 -7.878 4.394) 9.060 6.574 ( 0.010 3.813 5.844) 6.978 6.654 ( 4.649 6.424 -5.195) 9.480 6.960 ( 0.500 -5.170 -3.610) 6.326 7.138 ( -5.716 8.328 -8.988) 13.521 7.467 ( 0.824 6.782 2.795) 7.382 7.594 ( -3.340 -1.042 5.352) 6.394 7.735 ( 0.290 5.449 7.134) 8.982 7.763 ( -1.139 -3.055 6.112) 6.927 7.969 ( 4.869 3.434 2.499) 6.461 8.175 ( -3.099 0.117 9.108) 9.622 8.466 ( 1.123 -4.387 2.633) 5.238 8.635 ( -5.058 -9.937 -3.635) 11.728 8.958 ( 2.785 2.624 -0.541) 3.865 8.992 ( 1.089 1.733 -0.547) 2.118 9.235 ( -0.305 0.083 1.411) 1.446 9.302 ( -3.665 -1.477 1.220) 4.136 10.578 ( 1.169 0.569 -16.275) 16.327 10.662 ( -2.618 -0.434 -13.862) 14.113 10.790 ( 6.713 -0.170 1.150) 6.813 11.029 ( -4.695 -2.391 8.358) 9.880 11.370 ( 1.747 2.624 5.505) 6.344 11.415 ( -0.218 0.635 3.671) 3.732 12.623 ( -0.506 -1.866 6.378) 6.664 12.677 ( -4.119 -3.453 3.980) 6.689 13.112 ( -0.201 3.766 -1.749) 4.157 13.165 ( -2.436 2.285 0.056) 3.340 14.791 ( 1.118 -0.007 7.939) 8.017 14.857 ( -2.214 -0.427 10.233) 10.479 15.440 ( 0.206 -2.152 6.821) 7.155 15.505 ( -3.433 -0.542 11.223) 11.749 15.883 ( 3.123 2.697 -1.507) 4.393 16.024 ( -1.708 3.635 3.298) 5.197 16.155 ( 1.422 2.078 -0.215) 2.527 16.396 ( -9.884 -4.640 -0.782) 10.947 18.081 ( 12.679 -0.281 -11.849) 17.356 18.315 ( -0.620 -1.660 -0.987) 2.028 18.424 ( -4.387 -0.094 -2.339) 4.973 18.500 ( -7.030 2.605 -1.197) 7.592 18.958 ( 0.836 0.001 6.551) 6.604 19.010 ( -1.326 -0.418 6.136) 6.291 19.823 ( 1.841 0.004 -3.387) 3.855 19.878 ( -0.812 -0.207 -1.101) 1.384 21.840 ( 8.125 2.435 -3.192) 9.062 22.024 ( 0.829 -3.218 -4.009) 5.207 22.124 ( 9.584 0.105 -2.032) 9.798 22.201 ( 11.558 -0.178 -0.783) 11.586 22.506 ( -7.298 -2.244 -12.528) 14.671 22.708 ( -11.055 2.434 -4.061) 12.026 22.933 ( -0.626 1.115 1.492) 1.965 23.007 ( -3.876 -1.208 2.580) 4.810 ======================= Grid point 71 (30/108) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -7.225 -13.923 3.503) 16.073 1.918 ( 7.225 -13.923 3.503) 16.073 2.478 ( -7.221 3.834 6.988) 10.755 2.478 ( 7.221 3.834 6.988) 10.755 2.921 ( -2.895 7.026 -2.871) 8.124 2.921 ( 2.895 7.026 -2.871) 8.124 3.728 ( -8.422 -0.871 -8.259) 11.828 3.728 ( 8.422 -0.871 -8.258) 11.828 4.510 ( -3.750 -2.014 -8.848) 9.819 4.510 ( 3.750 -2.014 -8.848) 9.819 4.830 ( -7.668 2.065 -1.437) 8.070 4.830 ( 7.668 2.065 -1.437) 8.070 5.150 ( -1.276 0.780 -2.619) 3.016 5.150 ( 1.276 0.780 -2.619) 3.016 5.209 ( -4.370 2.761 1.446) 5.368 5.209 ( 4.370 2.761 1.446) 5.368 5.336 ( -2.108 -2.622 6.265) 7.112 5.336 ( 2.108 -2.622 6.265) 7.112 5.785 ( -6.214 1.035 -2.269) 6.696 5.785 ( 6.214 1.035 -2.269) 6.696 6.193 ( -2.699 -9.049 2.204) 9.696 6.193 ( 2.699 -9.049 2.204) 9.696 6.637 ( -4.584 6.649 -5.491) 9.766 6.637 ( 4.584 6.649 -5.491) 9.766 7.030 ( -5.532 0.601 -3.172) 6.406 7.030 ( 5.532 0.601 -3.172) 6.406 7.515 ( -4.016 3.970 4.567) 7.263 7.515 ( 4.016 3.970 4.567) 7.263 7.744 ( -1.034 1.504 7.125) 7.355 7.744 ( 1.034 1.504 7.125) 7.355 8.085 ( -6.094 1.553 4.036) 7.472 8.085 ( 6.094 1.553 4.036) 7.472 8.528 ( -5.134 -8.247 1.904) 9.899 8.528 ( 5.134 -8.247 1.904) 9.899 8.994 ( -0.922 2.209 -0.625) 2.473 8.994 ( 0.922 2.209 -0.625) 2.473 9.249 ( -1.805 -0.671 1.469) 2.421 9.249 ( 1.805 -0.671 1.469) 2.422 10.611 ( -2.324 0.166 -14.288) 14.476 10.611 ( 2.324 0.166 -14.288) 14.476 10.920 ( -6.436 -0.901 3.505) 7.384 10.920 ( 6.436 -0.901 3.505) 7.384 11.403 ( -1.272 1.041 3.937) 4.266 11.403 ( 1.272 1.041 3.937) 4.266 12.626 ( -1.237 -1.458 5.186) 5.527 12.626 ( 1.237 -1.458 5.186) 5.527 13.127 ( -1.513 1.721 -0.921) 2.469 13.127 ( 1.513 1.721 -0.921) 2.469 14.818 ( -1.743 -0.156 8.962) 9.131 14.818 ( 1.743 -0.156 8.962) 9.131 15.458 ( -1.669 -0.996 8.690) 8.905 15.458 ( 1.669 -0.996 8.690) 8.905 15.955 ( -4.221 4.276 0.697) 6.049 15.955 ( 4.221 4.276 0.697) 6.049 16.240 ( -6.425 -2.894 -0.095) 7.048 16.240 ( 6.425 -2.894 -0.095) 7.048 18.270 ( -6.045 -1.628 -5.169) 8.118 18.270 ( 6.045 -1.628 -5.169) 8.118 18.393 ( -2.549 1.907 -3.865) 5.008 18.393 ( 2.549 1.907 -3.865) 5.008 18.982 ( -1.490 -0.231 6.812) 6.977 18.982 ( 1.490 -0.231 6.812) 6.977 19.855 ( -1.477 -0.103 -2.231) 2.678 19.855 ( 1.477 -0.103 -2.231) 2.678 21.969 ( -5.194 1.303 -2.497) 5.909 21.969 ( 5.194 1.303 -2.497) 5.909 22.302 ( -7.107 -4.532 -5.691) 10.170 22.302 ( 7.107 -4.532 -5.691) 10.170 22.488 ( -10.486 3.010 -5.565) 12.246 22.488 ( 10.486 3.010 -5.565) 12.246 22.948 ( -2.117 -0.044 2.285) 3.115 22.948 ( 2.117 -0.044 2.285) 3.115 ======================= Grid point 77 (31/108) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 -15.022 10.802) 18.502 1.094 ( 0.000 15.022 10.802) 18.502 1.473 ( 0.000 -21.638 17.696) 27.953 1.473 ( 0.000 21.638 17.696) 27.953 2.409 ( 0.000 -33.451 15.647) 36.930 2.409 ( 0.000 33.451 15.647) 36.930 2.850 ( 0.000 -0.101 8.122) 8.123 2.850 ( 0.000 0.101 8.122) 8.123 4.129 ( 0.000 -0.202 0.313) 0.372 4.129 ( 0.000 0.202 0.313) 0.372 4.802 ( 0.000 -0.453 2.772) 2.809 4.802 ( 0.000 0.453 2.772) 2.809 5.186 ( 0.000 -2.721 -3.448) 4.392 5.186 ( 0.000 2.721 -3.448) 4.392 5.303 ( 0.000 -7.215 -6.347) 9.609 5.303 ( 0.000 7.215 -6.347) 9.609 5.498 ( 0.000 -4.491 1.456) 4.721 5.498 ( 0.000 4.491 1.456) 4.721 5.968 ( 0.000 -2.411 5.354) 5.872 5.968 ( 0.000 2.411 5.354) 5.872 6.323 ( 0.000 -17.706 -5.839) 18.644 6.323 ( 0.000 17.706 -5.839) 18.644 6.750 ( 0.000 -2.391 2.197) 3.247 6.750 ( 0.000 2.391 2.197) 3.247 7.269 ( 0.000 -0.020 -3.941) 3.941 7.269 ( 0.000 0.020 -3.941) 3.941 7.734 ( 0.000 -11.505 5.580) 12.787 7.734 ( 0.000 11.505 5.580) 12.787 7.837 ( 0.000 -4.111 -5.859) 7.157 7.837 ( 0.000 4.111 -5.859) 7.157 8.015 ( 0.000 -1.283 -5.702) 5.844 8.015 ( 0.000 1.283 -5.702) 5.844 8.528 ( 0.000 -10.816 2.521) 11.106 8.528 ( 0.000 10.816 2.521) 11.106 8.757 ( 0.000 -0.981 -1.765) 2.020 8.757 ( 0.000 0.981 -1.765) 2.020 9.522 ( 0.000 -6.043 0.526) 6.065 9.522 ( 0.000 6.043 0.526) 6.065 10.473 ( 0.000 -4.190 0.208) 4.196 10.473 ( 0.000 4.190 0.208) 4.196 10.887 ( 0.000 -11.314 2.603) 11.609 10.887 ( 0.000 11.314 2.603) 11.609 11.410 ( 0.000 -5.653 12.819) 14.010 11.410 ( 0.000 5.653 12.819) 14.010 12.728 ( 0.000 -7.027 2.883) 7.596 12.728 ( 0.000 7.027 2.883) 7.596 13.824 ( 0.000 -5.378 -16.190) 17.060 13.824 ( 0.000 5.378 -16.190) 17.060 14.876 ( 0.000 -3.286 11.703) 12.155 14.876 ( 0.000 3.286 11.703) 12.155 15.785 ( 0.000 -2.295 0.551) 2.360 15.785 ( 0.000 2.295 0.551) 2.360 15.833 ( 0.000 -3.663 0.768) 3.743 15.833 ( 0.000 3.663 0.768) 3.743 16.889 ( 0.000 -9.090 -6.983) 11.463 16.889 ( 0.000 9.090 -6.983) 11.463 17.514 ( 0.000 -8.927 22.278) 24.000 17.514 ( 0.000 8.927 22.278) 24.000 19.005 ( 0.000 -1.260 1.896) 2.277 19.005 ( 0.000 1.260 1.896) 2.277 19.235 ( 0.000 -0.304 -13.066) 13.070 19.235 ( 0.000 0.304 -13.066) 13.070 19.760 ( 0.000 -0.015 -0.458) 0.458 19.760 ( 0.000 0.015 -0.458) 0.458 21.232 ( 0.000 -0.411 5.176) 5.193 21.232 ( 0.000 0.411 5.176) 5.193 21.519 ( 0.000 -2.916 7.401) 7.955 21.519 ( 0.000 2.916 7.401) 7.955 23.099 ( 0.000 -2.343 -4.030) 4.661 23.099 ( 0.000 2.343 -4.030) 4.661 23.253 ( 0.000 -1.931 -11.349) 11.512 23.253 ( 0.000 1.931 -11.349) 11.512 ======================= Grid point 79 (32/108) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 11.719 -0.000 9.232) 14.919 1.226 ( 11.133 0.000 10.609) 15.379 1.435 ( 3.904 0.000 13.721) 14.265 1.669 ( 12.354 -0.000 10.440) 16.175 2.465 ( 6.519 -0.000 17.706) 18.868 2.509 ( 8.624 0.000 13.260) 15.818 2.808 ( 2.243 0.000 1.621) 2.768 3.043 ( 13.344 0.000 12.593) 18.348 4.037 ( -1.111 0.000 -7.423) 7.506 4.331 ( 11.152 0.000 6.218) 12.768 4.698 ( -2.054 0.000 -4.544) 4.987 4.939 ( 5.235 0.000 5.135) 7.333 5.146 ( -1.038 0.000 0.958) 1.413 5.229 ( 0.489 -0.000 -5.663) 5.684 5.271 ( -2.192 -0.000 -7.531) 7.844 5.294 ( -5.434 0.000 1.815) 5.729 5.432 ( 6.229 -0.000 -9.566) 11.415 5.639 ( 4.526 0.000 4.410) 6.319 5.883 ( -6.862 0.000 5.190) 8.603 5.968 ( 0.235 0.000 5.678) 5.683 6.268 ( -4.287 -0.000 -6.523) 7.806 6.341 ( 0.152 0.000 -4.214) 4.217 6.638 ( -7.801 0.000 0.880) 7.850 6.770 ( -1.386 0.000 6.355) 6.504 7.174 ( -4.681 0.000 -8.775) 9.945 7.361 ( 4.339 0.000 -3.102) 5.333 7.634 ( -4.344 -0.000 -0.489) 4.372 7.744 ( -3.060 0.000 6.542) 7.223 7.794 ( -2.825 0.000 -1.872) 3.389 7.876 ( 1.476 0.000 1.908) 2.412 7.989 ( -0.432 0.000 1.305) 1.375 8.156 ( 9.915 0.000 -15.242) 18.183 8.381 ( -7.275 0.000 9.063) 11.622 8.632 ( 3.376 -0.000 -1.006) 3.522 8.786 ( 3.344 0.000 -1.706) 3.754 8.789 ( 2.714 -0.000 -2.735) 3.853 9.457 ( -5.222 0.000 -0.361) 5.234 9.501 ( -2.831 0.000 1.073) 3.027 10.452 ( 0.246 0.000 6.010) 6.015 10.506 ( 1.710 0.000 -10.994) 11.126 10.839 ( -1.578 0.000 -7.045) 7.220 10.954 ( 2.885 0.000 10.634) 11.018 11.341 ( -2.102 0.000 10.026) 10.244 11.509 ( 4.426 0.000 15.445) 16.067 12.704 ( -1.602 0.000 3.189) 3.569 12.728 ( -0.864 0.000 2.921) 3.047 13.680 ( -12.495 0.000 -12.091) 17.388 13.711 ( -11.448 -0.000 -11.956) 16.553 14.808 ( -2.795 0.000 10.135) 10.513 14.921 ( 0.981 0.000 11.672) 11.713 15.576 ( -9.871 0.000 0.805) 9.904 15.787 ( 0.696 0.000 -0.057) 0.699 15.827 ( 2.677 0.000 1.766) 3.207 15.943 ( -4.436 0.000 14.063) 14.746 16.832 ( -4.639 0.000 -1.771) 4.965 16.937 ( -11.449 0.000 -5.304) 12.618 17.123 ( 3.893 0.000 -0.790) 3.972 17.944 ( 17.273 0.000 19.517) 26.063 18.958 ( -15.029 -0.000 -10.089) 18.101 18.978 ( -1.763 0.000 0.674) 1.888 19.021 ( 0.592 0.000 2.875) 2.935 19.231 ( -10.706 0.000 -0.825) 10.738 19.725 ( 0.704 0.000 -3.372) 3.445 19.825 ( 2.680 0.000 -0.270) 2.693 21.315 ( 11.277 0.000 -1.907) 11.437 21.354 ( 7.404 0.000 0.448) 7.418 21.570 ( 6.552 -0.000 7.091) 9.655 21.658 ( 11.170 0.000 8.416) 13.985 23.056 ( -3.114 0.000 -5.027) 5.914 23.072 ( -11.269 0.000 -12.975) 17.185 23.109 ( -0.605 0.000 -3.446) 3.499 23.285 ( -2.511 0.000 -5.346) 5.907 ======================= Grid point 81 (33/108) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 11.294 -0.000 8.829) 14.335 1.460 ( 12.325 0.000 9.183) 15.370 1.619 ( 14.581 0.000 5.315) 15.519 1.946 ( 16.890 -0.000 1.217) 16.934 2.622 ( 8.948 -0.000 15.350) 17.768 2.706 ( 11.002 0.000 8.896) 14.149 2.932 ( 10.223 0.000 -4.669) 11.238 3.337 ( 16.381 0.000 14.708) 22.015 4.081 ( 5.433 0.000 -13.749) 14.783 4.477 ( 3.045 -0.000 1.370) 3.339 4.755 ( 7.648 0.000 -3.117) 8.258 4.984 ( -0.440 0.000 1.729) 1.784 5.142 ( 0.451 -0.000 3.730) 3.757 5.173 ( -5.203 0.000 1.199) 5.339 5.220 ( -2.832 -0.000 -6.102) 6.727 5.224 ( -1.057 0.000 -7.147) 7.225 5.617 ( -5.765 -0.000 5.321) 7.845 5.626 ( 11.155 0.000 -7.703) 13.557 5.724 ( -9.060 -0.000 5.845) 10.782 6.047 ( 6.886 0.000 4.742) 8.361 6.159 ( -6.705 -0.000 -8.056) 10.482 6.328 ( -1.701 0.000 -2.710) 3.199 6.473 ( -7.997 0.000 3.481) 8.722 6.709 ( -4.435 0.000 10.803) 11.678 7.089 ( -4.370 0.000 -13.370) 14.066 7.431 ( 2.571 0.000 -7.515) 7.942 7.579 ( -1.580 0.000 -1.399) 2.111 7.678 ( -3.219 0.000 1.958) 3.768 7.697 ( -6.542 0.000 6.184) 9.003 7.893 ( 0.187 0.000 5.690) 5.693 7.975 ( -0.887 0.000 3.794) 3.897 8.245 ( -3.075 0.000 13.986) 14.320 8.357 ( 6.281 0.000 -13.513) 14.901 8.649 ( -1.642 -0.000 -2.276) 2.807 8.856 ( 4.080 0.000 -1.823) 4.469 8.872 ( 5.029 -0.000 -1.760) 5.328 9.352 ( -5.013 0.000 -1.703) 5.294 9.431 ( -4.184 0.000 1.694) 4.514 10.498 ( 4.502 0.000 2.225) 5.021 10.541 ( 1.831 0.000 -17.921) 18.014 10.809 ( -1.971 0.000 -9.568) 9.769 10.995 ( 1.639 0.000 13.067) 13.169 11.330 ( 0.835 0.000 7.884) 7.928 11.544 ( -1.176 0.000 13.561) 13.612 12.673 ( -1.398 -0.000 4.746) 4.948 12.694 ( -2.605 0.000 2.948) 3.934 13.423 ( -12.459 0.000 -5.899) 13.785 13.470 ( -11.804 0.000 -4.666) 12.693 14.777 ( -0.614 0.000 7.879) 7.903 14.918 ( -1.026 0.000 11.578) 11.623 15.452 ( -3.730 0.000 3.435) 5.071 15.757 ( -10.629 0.000 19.479) 22.190 15.814 ( 1.594 0.000 -0.862) 1.812 15.892 ( 3.958 0.000 2.698) 4.790 16.634 ( -14.015 0.000 -1.590) 14.105 16.694 ( -9.547 -0.000 0.343) 9.553 17.441 ( 19.790 0.000 -18.144) 26.849 18.184 ( 8.402 0.000 11.706) 14.409 18.707 ( -11.030 -0.000 -5.445) 12.301 18.901 ( -9.389 0.000 -0.239) 9.393 19.007 ( -6.567 0.000 8.063) 10.399 19.028 ( 0.057 0.000 4.002) 4.002 19.753 ( 1.768 0.000 -4.732) 5.052 19.864 ( 1.438 0.000 0.084) 1.440 21.510 ( 9.117 0.000 -2.899) 9.566 21.575 ( 14.186 0.000 -7.779) 16.179 21.739 ( 10.158 -0.000 7.075) 12.379 21.874 ( 10.276 0.000 5.029) 11.440 22.850 ( -11.268 0.000 -13.328) 17.453 22.984 ( -4.289 0.000 -5.778) 7.196 23.086 ( -1.892 0.000 -1.685) 2.534 23.185 ( -7.090 0.000 0.482) 7.107 ======================= Grid point 83 (34/108) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.306 -0.000 7.601) 10.543 1.640 ( 6.697 0.000 6.822) 9.560 1.945 ( 18.139 0.000 0.936) 18.163 2.291 ( 17.421 0.000 4.093) 17.895 2.783 ( 7.461 -0.000 5.009) 8.987 2.899 ( 8.502 0.000 3.217) 9.090 3.176 ( 14.657 0.000 -9.227) 17.319 3.629 ( 12.801 0.000 11.696) 17.340 4.233 ( 9.944 0.000 -14.844) 17.867 4.487 ( -0.918 0.000 -7.498) 7.554 4.904 ( 5.880 0.000 2.532) 6.402 4.931 ( -4.748 -0.000 -2.590) 5.408 5.103 ( -1.715 -0.000 -1.068) 2.020 5.148 ( -0.325 0.000 0.971) 1.024 5.186 ( -0.068 0.000 1.314) 1.316 5.210 ( -0.247 0.000 -3.393) 3.402 5.486 ( -6.866 0.000 4.752) 8.351 5.552 ( -8.426 0.000 8.416) 11.909 5.786 ( 3.188 0.000 -7.506) 8.155 6.057 ( -1.771 0.000 -10.410) 10.559 6.102 ( -3.775 -0.000 2.351) 4.447 6.222 ( -7.513 0.000 -1.238) 7.614 6.490 ( 10.279 0.000 6.592) 12.211 6.625 ( -3.493 0.000 12.108) 12.602 6.997 ( -5.355 0.000 -15.556) 16.452 7.409 ( -6.220 0.000 -9.466) 11.326 7.564 ( -0.375 -0.000 -1.101) 1.163 7.610 ( -1.421 0.000 7.593) 7.725 7.636 ( -0.337 0.000 3.257) 3.274 7.880 ( -1.443 0.000 7.199) 7.342 7.971 ( 0.794 0.000 4.148) 4.223 8.199 ( -1.347 0.000 14.847) 14.908 8.439 ( 1.512 0.000 -9.817) 9.933 8.580 ( -5.001 -0.000 -0.728) 5.054 8.935 ( 3.900 0.000 -1.090) 4.049 8.956 ( 3.418 -0.000 -0.173) 3.422 9.276 ( -2.933 0.000 -1.473) 3.282 9.350 ( -4.042 0.000 2.110) 4.560 10.569 ( 1.041 0.000 -18.849) 18.878 10.608 ( 6.074 0.000 -4.570) 7.601 10.762 ( -2.329 0.000 -6.660) 7.055 11.021 ( 0.705 0.000 11.963) 11.984 11.363 ( 2.238 0.000 5.871) 6.283 11.481 ( -4.259 0.000 7.914) 8.987 12.640 ( -2.656 -0.000 3.300) 4.236 12.652 ( -0.945 0.000 6.739) 6.804 13.239 ( -6.617 0.000 -2.871) 7.213 13.289 ( -7.072 -0.000 -1.299) 7.190 14.777 ( 0.412 0.000 7.232) 7.244 14.889 ( -1.882 0.000 11.168) 11.326 15.412 ( -0.759 0.000 5.253) 5.308 15.590 ( -6.456 0.000 15.677) 16.954 15.857 ( 2.684 0.000 -2.319) 3.547 15.972 ( 4.191 0.000 3.632) 5.546 16.410 ( -9.490 0.000 -1.910) 9.681 16.484 ( -11.703 -0.000 0.444) 11.712 17.797 ( 16.835 0.000 -16.206) 23.367 18.284 ( 2.413 0.000 3.897) 4.583 18.531 ( -7.380 -0.000 -3.423) 8.135 18.691 ( -9.912 0.000 2.709) 10.275 18.959 ( -0.797 0.000 6.011) 6.064 19.022 ( -0.611 0.000 5.113) 5.149 19.788 ( 1.860 0.000 -4.402) 4.779 19.880 ( 0.258 0.000 -0.168) 0.308 21.699 ( 10.300 0.000 -4.584) 11.274 21.826 ( 10.901 0.000 -7.705) 13.350 21.940 ( 11.310 -0.000 5.779) 12.701 22.038 ( 6.862 0.000 1.352) 6.994 22.649 ( -9.691 0.000 -13.203) 16.377 22.890 ( -5.891 0.000 -6.556) 8.814 23.040 ( -2.772 0.000 -0.205) 2.779 23.042 ( -6.959 -0.000 4.042) 8.048 ======================= Grid point 85 (35/108) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 3.128 0.000 4.794) 5.724 1.735 ( 3.264 -0.000 6.236) 7.038 2.275 ( 15.451 0.000 2.497) 15.652 2.534 ( 6.072 0.000 13.318) 14.637 2.907 ( 5.933 0.000 -8.072) 10.018 3.012 ( 2.918 0.000 -2.049) 3.566 3.472 ( 15.360 0.000 -11.455) 19.161 3.782 ( 2.503 0.000 1.733) 3.044 4.426 ( 8.394 0.000 -10.493) 13.437 4.471 ( -0.163 0.000 -9.803) 9.804 4.834 ( -3.559 0.000 -4.364) 5.631 4.944 ( -1.811 -0.000 2.478) 3.069 5.112 ( 2.226 -0.000 -0.344) 2.253 5.145 ( 0.367 0.000 0.357) 0.512 5.211 ( 2.389 -0.000 4.942) 5.489 5.215 ( 0.834 0.000 0.093) 0.839 5.369 ( -5.345 -0.000 3.915) 6.625 5.407 ( -6.712 0.000 7.212) 9.852 5.766 ( -1.778 0.000 -5.822) 6.088 5.944 ( -9.735 0.000 -2.127) 9.965 6.083 ( 1.714 0.000 -6.949) 7.157 6.126 ( -3.033 0.000 3.849) 4.900 6.610 ( 2.404 0.000 4.908) 5.465 6.723 ( 9.567 0.000 -1.144) 9.635 6.901 ( -2.219 0.000 -8.961) 9.232 7.241 ( -9.980 0.000 -2.493) 10.287 7.557 ( -0.302 -0.000 1.609) 1.637 7.581 ( -1.539 0.000 3.955) 4.244 7.690 ( 4.516 0.000 3.216) 5.544 7.844 ( -2.490 0.000 5.894) 6.398 8.017 ( 4.198 0.000 3.051) 5.189 8.180 ( -1.373 0.000 9.267) 9.368 8.422 ( -2.304 0.000 -1.685) 2.854 8.477 ( -5.170 -0.000 2.726) 5.845 8.996 ( 2.337 0.000 -0.819) 2.476 9.004 ( 1.739 -0.000 0.315) 1.767 9.239 ( -0.932 0.000 -0.148) 0.944 9.281 ( -2.982 0.000 1.981) 3.580 10.586 ( 0.926 0.000 -16.375) 16.401 10.655 ( -1.767 0.000 -13.696) 13.809 10.789 ( 5.714 0.000 1.674) 5.954 11.001 ( -3.148 0.000 8.137) 8.725 11.401 ( 1.502 0.000 4.347) 4.599 11.422 ( -1.347 0.000 3.801) 4.032 12.605 ( -0.776 0.000 4.247) 4.318 12.632 ( -1.224 0.000 7.046) 7.152 13.159 ( -2.122 0.000 -1.959) 2.888 13.190 ( -3.524 -0.000 -0.898) 3.637 14.791 ( 1.049 0.000 7.799) 7.869 14.851 ( -1.965 0.000 10.205) 10.393 15.415 ( 0.961 0.000 6.813) 6.881 15.499 ( -3.477 0.000 11.619) 12.128 15.921 ( 4.202 0.000 -2.417) 4.848 16.042 ( 2.485 -0.000 4.246) 4.920 16.267 ( -5.597 0.000 -0.070) 5.598 16.273 ( -9.295 -0.000 -1.149) 9.366 18.078 ( 12.329 0.000 -11.450) 16.826 18.296 ( -0.706 0.000 -0.735) 1.019 18.424 ( -3.585 -0.000 -3.254) 4.842 18.529 ( -7.416 0.000 -1.306) 7.530 18.958 ( 0.653 0.000 6.881) 6.912 19.005 ( -1.207 0.000 6.189) 6.305 19.823 ( 1.763 0.000 -3.457) 3.880 19.875 ( -0.740 0.000 -1.020) 1.260 21.885 ( 8.298 0.000 -4.603) 9.490 21.965 ( 3.999 0.000 -3.589) 5.374 22.148 ( 5.159 -0.000 -2.489) 5.728 22.179 ( 12.025 0.000 2.109) 12.209 22.484 ( -6.784 0.000 -13.363) 14.986 22.734 ( -10.365 0.000 -5.209) 11.601 22.953 ( -2.121 0.000 3.606) 4.183 22.986 ( -2.644 -0.000 1.210) 2.908 ======================= Grid point 87 (36/108) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -0.172 0.000 4.938) 4.941 1.764 ( 0.172 0.000 4.938) 4.941 2.507 ( -7.892 0.000 9.120) 12.061 2.507 ( 7.892 0.000 9.120) 12.061 3.006 ( -3.401 0.000 -7.377) 8.123 3.006 ( 3.401 0.000 -7.377) 8.123 3.717 ( -8.982 0.000 -7.740) 11.856 3.717 ( 8.982 0.000 -7.740) 11.856 4.487 ( -1.011 0.000 -10.035) 10.086 4.487 ( 1.011 0.000 -10.035) 10.086 4.861 ( -5.307 0.000 0.113) 5.308 4.861 ( 5.307 0.000 0.113) 5.308 5.148 ( -0.635 0.000 0.712) 0.955 5.148 ( 0.635 -0.000 0.712) 0.955 5.249 ( -1.381 0.000 2.469) 2.829 5.249 ( 1.381 0.000 2.469) 2.829 5.307 ( -2.056 0.000 5.342) 5.724 5.307 ( 2.056 0.000 5.342) 5.724 5.793 ( -5.048 0.000 -3.947) 6.408 5.793 ( 5.048 0.000 -3.947) 6.408 6.096 ( -0.420 0.000 0.883) 0.978 6.096 ( 0.420 0.000 0.883) 0.978 6.702 ( -6.030 0.000 -7.751) 9.821 6.702 ( 6.030 0.000 -7.751) 9.821 7.039 ( -11.071 -0.000 1.604) 11.187 7.039 ( 11.071 -0.000 1.604) 11.187 7.559 ( -0.653 0.000 4.024) 4.077 7.559 ( 0.653 0.000 4.024) 4.077 7.778 ( -4.282 -0.000 3.490) 5.524 7.778 ( 4.282 0.000 3.490) 5.524 8.117 ( -5.240 -0.000 3.209) 6.145 8.117 ( 5.240 0.000 3.209) 6.145 8.406 ( -1.618 0.000 4.647) 4.921 8.406 ( 1.618 0.000 4.647) 4.921 9.020 ( -0.155 0.000 -0.317) 0.353 9.020 ( 0.155 0.000 -0.317) 0.353 9.241 ( -1.156 0.000 1.140) 1.623 9.241 ( 1.156 0.000 1.140) 1.623 10.613 ( -1.972 0.000 -14.189) 14.325 10.613 ( 1.972 0.000 -14.189) 14.325 10.908 ( -5.995 0.000 3.635) 7.011 10.908 ( 5.995 0.000 3.635) 7.011 11.415 ( -0.096 0.000 3.354) 3.355 11.415 ( 0.096 0.000 3.354) 3.355 12.609 ( -0.954 0.000 5.767) 5.845 12.609 ( 0.954 0.000 5.767) 5.845 13.148 ( -0.878 0.000 -1.406) 1.658 13.148 ( 0.878 0.000 -1.406) 1.658 14.816 ( -1.604 0.000 8.944) 9.086 14.816 ( 1.604 0.000 8.944) 9.086 15.446 ( -2.158 0.000 8.750) 9.012 15.446 ( 2.158 0.000 8.750) 9.012 16.017 ( -5.085 0.000 0.506) 5.110 16.017 ( 5.085 0.000 0.506) 5.110 16.194 ( -1.437 -0.000 0.047) 1.438 16.194 ( 1.437 0.000 0.047) 1.438 18.252 ( -5.091 0.000 -4.601) 6.862 18.252 ( 5.091 0.000 -4.601) 6.862 18.414 ( -3.303 0.000 -4.561) 5.631 18.414 ( 3.303 0.000 -4.561) 5.631 18.979 ( -1.349 0.000 6.970) 7.099 18.979 ( 1.349 0.000 6.970) 7.099 19.854 ( -1.409 0.000 -2.220) 2.629 19.854 ( 1.409 0.000 -2.220) 2.629 21.987 ( -1.935 0.000 -2.923) 3.505 21.987 ( 1.935 0.000 -2.923) 3.505 22.250 ( -4.811 0.000 -4.640) 6.684 22.250 ( 4.811 0.000 -4.640) 6.684 22.519 ( -10.660 0.000 -6.178) 12.321 22.519 ( 10.660 0.000 -6.178) 12.321 22.947 ( -1.128 0.000 2.331) 2.590 22.947 ( 1.128 0.000 2.331) 2.590 ======================= Grid point 110 (37/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 0.000 26.422) 26.422 1.317 ( 0.000 0.000 31.648) 31.648 1.857 ( 0.000 0.000 11.757) 11.757 2.485 ( 0.000 0.000 50.996) 50.996 2.649 ( 0.000 0.000 -6.902) 6.902 2.710 ( 0.000 0.000 30.396) 30.396 2.789 ( 0.000 0.000 -6.731) 6.731 2.894 ( 0.000 0.000 14.804) 14.804 4.324 ( 0.000 0.000 -13.229) 13.229 4.554 ( 0.000 0.000 -9.225) 9.225 4.582 ( 0.000 0.000 10.722) 10.722 4.791 ( 0.000 0.000 -1.681) 1.681 4.882 ( 0.000 0.000 -2.655) 2.655 5.082 ( 0.000 0.000 -9.682) 9.682 5.113 ( 0.000 0.000 10.017) 10.017 5.351 ( 0.000 0.000 2.936) 2.936 5.596 ( 0.000 0.000 -11.312) 11.312 5.823 ( 0.000 0.000 1.240) 1.240 5.986 ( 0.000 0.000 0.895) 0.895 6.089 ( 0.000 0.000 3.584) 3.584 6.124 ( 0.000 0.000 6.019) 6.019 6.644 ( 0.000 0.000 -7.045) 7.045 6.699 ( 0.000 0.000 -5.122) 5.122 6.708 ( 0.000 0.000 0.378) 0.378 6.879 ( 0.000 0.000 4.498) 4.498 7.283 ( 0.000 0.000 1.930) 1.930 7.361 ( 0.000 0.000 -7.742) 7.742 7.603 ( 0.000 0.000 8.504) 8.504 7.770 ( 0.000 0.000 -1.442) 1.442 7.878 ( 0.000 0.000 -2.320) 2.320 7.994 ( 0.000 0.000 3.849) 3.849 8.198 ( 0.000 0.000 -6.400) 6.400 8.411 ( 0.000 0.000 4.663) 4.663 8.633 ( 0.000 0.000 -5.134) 5.134 8.713 ( 0.000 0.000 -15.438) 15.438 8.733 ( 0.000 0.000 -4.841) 4.841 9.385 ( 0.000 0.000 2.039) 2.039 9.670 ( 0.000 0.000 -0.061) 0.061 10.223 ( 0.000 0.000 -19.997) 19.997 10.268 ( 0.000 0.000 -17.744) 17.744 10.799 ( 0.000 0.000 20.705) 20.705 11.408 ( 0.000 0.000 5.962) 5.962 11.435 ( 0.000 0.000 4.443) 4.443 12.036 ( 0.000 0.000 -11.622) 11.622 13.005 ( 0.000 0.000 1.614) 1.614 13.099 ( 0.000 0.000 3.352) 3.352 13.121 ( 0.000 0.000 10.291) 10.291 13.338 ( 0.000 0.000 -10.552) 10.552 15.127 ( 0.000 0.000 15.734) 15.734 15.406 ( 0.000 0.000 0.159) 0.159 15.756 ( 0.000 0.000 0.833) 0.833 15.799 ( 0.000 0.000 6.303) 6.303 15.852 ( 0.000 0.000 1.066) 1.066 15.914 ( 0.000 0.000 -1.054) 1.054 16.240 ( 0.000 0.000 -3.307) 3.307 17.057 ( 0.000 0.000 -3.157) 3.157 17.594 ( 0.000 0.000 18.259) 18.259 18.486 ( 0.000 0.000 1.686) 1.686 18.828 ( 0.000 0.000 -2.996) 2.996 18.998 ( 0.000 0.000 -13.060) 13.060 19.091 ( 0.000 0.000 3.171) 3.171 19.092 ( 0.000 0.000 3.642) 3.642 19.673 ( 0.000 0.000 -3.933) 3.933 19.734 ( 0.000 0.000 -2.843) 2.843 21.358 ( 0.000 0.000 8.915) 8.915 21.368 ( 0.000 0.000 7.691) 7.691 21.572 ( 0.000 0.000 4.801) 4.801 22.271 ( 0.000 0.000 1.967) 1.967 22.350 ( 0.000 0.000 -3.221) 3.221 22.947 ( 0.000 0.000 -6.475) 6.475 23.068 ( 0.000 0.000 -7.746) 7.746 23.083 ( 0.000 0.000 -8.539) 8.539 ======================= Grid point 111 (38/108) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.296 0.000 26.682) 26.684 1.365 ( 4.958 0.000 27.792) 28.231 1.962 ( 9.766 0.000 9.589) 13.686 2.447 ( -0.440 0.000 35.094) 35.097 2.597 ( -1.709 0.000 -0.449) 1.767 2.723 ( -2.726 0.000 -13.216) 13.495 2.885 ( 13.316 0.000 37.060) 39.380 3.162 ( 19.481 0.000 13.923) 23.945 4.221 ( -7.613 0.000 -8.300) 11.263 4.328 ( -11.588 0.000 -4.366) 12.383 4.766 ( -2.436 0.000 -7.116) 7.522 4.809 ( 11.482 0.000 2.404) 11.731 5.000 ( 8.298 0.000 -4.845) 9.609 5.076 ( 0.159 0.000 -7.049) 7.051 5.100 ( -1.169 0.000 8.823) 8.900 5.377 ( 2.418 0.000 1.563) 2.880 5.553 ( -4.105 0.000 -9.756) 10.585 5.798 ( -2.413 0.000 2.682) 3.608 5.945 ( -3.503 0.000 1.534) 3.825 6.088 ( -0.064 0.000 2.801) 2.801 6.124 ( -0.200 0.000 5.584) 5.587 6.608 ( -2.626 0.000 -5.488) 6.084 6.665 ( -4.799 0.000 1.119) 4.927 6.702 ( -1.751 0.000 -8.660) 8.835 6.917 ( 4.540 0.000 6.295) 7.761 7.239 ( -1.433 0.000 2.958) 3.286 7.420 ( 4.400 0.000 -7.813) 8.967 7.489 ( -10.330 0.000 4.336) 11.203 7.836 ( -2.994 0.000 4.356) 5.285 7.901 ( 11.733 0.000 -5.209) 12.837 8.063 ( 4.494 0.000 2.903) 5.350 8.148 ( -4.560 0.000 -2.008) 4.982 8.430 ( 1.417 0.000 0.338) 1.456 8.669 ( 3.471 0.000 -4.620) 5.779 8.708 ( -0.670 0.000 -11.726) 11.745 8.757 ( 2.385 0.000 -4.709) 5.279 9.356 ( -2.597 0.000 2.264) 3.445 9.630 ( -3.945 0.000 0.470) 3.973 10.152 ( -3.693 0.000 -20.699) 21.026 10.341 ( 3.996 0.000 -17.970) 18.409 10.782 ( -1.249 0.000 20.008) 20.047 11.400 ( -0.521 0.000 5.982) 6.004 11.443 ( 0.603 0.000 4.480) 4.520 11.915 ( -11.418 0.000 -6.287) 13.034 12.987 ( -1.257 0.000 0.989) 1.599 13.085 ( -3.393 0.000 11.896) 12.370 13.126 ( 2.161 0.000 3.166) 3.834 13.264 ( -7.339 0.000 -9.201) 11.769 15.092 ( -3.365 0.000 15.345) 15.709 15.314 ( -6.483 0.000 5.258) 8.347 15.697 ( -3.099 0.000 6.747) 7.425 15.755 ( -0.037 0.000 0.134) 0.139 15.882 ( 3.025 0.000 1.458) 3.358 16.172 ( 13.647 0.000 -0.645) 13.662 16.212 ( -2.718 0.000 -2.662) 3.805 17.002 ( -5.670 0.000 -3.102) 6.463 17.330 ( -18.388 0.000 18.430) 26.034 18.466 ( -2.014 0.000 1.557) 2.546 18.831 ( -1.562 0.000 1.687) 2.299 18.914 ( -8.101 0.000 -11.168) 13.797 19.084 ( 0.337 0.000 4.966) 4.977 19.127 ( 2.065 0.000 4.999) 5.409 19.648 ( -0.917 0.000 -4.513) 4.605 19.787 ( 3.513 0.000 -2.955) 4.591 21.371 ( 2.867 0.000 4.355) 5.214 21.390 ( 2.588 0.000 5.524) 6.101 21.641 ( 6.595 0.000 5.282) 8.449 22.255 ( -1.596 0.000 1.639) 2.288 22.402 ( 3.238 0.000 -8.185) 8.802 22.934 ( -1.073 0.000 -5.999) 6.094 23.050 ( -3.427 0.000 -8.005) 8.707 23.096 ( 2.242 0.000 -6.771) 7.132 ======================= Grid point 112 (39/108) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 12.005 0.000 16.817) 20.663 1.502 ( 9.086 0.000 18.858) 20.933 2.188 ( 12.868 0.000 6.572) 14.449 2.500 ( 5.676 0.000 22.292) 23.004 2.637 ( 0.924 0.000 1.492) 1.754 2.678 ( 2.669 0.000 -17.643) 17.844 3.109 ( 8.407 0.000 30.504) 31.641 3.551 ( 19.321 0.000 14.274) 24.022 4.109 ( -3.326 0.000 -5.503) 6.430 4.143 ( -6.682 0.000 -11.076) 12.936 4.703 ( -3.985 0.000 -8.622) 9.498 4.982 ( 5.916 0.000 0.049) 5.916 5.057 ( 0.082 0.000 -9.991) 9.991 5.082 ( -0.252 0.000 6.296) 6.301 5.138 ( 2.995 0.000 0.856) 3.115 5.430 ( 2.399 0.000 -4.685) 5.264 5.459 ( -5.250 0.000 -5.591) 7.670 5.741 ( -3.198 0.000 4.484) 5.507 5.876 ( -3.661 0.000 4.774) 6.016 6.083 ( -0.743 0.000 1.061) 1.295 6.124 ( 0.735 0.000 4.208) 4.272 6.536 ( -7.510 0.000 1.395) 7.638 6.546 ( -4.011 0.000 -2.199) 4.575 6.642 ( -3.114 0.000 -9.991) 10.465 7.023 ( 5.043 0.000 5.776) 7.668 7.258 ( 3.037 0.000 3.582) 4.696 7.261 ( -12.563 0.000 2.163) 12.748 7.526 ( 6.811 0.000 -6.997) 9.764 7.782 ( -2.198 0.000 6.842) 7.186 8.041 ( -6.021 0.000 3.813) 7.127 8.119 ( 1.053 0.000 6.115) 6.205 8.148 ( 12.344 0.000 -9.566) 15.617 8.447 ( 0.036 0.000 -3.791) 3.791 8.677 ( -2.611 0.000 -4.952) 5.598 8.750 ( 4.511 0.000 -3.630) 5.790 8.815 ( 3.442 0.000 -4.319) 5.523 9.308 ( -1.784 0.000 1.792) 2.529 9.538 ( -5.095 0.000 1.805) 5.406 10.110 ( -0.514 0.000 -22.135) 22.141 10.393 ( 1.194 0.000 -18.067) 18.107 10.774 ( 0.755 0.000 17.463) 17.479 11.397 ( 0.350 0.000 6.189) 6.199 11.455 ( 0.657 0.000 4.006) 4.059 11.660 ( -13.885 0.000 1.734) 13.993 12.972 ( -0.070 0.000 -0.335) 0.343 13.004 ( -5.161 0.000 11.184) 12.318 13.085 ( -10.179 0.000 -4.669) 11.199 13.163 ( 1.394 0.000 2.456) 2.824 15.025 ( -2.886 0.000 14.127) 14.419 15.216 ( -4.046 0.000 9.199) 10.050 15.665 ( -0.785 0.000 8.210) 8.247 15.756 ( 0.172 0.000 -1.375) 1.386 15.960 ( 4.826 0.000 2.134) 5.277 16.151 ( -3.272 0.000 -0.821) 3.373 16.224 ( -8.379 0.000 17.664) 19.550 16.846 ( -10.258 0.000 -2.949) 10.674 17.224 ( 9.022 0.000 -1.007) 9.078 18.414 ( -3.262 0.000 1.046) 3.425 18.725 ( -10.727 0.000 -7.934) 13.343 18.751 ( -6.438 0.000 3.201) 7.189 19.093 ( 0.456 0.000 7.529) 7.542 19.156 ( 0.894 0.000 7.278) 7.333 19.652 ( 1.166 0.000 -5.434) 5.558 19.840 ( 1.840 0.000 -2.793) 3.345 21.472 ( 5.860 0.000 1.932) 6.170 21.493 ( 9.426 0.000 -3.244) 9.969 21.797 ( 9.086 0.000 4.705) 10.232 22.212 ( -2.713 0.000 1.024) 2.900 22.422 ( -1.232 0.000 -12.573) 12.633 22.913 ( -1.050 0.000 -4.509) 4.629 22.955 ( -6.416 0.000 -6.559) 9.176 23.122 ( 0.031 0.000 -4.786) 4.786 ======================= Grid point 113 (40/108) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 20.548 0.000 3.751) 20.888 1.703 ( 11.680 0.000 10.146) 15.471 2.419 ( 10.255 0.000 3.435) 10.815 2.542 ( -7.200 0.000 -3.994) 8.234 2.643 ( 8.618 0.000 15.515) 17.748 2.888 ( 14.701 0.000 -13.523) 19.974 3.177 ( -1.241 0.000 18.284) 18.326 3.764 ( 0.047 0.000 0.238) 0.242 4.102 ( 2.480 0.000 -4.698) 5.312 4.181 ( 12.777 0.000 -5.592) 13.947 4.617 ( -4.946 0.000 -9.350) 10.578 5.029 ( -0.198 0.000 -3.039) 3.046 5.039 ( -2.172 0.000 -6.834) 7.171 5.092 ( 0.490 0.000 4.240) 4.269 5.168 ( 0.812 0.000 1.022) 1.306 5.358 ( -5.241 0.000 -1.406) 5.426 5.436 ( -1.653 0.000 -6.763) 6.962 5.688 ( -1.926 0.000 4.250) 4.666 5.783 ( -6.614 0.000 6.361) 9.177 6.039 ( -4.382 0.000 -1.766) 4.725 6.171 ( 4.361 0.000 3.967) 5.896 6.428 ( -3.178 0.000 -1.042) 3.345 6.477 ( -2.050 0.000 3.465) 4.027 6.613 ( 0.113 0.000 -6.913) 6.914 7.026 ( -10.389 0.000 2.056) 10.591 7.074 ( -1.483 0.000 2.470) 2.882 7.338 ( 5.125 0.000 4.308) 6.695 7.681 ( 9.193 0.000 -4.653) 10.303 7.771 ( 1.459 0.000 7.717) 7.854 7.916 ( -6.755 0.000 6.643) 9.474 8.102 ( -2.605 0.000 8.996) 9.366 8.346 ( 7.824 0.000 -10.345) 12.971 8.416 ( -3.558 0.000 -0.802) 3.647 8.621 ( -2.699 0.000 -5.504) 6.130 8.832 ( 3.908 0.000 -3.109) 4.994 8.879 ( 2.978 0.000 -3.698) 4.748 9.299 ( 0.740 0.000 2.138) 2.263 9.450 ( -3.855 0.000 3.755) 5.382 10.129 ( 2.225 0.000 -22.083) 22.194 10.386 ( -1.830 0.000 -18.257) 18.349 10.815 ( 3.542 0.000 13.719) 14.168 11.411 ( -11.863 0.000 5.211) 12.957 11.415 ( 1.463 0.000 5.760) 5.943 11.469 ( 0.758 0.000 3.362) 3.446 12.868 ( -8.129 0.000 1.192) 8.216 12.929 ( -6.167 0.000 7.368) 9.609 12.986 ( 1.497 0.000 -1.500) 2.119 13.173 ( -0.486 0.000 1.219) 1.313 14.992 ( -0.624 0.000 12.671) 12.686 15.145 ( -3.466 0.000 10.160) 10.735 15.662 ( 0.446 0.000 10.992) 11.001 15.767 ( 1.217 0.000 -2.649) 2.916 16.013 ( -10.771 0.000 23.647) 25.984 16.057 ( 4.568 0.000 3.679) 5.865 16.095 ( -1.983 0.000 0.239) 1.997 16.628 ( -11.836 0.000 -2.563) 12.111 17.516 ( 17.948 0.000 -10.385) 20.736 18.350 ( -3.131 0.000 -0.010) 3.131 18.529 ( -9.185 0.000 -5.616) 10.765 18.598 ( -9.350 0.000 0.777) 9.383 19.103 ( 0.598 0.000 8.522) 8.543 19.164 ( -0.078 0.000 7.645) 7.645 19.687 ( 2.418 0.000 -5.540) 6.045 19.856 ( -0.184 0.000 -2.763) 2.769 21.605 ( 7.719 0.000 -1.095) 7.797 21.706 ( 12.079 0.000 -8.335) 14.676 21.964 ( 7.218 0.000 1.253) 7.326 22.164 ( -1.259 0.000 1.986) 2.351 22.367 ( -4.217 0.000 -14.022) 14.642 22.809 ( -8.681 0.000 -4.485) 9.771 22.900 ( -0.143 0.000 -2.856) 2.860 23.095 ( -2.694 0.000 -3.053) 4.071 ======================= Grid point 114 (41/108) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 12.391 0.000 4.471) 13.173 2.082 ( 19.988 0.000 -2.172) 20.106 2.377 ( -9.870 0.000 -1.142) 9.936 2.532 ( 0.182 0.000 0.250) 0.309 2.814 ( 8.891 0.000 11.808) 14.781 3.095 ( -6.129 0.000 10.915) 12.518 3.191 ( 15.905 0.000 -16.761) 23.106 3.666 ( -8.138 0.000 -13.471) 15.738 4.196 ( 7.093 0.000 -6.773) 9.808 4.488 ( 16.316 0.000 0.185) 16.318 4.509 ( -6.640 0.000 -10.412) 12.349 4.964 ( -7.192 0.000 -3.057) 7.815 4.999 ( -1.093 0.000 -4.986) 5.104 5.112 ( 2.268 0.000 2.439) 3.331 5.132 ( -5.313 0.000 -5.085) 7.354 5.262 ( -4.704 0.000 -0.170) 4.707 5.426 ( 2.229 0.000 2.563) 3.397 5.640 ( -7.454 0.000 6.645) 9.986 5.684 ( 1.934 0.000 2.793) 3.397 5.915 ( -7.877 0.000 -2.238) 8.188 6.272 ( 5.411 0.000 1.262) 5.557 6.396 ( -1.125 0.000 -2.705) 2.929 6.488 ( 3.030 0.000 9.035) 9.530 6.631 ( 0.397 0.000 2.772) 2.801 6.859 ( -5.120 0.000 -3.657) 6.291 6.999 ( -6.023 0.000 -1.917) 6.321 7.453 ( 6.823 0.000 5.521) 8.777 7.747 ( -6.755 0.000 4.560) 8.150 7.834 ( 4.655 0.000 8.936) 10.076 7.907 ( 9.991 0.000 0.477) 10.002 8.030 ( -4.651 0.000 10.109) 11.128 8.297 ( -8.055 0.000 0.688) 8.084 8.465 ( 4.416 0.000 -7.870) 9.025 8.578 ( -2.076 0.000 -9.591) 9.813 8.896 ( 2.634 0.000 -2.915) 3.929 8.922 ( 1.378 0.000 -3.164) 3.451 9.324 ( 1.540 0.000 4.781) 5.022 9.391 ( -2.386 0.000 5.793) 6.266 10.186 ( 3.470 0.000 -20.766) 21.054 10.331 ( -3.598 0.000 -18.604) 18.949 10.907 ( 5.925 0.000 9.997) 11.621 11.206 ( -9.611 0.000 6.191) 11.432 11.448 ( 1.747 0.000 4.622) 4.941 11.480 ( 0.270 0.000 3.188) 3.199 12.752 ( -3.300 0.000 2.324) 4.036 12.819 ( -5.200 0.000 6.903) 8.642 13.028 ( 2.788 0.000 -1.944) 3.399 13.144 ( -2.391 0.000 -0.244) 2.404 14.997 ( 1.075 0.000 11.523) 11.573 15.082 ( -3.079 0.000 10.456) 10.900 15.684 ( 1.976 0.000 14.357) 14.492 15.814 ( 3.905 0.000 -2.433) 4.601 15.843 ( -6.921 0.000 21.250) 22.349 16.020 ( -4.603 0.000 2.085) 5.053 16.169 ( 5.418 0.000 1.894) 5.740 16.420 ( -9.317 0.000 -1.217) 9.396 17.853 ( 16.708 0.000 -10.132) 19.540 18.305 ( -1.307 0.000 -1.460) 1.960 18.384 ( -5.822 0.000 -4.156) 7.153 18.396 ( -11.681 0.000 -3.197) 12.111 19.117 ( 0.941 0.000 8.457) 8.509 19.155 ( -0.748 0.000 7.765) 7.801 19.739 ( 2.882 0.000 -4.905) 5.689 19.836 ( -1.741 0.000 -3.174) 3.620 21.756 ( 7.719 0.000 -3.037) 8.295 21.933 ( 11.217 0.000 -11.595) 16.133 21.994 ( -3.557 0.000 -3.738) 5.160 22.241 ( 8.673 0.000 3.919) 9.518 22.267 ( -6.241 0.000 -14.248) 15.555 22.628 ( -10.054 0.000 -1.942) 10.239 22.912 ( 1.514 0.000 -1.730) 2.300 23.029 ( -3.870 0.000 -1.938) 4.328 ======================= Grid point 115 (42/108) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -11.651 0.000 1.296) 11.723 2.169 ( 11.651 0.000 1.296) 11.723 2.406 ( -12.753 0.000 -2.279) 12.955 2.406 ( 12.753 0.000 -2.279) 12.955 2.969 ( -7.111 0.000 9.898) 12.188 2.969 ( 7.111 0.000 9.898) 12.188 3.468 ( -12.544 0.000 -17.352) 21.411 3.468 ( 12.544 0.000 -17.352) 21.411 4.357 ( -8.928 0.000 -9.934) 13.356 4.357 ( 8.928 0.000 -9.934) 13.356 4.768 ( -12.691 0.000 -0.884) 12.722 4.768 ( 12.691 0.000 -0.884) 12.722 5.024 ( -4.074 0.000 -5.364) 6.736 5.024 ( 4.074 0.000 -5.364) 6.736 5.177 ( -4.160 0.000 0.335) 4.174 5.177 ( 4.160 0.000 0.335) 4.174 5.511 ( -5.876 0.000 6.391) 8.681 5.511 ( 5.876 0.000 6.391) 8.681 5.769 ( -6.642 0.000 0.559) 6.666 5.769 ( 6.642 0.000 0.559) 6.666 6.357 ( -3.207 0.000 -1.731) 3.644 6.357 ( 3.207 0.000 -1.731) 3.644 6.574 ( -5.190 0.000 10.945) 12.114 6.574 ( 5.190 0.000 10.945) 12.114 6.877 ( -5.525 0.000 -7.150) 9.036 6.877 ( 5.525 0.000 -7.150) 9.036 7.597 ( -8.030 0.000 6.022) 10.038 7.597 ( 8.030 0.000 6.022) 10.038 7.933 ( -5.332 0.000 9.884) 11.230 7.933 ( 5.332 0.000 9.884) 11.230 8.115 ( -10.627 0.000 0.672) 10.649 8.115 ( 10.627 0.000 0.672) 10.649 8.533 ( -2.831 0.000 -9.291) 9.713 8.533 ( 2.831 0.000 -9.291) 9.713 8.929 ( -0.728 0.000 -2.900) 2.990 8.929 ( 0.728 0.000 -2.900) 2.990 9.354 ( -1.632 0.000 6.542) 6.742 9.354 ( 1.632 0.000 6.542) 6.742 10.257 ( -3.934 0.000 -19.420) 19.814 10.257 ( 3.934 0.000 -19.420) 19.814 11.039 ( -7.837 0.000 7.405) 10.782 11.039 ( 7.837 0.000 7.405) 10.782 11.475 ( -0.890 0.000 3.623) 3.730 11.475 ( 0.890 0.000 3.623) 3.731 12.744 ( -2.174 0.000 4.639) 5.123 12.744 ( 2.174 0.000 4.639) 5.123 13.088 ( -3.257 0.000 -1.458) 3.569 13.088 ( 3.257 0.000 -1.458) 3.569 15.030 ( -2.285 0.000 10.823) 11.062 15.030 ( 2.285 0.000 10.823) 11.062 15.741 ( -4.004 0.000 17.824) 18.268 15.741 ( 4.004 0.000 17.824) 18.268 15.913 ( -6.011 0.000 -0.510) 6.032 15.913 ( 6.011 0.000 -0.510) 6.032 16.276 ( -6.065 0.000 1.014) 6.149 16.276 ( 6.065 0.000 1.014) 6.149 18.149 ( -14.143 0.000 -7.168) 15.856 18.149 ( 14.143 0.000 -7.168) 15.856 18.309 ( -1.965 0.000 -2.894) 3.498 18.309 ( 1.965 0.000 -2.894) 3.498 19.137 ( -1.060 0.000 8.082) 8.151 19.137 ( 1.060 0.000 8.082) 8.151 19.793 ( -2.649 0.000 -3.977) 4.778 19.793 ( 2.649 0.000 -3.977) 4.778 21.893 ( -6.437 0.000 -3.824) 7.487 21.893 ( 6.437 0.000 -3.824) 7.487 22.125 ( -8.687 0.000 -13.535) 16.082 22.125 ( 8.687 0.000 -13.535) 16.082 22.430 ( -10.377 0.000 0.982) 10.424 22.430 ( 10.377 0.000 0.982) 10.424 22.959 ( -3.252 0.000 -1.424) 3.550 22.959 ( 3.252 0.000 -1.424) 3.550 ======================= Grid point 121 (43/108) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 -0.845 19.704) 19.722 1.281 ( 0.000 0.983 21.936) 21.958 1.847 ( 0.000 -3.876 17.122) 17.555 2.253 ( 0.000 -24.252 8.244) 25.615 2.630 ( 0.000 13.444 45.824) 47.755 2.810 ( 0.000 5.851 6.561) 8.791 2.975 ( 0.000 6.134 12.558) 13.976 2.977 ( 0.000 7.391 10.630) 12.947 4.181 ( 0.000 -7.632 -6.258) 9.870 4.426 ( 0.000 -13.303 10.781) 17.123 4.669 ( 0.000 6.657 -10.253) 12.224 4.792 ( 0.000 -0.559 -3.530) 3.574 4.975 ( 0.000 9.274 -1.830) 9.452 5.104 ( 0.000 2.101 -6.969) 7.278 5.184 ( 0.000 5.745 8.054) 9.893 5.261 ( 0.000 -5.896 0.996) 5.980 5.629 ( 0.000 -3.365 -3.272) 4.694 5.820 ( 0.000 -20.999 4.747) 21.529 5.881 ( 0.000 10.237 -4.233) 11.078 6.018 ( 0.000 2.721 2.022) 3.390 6.070 ( 0.000 -2.415 1.747) 2.980 6.525 ( 0.000 -13.827 -5.351) 14.826 6.686 ( 0.000 3.369 -6.805) 7.593 6.747 ( 0.000 0.909 -1.347) 1.625 7.086 ( 0.000 13.079 1.744) 13.195 7.281 ( 0.000 -0.270 3.352) 3.363 7.539 ( 0.000 15.553 -3.193) 15.878 7.618 ( 0.000 1.363 3.509) 3.764 7.740 ( 0.000 -1.319 0.898) 1.596 7.901 ( 0.000 1.367 -2.754) 3.074 7.973 ( 0.000 -2.044 0.850) 2.214 8.271 ( 0.000 7.374 -6.794) 10.026 8.291 ( 0.000 -11.835 4.842) 12.787 8.619 ( 0.000 -3.797 -7.921) 8.784 8.674 ( 0.000 -1.727 -9.254) 9.414 8.718 ( 0.000 -1.396 -5.115) 5.302 9.429 ( 0.000 4.350 1.683) 4.664 9.634 ( 0.000 -3.607 0.257) 3.616 10.221 ( 0.000 0.066 -18.235) 18.235 10.257 ( 0.000 -1.029 -17.342) 17.373 10.899 ( 0.000 9.474 18.428) 20.720 11.342 ( 0.000 -7.059 7.702) 10.447 11.473 ( 0.000 3.925 4.802) 6.202 11.856 ( 0.000 -15.074 -0.610) 15.086 12.824 ( 0.000 -6.508 11.296) 13.036 12.920 ( 0.000 -6.384 2.109) 6.723 13.432 ( 0.000 7.084 -10.736) 12.862 13.456 ( 0.000 11.588 -7.099) 13.590 15.112 ( 0.000 -1.119 14.761) 14.803 15.236 ( 0.000 -10.559 6.350) 12.321 15.778 ( 0.000 1.292 1.947) 2.337 15.818 ( 0.000 1.867 4.390) 4.770 15.838 ( 0.000 -1.271 1.163) 1.723 15.898 ( 0.000 -1.473 -0.104) 1.477 16.465 ( 0.000 17.035 -6.290) 18.159 16.981 ( 0.000 -7.377 -3.481) 8.157 17.684 ( 0.000 8.640 18.043) 20.005 18.256 ( 0.000 -17.685 11.612) 21.156 18.904 ( 0.000 4.424 -7.843) 9.005 18.991 ( 0.000 -0.746 -12.912) 12.934 19.075 ( 0.000 -0.997 2.710) 2.888 19.084 ( 0.000 -0.767 3.692) 3.771 19.693 ( 0.000 1.476 -4.049) 4.310 19.730 ( 0.000 -0.413 -3.081) 3.108 21.362 ( 0.000 0.365 8.695) 8.702 21.369 ( 0.000 0.088 7.737) 7.738 21.592 ( 0.000 2.254 5.511) 5.954 21.889 ( 0.000 -15.836 7.917) 17.704 22.764 ( 0.000 18.068 -10.972) 21.139 22.960 ( 0.000 1.337 -6.569) 6.704 23.033 ( 0.000 -2.379 -7.328) 7.705 23.086 ( 0.000 -1.035 -9.597) 9.652 ======================= Grid point 122 (44/108) ======================= q-point: ( 0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.884 3.724 16.557) 17.659 1.396 ( 7.648 3.088 22.002) 23.497 1.905 ( 5.863 -6.631 14.659) 17.124 2.183 ( -3.452 -19.747 11.515) 23.118 2.702 ( -0.023 6.003 11.271) 12.770 2.776 ( 5.670 8.605 17.532) 20.336 2.999 ( 3.413 4.287 19.620) 20.371 3.222 ( 18.340 5.498 13.627) 23.501 4.040 ( -9.062 -9.751 -4.591) 14.081 4.444 ( -6.442 4.083 -2.954) 8.179 4.673 ( 8.696 -7.112 2.130) 11.434 4.857 ( 1.540 3.890 -8.531) 9.502 5.028 ( 3.316 4.264 -3.127) 6.242 5.106 ( 0.800 3.002 -2.843) 4.212 5.169 ( -0.723 3.587 4.236) 5.598 5.292 ( 2.725 -3.368 -1.285) 4.519 5.558 ( -4.114 -8.219 -0.132) 9.193 5.843 ( -2.566 8.995 -3.568) 10.011 5.882 ( 1.962 -13.502 5.395) 14.672 5.973 ( -3.873 2.037 3.135) 5.383 6.094 ( 2.513 -1.693 0.363) 3.052 6.494 ( -3.052 -13.550 -5.251) 14.849 6.621 ( -5.019 0.397 -4.127) 6.510 6.786 ( 2.068 4.853 -2.276) 5.745 7.014 ( -5.213 6.450 1.657) 8.458 7.319 ( 1.576 2.214 3.158) 4.167 7.495 ( -4.489 9.525 1.280) 10.608 7.604 ( 0.407 10.995 -2.815) 11.357 7.765 ( -0.508 -3.789 1.484) 4.101 7.934 ( 7.006 0.551 -4.295) 8.236 8.027 ( 3.180 -2.598 0.818) 4.187 8.179 ( -5.303 -1.033 2.292) 5.869 8.365 ( 3.650 -2.507 -2.366) 5.021 8.637 ( 1.028 -5.389 -8.840) 10.404 8.697 ( 2.735 0.642 -5.499) 6.175 8.748 ( 2.915 -0.913 -4.876) 5.754 9.393 ( -3.436 3.716 2.103) 5.481 9.595 ( -3.712 -3.402 0.752) 5.091 10.155 ( -3.340 0.326 -19.783) 20.066 10.323 ( 3.527 -1.393 -16.628) 17.054 10.868 ( -2.596 7.849 17.938) 19.751 11.336 ( -0.584 -6.974 7.841) 10.510 11.460 ( -1.036 2.004 4.627) 5.148 11.812 ( -4.621 -8.165 0.158) 9.384 12.822 ( -0.262 -6.398 9.759) 11.673 12.921 ( -0.032 -7.298 3.120) 7.938 13.360 ( -6.732 8.085 -8.051) 13.248 13.407 ( -4.656 9.632 -5.433) 11.999 15.072 ( -3.563 -1.793 14.282) 14.828 15.213 ( -1.830 -6.632 8.183) 10.691 15.669 ( -5.247 -1.232 6.688) 8.589 15.778 ( -0.025 1.291 0.727) 1.482 15.875 ( 3.177 -0.643 1.654) 3.639 16.125 ( 9.717 -1.003 2.617) 10.113 16.456 ( -0.387 16.303 -7.514) 17.955 16.938 ( -4.383 -6.300 -3.863) 8.592 17.366 ( -21.351 2.881 18.894) 28.656 18.350 ( 4.411 -8.778 7.798) 12.543 18.787 ( -8.015 -1.967 -6.427) 10.460 18.962 ( -4.089 2.290 -3.597) 5.908 19.098 ( 1.105 0.305 3.946) 4.109 19.142 ( 3.091 1.558 0.729) 3.537 19.653 ( -1.503 0.371 -4.171) 4.449 19.787 ( 3.382 -0.008 -3.157) 4.627 21.362 ( 2.349 -0.535 5.286) 5.809 21.399 ( 2.783 0.563 4.737) 5.523 21.662 ( 6.696 2.242 5.745) 9.104 21.968 ( 6.203 -13.953 4.829) 16.015 22.679 ( -7.179 12.595 -11.120) 18.271 22.937 ( -2.243 0.040 -6.423) 6.803 23.026 ( -1.080 -1.369 -7.074) 7.285 23.119 ( 2.066 1.379 -7.841) 8.225 ======================= Grid point 123 (45/108) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 15.154 9.823 10.142) 20.712 1.540 ( 7.509 5.059 17.244) 19.477 2.046 ( 7.654 -12.405 9.051) 17.158 2.204 ( 6.214 -19.552 5.942) 21.359 2.735 ( 4.114 8.110 2.141) 9.343 2.867 ( 3.311 7.820 1.076) 8.560 3.101 ( 5.438 -0.640 27.569) 28.107 3.591 ( 18.302 3.543 14.722) 23.755 3.915 ( -2.853 -8.618 -9.644) 13.245 4.309 ( -5.806 6.790 -7.336) 11.560 4.770 ( -1.426 5.076 -7.801) 9.415 4.932 ( 7.179 -4.138 1.426) 8.408 5.041 ( -0.343 0.810 -4.437) 4.523 5.111 ( -0.659 2.045 2.033) 2.958 5.167 ( -0.255 0.246 0.563) 0.665 5.335 ( 0.803 -1.259 -6.019) 6.202 5.541 ( 1.721 -4.598 0.720) 4.962 5.758 ( -5.908 5.717 -0.808) 8.260 5.862 ( -3.205 -4.521 3.871) 6.759 5.917 ( -1.786 -3.208 7.386) 8.249 6.151 ( 2.063 -0.669 -1.458) 2.613 6.421 ( -4.209 -10.787 -2.992) 11.960 6.522 ( -4.196 -0.865 -2.649) 5.037 6.807 ( 0.218 9.629 -0.316) 9.637 6.939 ( -2.275 -2.091 1.901) 3.627 7.237 ( -9.405 -0.031 -1.696) 9.557 7.483 ( 3.268 12.007 4.560) 13.253 7.632 ( 2.073 10.592 -4.295) 11.616 7.733 ( -1.421 -3.761 3.756) 5.502 8.037 ( -4.121 -1.100 3.603) 5.584 8.065 ( 1.936 -3.301 0.781) 3.906 8.160 ( 7.733 -2.549 -5.471) 9.810 8.418 ( 1.667 -0.232 -1.408) 2.194 8.632 ( -1.785 -4.345 -3.976) 6.154 8.771 ( 4.439 1.698 -3.820) 6.098 8.820 ( 4.286 0.016 -4.949) 6.548 9.320 ( -3.297 1.471 1.955) 4.106 9.512 ( -4.432 -2.372 2.091) 5.444 10.118 ( -0.361 0.682 -21.615) 21.629 10.370 ( 1.212 -1.788 -16.702) 16.842 10.829 ( -0.919 4.803 15.915) 16.650 11.320 ( -1.070 -7.011 7.878) 10.600 11.448 ( 0.035 0.468 4.313) 4.338 11.684 ( -8.200 1.332 1.738) 8.487 12.808 ( -1.455 -6.399 5.742) 8.720 12.911 ( -1.228 -7.474 5.717) 9.489 13.213 ( -7.520 8.444 -4.245) 12.078 13.306 ( -5.237 6.469 -2.207) 8.611 15.010 ( -2.379 -1.210 13.454) 13.716 15.175 ( -2.160 -2.966 9.787) 10.452 15.616 ( -0.907 -2.646 8.929) 9.357 15.781 ( 0.311 1.333 -0.659) 1.519 15.954 ( 4.835 -0.497 2.321) 5.387 16.149 ( -5.296 -0.048 12.576) 13.646 16.384 ( -8.903 13.038 2.236) 15.946 16.800 ( -10.306 -4.894 -3.024) 11.803 17.224 ( 8.799 0.046 -0.793) 8.835 18.378 ( -0.969 -2.991 3.441) 4.661 18.630 ( -8.284 -3.752 -4.753) 10.261 18.841 ( -8.432 3.526 -1.781) 9.311 19.112 ( 0.359 1.237 6.156) 6.289 19.161 ( -0.157 0.626 7.426) 7.454 19.652 ( 1.131 0.003 -5.382) 5.499 19.838 ( 1.778 -0.191 -2.821) 3.340 21.471 ( 7.500 -0.109 -0.090) 7.502 21.492 ( 7.752 -0.090 -1.230) 7.849 21.820 ( 9.044 2.323 4.895) 10.543 22.067 ( 3.644 -9.341 1.355) 10.118 22.531 ( -7.803 5.987 -11.672) 15.263 22.877 ( -4.016 -1.994 -5.974) 7.470 22.992 ( -2.329 2.035 -5.576) 6.376 23.129 ( -1.158 0.540 -4.715) 4.885 ======================= Grid point 124 (46/108) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 8.233 2.023 11.345) 14.163 1.808 ( 19.733 9.659 2.759) 22.142 2.149 ( 2.519 -16.573 3.065) 17.041 2.409 ( 14.083 -15.328 1.095) 20.844 2.799 ( 1.046 12.561 3.133) 12.988 2.980 ( 9.463 3.626 -5.861) 11.707 3.149 ( -0.711 -2.452 16.194) 16.394 3.753 ( -1.474 -1.013 -2.886) 3.395 4.044 ( 13.904 -1.721 -1.941) 14.144 4.250 ( 0.539 3.700 -7.138) 8.058 4.705 ( -3.974 6.528 -9.977) 12.568 5.007 ( -0.067 -0.754 -1.156) 1.382 5.054 ( 1.848 1.366 -1.649) 2.829 5.098 ( -0.738 -0.972 1.123) 1.658 5.173 ( 1.273 0.541 0.847) 1.622 5.328 ( -1.001 0.285 -0.571) 1.187 5.532 ( -3.967 2.625 -2.606) 5.424 5.641 ( -5.684 -0.929 2.130) 6.141 5.780 ( -4.536 -3.996 2.551) 6.561 5.928 ( 1.922 -3.137 5.103) 6.291 6.118 ( -4.561 -3.040 -0.839) 5.545 6.350 ( -3.166 -7.244 -0.471) 7.919 6.507 ( 2.487 2.917 -2.112) 4.377 6.803 ( -0.771 9.261 5.504) 10.801 6.920 ( 0.042 -8.046 2.586) 8.452 7.050 ( -8.572 5.504 -6.370) 12.014 7.532 ( 0.891 10.095 4.568) 11.116 7.697 ( 5.096 1.092 -2.228) 5.668 7.737 ( 1.781 -1.857 4.933) 5.564 7.934 ( -5.486 1.201 5.512) 7.869 8.073 ( -0.350 -1.505 5.851) 6.052 8.305 ( 5.060 -5.788 -11.520) 13.850 8.423 ( -0.965 1.799 3.465) 4.021 8.575 ( -3.643 -3.447 -2.789) 5.739 8.854 ( 3.988 1.808 -3.886) 5.855 8.899 ( 3.649 1.238 -4.524) 5.942 9.288 ( -0.000 -0.786 2.061) 2.206 9.436 ( -3.405 -1.176 4.158) 5.502 10.139 ( 2.223 0.791 -21.876) 22.003 10.369 ( -1.289 -1.394 -17.773) 17.874 10.840 ( 2.098 2.098 13.170) 13.500 11.285 ( -3.285 -5.970 7.267) 9.963 11.459 ( 0.847 0.714 4.126) 4.272 11.534 ( -6.175 3.764 2.598) 7.685 12.763 ( -2.900 -5.524 2.831) 6.851 12.871 ( -2.871 -3.873 7.825) 9.191 13.103 ( -3.603 6.730 -2.198) 7.943 13.218 ( -3.934 2.637 -1.257) 4.900 14.985 ( -0.311 -0.532 12.316) 12.332 15.129 ( -2.606 -1.228 10.365) 10.758 15.620 ( 1.114 -2.574 11.440) 11.779 15.792 ( 1.015 1.530 -2.286) 2.932 15.996 ( -9.094 -0.587 21.505) 23.357 16.053 ( 5.312 -0.579 3.118) 6.186 16.220 ( -6.679 10.109 1.844) 12.256 16.580 ( -11.792 -4.867 -2.247) 12.953 17.517 ( 17.969 0.078 -10.446) 20.785 18.338 ( -2.694 -1.046 0.762) 2.988 18.478 ( -7.370 -2.693 -4.430) 9.011 18.654 ( -10.705 3.071 -1.395) 11.224 19.115 ( 0.160 1.132 8.339) 8.417 19.157 ( -0.226 -0.622 7.822) 7.850 19.687 ( 2.412 -0.005 -5.556) 6.057 19.853 ( -0.154 -0.203 -2.743) 2.755 21.615 ( 7.989 0.928 -1.677) 8.215 21.691 ( 11.392 -1.369 -7.671) 13.802 21.983 ( 6.754 1.807 0.797) 7.036 22.118 ( 2.897 -3.826 1.699) 5.091 22.385 ( -7.379 1.237 -12.275) 14.375 22.779 ( -6.389 -1.704 -5.093) 8.346 22.949 ( -1.808 3.430 -3.262) 5.067 23.083 ( -3.257 -1.163 -2.628) 4.343 ======================= Grid point 125 (47/108) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 8.467 -4.600 5.936) 11.317 2.089 ( 0.396 -11.697 6.062) 13.181 2.234 ( 15.088 5.143 -4.158) 16.474 2.685 ( 11.362 -5.321 -5.347) 13.638 2.765 ( -3.160 7.915 6.872) 10.948 3.064 ( -4.964 -3.263 8.116) 10.058 3.225 ( 12.778 1.770 -12.572) 18.013 3.665 ( -7.303 0.044 -13.228) 15.110 4.214 ( 4.902 1.636 -7.643) 9.226 4.337 ( 3.712 -5.799 -5.948) 9.098 4.680 ( 3.788 7.198 -4.171) 9.141 4.973 ( -3.909 2.586 -0.325) 4.699 5.063 ( -0.689 2.459 -2.536) 3.600 5.105 ( 1.444 2.777 -0.902) 3.258 5.187 ( 0.112 2.826 -0.278) 2.841 5.308 ( -1.773 3.520 3.207) 5.081 5.433 ( -3.427 0.612 0.346) 3.499 5.544 ( -4.596 -4.818 4.760) 8.185 5.725 ( -0.875 -1.500 1.987) 2.639 5.874 ( -6.997 -1.891 -3.270) 7.951 6.110 ( 3.907 -8.636 3.530) 10.115 6.287 ( -3.730 -7.805 1.156) 8.727 6.572 ( 3.704 3.848 -0.314) 5.350 6.750 ( -4.820 2.827 9.507) 11.028 6.932 ( 0.839 -3.016 0.004) 3.131 6.954 ( -1.321 11.322 -8.238) 14.064 7.549 ( 2.013 6.362 4.662) 8.141 7.723 ( -3.452 -1.719 6.009) 7.140 7.823 ( 4.810 -4.467 0.713) 6.603 7.877 ( 1.054 1.163 6.379) 6.570 8.070 ( 1.133 3.031 6.662) 7.406 8.295 ( -5.607 -0.859 -1.433) 5.851 8.431 ( 2.036 -2.930 -3.049) 4.693 8.513 ( -2.619 -4.604 -6.912) 8.708 8.920 ( 2.801 1.960 -3.731) 5.060 8.950 ( 1.503 1.923 -3.794) 4.511 9.308 ( 1.600 -1.349 4.562) 5.019 9.381 ( -2.409 -0.788 6.089) 6.596 10.193 ( 3.292 0.646 -20.690) 20.960 10.325 ( -3.044 -0.526 -18.656) 18.910 10.909 ( 5.073 0.244 9.983) 11.201 11.176 ( -7.490 -2.232 6.571) 10.211 11.466 ( 0.138 1.318 3.752) 3.980 11.483 ( -0.062 0.235 2.987) 2.997 12.722 ( -0.841 -2.258 3.521) 4.267 12.805 ( -3.811 -0.954 7.272) 8.265 13.072 ( 0.105 3.265 -2.281) 3.984 13.151 ( -3.158 0.372 -1.567) 3.545 14.994 ( 1.200 -0.224 11.380) 11.445 15.077 ( -2.754 -0.389 10.614) 10.973 15.656 ( 2.640 -1.938 14.289) 14.659 15.810 ( -2.492 -0.222 8.547) 8.905 15.867 ( -0.295 1.726 9.491) 9.651 16.096 ( -6.028 6.317 2.632) 9.119 16.159 ( 4.462 -0.578 1.449) 4.726 16.378 ( -8.608 -4.141 -0.638) 9.573 17.853 ( 16.619 0.036 -10.069) 19.431 18.287 ( -2.816 -1.376 -1.234) 3.368 18.358 ( -4.897 -0.754 -4.050) 6.399 18.442 ( -10.777 2.274 -3.717) 11.625 19.122 ( 0.595 0.473 8.571) 8.604 19.150 ( -0.573 -0.492 7.765) 7.801 19.739 ( 2.858 -0.030 -4.898) 5.671 19.835 ( -1.695 -0.138 -3.146) 3.577 21.770 ( 7.843 1.369 -3.567) 8.725 21.890 ( 8.080 -3.116 -8.825) 12.364 22.027 ( -0.389 2.179 -5.879) 6.282 22.228 ( 0.868 -1.918 -5.413) 5.808 22.262 ( 1.377 0.312 -3.917) 4.164 22.630 ( -9.019 0.198 -2.986) 9.503 22.933 ( 0.256 1.893 -1.787) 2.616 23.016 ( -3.489 -1.327 -1.727) 4.113 ======================= Grid point 126 (48/108) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -7.134 -10.717 4.269) 13.564 1.997 ( 7.134 -10.717 4.269) 13.564 2.547 ( -14.464 8.971 -2.360) 17.183 2.547 ( 14.464 8.971 -2.360) 17.183 2.930 ( -9.212 -4.004 4.022) 10.820 2.930 ( 9.212 -4.004 4.022) 10.820 3.475 ( -12.182 0.474 -15.836) 19.985 3.475 ( 12.182 0.474 -15.836) 19.985 4.306 ( -4.619 -3.422 -9.826) 11.384 4.306 ( 4.619 -3.422 -9.826) 11.384 4.836 ( -9.572 5.261 0.862) 10.956 4.836 ( 9.572 5.261 0.862) 10.956 5.085 ( -2.500 5.018 -3.342) 6.527 5.085 ( 2.500 5.018 -3.342) 6.527 5.234 ( -4.468 5.013 1.172) 6.817 5.234 ( 4.468 5.013 1.172) 6.817 5.458 ( -4.177 -4.441 4.876) 7.806 5.458 ( 4.177 -4.441 4.876) 7.806 5.756 ( -4.238 -1.885 -0.588) 4.675 5.756 ( 4.238 -1.885 -0.588) 4.675 6.202 ( -4.997 -9.435 2.010) 10.864 6.202 ( 4.997 -9.435 2.010) 10.864 6.652 ( -4.808 2.122 4.633) 7.006 6.652 ( 4.808 2.122 4.633) 7.006 6.946 ( -0.560 6.858 -4.058) 7.989 6.946 ( 0.560 6.858 -4.058) 7.989 7.624 ( -5.389 2.331 5.297) 7.908 7.624 ( 5.389 2.331 5.297) 7.908 7.885 ( -1.889 -3.828 5.927) 7.304 7.885 ( 1.889 -3.828 5.927) 7.304 8.158 ( -7.349 3.208 3.119) 8.604 8.158 ( 7.349 3.208 3.119) 8.604 8.470 ( -2.003 -5.051 -7.061) 8.910 8.470 ( 2.003 -5.051 -7.061) 8.910 8.956 ( -0.849 2.052 -3.522) 4.164 8.956 ( 0.849 2.052 -3.522) 4.164 9.341 ( -1.865 -1.044 6.515) 6.856 9.341 ( 1.865 -1.044 6.515) 6.856 10.260 ( -3.575 0.206 -19.437) 19.764 10.260 ( 3.575 0.206 -19.437) 19.764 11.030 ( -7.273 -0.757 7.438) 10.430 11.030 ( 7.273 -0.757 7.438) 10.430 11.478 ( -0.670 0.262 3.253) 3.331 11.478 ( 0.670 0.262 3.253) 3.331 12.740 ( -2.549 -0.352 5.373) 5.958 12.740 ( 2.549 -0.352 5.373) 5.958 13.097 ( -2.278 0.743 -2.120) 3.199 13.097 ( 2.278 0.743 -2.120) 3.199 15.028 ( -2.258 -0.150 10.850) 11.084 15.028 ( 2.258 -0.150 10.850) 11.084 15.722 ( -4.292 -1.267 16.776) 17.362 15.722 ( 4.292 -1.267 16.776) 17.362 15.960 ( -7.070 3.735 -0.315) 8.002 15.960 ( 7.070 3.735 -0.315) 8.002 16.252 ( -5.181 -2.169 1.741) 5.880 16.252 ( 5.181 -2.169 1.741) 5.880 18.142 ( -12.981 -0.527 -6.662) 14.601 18.142 ( 12.981 -0.527 -6.662) 14.601 18.319 ( -1.519 0.695 -3.431) 3.816 18.319 ( 1.519 0.695 -3.431) 3.816 19.136 ( -0.790 -0.067 8.141) 8.179 19.136 ( 0.790 -0.067 8.141) 8.179 19.792 ( -2.613 -0.076 -3.955) 4.741 19.792 ( 2.613 -0.076 -3.955) 4.741 21.900 ( -5.216 0.653 -4.226) 6.745 21.900 ( 5.216 0.653 -4.226) 6.745 22.104 ( -7.216 -1.685 -12.196) 14.271 22.104 ( 7.216 -1.685 -12.196) 14.271 22.442 ( -10.364 0.890 0.104) 10.403 22.442 ( 10.364 0.890 0.104) 10.403 22.958 ( -2.316 -0.016 -1.417) 2.715 22.958 ( 2.316 -0.016 -1.417) 2.715 ======================= Grid point 132 (49/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 -0.744 9.529) 9.558 1.300 ( 0.000 0.744 9.529) 9.558 1.858 ( 0.000 -11.032 20.210) 23.025 1.858 ( 0.000 11.032 20.210) 23.025 2.846 ( 0.000 -4.889 22.828) 23.345 2.846 ( 0.000 4.889 22.828) 23.345 3.047 ( 0.000 -0.006 12.429) 12.429 3.047 ( 0.000 0.006 12.429) 12.429 4.176 ( 0.000 -6.201 5.459) 8.262 4.176 ( 0.000 6.201 5.459) 8.262 4.761 ( 0.000 -1.342 -7.416) 7.537 4.761 ( 0.000 1.342 -7.416) 7.537 5.155 ( 0.000 -1.677 -4.610) 4.906 5.155 ( 0.000 1.677 -4.610) 4.906 5.208 ( 0.000 -6.922 4.746) 8.393 5.208 ( 0.000 6.922 4.746) 8.393 5.545 ( 0.000 -0.209 2.235) 2.245 5.545 ( 0.000 0.209 2.235) 2.245 6.027 ( 0.000 -2.011 -0.770) 2.153 6.027 ( 0.000 2.011 -0.770) 2.153 6.210 ( 0.000 -16.615 -4.090) 17.111 6.210 ( 0.000 16.615 -4.090) 17.111 6.741 ( 0.000 -0.864 -3.791) 3.888 6.741 ( 0.000 0.864 -3.791) 3.888 7.251 ( 0.000 -2.627 2.037) 3.324 7.251 ( 0.000 2.627 2.037) 3.324 7.653 ( 0.000 -1.930 -3.324) 3.844 7.653 ( 0.000 1.930 -3.324) 3.844 7.918 ( 0.000 -5.323 1.097) 5.434 7.918 ( 0.000 5.323 1.097) 5.434 7.977 ( 0.000 -16.276 3.101) 16.569 7.977 ( 0.000 16.276 3.101) 16.569 8.458 ( 0.000 -10.268 -8.019) 13.028 8.458 ( 0.000 10.268 -8.019) 13.028 8.686 ( 0.000 -1.606 -5.402) 5.635 8.686 ( 0.000 1.606 -5.402) 5.635 9.537 ( 0.000 -5.812 0.941) 5.888 9.537 ( 0.000 5.812 0.941) 5.888 10.233 ( 0.000 -0.523 -16.949) 16.957 10.233 ( 0.000 0.523 -16.949) 16.957 11.133 ( 0.000 -12.613 13.765) 18.670 11.133 ( 0.000 12.613 13.765) 18.670 11.599 ( 0.000 -8.790 5.561) 10.401 11.599 ( 0.000 8.790 5.561) 10.401 12.812 ( 0.000 -3.595 5.355) 6.449 12.812 ( 0.000 3.595 5.355) 6.449 13.539 ( 0.000 -2.129 -11.414) 11.611 13.539 ( 0.000 2.129 -11.414) 11.611 15.111 ( 0.000 -1.770 11.959) 12.090 15.111 ( 0.000 1.770 11.959) 12.090 15.807 ( 0.000 -1.663 1.691) 2.372 15.807 ( 0.000 1.663 1.691) 2.372 15.860 ( 0.000 -0.768 2.022) 2.163 15.860 ( 0.000 0.768 2.022) 2.163 16.776 ( 0.000 -13.288 -5.401) 14.344 16.776 ( 0.000 13.288 -5.401) 14.344 17.920 ( 0.000 -11.713 17.425) 20.996 17.920 ( 0.000 11.713 17.425) 20.996 18.966 ( 0.000 -0.781 -11.589) 11.616 18.966 ( 0.000 0.781 -11.589) 11.616 19.069 ( 0.000 -0.400 3.353) 3.376 19.069 ( 0.000 0.400 3.353) 3.376 19.717 ( 0.000 -0.419 -3.639) 3.663 19.717 ( 0.000 0.419 -3.639) 3.663 21.369 ( 0.000 -0.046 8.124) 8.125 21.369 ( 0.000 0.046 8.124) 8.125 21.675 ( 0.000 -6.550 7.409) 9.889 21.675 ( 0.000 6.550 7.409) 9.889 22.981 ( 0.000 -3.529 -8.116) 8.850 22.981 ( 0.000 3.529 -8.116) 8.850 23.019 ( 0.000 -4.791 -10.345) 11.401 23.019 ( 0.000 4.791 -10.345) 11.401 ======================= Grid point 134 (50/108) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 9.796 0.000 3.726) 10.481 1.457 ( 11.132 0.000 12.013) 16.377 1.846 ( -1.018 0.000 12.141) 12.184 1.853 ( 0.131 -0.000 24.989) 24.989 2.843 ( 1.908 0.000 18.370) 18.469 2.845 ( -1.537 0.000 4.372) 4.634 3.009 ( 4.278 0.000 28.002) 28.327 3.304 ( 16.511 0.000 12.083) 20.460 3.937 ( -9.450 0.000 -1.055) 9.509 4.452 ( 7.441 0.000 4.585) 8.740 4.606 ( 0.125 0.000 -2.586) 2.589 4.896 ( 2.775 0.000 -11.730) 12.054 5.124 ( -1.556 0.000 -5.423) 5.642 5.147 ( -1.968 -0.000 0.668) 2.078 5.235 ( 1.892 0.000 6.869) 7.125 5.281 ( 7.827 -0.000 -1.929) 8.061 5.351 ( -8.914 0.000 1.608) 9.058 5.722 ( 6.352 0.000 3.344) 7.178 5.961 ( -3.641 0.000 1.112) 3.807 6.039 ( -0.516 0.000 1.374) 1.468 6.153 ( -5.548 0.000 -3.679) 6.657 6.227 ( 1.700 0.000 -6.324) 6.548 6.625 ( -6.398 0.000 -3.366) 7.230 6.840 ( 4.437 0.000 -0.770) 4.503 7.084 ( -8.460 0.000 0.650) 8.485 7.334 ( -0.778 0.000 0.644) 1.010 7.632 ( -2.602 0.000 1.001) 2.788 7.660 ( 1.791 0.000 -3.436) 3.875 7.914 ( 0.562 0.000 -8.575) 8.593 7.954 ( 1.848 -0.000 2.343) 2.984 7.961 ( 0.180 0.000 7.126) 7.128 8.010 ( 1.932 0.000 1.397) 2.384 8.444 ( 0.779 0.000 -1.860) 2.017 8.504 ( 2.536 -0.000 -10.234) 10.544 8.721 ( 3.433 0.000 -4.516) 5.672 8.724 ( 3.590 -0.000 -5.181) 6.303 9.470 ( -5.640 0.000 1.612) 5.866 9.524 ( -2.030 -0.000 1.257) 2.388 10.160 ( -3.066 0.000 -19.080) 19.325 10.306 ( 3.149 0.000 -15.657) 15.971 11.005 ( -6.972 0.000 15.981) 17.436 11.203 ( 2.040 -0.000 10.974) 11.162 11.492 ( -3.675 0.000 4.978) 6.187 11.709 ( 3.277 0.000 4.052) 5.211 12.795 ( -1.590 -0.000 3.692) 4.020 12.816 ( 0.257 0.000 7.447) 7.451 13.464 ( -6.783 0.000 -8.709) 11.039 13.485 ( -5.520 -0.000 -9.652) 11.119 15.047 ( -3.456 0.000 13.106) 13.554 15.144 ( 0.641 0.000 10.840) 10.859 15.657 ( -6.375 0.000 6.429) 9.054 15.793 ( -0.286 0.000 0.640) 0.701 15.866 ( 3.475 0.000 1.957) 3.988 16.117 ( 10.059 0.000 3.467) 10.639 16.721 ( -2.133 0.000 -9.769) 9.999 16.782 ( -2.528 -0.000 -3.718) 4.496 17.403 ( -24.914 0.000 19.661) 31.737 18.244 ( 9.879 0.000 11.112) 14.868 18.769 ( -9.871 -0.000 -8.638) 13.117 18.985 ( -3.677 0.000 -1.373) 3.925 19.097 ( 1.604 0.000 4.672) 4.940 19.162 ( 4.474 0.000 -3.341) 5.584 19.658 ( -1.959 0.000 -3.858) 4.327 19.787 ( 3.257 0.000 -3.353) 4.675 21.357 ( 2.002 0.000 5.724) 6.064 21.406 ( 2.802 0.000 4.435) 5.246 21.715 ( 6.361 -0.000 6.900) 9.385 21.799 ( 8.074 0.000 5.599) 9.825 22.809 ( -11.410 0.000 -12.107) 16.637 22.931 ( -3.473 0.000 -7.079) 7.885 23.014 ( 0.581 0.000 -6.364) 6.391 23.134 ( 3.058 0.000 -8.594) 9.121 ======================= Grid point 136 (51/108) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 18.882 -0.000 1.704) 18.959 1.674 ( 10.450 0.000 12.327) 16.161 1.834 ( 0.865 -0.000 0.613) 1.060 1.901 ( 5.687 0.000 20.943) 21.701 2.867 ( 4.402 0.000 -2.232) 4.935 2.902 ( 3.688 0.000 9.611) 10.295 3.093 ( 2.898 0.000 24.775) 24.944 3.642 ( 16.642 0.000 15.009) 22.411 3.828 ( -0.910 0.000 -10.573) 10.613 4.379 ( -6.034 0.000 -7.620) 9.720 4.826 ( 12.911 0.000 7.743) 15.055 4.877 ( -3.795 -0.000 -13.566) 14.087 5.095 ( -3.281 0.000 -1.830) 3.757 5.101 ( -0.536 -0.000 -3.829) 3.867 5.223 ( -3.989 0.000 1.610) 4.302 5.276 ( 2.327 0.000 7.687) 8.031 5.450 ( 7.930 0.000 -5.537) 9.672 5.720 ( -5.914 0.000 4.193) 7.250 5.908 ( -1.596 0.000 8.516) 8.665 6.002 ( -9.453 0.000 -6.268) 11.342 6.082 ( 4.210 -0.000 0.085) 4.211 6.260 ( 0.514 -0.000 -4.278) 4.309 6.515 ( -3.551 0.000 -1.281) 3.775 6.898 ( 1.139 0.000 6.442) 6.542 6.935 ( -7.018 0.000 -0.110) 7.019 7.260 ( -4.928 0.000 -7.594) 9.053 7.575 ( -2.528 0.000 0.308) 2.547 7.694 ( 1.214 -0.000 2.935) 3.177 7.862 ( -4.808 -0.000 4.465) 6.562 7.976 ( 0.293 0.000 1.276) 1.309 8.043 ( 1.449 0.000 3.203) 3.515 8.054 ( 7.576 -0.000 -12.169) 14.334 8.473 ( 1.204 0.000 5.380) 5.514 8.542 ( 0.928 -0.000 -7.159) 7.219 8.799 ( 4.287 0.000 -4.691) 6.355 8.811 ( 5.231 -0.000 -4.669) 7.011 9.349 ( -5.811 0.000 1.707) 6.057 9.474 ( -2.868 0.000 2.632) 3.892 10.128 ( -0.220 0.000 -21.197) 21.198 10.348 ( 1.163 0.000 -15.753) 15.796 10.899 ( -3.637 0.000 14.866) 15.305 11.223 ( 0.356 0.000 9.336) 9.343 11.457 ( -0.331 0.000 4.444) 4.456 11.697 ( -4.484 0.000 1.973) 4.899 12.752 ( -2.669 -0.000 2.863) 3.914 12.825 ( 0.551 0.000 9.059) 9.076 13.314 ( -7.946 0.000 -4.539) 9.151 13.359 ( -6.899 -0.000 -5.866) 9.056 14.995 ( -1.772 0.000 12.939) 13.060 15.141 ( -0.850 0.000 10.453) 10.487 15.590 ( -1.280 0.000 9.530) 9.615 15.796 ( 0.409 0.000 -0.682) 0.795 15.947 ( 4.852 0.000 2.592) 5.501 16.149 ( -5.624 0.000 15.085) 16.099 16.606 ( -12.025 0.000 -2.019) 12.193 16.672 ( -8.700 -0.000 -2.765) 9.129 17.225 ( 8.568 0.000 -0.572) 8.587 18.340 ( 1.218 0.000 5.262) 5.402 18.594 ( -8.358 -0.000 -5.900) 10.231 18.875 ( -8.025 0.000 -1.848) 8.235 19.123 ( 1.099 0.000 5.558) 5.666 19.173 ( -1.826 0.000 6.791) 7.032 19.652 ( 1.093 0.000 -5.325) 5.436 19.836 ( 1.713 0.000 -2.849) 3.324 21.469 ( 9.139 0.000 -2.119) 9.381 21.491 ( 6.077 0.000 0.800) 6.130 21.873 ( 9.298 -0.000 6.160) 11.153 21.939 ( 6.004 0.000 1.456) 6.178 22.594 ( -10.781 0.000 -11.670) 15.888 22.855 ( -4.408 0.000 -6.558) 7.901 23.013 ( -0.616 0.000 -5.469) 5.504 23.136 ( -2.439 0.000 -4.651) 5.252 ======================= Grid point 138 (52/108) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 1.149 0.000 8.423) 8.501 1.831 ( 5.639 -0.000 11.422) 12.739 2.079 ( 12.604 -0.000 11.753) 17.234 2.112 ( 23.454 0.000 -14.651) 27.654 2.966 ( 2.487 0.000 2.742) 3.702 3.002 ( 7.932 0.000 -3.100) 8.516 3.094 ( -2.059 0.000 12.764) 12.929 3.741 ( -1.503 0.000 -5.460) 5.663 4.042 ( 16.202 0.000 0.736) 16.219 4.289 ( -3.247 0.000 -9.105) 9.667 4.784 ( -4.906 0.000 -11.482) 12.487 5.000 ( 4.528 -0.000 5.353) 7.011 5.048 ( -0.718 0.000 -3.162) 3.243 5.115 ( 2.149 -0.000 -0.894) 2.328 5.191 ( 0.264 0.000 0.489) 0.556 5.320 ( 2.141 0.000 8.687) 8.947 5.542 ( 1.251 0.000 -5.636) 5.773 5.574 ( -8.087 0.000 3.601) 8.853 5.790 ( -9.626 0.000 0.051) 9.626 5.944 ( 3.111 0.000 4.730) 5.661 6.067 ( -7.423 0.000 -3.185) 8.078 6.238 ( -1.447 -0.000 -0.003) 1.447 6.546 ( 4.922 0.000 -2.429) 5.489 6.833 ( -2.118 0.000 2.041) 2.941 6.866 ( -4.337 0.000 11.587) 12.372 7.189 ( -2.464 0.000 -11.604) 11.863 7.556 ( 0.752 0.000 -0.484) 0.894 7.710 ( 0.631 0.000 3.508) 3.564 7.773 ( -3.696 -0.000 7.412) 8.282 7.965 ( -1.399 0.000 1.812) 2.289 8.067 ( 1.266 0.000 4.592) 4.764 8.190 ( 5.856 -0.000 -13.738) 14.934 8.459 ( -2.712 0.000 9.621) 9.996 8.528 ( -2.295 -0.000 -4.155) 4.747 8.879 ( 3.980 0.000 -5.088) 6.460 8.909 ( 4.504 -0.000 -4.537) 6.393 9.280 ( -1.163 0.000 1.835) 2.172 9.420 ( -2.709 0.000 4.646) 5.378 10.149 ( 2.217 0.000 -21.720) 21.833 10.351 ( -0.832 0.000 -17.340) 17.360 10.869 ( 0.385 0.000 12.733) 12.739 11.217 ( -1.335 0.000 7.937) 8.049 11.467 ( 1.046 0.000 3.984) 4.119 11.573 ( -6.979 0.000 1.680) 7.179 12.706 ( -1.797 0.000 3.133) 3.612 12.827 ( -0.647 0.000 9.200) 9.223 13.184 ( -5.324 0.000 -2.526) 5.893 13.238 ( -5.534 -0.000 -3.628) 6.618 14.978 ( -0.018 0.000 12.021) 12.021 15.114 ( -1.847 0.000 10.585) 10.745 15.592 ( 1.292 0.000 12.085) 12.153 15.809 ( 1.127 0.000 -2.473) 2.718 15.991 ( -8.946 0.000 21.622) 23.399 16.045 ( 5.206 0.000 3.361) 6.197 16.396 ( -8.096 0.000 1.167) 8.180 16.465 ( -12.353 -0.000 -2.427) 12.589 17.518 ( 17.991 0.000 -10.509) 20.835 18.324 ( -2.202 0.000 1.464) 2.644 18.450 ( -6.529 -0.000 -4.774) 8.088 18.686 ( -11.141 0.000 -1.957) 11.312 19.138 ( 0.447 -0.000 6.425) 6.441 19.141 ( -1.098 0.000 9.721) 9.782 19.687 ( 2.405 0.000 -5.573) 6.070 19.851 ( -0.122 0.000 -2.721) 2.723 21.631 ( 8.322 0.000 -2.244) 8.619 21.668 ( 10.655 0.000 -7.013) 12.756 22.024 ( 2.868 -0.000 -2.720) 3.953 22.054 ( 9.400 0.000 5.050) 10.671 22.399 ( -9.510 0.000 -11.166) 14.668 22.761 ( -5.527 0.000 -5.689) 7.931 22.994 ( -1.298 0.000 -4.265) 4.459 23.063 ( -4.545 0.000 -1.577) 4.811 ======================= Grid point 140 (53/108) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.012 0.000 5.125) 5.506 1.890 ( 0.783 -0.000 8.819) 8.854 2.361 ( 16.076 -0.000 5.111) 16.869 2.546 ( 20.366 0.000 -12.724) 24.014 2.928 ( -10.827 -0.000 8.964) 14.056 2.976 ( -2.115 0.000 -1.743) 2.741 3.239 ( 12.314 0.000 -11.208) 16.650 3.666 ( -6.757 0.000 -12.865) 14.531 4.255 ( -0.396 -0.000 -9.320) 9.328 4.261 ( 4.864 0.000 -5.999) 7.723 4.756 ( 3.987 0.000 -2.976) 4.975 5.013 ( -2.586 -0.000 2.937) 3.913 5.083 ( 3.924 0.000 -2.264) 4.530 5.159 ( 1.568 -0.000 0.822) 1.771 5.224 ( 3.006 0.000 0.690) 3.084 5.350 ( 0.826 0.000 9.029) 9.067 5.432 ( -6.371 0.000 2.111) 6.712 5.495 ( -5.492 0.000 0.055) 5.492 5.672 ( -1.534 0.000 -2.613) 3.030 5.876 ( -10.512 0.000 -4.418) 11.403 6.020 ( 4.155 0.000 4.239) 5.936 6.185 ( -4.231 0.000 2.345) 4.837 6.605 ( 1.819 0.000 -4.624) 4.969 6.760 ( -5.906 0.000 7.900) 9.863 6.900 ( 7.423 0.000 3.955) 8.411 7.138 ( -3.626 0.000 -6.300) 7.269 7.598 ( 3.169 0.000 1.404) 3.466 7.702 ( -1.705 0.000 6.044) 6.280 7.757 ( 2.300 0.000 3.400) 4.105 7.917 ( -3.727 0.000 2.172) 4.314 8.109 ( 3.501 0.000 5.287) 6.341 8.260 ( 0.630 0.000 -6.919) 6.947 8.394 ( -2.559 0.000 4.902) 5.530 8.467 ( -3.638 0.000 -3.884) 5.322 8.946 ( 2.803 0.000 -4.656) 5.435 8.971 ( 1.833 -0.000 -4.026) 4.424 9.290 ( 1.630 0.000 4.373) 4.667 9.371 ( -2.412 0.000 6.351) 6.794 10.202 ( 3.082 0.000 -20.637) 20.866 10.318 ( -2.466 0.000 -18.669) 18.831 10.913 ( 4.150 0.000 9.959) 10.789 11.149 ( -5.883 -0.000 6.826) 9.012 11.484 ( -1.743 0.000 2.391) 2.959 11.484 ( 0.451 -0.000 3.400) 3.430 12.695 ( 0.858 0.000 4.299) 4.384 12.794 ( -2.694 0.000 7.988) 8.430 13.114 ( -1.945 0.000 -2.450) 3.129 13.151 ( -3.516 -0.000 -2.970) 4.603 14.991 ( 1.310 0.000 11.245) 11.322 15.072 ( -2.438 0.000 10.768) 11.041 15.634 ( 3.018 0.000 14.443) 14.755 15.808 ( -4.595 0.000 11.982) 12.833 15.889 ( 2.256 0.000 5.243) 5.707 16.138 ( 3.877 0.000 4.903) 6.250 16.225 ( -11.657 0.000 -3.427) 12.150 16.288 ( -3.977 -0.000 2.454) 4.673 17.854 ( 16.530 0.000 -10.006) 19.322 18.271 ( -3.433 0.000 -1.135) 3.616 18.351 ( -3.573 -0.000 -4.140) 5.469 18.467 ( -11.164 0.000 -3.918) 11.831 19.131 ( -0.017 -0.000 9.165) 9.166 19.141 ( -0.131 0.000 7.286) 7.287 19.738 ( 2.834 0.000 -4.891) 5.653 19.833 ( -1.649 0.000 -3.118) 3.528 21.796 ( 8.355 0.000 -4.202) 9.352 21.845 ( 7.044 0.000 -7.551) 10.327 22.054 ( 0.617 0.000 -6.773) 6.802 22.199 ( -2.739 0.000 -7.237) 7.738 22.268 ( 4.512 0.000 -0.892) 4.600 22.633 ( -8.126 0.000 -3.844) 8.990 22.969 ( -1.132 0.000 -2.848) 3.065 22.987 ( -2.882 -0.000 -0.546) 2.933 ======================= Grid point 142 (54/108) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -1.818 0.000 6.028) 6.296 1.876 ( 1.818 0.000 6.028) 6.296 2.667 ( -15.094 -0.000 2.572) 15.312 2.667 ( 15.094 -0.000 2.572) 15.312 2.856 ( -10.842 0.000 -5.109) 11.985 2.856 ( 10.842 0.000 -5.109) 11.985 3.480 ( -12.061 0.000 -14.765) 19.064 3.480 ( 12.061 0.000 -14.765) 19.064 4.269 ( -1.490 0.000 -9.787) 9.900 4.269 ( 1.490 0.000 -9.787) 9.900 4.903 ( -8.466 0.000 2.288) 8.770 4.903 ( 8.466 0.000 2.288) 8.770 5.155 ( -2.360 -0.000 -0.246) 2.372 5.155 ( 2.360 -0.000 -0.246) 2.372 5.302 ( -4.989 -0.000 1.787) 5.300 5.302 ( 4.989 -0.000 1.787) 5.300 5.401 ( -3.126 0.000 4.734) 5.673 5.401 ( 3.126 0.000 4.734) 5.673 5.714 ( -5.604 -0.000 -3.753) 6.744 5.714 ( 5.604 0.000 -3.753) 6.744 6.099 ( -4.305 0.000 2.869) 5.173 6.099 ( 4.305 0.000 2.869) 5.173 6.660 ( -4.197 0.000 1.472) 4.447 6.660 ( 4.197 0.000 1.472) 4.447 7.041 ( -6.463 -0.000 -0.390) 6.475 7.041 ( 6.463 0.000 -0.390) 6.475 7.659 ( -2.833 0.000 4.350) 5.191 7.659 ( 2.833 0.000 4.350) 5.191 7.831 ( -4.783 0.000 2.117) 5.231 7.831 ( 4.783 -0.000 2.117) 5.231 8.199 ( -5.310 0.000 4.175) 6.754 8.199 ( 5.310 0.000 4.175) 6.754 8.404 ( -2.634 0.000 -4.216) 4.971 8.404 ( 2.634 0.000 -4.216) 4.971 8.981 ( -0.750 0.000 -4.043) 4.112 8.981 ( 0.750 0.000 -4.043) 4.112 9.328 ( -2.148 0.000 6.502) 6.847 9.328 ( 2.148 0.000 6.502) 6.847 10.263 ( -3.158 0.000 -19.452) 19.706 10.263 ( 3.158 0.000 -19.452) 19.706 11.020 ( -6.726 0.000 7.466) 10.049 11.020 ( 6.726 -0.000 7.466) 10.049 11.481 ( -0.550 0.000 2.891) 2.943 11.481 ( 0.550 0.000 2.891) 2.943 12.735 ( -3.004 0.000 6.061) 6.765 12.735 ( 3.004 0.000 6.061) 6.765 13.106 ( -1.060 0.000 -2.735) 2.933 13.106 ( 1.060 -0.000 -2.735) 2.933 15.026 ( -2.226 0.000 10.877) 11.102 15.026 ( 2.226 0.000 10.877) 11.102 15.708 ( -4.671 0.000 16.392) 17.044 15.708 ( 4.671 0.000 16.392) 17.044 16.010 ( -9.057 0.000 -1.355) 9.157 16.010 ( 9.057 0.000 -1.355) 9.158 16.220 ( -3.479 0.000 3.040) 4.620 16.220 ( 3.479 -0.000 3.040) 4.620 18.136 ( -12.057 0.000 -6.248) 13.580 18.136 ( 12.057 0.000 -6.248) 13.580 18.327 ( -1.854 0.000 -3.877) 4.297 18.327 ( 1.854 0.000 -3.877) 4.297 19.136 ( -0.351 0.000 8.201) 8.208 19.136 ( 0.351 0.000 8.201) 8.208 19.791 ( -2.578 0.000 -3.933) 4.702 19.791 ( 2.578 0.000 -3.933) 4.702 21.909 ( -1.505 0.000 -4.712) 4.946 21.909 ( 1.505 0.000 -4.712) 4.946 22.082 ( -4.098 0.000 -10.965) 11.706 22.082 ( 4.098 0.000 -10.965) 11.706 22.453 ( -10.327 0.000 -0.582) 10.344 22.453 ( 10.327 0.000 -0.582) 10.344 22.958 ( -0.252 0.000 -1.410) 1.432 22.958 ( 0.252 0.000 -1.410) 1.432 ======================= Grid point 165 (55/108) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 0.000 18.092) 18.092 1.923 ( 0.000 0.000 28.898) 28.898 2.103 ( 0.000 0.000 14.305) 14.305 2.402 ( 0.000 0.000 -9.815) 9.815 2.869 ( 0.000 0.000 7.304) 7.304 3.134 ( 0.000 0.000 7.342) 7.342 3.281 ( 0.000 0.000 24.306) 24.306 3.351 ( 0.000 0.000 27.731) 27.731 4.128 ( 0.000 0.000 -2.715) 2.715 4.389 ( 0.000 0.000 -6.127) 6.127 4.645 ( 0.000 0.000 -11.093) 11.093 4.786 ( 0.000 0.000 8.711) 8.711 4.873 ( 0.000 0.000 4.291) 4.291 5.069 ( 0.000 0.000 8.070) 8.070 5.290 ( 0.000 0.000 7.959) 7.959 5.376 ( 0.000 0.000 -9.677) 9.677 5.443 ( 0.000 0.000 6.027) 6.027 5.886 ( 0.000 0.000 4.345) 4.345 5.929 ( 0.000 0.000 -5.451) 5.451 6.136 ( 0.000 0.000 1.214) 1.214 6.246 ( 0.000 0.000 5.310) 5.310 6.467 ( 0.000 0.000 -10.577) 10.577 6.570 ( 0.000 0.000 -7.334) 7.334 6.675 ( 0.000 0.000 -3.587) 3.587 7.011 ( 0.000 0.000 8.158) 8.158 7.169 ( 0.000 0.000 -9.014) 9.014 7.378 ( 0.000 0.000 6.788) 6.788 7.703 ( 0.000 0.000 1.324) 1.324 7.792 ( 0.000 0.000 1.859) 1.859 7.844 ( 0.000 0.000 -0.932) 0.932 8.055 ( 0.000 0.000 -7.155) 7.155 8.104 ( 0.000 0.000 6.445) 6.445 8.370 ( 0.000 0.000 -16.491) 16.491 8.478 ( 0.000 0.000 0.599) 0.599 8.480 ( 0.000 0.000 -10.178) 10.178 8.555 ( 0.000 0.000 -13.668) 13.668 9.440 ( 0.000 0.000 3.349) 3.349 9.661 ( 0.000 0.000 -0.639) 0.639 9.882 ( 0.000 0.000 -13.129) 13.129 9.936 ( 0.000 0.000 -14.515) 14.515 11.158 ( 0.000 0.000 14.436) 14.436 11.486 ( 0.000 0.000 1.000) 1.000 11.503 ( 0.000 0.000 3.629) 3.629 11.835 ( 0.000 0.000 -8.495) 8.495 13.027 ( 0.000 0.000 0.552) 0.552 13.155 ( 0.000 0.000 -7.387) 7.387 13.181 ( 0.000 0.000 4.692) 4.692 13.285 ( 0.000 0.000 5.974) 5.974 15.441 ( 0.000 0.000 3.257) 3.257 15.464 ( 0.000 0.000 17.256) 17.256 15.763 ( 0.000 0.000 -0.402) 0.402 15.873 ( 0.000 0.000 0.957) 0.957 15.910 ( 0.000 0.000 4.721) 4.721 15.937 ( 0.000 0.000 3.739) 3.739 16.164 ( 0.000 0.000 -4.085) 4.085 16.953 ( 0.000 0.000 -7.592) 7.592 17.929 ( 0.000 0.000 14.887) 14.887 18.531 ( 0.000 0.000 2.743) 2.743 18.756 ( 0.000 0.000 -11.024) 11.024 18.772 ( 0.000 0.000 -2.657) 2.657 19.158 ( 0.000 0.000 3.683) 3.683 19.182 ( 0.000 0.000 5.270) 5.270 19.580 ( 0.000 0.000 -5.320) 5.320 19.654 ( 0.000 0.000 -4.984) 4.984 21.541 ( 0.000 0.000 8.857) 8.857 21.546 ( 0.000 0.000 9.902) 9.902 21.663 ( 0.000 0.000 4.202) 4.202 22.266 ( 0.000 0.000 -5.238) 5.238 22.321 ( 0.000 0.000 3.150) 3.150 22.800 ( 0.000 0.000 -7.958) 7.958 22.907 ( 0.000 0.000 -7.851) 7.851 22.911 ( 0.000 0.000 -8.218) 8.218 ======================= Grid point 166 (56/108) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.420 0.000 19.532) 19.536 1.898 ( -2.409 0.000 24.863) 24.980 2.179 ( 7.349 0.000 12.697) 14.671 2.412 ( 1.024 0.000 -7.075) 7.149 2.735 ( -6.550 0.000 4.245) 7.805 3.085 ( -10.939 0.000 27.389) 29.493 3.398 ( 19.871 0.000 8.118) 21.465 3.462 ( 2.732 0.000 11.349) 11.673 4.141 ( 1.134 0.000 4.676) 4.811 4.211 ( -14.751 0.000 -5.391) 15.705 4.606 ( -3.559 0.000 -7.263) 8.088 4.878 ( 0.608 0.000 -1.774) 1.875 4.889 ( 6.903 0.000 4.068) 8.012 5.119 ( 4.909 0.000 7.721) 9.150 5.246 ( -4.020 0.000 5.898) 7.137 5.378 ( 0.397 0.000 -6.492) 6.504 5.453 ( -0.239 0.000 5.731) 5.736 5.894 ( 0.288 0.000 6.087) 6.094 5.904 ( -1.559 0.000 -4.391) 4.660 6.123 ( -1.342 0.000 0.504) 1.433 6.245 ( -0.329 0.000 5.989) 5.998 6.446 ( -2.190 0.000 -12.052) 12.249 6.521 ( -4.018 0.000 -7.098) 8.156 6.663 ( -1.753 0.000 -1.358) 2.217 7.070 ( 5.295 0.000 8.398) 9.928 7.177 ( 1.211 0.000 -9.443) 9.520 7.395 ( 2.045 0.000 6.563) 6.874 7.548 ( -10.911 0.000 2.262) 11.143 7.836 ( 4.888 0.000 -2.572) 5.523 7.933 ( 2.836 0.000 3.048) 4.163 8.050 ( -0.428 0.000 -6.451) 6.465 8.120 ( 3.000 0.000 3.509) 4.617 8.412 ( 0.716 0.000 -6.696) 6.734 8.476 ( 2.283 0.000 -6.376) 6.772 8.523 ( 3.940 0.000 -10.320) 11.046 8.585 ( 3.114 0.000 -12.969) 13.338 9.419 ( -2.004 0.000 3.856) 4.345 9.634 ( -2.647 0.000 0.011) 2.647 9.799 ( -4.806 0.000 -13.443) 14.276 10.006 ( 3.663 0.000 -14.683) 15.133 11.138 ( -1.802 0.000 14.606) 14.716 11.478 ( -0.341 0.000 1.629) 1.665 11.513 ( 0.592 0.000 3.128) 3.184 11.781 ( -5.363 0.000 -6.325) 8.292 13.004 ( -1.969 0.000 0.603) 2.059 13.105 ( -4.945 0.000 -6.267) 7.983 13.193 ( 0.936 0.000 3.566) 3.687 13.259 ( -2.702 0.000 5.882) 6.473 15.383 ( -4.714 0.000 8.209) 9.466 15.448 ( -1.861 0.000 13.763) 13.888 15.747 ( -1.410 0.000 -1.142) 1.814 15.837 ( -1.224 0.000 7.001) 7.107 15.909 ( 3.411 0.000 1.064) 3.573 16.149 ( 13.938 0.000 -0.424) 13.944 16.154 ( -0.793 0.000 -2.869) 2.977 16.899 ( -5.536 0.000 -7.519) 9.337 17.706 ( -18.081 0.000 17.844) 25.403 18.510 ( -2.191 0.000 2.557) 3.367 18.700 ( -5.420 0.000 -9.720) 11.129 18.829 ( 1.588 0.000 -1.354) 2.087 19.173 ( 2.540 0.000 3.528) 4.347 19.217 ( 2.793 0.000 5.007) 5.733 19.546 ( -1.731 0.000 -5.585) 5.847 19.706 ( 3.572 0.000 -5.014) 6.156 21.507 ( -2.360 0.000 8.111) 8.448 21.521 ( -0.906 0.000 7.347) 7.403 21.743 ( 6.489 0.000 4.802) 8.072 22.245 ( -2.230 0.000 -8.028) 8.331 22.299 ( -2.203 0.000 2.816) 3.575 22.801 ( 0.193 0.000 -7.260) 7.262 22.891 ( -2.056 0.000 -7.332) 7.615 22.950 ( 3.495 0.000 -7.428) 8.209 ======================= Grid point 167 (57/108) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 2.265 0.000 18.804) 18.940 1.852 ( -1.486 0.000 15.113) 15.186 2.350 ( 9.483 0.000 9.219) 13.226 2.442 ( 1.927 0.000 -3.365) 3.878 2.684 ( 0.896 0.000 1.639) 1.868 2.934 ( -4.203 0.000 19.755) 20.198 3.435 ( -4.714 0.000 -1.744) 5.026 3.786 ( 16.189 0.000 7.878) 18.004 3.913 ( -11.941 0.000 -10.444) 15.864 4.151 ( -0.469 0.000 8.678) 8.691 4.525 ( -4.728 0.000 -5.047) 6.915 4.908 ( 2.399 0.000 -3.856) 4.541 4.972 ( 1.169 0.000 -1.454) 1.866 5.170 ( -3.009 0.000 2.642) 4.004 5.226 ( 4.994 0.000 7.513) 9.022 5.395 ( 1.025 0.000 0.258) 1.056 5.398 ( -4.864 0.000 1.047) 4.975 5.866 ( -3.568 0.000 5.965) 6.950 5.892 ( -0.382 0.000 -2.295) 2.327 6.083 ( -3.479 0.000 -1.536) 3.803 6.232 ( -0.588 0.000 7.123) 7.147 6.377 ( -2.923 0.000 -13.911) 14.215 6.492 ( 1.202 0.000 -2.485) 2.760 6.602 ( -3.908 0.000 5.176) 6.486 7.167 ( 3.407 0.000 7.546) 8.280 7.231 ( 4.523 0.000 -9.864) 10.851 7.335 ( -10.874 0.000 4.972) 11.957 7.476 ( 6.696 0.000 5.019) 8.368 7.924 ( -1.777 0.000 6.080) 6.334 7.963 ( 7.019 0.000 -8.433) 10.972 8.041 ( -0.221 0.000 -3.908) 3.914 8.204 ( 3.880 0.000 2.348) 4.535 8.355 ( -4.584 0.000 -3.306) 5.652 8.567 ( 4.465 0.000 -6.401) 7.805 8.604 ( 4.263 0.000 -12.082) 12.813 8.674 ( 5.698 0.000 -9.583) 11.149 9.373 ( -2.348 0.000 4.562) 5.131 9.575 ( -3.111 0.000 1.508) 3.457 9.735 ( -1.489 0.000 -13.961) 14.040 10.050 ( 0.711 0.000 -15.434) 15.451 11.106 ( -1.070 0.000 14.533) 14.573 11.480 ( 0.575 0.000 1.941) 2.024 11.520 ( 0.086 0.000 2.876) 2.877 11.644 ( -8.454 0.000 -1.884) 8.661 12.969 ( -1.450 0.000 -0.158) 1.459 12.983 ( -7.122 0.000 -3.477) 7.926 13.182 ( -5.277 0.000 5.342) 7.509 13.202 ( -0.239 0.000 1.540) 1.558 15.296 ( -3.886 0.000 10.581) 11.272 15.398 ( -3.167 0.000 11.839) 12.255 15.717 ( -1.498 0.000 -2.619) 3.017 15.848 ( 1.981 0.000 9.294) 9.503 15.992 ( 4.975 0.000 0.933) 5.062 16.142 ( -0.346 0.000 0.030) 0.347 16.387 ( 8.387 0.000 0.705) 8.416 16.751 ( -9.548 0.000 -6.801) 11.722 17.414 ( -8.817 0.000 17.043) 19.189 18.445 ( -4.602 0.000 0.574) 4.637 18.570 ( -7.488 0.000 -5.896) 9.531 18.773 ( -6.744 0.000 -0.073) 6.745 19.225 ( 2.146 0.000 5.796) 6.181 19.277 ( 2.782 0.000 4.419) 5.222 19.536 ( 0.740 0.000 -5.976) 6.022 19.763 ( 2.078 0.000 -4.863) 5.288 21.500 ( 2.269 0.000 3.589) 4.246 21.534 ( 2.204 0.000 4.091) 4.647 21.870 ( 6.077 0.000 2.203) 6.464 22.185 ( -3.861 0.000 -11.281) 11.923 22.250 ( -2.317 0.000 3.073) 3.848 22.808 ( 0.494 0.000 -6.079) 6.099 22.832 ( -4.172 0.000 -5.182) 6.652 23.004 ( 1.507 0.000 -6.634) 6.803 ======================= Grid point 168 (58/108) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 8.509 0.000 10.238) 13.312 1.872 ( 4.026 0.000 5.708) 6.985 2.460 ( -1.077 0.000 -0.677) 1.272 2.502 ( 5.197 0.000 4.125) 6.635 2.757 ( 6.603 0.000 -1.743) 6.830 2.924 ( 2.668 0.000 11.498) 11.803 3.314 ( -7.017 0.000 -5.056) 8.649 3.583 ( -14.948 0.000 -13.669) 20.255 4.134 ( -0.677 0.000 4.807) 4.855 4.187 ( 18.034 0.000 1.548) 18.100 4.427 ( -5.501 0.000 -5.704) 7.924 4.945 ( -3.130 0.000 -4.706) 5.652 4.946 ( 1.011 0.000 -1.531) 1.835 5.147 ( 0.371 0.000 1.329) 1.380 5.204 ( -7.136 0.000 1.978) 7.405 5.388 ( -2.415 0.000 4.650) 5.240 5.389 ( 4.465 0.000 2.373) 5.057 5.778 ( -4.681 0.000 2.063) 5.116 5.841 ( -5.414 0.000 -1.028) 5.511 5.973 ( -7.092 0.000 -5.709) 9.104 6.251 ( 3.055 0.000 6.527) 7.207 6.403 ( 5.352 0.000 -7.583) 9.282 6.544 ( -2.054 0.000 10.788) 10.982 6.546 ( 4.253 0.000 2.156) 4.768 7.109 ( -9.618 0.000 4.820) 10.758 7.188 ( -4.768 0.000 8.140) 9.434 7.346 ( 7.214 0.000 -7.005) 10.055 7.640 ( 9.669 0.000 2.340) 9.948 7.917 ( 1.613 0.000 5.769) 5.990 7.988 ( -2.957 0.000 -0.925) 3.098 8.109 ( 4.611 0.000 -10.170) 11.167 8.233 ( -0.987 0.000 3.432) 3.571 8.275 ( -2.706 0.000 -8.221) 8.655 8.600 ( -1.589 0.000 -0.402) 1.639 8.691 ( 4.797 0.000 -11.449) 12.414 8.777 ( 4.541 0.000 -6.688) 8.084 9.353 ( 0.726 0.000 3.728) 3.798 9.527 ( -1.785 0.000 3.137) 3.609 9.745 ( 2.337 0.000 -14.705) 14.890 10.034 ( -2.210 0.000 -16.015) 16.166 11.103 ( 0.785 0.000 13.615) 13.638 11.476 ( -8.684 0.000 2.248) 8.970 11.497 ( 1.053 0.000 2.217) 2.455 11.521 ( 0.136 0.000 2.096) 2.100 12.856 ( -5.539 0.000 -0.441) 5.556 12.957 ( 0.322 0.000 -1.483) 1.517 13.062 ( -7.046 0.000 4.415) 8.315 13.179 ( -2.208 0.000 -0.501) 2.264 15.240 ( -1.997 0.000 10.759) 10.943 15.334 ( -3.389 0.000 10.347) 10.888 15.704 ( 0.485 0.000 -3.696) 3.727 15.905 ( 3.877 0.000 12.152) 12.756 16.076 ( 1.809 0.000 -1.204) 2.173 16.146 ( 1.873 0.000 3.627) 4.082 16.408 ( -5.287 0.000 12.750) 13.803 16.558 ( -9.698 0.000 -4.264) 10.594 17.441 ( 10.391 0.000 4.271) 11.235 18.344 ( -5.367 0.000 -3.331) 6.317 18.432 ( -6.672 0.000 -1.326) 6.803 18.594 ( -11.551 0.000 -0.538) 11.564 19.256 ( 1.213 0.000 6.999) 7.103 19.308 ( 0.599 0.000 5.990) 6.020 19.572 ( 2.803 0.000 -5.808) 6.449 19.781 ( -0.145 0.000 -4.587) 4.589 21.591 ( 6.740 0.000 -2.675) 7.251 21.600 ( 4.550 0.000 0.627) 4.593 21.941 ( 0.550 0.000 -3.428) 3.471 22.101 ( -4.834 0.000 -12.403) 13.312 22.242 ( 2.321 0.000 5.651) 6.109 22.733 ( -5.992 0.000 -2.564) 6.517 22.822 ( 1.006 0.000 -5.042) 5.142 23.002 ( -1.519 0.000 -5.814) 6.009 ======================= Grid point 169 (59/108) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 9.317 0.000 1.295) 9.407 2.046 ( 13.862 0.000 -0.619) 13.875 2.381 ( -7.132 0.000 2.228) 7.472 2.507 ( -5.249 0.000 -2.615) 5.865 2.920 ( 9.787 0.000 -9.246) 13.463 3.009 ( 5.482 0.000 6.033) 8.152 3.195 ( -5.011 0.000 -2.177) 5.463 3.326 ( -11.928 0.000 -18.182) 21.745 4.143 ( 1.855 0.000 0.525) 1.928 4.315 ( -5.992 0.000 -5.855) 8.378 4.492 ( 13.764 0.000 -2.037) 13.914 4.864 ( -5.600 0.000 -6.387) 8.494 4.948 ( -0.182 0.000 0.578) 0.606 5.060 ( -6.754 0.000 -0.670) 6.788 5.167 ( 1.579 0.000 2.588) 3.032 5.307 ( -5.301 0.000 5.106) 7.360 5.488 ( 5.410 0.000 2.988) 6.180 5.715 ( -6.817 0.000 0.557) 6.840 5.721 ( -0.653 0.000 -1.058) 1.243 5.846 ( -5.805 0.000 -5.399) 7.927 6.338 ( 5.430 0.000 6.922) 8.797 6.505 ( -2.503 0.000 11.108) 11.386 6.554 ( 9.668 0.000 -2.811) 10.069 6.653 ( 6.958 0.000 5.848) 9.089 6.922 ( -9.477 0.000 5.452) 10.933 7.040 ( -10.394 0.000 6.633) 12.330 7.499 ( 8.594 0.000 -3.206) 9.173 7.775 ( 0.238 0.000 -0.580) 0.627 7.948 ( 2.635 0.000 1.604) 3.085 7.983 ( 4.785 0.000 4.861) 6.821 8.132 ( -1.795 0.000 -12.561) 12.689 8.178 ( -4.266 0.000 3.696) 5.645 8.286 ( 3.362 0.000 -8.221) 8.882 8.513 ( -6.664 0.000 2.002) 6.958 8.779 ( 4.115 0.000 -8.742) 9.662 8.837 ( 1.611 0.000 -5.610) 5.836 9.398 ( 3.394 0.000 3.025) 4.547 9.499 ( -1.476 0.000 4.067) 4.326 9.810 ( 4.051 0.000 -15.285) 15.812 9.973 ( -3.931 0.000 -16.162) 16.633 11.137 ( 2.715 0.000 11.734) 12.044 11.323 ( -7.052 0.000 5.726) 9.084 11.515 ( 0.779 0.000 2.077) 2.219 11.526 ( 0.331 0.000 1.371) 1.410 12.790 ( -1.092 0.000 1.680) 2.004 12.925 ( -6.840 0.000 3.538) 7.701 12.983 ( 2.410 0.000 -2.545) 3.505 13.121 ( -3.757 0.000 -2.073) 4.291 15.219 ( -0.150 0.000 10.112) 10.113 15.274 ( -2.744 0.000 9.577) 9.962 15.749 ( 4.363 0.000 -4.169) 6.035 15.995 ( 5.475 0.000 15.103) 16.064 16.016 ( -6.684 0.000 -3.046) 7.345 16.229 ( 5.099 0.000 3.755) 6.333 16.264 ( -8.276 0.000 18.094) 19.897 16.409 ( -5.675 0.000 0.501) 5.697 17.718 ( 16.645 0.000 -2.431) 16.822 18.263 ( -2.583 0.000 -4.286) 5.004 18.319 ( -4.915 0.000 -0.695) 4.964 18.341 ( -14.643 0.000 -1.879) 14.763 19.276 ( 0.974 0.000 7.412) 7.475 19.308 ( -0.477 0.000 7.031) 7.048 19.636 ( 3.672 0.000 -5.218) 6.381 19.759 ( -2.106 0.000 -4.462) 4.934 21.699 ( 5.538 0.000 -2.493) 6.073 21.736 ( 7.843 0.000 -7.565) 10.897 21.900 ( -4.101 0.000 -5.628) 6.964 22.000 ( -5.737 0.000 -12.078) 13.371 22.333 ( 6.392 0.000 5.328) 8.321 22.607 ( -7.098 0.000 0.153) 7.099 22.849 ( 1.937 0.000 -4.497) 4.896 22.955 ( -3.035 0.000 -5.088) 5.924 ======================= Grid point 170 (60/108) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -10.630 0.000 1.680) 10.762 2.203 ( 10.630 0.000 1.680) 10.762 2.318 ( -13.340 0.000 -5.576) 14.459 2.318 ( 13.340 0.000 -5.576) 14.459 3.109 ( -4.628 0.000 2.066) 5.068 3.109 ( 4.628 0.000 2.066) 5.068 3.115 ( -10.418 0.000 -16.130) 19.202 3.115 ( 10.418 0.000 -16.130) 19.202 4.208 ( -4.823 0.000 -3.493) 5.955 4.208 ( 4.823 0.000 -3.493) 5.955 4.717 ( -9.797 0.000 -5.165) 11.076 4.717 ( 9.797 0.000 -5.165) 11.076 4.967 ( -2.752 0.000 0.486) 2.795 4.967 ( 2.752 0.000 0.486) 2.795 5.216 ( -3.718 0.000 3.871) 5.367 5.216 ( 3.718 0.000 3.871) 5.367 5.594 ( -5.801 0.000 1.766) 6.064 5.594 ( 5.801 0.000 1.766) 6.064 5.754 ( -3.667 0.000 -3.235) 4.890 5.754 ( 3.667 0.000 -3.235) 4.890 6.438 ( -4.553 0.000 8.966) 10.056 6.438 ( 4.553 0.000 8.966) 10.056 6.742 ( -9.261 0.000 1.817) 9.438 6.742 ( 9.261 0.000 1.817) 9.438 6.825 ( -10.758 0.000 7.012) 12.841 6.825 ( 10.758 0.000 7.012) 12.841 7.665 ( -8.380 0.000 -0.503) 8.395 7.665 ( 8.380 0.000 -0.504) 8.395 8.061 ( -5.689 0.000 -7.203) 9.178 8.061 ( 5.689 0.000 -7.203) 9.178 8.083 ( -5.353 0.000 4.088) 6.736 8.083 ( 5.353 0.000 4.088) 6.736 8.380 ( -6.374 0.000 -2.215) 6.748 8.380 ( 6.374 0.000 -2.215) 6.748 8.837 ( -1.631 0.000 -6.422) 6.626 8.837 ( 1.631 0.000 -6.422) 6.626 9.460 ( -2.717 0.000 3.713) 4.601 9.460 ( 2.717 0.000 3.713) 4.601 9.892 ( -4.370 0.000 -15.829) 16.421 9.892 ( 4.370 0.000 -15.829) 16.421 11.209 ( -4.864 0.000 8.955) 10.190 11.209 ( 4.864 0.000 8.955) 10.190 11.527 ( -0.342 0.000 1.508) 1.547 11.527 ( 0.342 0.000 1.508) 1.547 12.818 ( -3.857 0.000 2.792) 4.761 12.818 ( 3.857 0.000 2.792) 4.761 13.045 ( -3.852 0.000 -2.799) 4.762 13.045 ( 3.852 0.000 -2.799) 4.762 15.233 ( -1.488 0.000 9.564) 9.680 15.233 ( 1.488 0.000 9.564) 9.680 15.868 ( -7.688 0.000 -4.194) 8.757 15.868 ( 7.688 0.000 -4.194) 8.757 16.115 ( -7.058 0.000 17.531) 18.899 16.115 ( 7.058 0.000 17.531) 18.899 16.320 ( -4.369 0.000 3.218) 5.426 16.320 ( 4.369 0.000 3.218) 5.426 18.040 ( -16.534 0.000 -3.123) 16.827 18.040 ( 16.534 0.000 -3.123) 16.827 18.254 ( -1.631 0.000 -2.619) 3.086 18.254 ( 1.631 0.000 -2.619) 3.086 19.294 ( -0.878 0.000 7.420) 7.472 19.294 ( 0.878 0.000 7.420) 7.472 19.705 ( -3.366 0.000 -4.678) 5.764 19.705 ( 3.366 0.000 -4.678) 5.764 21.806 ( -5.412 0.000 -4.729) 7.187 21.806 ( 5.412 0.000 -4.729) 7.187 21.879 ( -6.949 0.000 -10.574) 12.653 21.879 ( 6.949 0.000 -10.574) 12.653 22.467 ( -7.323 0.000 2.872) 7.866 22.467 ( 7.323 0.000 2.872) 7.866 22.896 ( -2.915 0.000 -4.568) 5.419 22.896 ( 2.915 0.000 -4.568) 5.419 ======================= Grid point 176 (61/108) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 -6.874 15.107) 16.598 1.653 ( 0.000 -13.933 21.432) 25.563 2.229 ( 0.000 2.872 19.817) 20.024 2.322 ( 0.000 -6.184 2.140) 6.544 2.945 ( 0.000 7.213 6.901) 9.982 3.156 ( 0.000 0.530 6.517) 6.538 3.321 ( 0.000 2.946 17.690) 17.934 3.376 ( 0.000 1.349 19.913) 19.958 4.137 ( 0.000 4.418 4.650) 6.414 4.471 ( 0.000 6.025 -7.910) 9.943 4.627 ( 0.000 -2.327 -10.431) 10.687 4.640 ( 0.000 -12.218 9.433) 15.436 5.003 ( 0.000 12.683 7.318) 14.643 5.109 ( 0.000 2.985 7.202) 7.796 5.271 ( 0.000 -4.874 -0.582) 4.909 5.356 ( 0.000 5.254 7.951) 9.530 5.568 ( 0.000 4.649 -1.877) 5.014 5.860 ( 0.000 1.748 1.611) 2.377 5.940 ( 0.000 -22.485 7.251) 23.625 6.001 ( 0.000 5.108 -2.728) 5.791 6.082 ( 0.000 -6.436 0.275) 6.442 6.412 ( 0.000 -12.487 -5.856) 13.792 6.517 ( 0.000 4.581 -9.707) 10.734 6.673 ( 0.000 -1.053 -5.278) 5.382 7.121 ( 0.000 10.899 0.284) 10.902 7.385 ( 0.000 0.104 6.632) 6.632 7.449 ( 0.000 17.036 -3.034) 17.304 7.683 ( 0.000 -2.044 1.440) 2.500 7.794 ( 0.000 2.855 0.915) 2.999 7.875 ( 0.000 1.440 1.347) 1.972 7.984 ( 0.000 -8.781 -0.866) 8.824 8.105 ( 0.000 6.004 -9.197) 10.983 8.315 ( 0.000 -10.209 -5.348) 11.525 8.385 ( 0.000 -2.862 -9.675) 10.090 8.532 ( 0.000 1.071 -5.960) 6.055 8.549 ( 0.000 -0.493 -12.048) 12.058 9.475 ( 0.000 3.456 2.863) 4.488 9.635 ( 0.000 -2.658 0.017) 2.659 9.897 ( 0.000 1.325 -12.850) 12.918 9.935 ( 0.000 -0.253 -13.900) 13.902 11.215 ( 0.000 5.455 12.382) 13.530 11.461 ( 0.000 -4.190 4.487) 6.140 11.526 ( 0.000 4.005 0.807) 4.085 11.775 ( 0.000 -5.740 -5.626) 8.038 12.959 ( 0.000 -3.759 1.864) 4.196 13.027 ( 0.000 -8.213 8.780) 12.022 13.252 ( 0.000 6.695 -7.210) 9.839 13.382 ( 0.000 3.039 -1.722) 3.493 15.371 ( 0.000 -3.627 7.526) 8.354 15.427 ( 0.000 -3.365 16.186) 16.533 15.804 ( 0.000 2.366 0.511) 2.420 15.864 ( 0.000 -0.882 1.162) 1.459 15.908 ( 0.000 0.169 4.389) 4.393 15.932 ( 0.000 -0.532 3.741) 3.778 16.340 ( 0.000 14.906 -6.626) 16.313 16.872 ( 0.000 -8.097 -7.766) 11.220 18.007 ( 0.000 7.554 14.050) 15.952 18.426 ( 0.000 -9.588 6.457) 11.560 18.758 ( 0.000 0.234 -10.271) 10.273 18.774 ( 0.000 -0.133 -5.121) 5.122 19.152 ( 0.000 -0.221 4.460) 4.466 19.174 ( 0.000 -0.722 5.262) 5.311 19.596 ( 0.000 1.394 -5.492) 5.666 19.646 ( 0.000 -0.791 -5.142) 5.203 21.541 ( 0.000 0.023 8.743) 8.743 21.544 ( 0.000 -0.097 9.570) 9.570 21.695 ( 0.000 3.346 4.645) 5.725 21.999 ( 0.000 -12.726 3.331) 13.154 22.598 ( 0.000 13.358 -6.092) 14.682 22.813 ( 0.000 1.295 -7.826) 7.933 22.877 ( 0.000 -2.312 -7.806) 8.141 22.902 ( 0.000 -1.804 -8.461) 8.651 ======================= Grid point 177 (62/108) ======================= q-point: ( 0.10 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -1.000 -10.037 15.959) 18.879 1.806 ( 8.661 -6.344 18.732) 21.591 2.190 ( -2.769 -2.312 11.443) 11.998 2.364 ( 3.232 -3.011 11.268) 12.103 2.803 ( -6.946 6.358 3.540) 10.060 3.142 ( -8.528 2.973 17.444) 19.643 3.409 ( 8.941 0.554 8.010) 12.017 3.471 ( 9.856 0.745 7.709) 12.535 4.034 ( -9.812 -3.018 5.952) 11.867 4.365 ( -5.526 8.205 -1.838) 10.062 4.600 ( -2.767 -0.825 -10.034) 10.441 4.807 ( 10.887 -6.401 4.873) 13.536 4.977 ( -1.392 8.451 2.453) 8.910 5.168 ( 4.532 5.712 7.598) 10.531 5.243 ( -2.594 -5.498 0.842) 6.138 5.315 ( -3.465 3.983 4.298) 6.808 5.572 ( 0.412 1.855 1.103) 2.197 5.828 ( -2.823 1.066 1.937) 3.586 5.972 ( -0.607 -6.701 1.242) 6.842 6.009 ( 2.976 -5.006 3.737) 6.919 6.107 ( 2.617 -5.003 1.432) 5.825 6.367 ( -4.020 -11.655 -7.017) 14.186 6.495 ( -1.947 2.288 -7.288) 7.883 6.698 ( 1.900 2.732 -5.982) 6.845 7.084 ( -2.612 5.682 3.484) 7.159 7.379 ( -1.883 2.305 1.256) 3.230 7.484 ( 3.033 14.332 -0.675) 14.665 7.578 ( -6.579 2.984 1.501) 7.378 7.807 ( -0.293 -2.788 0.073) 2.804 7.897 ( 2.223 0.115 -0.819) 2.372 8.019 ( 2.808 -6.681 -1.235) 7.352 8.143 ( 3.191 5.257 -4.651) 7.711 8.316 ( 0.325 -8.468 -3.673) 9.236 8.441 ( 5.041 -2.521 -8.468) 10.173 8.562 ( 3.315 1.260 -7.911) 8.669 8.582 ( 3.049 -0.155 -12.128) 12.506 9.451 ( -2.444 3.110 3.521) 5.295 9.608 ( -2.582 -2.598 0.570) 3.707 9.814 ( -4.655 1.161 -13.208) 14.052 10.004 ( 3.363 -0.203 -14.036) 14.435 11.188 ( -2.519 4.745 12.910) 13.983 11.457 ( -0.374 -3.976 4.500) 6.016 11.513 ( -1.011 1.819 1.079) 2.344 11.750 ( -2.802 -2.806 -4.693) 6.144 12.924 ( -2.949 -4.367 2.307) 5.753 13.043 ( 0.833 -7.158 7.175) 10.169 13.216 ( -3.383 6.717 -5.894) 9.555 13.351 ( -3.104 2.563 -1.395) 4.260 15.337 ( -2.969 -2.435 9.906) 10.624 15.412 ( -1.553 -3.140 14.124) 14.552 15.778 ( -2.000 1.938 0.938) 2.939 15.822 ( -1.599 -1.013 6.326) 6.603 15.905 ( 3.619 -0.378 1.228) 3.841 16.142 ( 12.368 -0.074 0.341) 12.373 16.321 ( -1.036 13.488 -6.167) 14.867 16.827 ( -4.698 -7.182 -7.724) 11.546 17.743 ( -20.160 3.069 17.632) 26.958 18.471 ( 1.039 -3.631 5.042) 6.300 18.644 ( -6.381 -3.220 -7.615) 10.444 18.871 ( 1.572 2.436 -4.713) 5.533 19.169 ( 3.333 -0.294 3.077) 4.546 19.210 ( 2.636 -0.533 5.464) 6.090 19.555 ( -2.061 0.655 -5.554) 5.960 19.703 ( 3.622 -0.258 -5.118) 6.275 21.510 ( -2.343 0.261 8.283) 8.612 21.520 ( -1.010 -0.142 7.309) 7.379 21.767 ( 6.185 2.570 4.573) 8.109 22.027 ( 2.158 -10.713 0.866) 10.963 22.505 ( -7.626 9.355 -6.143) 13.543 22.802 ( -1.071 -0.160 -6.773) 6.859 22.873 ( -0.435 -1.139 -7.815) 7.910 22.961 ( 4.144 0.683 -7.604) 8.687 ======================= Grid point 178 (63/108) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 6.096 -6.217 8.565) 12.213 1.925 ( 2.513 3.867 19.384) 19.925 2.171 ( 2.040 -10.558 5.814) 12.224 2.432 ( 3.992 -3.985 15.152) 16.168 2.754 ( 1.577 5.600 -0.092) 5.819 2.996 ( -5.897 3.986 8.848) 11.356 3.394 ( -4.960 -3.304 -2.815) 6.591 3.757 ( 1.345 -8.054 -3.804) 9.009 3.850 ( 3.829 3.936 7.044) 8.931 4.286 ( -2.960 7.704 6.780) 10.681 4.532 ( -3.964 0.557 -10.878) 11.591 4.957 ( 2.890 4.113 -1.501) 5.246 4.975 ( 2.118 0.791 0.429) 2.301 5.188 ( -2.449 -2.504 4.154) 5.433 5.208 ( -1.696 -0.893 2.597) 3.228 5.311 ( 4.435 4.326 5.145) 8.053 5.562 ( -2.056 2.466 0.176) 3.215 5.749 ( -4.820 0.281 0.903) 4.912 5.948 ( -2.661 -7.086 3.719) 8.434 6.043 ( -0.172 1.400 4.341) 4.565 6.153 ( 1.108 -5.324 1.814) 5.733 6.308 ( -0.764 -8.485 -6.721) 10.851 6.464 ( -0.421 0.376 -1.121) 1.255 6.730 ( 1.573 10.043 -5.315) 11.471 7.051 ( -0.826 -2.036 6.670) 7.022 7.283 ( -8.711 -3.235 5.124) 10.611 7.472 ( 1.037 9.562 -10.059) 13.918 7.587 ( 2.754 9.895 4.174) 11.087 7.792 ( 0.389 -6.817 0.695) 6.864 7.962 ( 3.484 -0.190 -4.797) 5.932 8.073 ( 2.721 -2.095 -0.925) 3.557 8.160 ( -1.748 -3.898 1.255) 4.452 8.351 ( 2.906 1.599 -3.416) 4.761 8.543 ( 4.631 -2.357 -5.212) 7.360 8.625 ( 3.315 1.287 -11.939) 12.458 8.675 ( 5.954 -0.016 -9.092) 10.868 9.390 ( -3.457 1.658 4.735) 6.092 9.554 ( -2.550 -1.887 1.763) 3.629 9.750 ( -1.601 1.201 -13.816) 13.960 10.042 ( 0.503 -0.627 -14.819) 14.841 11.139 ( -2.091 2.985 13.459) 13.944 11.444 ( -1.198 -4.631 4.749) 6.741 11.501 ( -0.057 0.377 1.158) 1.219 11.666 ( -5.638 1.207 -2.270) 6.197 12.861 ( -3.466 -4.497 1.727) 5.935 13.037 ( -1.718 -3.511 4.362) 5.857 13.144 ( -3.578 4.738 -2.066) 6.287 13.272 ( -4.813 1.430 -1.379) 5.207 15.278 ( -2.853 -0.934 11.923) 12.295 15.371 ( -2.505 -2.300 11.447) 11.942 15.747 ( -1.420 2.198 -0.688) 2.705 15.823 ( 1.507 -1.834 8.628) 8.949 15.991 ( 5.108 -0.186 1.214) 5.254 16.236 ( -1.247 6.859 0.028) 6.972 16.408 ( 6.725 3.053 -1.510) 7.538 16.698 ( -8.324 -5.285 -7.076) 12.136 17.423 ( -9.735 0.744 17.333) 19.894 18.440 ( -3.981 -0.325 1.452) 4.250 18.517 ( -6.555 -3.874 -4.433) 8.811 18.806 ( -7.195 2.208 -1.776) 7.733 19.233 ( 2.246 0.738 5.614) 6.091 19.270 ( 3.033 -0.598 3.939) 5.007 19.539 ( 0.514 0.238 -5.802) 5.830 19.760 ( 2.096 -0.234 -4.877) 5.313 21.499 ( 2.009 -0.078 4.121) 4.585 21.534 ( 2.346 -0.002 3.688) 4.371 21.888 ( 5.352 1.773 1.348) 5.797 22.064 ( 1.799 -6.736 -2.425) 7.382 22.355 ( -7.449 5.060 -4.792) 10.201 22.770 ( -2.434 -2.054 -4.296) 5.348 22.862 ( -0.636 1.374 -7.306) 7.461 23.013 ( 0.921 0.786 -6.406) 6.519 ======================= Grid point 179 (64/108) ======================= q-point: ( 0.30 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 10.277 -3.209 -1.348) 10.850 1.953 ( 3.439 8.216 13.387) 16.079 2.233 ( 2.309 -11.973 6.854) 13.987 2.521 ( 5.153 -7.339 9.607) 13.142 2.819 ( 2.973 7.114 -2.160) 8.007 2.933 ( 0.448 0.232 0.194) 0.540 3.263 ( -7.967 -4.938 -6.897) 11.637 3.554 ( -11.812 -2.038 -12.546) 17.352 4.085 ( 7.807 -0.159 1.476) 7.947 4.264 ( 0.883 1.913 8.257) 8.522 4.479 ( 0.312 4.657 -10.710) 11.683 4.957 ( -1.212 2.069 -2.238) 3.280 5.022 ( 2.029 5.839 -0.905) 6.247 5.148 ( -2.732 -3.662 3.047) 5.492 5.177 ( -0.535 1.786 -0.419) 1.911 5.401 ( 3.848 3.627 6.319) 8.239 5.493 ( -4.833 4.321 -0.023) 6.483 5.663 ( -3.995 -3.022 0.609) 5.046 5.869 ( -4.475 -7.000 3.869) 9.165 5.954 ( -8.569 2.456 -3.049) 9.421 6.189 ( 3.444 -5.047 7.138) 9.396 6.333 ( 2.356 -6.328 -0.008) 6.752 6.502 ( 4.022 1.703 3.871) 5.836 6.768 ( 2.284 14.310 -4.584) 15.199 7.036 ( -1.524 -5.686 6.426) 8.715 7.097 ( -9.292 -2.984 8.116) 12.693 7.532 ( 2.862 9.778 -10.642) 14.733 7.626 ( 3.306 -4.188 0.074) 5.336 7.848 ( 4.402 -0.733 5.061) 6.748 7.989 ( -0.937 -0.871 -1.756) 2.173 8.101 ( -0.397 -1.185 -3.628) 3.837 8.144 ( 1.825 -5.120 -0.281) 5.443 8.378 ( -0.711 5.664 -3.624) 6.761 8.581 ( -1.233 -1.432 -0.292) 1.912 8.703 ( 4.709 0.786 -11.562) 12.509 8.781 ( 4.770 0.313 -7.074) 8.538 9.348 ( -0.115 -0.300 4.218) 4.230 9.518 ( -1.384 -0.800 3.272) 3.642 9.757 ( 2.148 0.949 -14.740) 14.926 10.025 ( -2.137 -0.751 -15.603) 15.767 11.117 ( -0.090 1.243 13.046) 13.106 11.400 ( -3.764 -4.238 4.666) 7.342 11.511 ( 0.904 0.443 1.162) 1.538 11.561 ( -4.284 1.961 0.590) 4.749 12.801 ( -2.482 -3.226 1.741) 4.427 12.988 ( -2.950 0.006 2.425) 3.819 13.076 ( -3.830 2.942 0.070) 4.830 13.181 ( -4.349 -0.452 -2.242) 4.914 15.235 ( -1.598 -0.242 11.837) 11.947 15.320 ( -2.768 -1.174 9.679) 10.135 15.727 ( -0.093 1.904 -3.226) 3.747 15.874 ( 3.583 -2.178 11.639) 12.371 16.089 ( 4.394 0.314 0.051) 4.405 16.207 ( -1.492 5.549 2.861) 6.419 16.403 ( -6.413 -0.499 9.026) 11.083 16.531 ( -8.527 -2.568 -1.526) 9.035 17.441 ( 10.313 0.059 4.353) 11.194 18.341 ( -5.429 -0.226 -4.230) 6.886 18.400 ( -5.815 -2.314 0.668) 6.294 18.621 ( -11.716 1.874 -1.553) 11.967 19.264 ( 1.118 0.706 6.932) 7.057 19.303 ( 0.574 -0.478 5.840) 5.888 19.572 ( 2.753 0.044 -5.742) 6.368 19.779 ( -0.095 -0.176 -4.567) 4.571 21.583 ( 6.146 -0.480 -1.801) 6.422 21.605 ( 5.032 0.241 -0.119) 5.040 21.938 ( -0.219 -0.286 -4.697) 4.710 22.087 ( -1.241 -0.962 -8.485) 8.629 22.260 ( -0.443 1.257 3.079) 3.356 22.705 ( -4.430 -1.801 -2.019) 5.190 22.854 ( -0.038 2.114 -6.089) 6.446 23.000 ( -2.041 -0.209 -5.315) 5.697 ======================= Grid point 180 (65/108) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.862 -4.107 2.372) 8.342 2.133 ( 12.133 5.641 -3.146) 13.745 2.223 ( -1.791 -7.094 7.432) 10.429 2.591 ( -0.878 -0.379 -2.948) 3.099 2.828 ( 1.548 -2.737 -1.690) 3.570 3.028 ( 6.895 0.438 -7.112) 9.915 3.113 ( -7.248 -7.629 -5.206) 11.741 3.344 ( -9.885 1.110 -16.657) 19.401 4.145 ( 1.337 0.337 -0.646) 1.522 4.242 ( -3.366 -4.048 -0.701) 5.312 4.601 ( 10.260 6.780 -5.353) 13.413 4.924 ( -3.020 5.802 -3.987) 7.661 5.038 ( -0.594 4.812 0.405) 4.866 5.090 ( -2.707 4.468 -0.233) 5.230 5.192 ( 2.602 2.085 1.033) 3.490 5.387 ( -5.952 3.723 1.503) 7.179 5.452 ( 1.944 0.919 4.731) 5.197 5.592 ( -4.022 -5.099 0.045) 6.494 5.791 ( -4.071 0.164 1.641) 4.392 5.812 ( -3.695 -4.044 -0.942) 5.558 6.268 ( 4.362 -5.250 10.374) 12.418 6.368 ( 0.606 -7.019 7.982) 10.647 6.597 ( 5.700 -0.077 3.368) 6.621 6.802 ( 0.189 8.847 -4.843) 10.088 6.925 ( -5.662 3.422 7.198) 9.776 7.006 ( -3.426 -1.533 5.927) 7.015 7.578 ( 3.293 5.438 -5.126) 8.166 7.705 ( 2.053 -8.200 -5.671) 10.180 7.895 ( 0.755 -1.887 4.454) 4.896 7.983 ( 0.569 -0.723 3.969) 4.074 8.110 ( 2.278 -0.776 -8.273) 8.616 8.188 ( 2.010 0.646 2.099) 2.977 8.340 ( -2.017 3.086 -5.912) 6.968 8.499 ( -6.646 -0.788 2.996) 7.333 8.793 ( 4.226 1.016 -8.920) 9.923 8.847 ( 1.920 0.773 -6.370) 6.698 9.385 ( 3.342 -1.012 3.393) 4.869 9.492 ( -1.575 -0.554 4.158) 4.481 9.818 ( 3.811 0.645 -15.373) 15.852 9.968 ( -3.594 -0.423 -16.040) 16.444 11.137 ( 2.113 0.004 11.529) 11.721 11.301 ( -5.853 -1.697 6.090) 8.615 11.519 ( -0.274 0.175 1.654) 1.685 11.527 ( 0.309 0.095 1.134) 1.179 12.780 ( 0.559 -0.855 2.479) 2.681 12.916 ( -4.826 0.028 3.546) 5.989 13.023 ( -0.717 2.734 -2.456) 3.745 13.105 ( -3.643 -1.408 -2.815) 4.814 15.218 ( -0.099 -0.075 10.703) 10.704 15.269 ( -2.454 -0.398 9.074) 9.408 15.761 ( 3.890 1.030 -4.331) 5.912 15.943 ( 2.282 -2.226 9.963) 10.460 16.084 ( -3.869 3.562 0.306) 5.268 16.226 ( 1.814 -0.180 7.385) 7.607 16.260 ( -5.419 -0.301 13.322) 14.385 16.396 ( -5.159 -1.149 3.330) 6.247 17.718 ( 16.648 0.053 -2.448) 16.827 18.261 ( -2.487 -0.176 -4.425) 5.079 18.284 ( -7.277 -1.710 -0.235) 7.478 18.378 ( -12.113 1.870 -2.268) 12.465 19.281 ( 0.741 0.442 7.382) 7.433 19.304 ( -0.336 -0.396 7.057) 7.076 19.636 ( 3.653 0.002 -5.190) 6.346 19.758 ( -2.058 -0.096 -4.435) 4.890 21.700 ( 5.831 0.110 -3.588) 6.848 21.728 ( 7.215 -0.633 -6.011) 9.412 21.899 ( -3.380 -0.054 -6.948) 7.727 22.000 ( -6.268 -0.040 -10.908) 12.580 22.337 ( 6.484 0.312 5.202) 8.318 22.601 ( -6.260 -0.405 0.187) 6.276 22.863 ( 1.084 1.199 -4.984) 5.239 22.948 ( -2.958 -0.633 -4.691) 5.581 ======================= Grid point 181 (66/108) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -7.515 -7.436 4.276) 11.404 2.084 ( 7.515 -7.436 4.276) 11.404 2.432 ( -13.327 8.156 -7.340) 17.263 2.432 ( 13.327 8.156 -7.340) 17.263 2.948 ( -8.754 -10.097 -4.981) 14.261 2.948 ( 8.754 -10.097 -4.981) 14.261 3.179 ( -7.668 1.264 -11.856) 14.176 3.179 ( 7.668 1.264 -11.856) 14.176 4.180 ( -2.565 -1.920 -1.788) 3.669 4.180 ( 2.565 -1.920 -1.788) 3.669 4.799 ( -9.480 6.432 -5.392) 12.662 4.799 ( 9.480 6.432 -5.392) 12.662 5.046 ( -1.718 6.379 -0.001) 6.607 5.046 ( 1.718 6.379 -0.001) 6.607 5.274 ( -5.445 4.329 2.553) 7.410 5.274 ( 5.445 4.329 2.553) 7.410 5.506 ( -4.073 -4.264 0.787) 5.949 5.506 ( 4.073 -4.264 0.787) 5.949 5.769 ( -1.200 -1.549 1.457) 2.442 5.769 ( 1.200 -1.549 1.457) 2.442 6.343 ( -3.046 -6.927 11.511) 13.775 6.343 ( 3.046 -6.927 11.511) 13.775 6.718 ( -6.724 -2.356 1.830) 7.356 6.718 ( 6.724 -2.356 1.830) 7.356 6.930 ( -3.793 8.830 2.765) 10.000 6.930 ( 3.793 8.830 2.765) 10.000 7.662 ( -4.782 -1.339 -3.506) 6.079 7.662 ( 4.782 -1.339 -3.506) 6.079 7.948 ( -3.634 -4.936 0.256) 6.135 7.948 ( 3.634 -4.937 0.256) 6.135 8.180 ( -3.269 3.998 -1.608) 5.409 8.180 ( 3.269 3.998 -1.608) 5.409 8.368 ( -5.525 -0.799 -0.175) 5.585 8.368 ( 5.525 -0.799 -0.175) 5.585 8.851 ( -1.557 1.078 -6.931) 7.185 8.851 ( 1.557 1.078 -6.931) 7.185 9.450 ( -2.921 -0.834 3.903) 4.946 9.450 ( 2.921 -0.834 3.903) 4.946 9.894 ( -3.994 0.161 -15.884) 16.379 9.894 ( 3.994 0.161 -15.884) 16.379 11.200 ( -4.442 -0.750 8.962) 10.030 11.200 ( 4.442 -0.750 8.962) 10.030 11.525 ( -0.448 -0.159 1.320) 1.403 11.525 ( 0.448 -0.159 1.320) 1.403 12.825 ( -3.976 0.563 3.160) 5.110 12.825 ( 3.976 0.563 3.160) 5.110 13.044 ( -2.476 -0.051 -3.089) 3.959 13.044 ( 2.476 -0.051 -3.089) 3.959 15.231 ( -1.393 -0.128 9.548) 9.650 15.231 ( 1.393 -0.128 9.548) 9.650 15.872 ( -7.036 0.364 -3.973) 8.089 15.872 ( 7.036 0.364 -3.973) 8.089 16.116 ( -5.956 0.055 16.025) 17.096 16.116 ( 5.956 0.055 16.025) 17.096 16.316 ( -3.944 -0.325 4.412) 5.927 16.316 ( 3.944 -0.325 4.412) 5.927 18.039 ( -16.145 -0.117 -3.008) 16.423 18.039 ( 16.145 -0.117 -3.008) 16.423 18.257 ( -2.121 0.232 -2.784) 3.507 18.257 ( 2.121 0.232 -2.784) 3.507 19.294 ( -0.626 -0.012 7.438) 7.464 19.294 ( 0.626 -0.012 7.438) 7.464 19.705 ( -3.335 -0.035 -4.652) 5.724 19.705 ( 3.335 -0.035 -4.652) 5.724 21.804 ( -4.169 -0.159 -5.348) 6.783 21.804 ( 4.169 -0.159 -5.348) 6.783 21.876 ( -5.897 -0.220 -9.772) 11.415 21.876 ( 5.897 -0.220 -9.772) 11.415 22.471 ( -7.147 0.312 2.721) 7.654 22.471 ( 7.147 0.312 2.721) 7.654 22.896 ( -2.314 0.001 -4.552) 5.107 22.896 ( 2.314 0.001 -4.552) 5.107 ======================= Grid point 187 (67/108) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 -0.715 14.985) 15.002 1.530 ( 0.000 0.715 14.985) 15.002 2.243 ( 0.000 -0.471 16.822) 16.828 2.243 ( 0.000 0.471 16.822) 16.828 3.098 ( 0.000 -4.859 5.996) 7.718 3.098 ( 0.000 4.859 5.996) 7.718 3.368 ( 0.000 -1.293 12.585) 12.651 3.368 ( 0.000 1.293 12.585) 12.651 4.348 ( 0.000 -12.976 10.078) 16.429 4.348 ( 0.000 12.976 10.078) 16.429 4.573 ( 0.000 -3.800 -8.843) 9.625 4.573 ( 0.000 3.800 -8.843) 9.625 5.167 ( 0.000 -1.899 5.848) 6.148 5.167 ( 0.000 1.899 5.848) 6.148 5.351 ( 0.000 -13.380 9.345) 16.321 5.351 ( 0.000 13.380 9.345) 16.321 5.584 ( 0.000 -1.986 2.146) 2.924 5.584 ( 0.000 1.986 2.146) 2.924 5.968 ( 0.000 -5.902 -2.842) 6.551 5.968 ( 0.000 5.902 -2.842) 6.551 6.157 ( 0.000 -11.593 -2.527) 11.865 6.157 ( 0.000 11.593 -2.527) 11.865 6.616 ( 0.000 -3.911 -7.617) 8.562 6.616 ( 0.000 3.911 -7.617) 8.562 7.327 ( 0.000 -6.670 4.386) 7.983 7.327 ( 0.000 6.670 4.386) 7.983 7.628 ( 0.000 -3.190 -0.534) 3.235 7.628 ( 0.000 3.190 -0.534) 3.235 7.859 ( 0.000 -2.434 -4.809) 5.390 7.859 ( 0.000 2.434 -4.809) 5.390 8.048 ( 0.000 -15.376 0.388) 15.381 8.048 ( 0.000 15.376 0.388) 15.381 8.266 ( 0.000 -8.423 -9.299) 12.547 8.266 ( 0.000 8.423 -9.299) 12.547 8.542 ( 0.000 -0.107 -8.607) 8.607 8.542 ( 0.000 0.107 -8.607) 8.607 9.561 ( 0.000 -4.598 1.500) 4.837 9.561 ( 0.000 4.598 1.500) 4.837 9.922 ( 0.000 -0.409 -12.940) 12.947 9.922 ( 0.000 0.409 -12.940) 12.947 11.347 ( 0.000 -6.833 7.774) 10.350 11.347 ( 0.000 6.833 7.774) 10.350 11.639 ( 0.000 -6.596 -0.875) 6.654 11.639 ( 0.000 6.596 -0.875) 6.654 12.930 ( 0.000 -1.059 6.136) 6.226 12.930 ( 0.000 1.059 6.136) 6.226 13.366 ( 0.000 -4.075 -6.480) 7.655 13.366 ( 0.000 4.075 -6.480) 7.655 15.361 ( 0.000 -2.287 13.031) 13.230 15.361 ( 0.000 2.287 13.031) 13.230 15.840 ( 0.000 -1.183 1.228) 1.706 15.840 ( 0.000 1.183 1.228) 1.706 15.918 ( 0.000 -0.113 3.939) 3.940 15.918 ( 0.000 0.113 3.939) 3.940 16.645 ( 0.000 -14.293 -8.049) 16.404 16.645 ( 0.000 14.293 -8.049) 16.404 18.204 ( 0.000 -9.194 11.400) 14.646 18.204 ( 0.000 9.194 11.400) 14.646 18.766 ( 0.000 -0.066 -8.223) 8.224 18.766 ( 0.000 0.066 -8.223) 8.224 19.158 ( 0.000 -0.445 5.133) 5.153 19.158 ( 0.000 0.445 5.133) 5.153 19.625 ( 0.000 -0.767 -5.441) 5.495 19.625 ( 0.000 0.767 -5.441) 5.495 21.542 ( 0.000 -0.018 8.959) 8.959 21.542 ( 0.000 0.018 8.959) 8.959 21.800 ( 0.000 -7.389 4.974) 8.907 21.800 ( 0.000 7.389 4.974) 8.907 22.799 ( 0.000 -6.121 -8.452) 10.435 22.799 ( 0.000 6.121 -8.452) 10.435 22.850 ( 0.000 -2.349 -7.773) 8.121 22.850 ( 0.000 2.349 -7.773) 8.121 ======================= Grid point 189 (68/108) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.704 0.000 10.604) 10.628 1.720 ( 11.456 0.000 14.886) 18.783 2.152 ( -4.347 0.000 16.007) 16.587 2.327 ( 3.499 0.000 20.171) 20.472 2.895 ( -7.892 0.000 1.381) 8.012 3.159 ( -5.537 0.000 12.437) 13.614 3.412 ( -0.068 0.000 5.866) 5.866 3.477 ( 14.354 0.000 5.345) 15.317 4.028 ( -14.398 0.000 8.620) 16.781 4.465 ( -4.701 0.000 3.330) 5.761 4.587 ( -1.135 0.000 -17.133) 17.170 4.713 ( 15.713 -0.000 8.382) 17.809 5.101 ( -2.447 0.000 4.220) 4.878 5.160 ( -4.426 -0.000 0.323) 4.438 5.368 ( 1.195 -0.000 7.510) 7.604 5.397 ( 2.355 0.000 9.155) 9.453 5.406 ( -5.407 -0.000 6.623) 8.550 5.757 ( 6.761 0.000 0.034) 6.761 5.936 ( -1.012 0.000 -1.777) 2.045 6.048 ( 3.142 0.000 0.663) 3.211 6.120 ( -0.615 0.000 -4.025) 4.072 6.125 ( -3.066 -0.000 -0.400) 3.092 6.520 ( -4.437 0.000 -5.672) 7.201 6.734 ( 6.689 0.000 -8.616) 10.908 7.173 ( -7.575 0.000 6.417) 9.928 7.379 ( -3.971 0.000 3.315) 5.173 7.629 ( -3.657 0.000 -3.178) 4.845 7.639 ( 6.243 0.000 -0.158) 6.245 7.763 ( -5.039 -0.000 -5.972) 7.814 7.922 ( 2.916 -0.000 -4.045) 4.986 8.047 ( -0.574 -0.000 0.295) 0.646 8.052 ( 0.610 0.000 1.836) 1.934 8.288 ( 5.368 0.000 -10.164) 11.494 8.373 ( 6.336 -0.000 -3.887) 7.433 8.566 ( 3.957 0.000 -10.159) 10.902 8.585 ( 2.861 0.000 -9.233) 9.666 9.517 ( -4.044 0.000 3.034) 5.056 9.550 ( -1.328 -0.000 1.232) 1.812 9.828 ( -4.533 0.000 -13.030) 13.796 10.001 ( 3.070 0.000 -13.367) 13.715 11.274 ( -4.718 0.000 10.138) 11.182 11.378 ( 0.702 -0.000 6.794) 6.831 11.545 ( -3.636 0.000 0.584) 3.683 11.708 ( 1.224 0.000 -2.807) 3.062 12.877 ( -3.137 0.000 4.666) 5.623 12.967 ( 1.567 0.000 7.061) 7.232 13.328 ( -3.519 0.000 -6.548) 7.434 13.334 ( -3.479 -0.000 -4.727) 5.870 15.326 ( -2.533 -0.000 14.788) 15.003 15.361 ( -0.751 0.000 10.977) 11.003 15.802 ( -2.840 -0.000 7.498) 8.018 15.807 ( -1.355 0.000 0.539) 1.458 15.900 ( 3.901 0.000 1.381) 4.138 16.141 ( 12.597 0.000 0.398) 12.603 16.554 ( -4.852 0.000 -7.760) 9.152 16.667 ( -1.767 -0.000 -8.040) 8.232 17.784 ( -22.999 -0.000 17.442) 28.865 18.419 ( 4.911 0.000 7.209) 8.722 18.612 ( -7.585 -0.000 -7.236) 10.483 18.896 ( 2.006 0.000 -6.158) 6.476 19.165 ( 3.992 0.000 2.726) 4.834 19.204 ( 2.445 0.000 5.913) 6.399 19.563 ( -2.344 0.000 -5.509) 5.987 19.699 ( 3.686 0.000 -5.231) 6.400 21.514 ( -2.738 0.000 9.299) 9.694 21.517 ( -0.691 0.000 6.424) 6.461 21.835 ( 5.669 -0.000 4.900) 7.493 21.876 ( 4.013 0.000 1.975) 4.473 22.607 ( -10.891 0.000 -7.913) 13.462 22.794 ( -2.102 0.000 -6.051) 6.405 22.863 ( 0.919 0.000 -8.462) 8.512 22.968 ( 5.419 0.000 -7.785) 9.485 ======================= Grid point 191 (69/108) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 8.693 0.000 0.238) 8.696 1.934 ( 10.080 0.000 13.800) 17.089 2.087 ( -1.972 0.000 16.043) 16.164 2.368 ( 0.831 0.000 23.477) 23.492 2.820 ( 0.133 0.000 -2.821) 2.824 3.041 ( -5.271 0.000 4.188) 6.732 3.348 ( -6.561 0.000 -4.545) 7.981 3.668 ( -1.945 0.000 -3.971) 4.422 3.907 ( 7.404 0.000 8.606) 11.352 4.364 ( -5.304 0.000 9.931) 11.259 4.544 ( -2.455 0.000 -18.160) 18.325 4.966 ( 9.909 -0.000 4.242) 10.779 5.057 ( -5.056 0.000 -1.352) 5.233 5.084 ( 0.460 -0.000 2.808) 2.845 5.256 ( -5.281 0.000 1.623) 5.525 5.443 ( 2.521 0.000 8.410) 8.780 5.470 ( 3.767 -0.000 6.654) 7.647 5.783 ( -4.298 0.000 3.131) 5.317 5.871 ( -6.291 0.000 -3.892) 7.398 6.062 ( 1.027 -0.000 -2.740) 2.926 6.104 ( 1.813 -0.000 8.783) 8.968 6.170 ( 1.333 0.000 -4.137) 4.347 6.471 ( 0.814 0.000 -0.131) 0.825 6.865 ( 6.608 0.000 -8.799) 11.004 7.048 ( -5.448 0.000 8.719) 10.281 7.243 ( -8.812 0.000 5.169) 10.216 7.530 ( -4.779 0.000 -6.397) 7.985 7.684 ( -2.797 -0.000 -10.417) 10.786 7.801 ( 8.740 0.000 1.004) 8.797 7.973 ( 2.195 -0.000 0.181) 2.203 8.013 ( -2.713 0.000 2.283) 3.546 8.078 ( 1.720 0.000 -0.229) 1.735 8.407 ( 5.405 0.000 -5.913) 8.011 8.493 ( 5.807 0.000 -2.175) 6.201 8.639 ( 2.855 0.000 -11.656) 12.001 8.673 ( 6.310 0.000 -9.070) 11.050 9.418 ( -5.483 0.000 4.889) 7.346 9.524 ( -1.121 -0.000 2.001) 2.294 9.765 ( -1.695 -0.000 -13.737) 13.841 10.034 ( 0.287 0.000 -14.182) 14.185 11.186 ( -3.932 0.000 12.124) 12.746 11.377 ( -0.684 -0.000 6.301) 6.338 11.509 ( -0.390 0.000 0.935) 1.013 11.678 ( -4.084 0.000 -2.621) 4.853 12.814 ( -3.222 0.000 3.581) 4.817 12.987 ( 0.443 0.000 6.720) 6.734 13.244 ( -4.899 0.000 -5.747) 7.552 13.245 ( -5.377 -0.000 -2.511) 5.935 15.274 ( -2.569 -0.000 14.884) 15.104 15.338 ( -1.561 0.000 9.380) 9.509 15.780 ( -1.622 0.000 -1.087) 1.953 15.794 ( 1.547 0.000 10.029) 10.147 15.988 ( 5.178 0.000 1.380) 5.359 16.305 ( 2.138 0.000 2.515) 3.301 16.519 ( 1.602 0.000 -5.995) 6.206 16.574 ( -7.678 -0.000 -7.154) 10.494 17.433 ( -10.678 0.000 17.631) 20.612 18.439 ( -1.867 0.000 5.321) 5.639 18.468 ( -7.366 -0.000 -6.882) 10.081 18.830 ( -7.380 0.000 -2.593) 7.822 19.246 ( 1.890 -0.000 6.625) 6.889 19.259 ( 3.747 0.000 2.303) 4.398 19.542 ( 0.296 0.000 -5.637) 5.645 19.757 ( 2.116 0.000 -4.891) 5.329 21.498 ( 1.757 0.000 4.632) 4.954 21.534 ( 2.478 0.000 3.309) 4.134 21.930 ( 1.469 -0.000 -2.390) 2.805 21.970 ( 7.450 0.000 2.730) 7.934 22.408 ( -9.500 0.000 -6.128) 11.305 22.747 ( -2.783 0.000 -3.669) 4.605 22.875 ( 0.336 0.000 -8.121) 8.128 23.023 ( 0.411 0.000 -6.276) 6.289 ======================= Grid point 193 (70/108) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 10.004 0.000 -7.981) 12.797 2.077 ( 4.115 0.000 13.109) 13.739 2.111 ( 5.858 -0.000 11.743) 13.123 2.380 ( 1.581 0.000 17.551) 17.622 2.887 ( 6.230 0.000 -6.247) 8.822 2.972 ( -2.373 0.000 -2.490) 3.440 3.175 ( -10.892 0.000 -10.111) 14.862 3.533 ( -8.729 0.000 -11.399) 14.357 4.099 ( 7.162 0.000 -0.410) 7.173 4.269 ( -4.490 0.000 8.917) 9.984 4.540 ( 3.358 0.000 -11.755) 12.226 5.001 ( -0.192 0.000 -0.404) 0.447 5.070 ( 0.279 0.000 1.096) 1.131 5.118 ( 3.565 -0.000 1.285) 3.789 5.198 ( -0.749 -0.000 -0.082) 0.753 5.481 ( 0.278 0.000 4.422) 4.431 5.509 ( 0.238 0.000 2.165) 2.178 5.666 ( -5.968 -0.000 7.930) 9.924 5.745 ( -5.447 0.000 -0.433) 5.464 5.979 ( -9.712 -0.000 -5.458) 11.141 6.164 ( 3.503 -0.000 13.243) 13.699 6.212 ( 3.911 0.000 -1.846) 4.325 6.537 ( 3.791 0.000 3.971) 5.490 6.963 ( 1.679 -0.000 -10.288) 10.424 6.972 ( -1.849 0.000 8.778) 8.970 7.076 ( -6.710 0.000 8.818) 11.080 7.494 ( 1.216 0.000 -6.673) 6.783 7.651 ( -0.715 -0.000 -11.294) 11.317 7.921 ( 0.218 -0.000 7.024) 7.027 7.991 ( 4.186 0.000 -3.969) 5.768 7.998 ( -0.021 -0.000 2.611) 2.611 8.115 ( 2.606 -0.000 -0.148) 2.611 8.446 ( -1.690 0.000 -3.939) 4.287 8.560 ( 0.193 0.000 0.612) 0.642 8.711 ( 4.829 0.000 -11.840) 12.787 8.785 ( 5.029 0.000 -7.521) 9.047 9.346 ( -1.223 0.000 4.725) 4.880 9.507 ( -0.812 0.000 3.413) 3.508 9.769 ( 1.968 -0.000 -14.822) 14.952 10.015 ( -2.074 0.000 -15.158) 15.299 11.135 ( -1.282 0.000 12.431) 12.497 11.351 ( -2.272 -0.000 5.705) 6.141 11.516 ( 0.838 0.000 0.998) 1.303 11.580 ( -5.049 0.000 -0.392) 5.064 12.766 ( -1.444 0.000 3.127) 3.444 12.977 ( -1.624 0.000 5.587) 5.819 13.142 ( -5.079 0.000 -1.667) 5.345 13.151 ( -4.595 -0.000 -5.036) 6.818 15.234 ( -1.558 -0.000 13.398) 13.488 15.304 ( -1.960 0.000 8.509) 8.731 15.752 ( -0.729 0.000 -3.256) 3.336 15.848 ( 3.727 0.000 12.030) 12.594 16.090 ( 5.047 0.000 0.688) 5.094 16.289 ( -2.013 0.000 6.750) 7.044 16.392 ( -10.475 -0.000 -4.450) 11.381 16.490 ( -5.550 0.000 6.535) 8.574 17.442 ( 10.232 0.000 4.436) 11.152 18.339 ( -5.778 0.000 -6.474) 8.677 18.372 ( -4.698 0.000 3.592) 5.914 18.642 ( -11.859 0.000 -2.154) 12.053 19.275 ( 1.113 -0.000 7.157) 7.243 19.295 ( 0.466 0.000 5.402) 5.422 19.573 ( 2.701 0.000 -5.676) 6.286 19.777 ( -0.043 0.000 -4.546) 4.546 21.578 ( 6.005 0.000 -1.609) 6.217 21.608 ( 5.060 0.000 -0.182) 5.063 21.934 ( -0.936 0.000 -5.952) 6.025 22.076 ( 1.391 0.000 -5.615) 5.785 22.274 ( -2.320 0.000 1.535) 2.782 22.685 ( -3.803 0.000 -1.647) 4.145 22.878 ( 0.019 0.000 -7.111) 7.111 22.997 ( -2.707 0.000 -4.661) 5.390 ======================= Grid point 195 (71/108) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 5.664 0.000 -0.161) 5.666 2.082 ( -2.956 0.000 10.508) 10.916 2.328 ( 15.085 0.000 -4.921) 15.867 2.463 ( 6.811 0.000 5.018) 8.460 2.910 ( -5.355 -0.000 -5.223) 7.480 2.952 ( -11.699 0.000 -8.832) 14.658 3.031 ( 8.186 0.000 -9.501) 12.541 3.355 ( -9.490 0.000 -16.895) 19.378 4.154 ( 0.205 -0.000 -4.308) 4.313 4.196 ( -2.970 0.000 4.412) 5.319 4.678 ( 9.948 0.000 -6.590) 11.933 5.023 ( -4.849 0.000 -2.408) 5.414 5.050 ( 4.591 -0.000 -0.249) 4.598 5.169 ( 1.075 -0.000 0.427) 1.157 5.219 ( 2.386 -0.000 -1.660) 2.907 5.400 ( -7.729 -0.000 -2.944) 8.271 5.502 ( 0.283 0.000 3.200) 3.213 5.601 ( -1.787 -0.000 12.342) 12.471 5.683 ( -1.246 0.000 3.402) 3.623 5.788 ( -8.361 0.000 -2.990) 8.879 6.222 ( 2.529 0.000 14.067) 14.292 6.269 ( 1.242 0.000 5.991) 6.118 6.591 ( 3.048 0.000 3.638) 4.746 6.850 ( -8.977 0.000 -0.098) 8.978 6.989 ( 2.992 0.000 4.143) 5.111 7.063 ( 0.857 0.000 0.269) 0.899 7.555 ( 4.233 0.000 -6.504) 7.760 7.647 ( -0.125 0.000 -10.897) 10.898 7.890 ( -1.140 -0.000 6.814) 6.909 7.964 ( -3.126 0.000 2.717) 4.141 8.109 ( 6.344 0.000 -4.394) 7.717 8.192 ( 5.159 0.000 2.655) 5.803 8.371 ( -4.970 0.000 -4.804) 6.912 8.494 ( -6.301 0.000 3.449) 7.183 8.805 ( 4.400 0.000 -9.158) 10.160 8.857 ( 2.212 0.000 -7.026) 7.366 9.373 ( 3.270 0.000 3.798) 5.011 9.485 ( -1.653 0.000 4.263) 4.572 9.826 ( 3.565 0.000 -15.505) 15.910 9.962 ( -3.253 0.000 -15.888) 16.217 11.137 ( 1.442 0.000 11.313) 11.405 11.281 ( -4.834 -0.000 6.405) 8.025 11.520 ( -0.995 0.000 1.192) 1.552 11.528 ( 0.208 0.000 0.994) 1.016 12.769 ( 1.817 0.000 3.127) 3.617 12.921 ( -4.219 0.000 4.496) 6.165 13.065 ( -2.633 0.000 -2.365) 3.539 13.076 ( -2.948 -0.000 -4.352) 5.256 15.217 ( -0.122 0.000 11.335) 11.336 15.264 ( -2.112 0.000 8.529) 8.787 15.775 ( 3.390 0.000 -4.581) 5.699 15.921 ( 2.843 0.000 10.512) 10.889 16.124 ( -3.966 0.000 -2.747) 4.824 16.224 ( -5.175 0.000 14.188) 15.103 16.257 ( 0.151 -0.000 4.913) 4.915 16.380 ( -4.446 -0.000 7.426) 8.655 17.719 ( 16.650 0.000 -2.464) 16.832 18.259 ( -2.270 0.000 -5.158) 5.636 18.266 ( -7.029 0.000 0.763) 7.070 18.398 ( -12.316 0.000 -2.602) 12.588 19.289 ( 0.431 -0.000 7.448) 7.461 19.296 ( -0.116 0.000 6.987) 6.988 19.636 ( 3.633 0.000 -5.161) 6.312 19.756 ( -2.010 0.000 -4.408) 4.844 21.702 ( 6.418 0.000 -5.788) 8.643 21.719 ( 6.328 0.000 -3.399) 7.184 21.898 ( -2.715 0.000 -8.186) 8.624 21.999 ( -6.773 0.000 -9.778) 11.895 22.341 ( 6.577 0.000 5.080) 8.310 22.596 ( -5.532 0.000 0.217) 5.536 22.880 ( 0.343 0.000 -5.795) 5.805 22.939 ( -2.887 0.000 -3.963) 4.903 ======================= Grid point 197 (72/108) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -5.111 0.000 6.089) 7.950 1.999 ( 5.111 0.000 6.089) 7.950 2.560 ( -2.939 -0.000 -8.940) 9.411 2.560 ( 2.939 -0.000 -8.940) 9.411 2.797 ( -0.346 0.000 -4.830) 4.842 2.797 ( 0.346 0.000 -4.830) 4.842 3.187 ( -8.136 0.000 -13.775) 15.998 3.187 ( 8.136 0.000 -13.775) 15.998 4.159 ( -0.909 0.000 -0.515) 1.045 4.159 ( 0.909 0.000 -0.515) 1.045 4.879 ( -9.938 0.000 -5.435) 11.327 4.879 ( 9.938 0.000 -5.435) 11.328 5.142 ( -4.017 0.000 -0.835) 4.103 5.142 ( 4.017 -0.000 -0.835) 4.103 5.275 ( -4.033 0.000 -3.535) 5.363 5.275 ( 4.033 0.000 -3.535) 5.363 5.546 ( -3.725 0.000 9.003) 9.743 5.546 ( 3.725 0.000 9.003) 9.743 5.689 ( -2.171 0.000 1.994) 2.947 5.689 ( 2.171 0.000 1.994) 2.947 6.261 ( -1.517 0.000 12.528) 12.619 6.261 ( 1.517 0.000 12.528) 12.619 6.690 ( -7.181 0.000 1.631) 7.364 6.690 ( 7.181 0.000 1.631) 7.364 7.048 ( -2.346 -0.000 0.776) 2.471 7.048 ( 2.346 0.000 0.776) 2.471 7.625 ( -2.552 0.000 -8.615) 8.986 7.625 ( 2.552 0.000 -8.615) 8.986 7.903 ( -2.488 0.000 4.505) 5.146 7.903 ( 2.488 -0.000 4.505) 5.146 8.220 ( -4.609 0.000 -2.655) 5.319 8.220 ( 4.609 0.000 -2.655) 5.319 8.360 ( -6.176 0.000 1.910) 6.464 8.360 ( 6.176 0.000 1.910) 6.464 8.864 ( -1.468 0.000 -7.393) 7.537 8.864 ( 1.468 0.000 -7.393) 7.537 9.439 ( -3.142 0.000 4.113) 5.175 9.439 ( 3.142 0.000 4.113) 5.175 9.896 ( -3.603 0.000 -15.943) 16.345 9.896 ( 3.603 0.000 -15.943) 16.345 11.190 ( -4.034 0.000 8.967) 9.833 11.190 ( 4.034 -0.000 8.967) 9.833 11.523 ( -0.635 -0.000 1.136) 1.301 11.523 ( 0.635 0.000 1.136) 1.301 12.832 ( -4.452 0.000 3.553) 5.696 12.832 ( 4.452 0.000 3.553) 5.696 13.044 ( -0.369 0.000 -3.405) 3.425 13.044 ( 0.369 -0.000 -3.405) 3.425 15.229 ( -1.322 0.000 9.532) 9.624 15.229 ( 1.322 0.000 9.532) 9.624 15.877 ( -6.347 0.000 -3.709) 7.351 15.877 ( 6.347 0.000 -3.709) 7.351 16.117 ( -4.661 0.000 14.382) 15.118 16.117 ( 4.661 0.000 14.382) 15.118 16.311 ( -3.371 0.000 5.700) 6.622 16.311 ( 3.371 -0.000 5.700) 6.623 18.037 ( -15.779 0.000 -2.899) 16.043 18.037 ( 15.779 0.000 -2.899) 16.043 18.260 ( -2.602 0.000 -2.942) 3.928 18.260 ( 2.602 0.000 -2.942) 3.928 19.294 ( -0.107 0.000 7.456) 7.457 19.294 ( 0.107 0.000 7.456) 7.457 19.704 ( -3.304 0.000 -4.625) 5.684 19.704 ( 3.304 0.000 -4.625) 5.684 21.802 ( -2.305 -0.000 -5.974) 6.403 21.802 ( 2.305 0.000 -5.974) 6.403 21.873 ( -4.586 0.000 -8.970) 10.074 21.873 ( 4.586 0.000 -8.970) 10.074 22.475 ( -6.966 0.000 2.577) 7.427 22.475 ( 6.966 0.000 2.577) 7.427 22.896 ( -1.474 0.000 -4.537) 4.770 22.896 ( 1.474 0.000 -4.537) 4.770 ======================= Grid point 220 (73/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 0.000 11.198) 11.198 2.278 ( 0.000 0.000 -4.081) 4.081 2.425 ( 0.000 0.000 17.088) 17.088 2.453 ( 0.000 0.000 23.312) 23.312 3.055 ( 0.000 0.000 11.881) 11.881 3.151 ( 0.000 0.000 -4.695) 4.695 3.421 ( 0.000 0.000 -12.409) 12.409 3.545 ( 0.000 0.000 -0.663) 0.663 4.237 ( 0.000 0.000 5.832) 5.832 4.321 ( 0.000 0.000 -1.550) 1.550 4.538 ( 0.000 0.000 3.956) 3.956 4.873 ( 0.000 0.000 -1.235) 1.235 5.143 ( 0.000 0.000 19.464) 19.464 5.257 ( 0.000 0.000 -1.458) 1.458 5.295 ( 0.000 0.000 12.336) 12.336 5.437 ( 0.000 0.000 6.171) 6.171 5.563 ( 0.000 0.000 5.888) 5.888 5.851 ( 0.000 0.000 0.536) 0.536 5.949 ( 0.000 0.000 0.416) 0.416 6.165 ( 0.000 0.000 2.814) 2.814 6.226 ( 0.000 0.000 -13.492) 13.492 6.304 ( 0.000 0.000 0.434) 0.434 6.427 ( 0.000 0.000 -6.407) 6.407 6.539 ( 0.000 0.000 -10.286) 10.286 7.110 ( 0.000 0.000 4.071) 4.071 7.171 ( 0.000 0.000 6.751) 6.751 7.518 ( 0.000 0.000 6.572) 6.572 7.681 ( 0.000 0.000 -2.741) 2.741 7.804 ( 0.000 0.000 -0.522) 0.522 7.842 ( 0.000 0.000 0.570) 0.570 7.942 ( 0.000 0.000 -3.622) 3.622 8.070 ( 0.000 0.000 -11.662) 11.662 8.137 ( 0.000 0.000 -7.916) 7.916 8.206 ( 0.000 0.000 -19.382) 19.382 8.332 ( 0.000 0.000 1.072) 1.072 8.470 ( 0.000 0.000 -1.752) 1.752 9.511 ( 0.000 0.000 3.711) 3.711 9.652 ( 0.000 0.000 -0.131) 0.131 9.711 ( 0.000 0.000 -8.181) 8.181 9.711 ( 0.000 0.000 -4.661) 4.661 11.367 ( 0.000 0.000 6.889) 6.889 11.486 ( 0.000 0.000 -0.783) 0.783 11.561 ( 0.000 0.000 2.490) 2.490 11.697 ( 0.000 0.000 -5.377) 5.377 13.028 ( 0.000 0.000 -0.371) 0.371 13.051 ( 0.000 0.000 -3.068) 3.068 13.276 ( 0.000 0.000 4.516) 4.516 13.358 ( 0.000 0.000 1.440) 1.440 15.529 ( 0.000 0.000 5.291) 5.291 15.729 ( 0.000 0.000 -3.201) 3.201 15.749 ( 0.000 0.000 9.475) 9.475 15.883 ( 0.000 0.000 -0.205) 0.205 15.986 ( 0.000 0.000 3.007) 3.007 16.089 ( 0.000 0.000 -3.191) 3.191 16.100 ( 0.000 0.000 13.655) 13.655 16.745 ( 0.000 0.000 -13.334) 13.334 18.186 ( 0.000 0.000 11.059) 11.059 18.558 ( 0.000 0.000 -9.045) 9.045 18.592 ( 0.000 0.000 3.316) 3.316 18.719 ( 0.000 0.000 -2.796) 2.796 19.242 ( 0.000 0.000 4.755) 4.755 19.297 ( 0.000 0.000 6.090) 6.090 19.466 ( 0.000 0.000 -5.979) 5.979 19.543 ( 0.000 0.000 -5.975) 5.975 21.690 ( 0.000 0.000 5.584) 5.584 21.733 ( 0.000 0.000 2.610) 2.610 21.753 ( 0.000 0.000 10.688) 10.688 22.138 ( 0.000 0.000 -7.695) 7.695 22.397 ( 0.000 0.000 4.518) 4.518 22.641 ( 0.000 0.000 -7.644) 7.644 22.773 ( 0.000 0.000 -5.089) 5.089 22.774 ( 0.000 0.000 -5.121) 5.121 ======================= Grid point 221 (74/108) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.443 0.000 12.792) 13.023 2.244 ( -4.128 0.000 4.807) 6.336 2.453 ( 2.531 0.000 13.959) 14.186 2.477 ( 2.449 0.000 16.705) 16.884 2.795 ( -12.100 0.000 1.192) 12.158 3.319 ( -9.477 0.000 -16.213) 18.779 3.474 ( 19.255 0.000 1.167) 19.290 3.492 ( -5.442 0.000 9.932) 11.325 4.141 ( -16.255 0.000 -2.382) 16.429 4.154 ( -5.325 0.000 -5.981) 8.008 4.659 ( 8.270 0.000 9.056) 12.264 4.921 ( 3.022 0.000 -1.133) 3.227 5.047 ( -9.493 0.000 18.010) 20.359 5.296 ( 3.388 0.000 7.462) 8.195 5.299 ( 1.369 0.000 -0.344) 1.411 5.366 ( -3.290 0.000 4.320) 5.430 5.585 ( -2.548 0.000 7.146) 7.587 5.836 ( 0.122 0.000 -0.568) 0.581 5.974 ( -1.344 0.000 -0.474) 1.425 6.072 ( -5.535 0.000 -9.475) 10.973 6.230 ( 0.147 0.000 -2.863) 2.867 6.351 ( 3.742 0.000 4.671) 5.984 6.434 ( 0.874 0.000 -1.449) 1.692 6.559 ( 2.695 0.000 -9.878) 10.239 7.094 ( -1.753 0.000 3.044) 3.512 7.213 ( 3.740 0.000 4.592) 5.922 7.528 ( 1.273 0.000 5.498) 5.644 7.589 ( -7.098 0.000 1.672) 7.293 7.772 ( -0.176 0.000 -2.528) 2.534 7.925 ( 5.167 0.000 -2.776) 5.865 7.945 ( 0.479 0.000 -3.495) 3.528 8.134 ( 1.638 0.000 -9.924) 10.058 8.215 ( 11.263 0.000 -8.172) 13.916 8.278 ( 4.264 0.000 -10.297) 11.145 8.339 ( 2.406 0.000 -5.097) 5.637 8.433 ( -3.760 0.000 -1.989) 4.254 9.499 ( -1.147 0.000 3.856) 4.023 9.626 ( -4.112 0.000 -4.741) 6.276 9.636 ( -1.627 0.000 0.450) 1.688 9.778 ( 2.486 0.000 -8.159) 8.529 11.353 ( -1.232 0.000 7.297) 7.400 11.483 ( -0.162 0.000 -0.795) 0.811 11.567 ( 0.333 0.000 2.252) 2.277 11.676 ( -2.271 0.000 -4.172) 4.750 13.007 ( -2.013 0.000 -0.316) 2.037 13.019 ( -3.155 0.000 -2.389) 3.958 13.265 ( -1.153 0.000 3.481) 3.667 13.330 ( -3.006 0.000 1.372) 3.304 15.499 ( -2.665 0.000 5.583) 6.187 15.701 ( -2.481 0.000 -3.554) 4.334 15.743 ( -1.327 0.000 11.773) 11.848 15.918 ( 3.239 0.000 -0.394) 3.263 15.976 ( 0.107 0.000 6.643) 6.644 16.104 ( 1.600 0.000 -2.075) 2.620 16.188 ( 7.997 0.000 5.684) 9.811 16.697 ( -4.809 0.000 -12.716) 13.594 18.024 ( -13.393 0.000 13.972) 19.354 18.468 ( -6.700 0.000 -8.543) 10.857 18.622 ( 0.444 0.000 3.197) 3.228 18.783 ( 3.007 0.000 -3.155) 4.358 19.237 ( 1.013 0.000 3.493) 3.637 19.335 ( 2.849 0.000 6.452) 7.053 19.431 ( -1.866 0.000 -5.821) 6.112 19.594 ( 3.538 0.000 -6.116) 7.065 21.660 ( -2.747 0.000 6.514) 7.069 21.667 ( -3.056 0.000 6.679) 7.345 21.828 ( 3.768 0.000 3.805) 5.355 22.080 ( -5.113 0.000 -8.356) 9.796 22.372 ( -2.109 0.000 4.685) 5.137 22.647 ( 0.688 0.000 -8.121) 8.150 22.778 ( 0.128 0.000 -3.657) 3.659 22.820 ( 3.695 0.000 -5.197) 6.377 ======================= Grid point 222 (75/108) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 1.506 0.000 16.488) 16.557 2.112 ( -8.570 0.000 12.594) 15.233 2.498 ( 1.517 0.000 3.817) 4.108 2.539 ( 3.630 0.000 9.585) 10.249 2.659 ( -2.416 0.000 -3.913) 4.599 3.132 ( -7.871 0.000 -11.912) 14.277 3.346 ( -9.393 0.000 9.997) 13.717 3.771 ( -21.136 0.000 -4.117) 21.534 3.832 ( 17.561 0.000 -2.314) 17.713 4.083 ( -1.995 0.000 -11.295) 11.470 4.712 ( -5.696 0.000 15.288) 16.315 4.931 ( 1.116 0.000 6.628) 6.722 4.944 ( -1.249 0.000 -0.890) 1.534 5.199 ( -5.290 0.000 0.056) 5.290 5.397 ( 5.826 0.000 8.353) 10.184 5.444 ( -10.052 0.000 2.949) 10.476 5.445 ( 5.464 0.000 3.251) 6.358 5.813 ( -10.546 0.000 -12.589) 16.423 5.844 ( -0.816 0.000 -1.133) 1.397 6.015 ( -5.862 0.000 -5.326) 7.920 6.254 ( 4.102 0.000 3.680) 5.511 6.392 ( 0.620 0.000 7.490) 7.516 6.493 ( 5.494 0.000 3.011) 6.265 6.668 ( 7.896 0.000 -2.503) 8.283 7.062 ( -0.519 0.000 -1.077) 1.195 7.266 ( 0.037 0.000 0.968) 0.969 7.453 ( -6.105 0.000 6.532) 8.941 7.580 ( 4.117 0.000 2.667) 4.906 7.818 ( 3.738 0.000 -4.991) 6.236 7.964 ( -0.532 0.000 -3.679) 3.717 7.968 ( 2.246 0.000 -0.871) 2.409 8.226 ( 5.148 0.000 -1.293) 5.308 8.300 ( 1.814 0.000 -13.390) 13.512 8.318 ( -6.016 0.000 -1.297) 6.155 8.438 ( 9.176 0.000 -5.861) 10.888 8.472 ( 8.846 0.000 -9.145) 12.724 9.473 ( -1.507 0.000 4.777) 5.009 9.568 ( -1.647 0.000 -3.732) 4.079 9.597 ( -2.183 0.000 1.095) 2.442 9.800 ( -0.271 0.000 -9.591) 9.594 11.332 ( -0.785 0.000 8.114) 8.152 11.487 ( 0.607 0.000 -0.968) 1.143 11.567 ( -0.420 0.000 1.693) 1.745 11.611 ( -4.415 0.000 -1.309) 4.605 12.942 ( -4.510 0.000 -0.735) 4.569 12.961 ( -2.400 0.000 -0.629) 2.481 13.228 ( -2.794 0.000 1.137) 3.017 13.244 ( -5.802 0.000 1.285) 5.943 15.444 ( -2.769 0.000 6.004) 6.612 15.650 ( -2.509 0.000 -4.123) 4.827 15.683 ( -4.641 0.000 14.306) 15.040 15.989 ( 3.568 0.000 -1.560) 3.894 16.012 ( 3.672 0.000 6.929) 7.842 16.146 ( 2.512 0.000 -0.020) 2.512 16.368 ( 9.642 0.000 -0.766) 9.672 16.580 ( -6.543 0.000 -9.748) 11.740 17.775 ( -10.850 0.000 17.482) 20.576 18.325 ( -7.688 0.000 -10.171) 12.750 18.591 ( -3.738 0.000 4.999) 6.242 18.755 ( -5.859 0.000 -1.844) 6.142 19.292 ( 3.913 0.000 1.617) 4.234 19.387 ( 2.416 0.000 6.721) 7.142 19.421 ( 1.019 0.000 -5.295) 5.392 19.652 ( 2.334 0.000 -6.081) 6.514 21.608 ( -1.987 0.000 6.439) 6.738 21.629 ( -0.885 0.000 5.347) 5.420 21.870 ( 0.286 0.000 -2.189) 2.207 21.976 ( -5.296 0.000 -9.485) 10.864 22.346 ( 0.012 0.000 6.545) 6.545 22.668 ( 1.418 0.000 -7.945) 8.070 22.767 ( -1.479 0.000 -1.078) 1.830 22.877 ( 1.720 0.000 -5.684) 5.939 ======================= Grid point 223 (76/108) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -3.597 0.000 7.965) 8.740 2.077 ( -1.313 0.000 14.482) 14.541 2.499 ( -1.603 0.000 -6.474) 6.669 2.573 ( -1.456 0.000 9.841) 9.948 2.683 ( 4.379 0.000 -7.687) 8.847 3.056 ( -0.719 0.000 -6.666) 6.705 3.157 ( -9.225 0.000 1.898) 9.418 3.365 ( -20.071 0.000 -6.626) 21.137 4.077 ( 1.369 0.000 -6.233) 6.381 4.138 ( 14.239 0.000 -5.985) 15.446 4.544 ( -9.508 0.000 12.023) 15.328 4.862 ( -6.483 0.000 -3.941) 7.587 4.996 ( 3.273 0.000 6.278) 7.080 5.168 ( 1.393 0.000 0.834) 1.624 5.252 ( -9.050 0.000 2.897) 9.502 5.488 ( 3.317 0.000 6.520) 7.316 5.501 ( -0.460 0.000 4.608) 4.631 5.643 ( -6.403 0.000 -13.353) 14.809 5.786 ( -4.889 0.000 -3.335) 5.919 5.858 ( -8.619 0.000 -5.415) 10.178 6.383 ( 8.789 0.000 4.926) 10.075 6.424 ( 3.633 0.000 8.809) 9.529 6.629 ( 8.295 0.000 6.173) 10.340 6.783 ( 2.362 0.000 10.723) 10.981 7.119 ( 7.222 0.000 -11.612) 13.675 7.178 ( -7.969 0.000 0.929) 8.023 7.363 ( -4.983 0.000 8.943) 10.238 7.665 ( 3.782 0.000 -3.335) 5.042 7.872 ( 1.679 0.000 -6.406) 6.623 7.955 ( 0.466 0.000 -3.078) 3.113 8.030 ( 2.433 0.000 2.254) 3.316 8.198 ( -3.850 0.000 -0.161) 3.853 8.220 ( -2.984 0.000 -4.496) 5.396 8.434 ( 8.784 0.000 -11.603) 14.553 8.572 ( 3.802 0.000 -1.864) 4.234 8.628 ( 6.684 0.000 -6.861) 9.578 9.449 ( -0.617 0.000 5.460) 5.495 9.565 ( -1.008 0.000 0.957) 1.390 9.566 ( 1.315 0.000 -4.030) 4.239 9.772 ( -2.476 0.000 -10.269) 10.564 11.327 ( 0.275 0.000 8.615) 8.619 11.504 ( 1.081 0.000 -1.195) 1.612 11.517 ( -4.978 0.000 1.954) 5.348 11.553 ( -0.859 0.000 0.802) 1.175 12.862 ( -3.380 0.000 1.035) 3.535 12.926 ( -1.031 0.000 -1.603) 1.906 13.115 ( -7.432 0.000 1.392) 7.562 13.159 ( -4.357 0.000 -1.315) 4.551 15.401 ( -1.548 0.000 6.486) 6.668 15.582 ( -5.485 0.000 13.434) 14.510 15.620 ( -0.248 0.000 -4.654) 4.660 16.011 ( -2.512 0.000 -5.824) 6.342 16.107 ( 5.938 0.000 7.521) 9.583 16.204 ( 4.061 0.000 1.776) 4.432 16.481 ( -3.189 0.000 -2.614) 4.123 16.507 ( 3.583 0.000 -0.540) 3.623 17.661 ( 0.009 0.000 15.164) 15.164 18.196 ( -5.251 0.000 -9.903) 11.209 18.483 ( -7.200 0.000 4.039) 8.255 18.583 ( -11.586 0.000 -0.718) 11.608 19.358 ( 2.795 0.000 2.725) 3.903 19.424 ( 1.331 0.000 6.551) 6.685 19.466 ( 3.417 0.000 -4.482) 5.636 19.678 ( 0.295 0.000 -5.679) 5.686 21.599 ( 1.142 0.000 3.114) 3.317 21.632 ( 1.020 0.000 2.578) 2.772 21.842 ( -2.809 0.000 -6.074) 6.692 21.882 ( -4.552 0.000 -9.360) 10.408 22.378 ( 3.151 0.000 7.749) 8.365 22.699 ( 1.810 0.000 -7.209) 7.432 22.719 ( -3.440 0.000 1.192) 3.641 22.881 ( -1.159 0.000 -5.955) 6.067 ======================= Grid point 224 (77/108) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 6.509 0.000 1.114) 6.603 2.083 ( 3.270 0.000 4.144) 5.279 2.406 ( -8.487 0.000 -7.106) 11.069 2.462 ( -10.531 0.000 3.314) 11.040 2.785 ( 5.667 0.000 -5.482) 7.885 3.043 ( -2.029 0.000 -6.426) 6.738 3.051 ( -11.737 0.000 -6.482) 13.408 3.060 ( 0.120 0.000 -4.561) 4.562 4.132 ( 4.168 0.000 0.384) 4.185 4.373 ( -8.224 0.000 8.548) 11.862 4.378 ( 11.013 0.000 -8.446) 13.879 4.725 ( -7.619 0.000 -7.592) 10.756 5.035 ( 0.984 0.000 8.016) 8.076 5.115 ( -5.090 0.000 5.372) 7.400 5.216 ( 3.250 0.000 1.870) 3.749 5.423 ( -6.609 0.000 3.892) 7.670 5.537 ( 2.340 0.000 2.209) 3.218 5.585 ( 0.254 0.000 -9.857) 9.860 5.682 ( -5.334 0.000 -3.255) 6.249 5.724 ( -5.495 0.000 -6.509) 8.518 6.529 ( 6.737 0.000 10.204) 12.228 6.578 ( 11.174 0.000 4.795) 12.159 6.761 ( -3.787 0.000 13.106) 13.643 6.800 ( 9.132 0.000 9.225) 12.980 7.008 ( -9.043 0.000 2.383) 9.352 7.222 ( -9.613 0.000 10.462) 14.208 7.312 ( 11.657 0.000 -13.753) 18.029 7.678 ( -3.571 0.000 -10.359) 10.958 7.894 ( 1.022 0.000 -5.093) 5.195 7.982 ( -4.429 0.000 -1.156) 4.578 7.991 ( 3.166 0.000 -4.308) 5.346 8.148 ( -4.214 0.000 -6.140) 7.447 8.267 ( 8.389 0.000 5.717) 10.152 8.568 ( -4.027 0.000 2.867) 4.943 8.590 ( 7.140 0.000 -8.912) 11.420 8.711 ( 1.793 0.000 -5.976) 6.239 9.463 ( 2.086 0.000 3.756) 4.296 9.548 ( -1.164 0.000 1.205) 1.675 9.607 ( 2.574 0.000 -5.523) 6.093 9.715 ( -3.128 0.000 -9.635) 10.130 11.341 ( 1.155 0.000 8.350) 8.430 11.431 ( -3.827 0.000 4.863) 6.189 11.523 ( 0.743 0.000 -1.280) 1.480 11.539 ( -0.498 0.000 -0.248) 0.556 12.827 ( -0.066 0.000 2.119) 2.120 12.929 ( 1.444 0.000 -2.775) 3.128 12.973 ( -6.916 0.000 1.805) 7.148 13.068 ( -4.919 0.000 -2.975) 5.749 15.389 ( 0.374 0.000 7.416) 7.425 15.485 ( -4.455 0.000 11.226) 12.078 15.650 ( 3.476 0.000 -5.631) 6.617 15.900 ( -7.842 0.000 -8.188) 11.337 16.233 ( 7.148 0.000 8.148) 10.839 16.299 ( 5.337 0.000 2.818) 6.035 16.443 ( -1.726 0.000 2.719) 3.220 16.492 ( -4.401 0.000 4.700) 6.439 17.777 ( 11.057 0.000 7.757) 13.506 18.143 ( 0.077 0.000 -7.414) 7.414 18.328 ( -14.659 0.000 0.406) 14.664 18.333 ( -7.991 0.000 1.010) 8.054 19.401 ( 1.733 0.000 4.619) 4.933 19.437 ( 0.024 0.000 6.323) 6.323 19.541 ( 4.069 0.000 -4.127) 5.795 19.664 ( -1.756 0.000 -5.023) 5.321 21.645 ( 3.383 0.000 -1.432) 3.673 21.664 ( 2.283 0.000 -0.729) 2.397 21.779 ( -3.456 0.000 -6.040) 6.959 21.798 ( -4.213 0.000 -7.892) 8.946 22.454 ( 4.541 0.000 6.768) 8.150 22.640 ( -4.660 0.000 3.150) 5.624 22.738 ( 2.294 0.000 -6.523) 6.915 22.841 ( -2.690 0.000 -6.019) 6.593 ======================= Grid point 225 (78/108) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -13.570 0.000 -1.275) 13.630 2.211 ( 13.570 0.000 -1.275) 13.630 2.215 ( -9.775 0.000 -4.029) 10.573 2.215 ( 9.775 0.000 -4.029) 10.573 2.894 ( -6.040 0.000 -4.872) 7.760 2.894 ( 6.041 0.000 -4.872) 7.761 3.047 ( -1.255 0.000 -6.726) 6.842 3.047 ( 1.256 0.000 -6.726) 6.842 4.233 ( -6.328 0.000 5.234) 8.212 4.233 ( 6.328 0.000 5.234) 8.212 4.568 ( -8.932 0.000 -9.097) 12.748 4.568 ( 8.932 0.000 -9.097) 12.748 5.054 ( -1.615 0.000 7.766) 7.932 5.054 ( 1.615 0.000 7.766) 7.932 5.298 ( -5.605 0.000 2.667) 6.208 5.298 ( 5.605 0.000 2.667) 6.208 5.594 ( -3.778 0.000 -1.379) 4.022 5.594 ( 3.778 0.000 -1.379) 4.022 5.633 ( -4.050 0.000 -7.452) 8.482 5.633 ( 4.050 0.000 -7.452) 8.482 6.660 ( -6.393 0.000 11.557) 13.208 6.660 ( 6.393 0.000 11.557) 13.208 6.791 ( -10.296 0.000 4.005) 11.047 6.791 ( 10.296 0.000 4.005) 11.047 7.021 ( -10.409 0.000 10.593) 14.851 7.021 ( 10.409 0.000 10.593) 14.851 7.531 ( -10.554 0.000 -12.404) 16.287 7.531 ( 10.554 0.000 -12.405) 16.287 7.922 ( -2.058 0.000 -3.809) 4.329 7.922 ( 2.058 0.000 -3.809) 4.329 8.065 ( -4.300 0.000 -5.645) 7.096 8.065 ( 4.300 0.000 -5.645) 7.096 8.440 ( -8.657 0.000 5.994) 10.529 8.440 ( 8.657 0.000 5.994) 10.529 8.694 ( -3.423 0.000 -6.935) 7.734 8.694 ( 3.423 0.000 -6.935) 7.734 9.512 ( -2.544 0.000 1.993) 3.232 9.512 ( 2.545 0.000 1.993) 3.232 9.658 ( -2.809 0.000 -7.697) 8.193 9.658 ( 2.809 0.000 -7.697) 8.193 11.373 ( -2.280 0.000 7.083) 7.441 11.373 ( 2.280 0.000 7.083) 7.441 11.532 ( -0.332 0.000 -1.014) 1.067 11.532 ( 0.332 0.000 -1.014) 1.067 12.865 ( -4.039 0.000 2.248) 4.622 12.865 ( 4.039 0.000 2.248) 4.622 12.981 ( -3.842 0.000 -3.418) 5.142 12.981 ( 3.842 0.000 -3.418) 5.142 15.417 ( -2.544 0.000 9.034) 9.385 15.417 ( 2.544 0.000 9.034) 9.385 15.752 ( -6.937 0.000 -7.146) 9.959 15.752 ( 6.937 0.000 -7.146) 9.959 16.374 ( -7.221 0.000 7.734) 10.581 16.374 ( 7.221 0.000 7.734) 10.581 16.391 ( -3.907 0.000 3.490) 5.239 16.391 ( 3.907 0.000 3.490) 5.239 18.037 ( -15.105 0.000 2.673) 15.339 18.037 ( 15.105 0.000 2.673) 15.339 18.199 ( -5.415 0.000 -3.229) 6.304 18.199 ( 5.415 0.000 -3.229) 6.304 19.427 ( -0.990 0.000 5.813) 5.896 19.427 ( 0.990 0.000 5.813) 5.896 19.614 ( -3.346 0.000 -4.396) 5.524 19.614 ( 3.346 0.000 -4.396) 5.524 21.716 ( -3.055 0.000 -3.852) 4.916 21.716 ( 3.055 0.000 -3.852) 4.916 21.719 ( -4.095 0.000 -5.262) 6.668 21.719 ( 4.095 0.000 -5.262) 6.668 22.546 ( -4.958 0.000 5.017) 7.054 22.546 ( 4.958 0.000 5.017) 7.054 22.787 ( -2.812 0.000 -6.139) 6.752 22.787 ( 2.812 0.000 -6.139) 6.752 ======================= Grid point 231 (79/108) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -5.158 14.552) 15.439 2.109 ( 0.000 -15.854 23.648) 28.470 2.335 ( 0.000 4.799 -2.353) 5.344 2.566 ( 0.000 -1.886 11.263) 11.420 3.104 ( 0.000 4.403 9.653) 10.610 3.190 ( 0.000 2.979 -1.723) 3.442 3.404 ( 0.000 -0.937 -9.790) 9.835 3.506 ( 0.000 -3.625 -1.334) 3.862 4.299 ( 0.000 6.189 5.741) 8.442 4.385 ( 0.000 5.575 -1.390) 5.746 4.515 ( 0.000 -2.338 1.853) 2.983 4.753 ( 0.000 -10.482 0.478) 10.493 5.232 ( 0.000 4.940 5.283) 7.232 5.306 ( 0.000 0.168 10.350) 10.352 5.333 ( 0.000 10.038 11.896) 15.566 5.475 ( 0.000 3.192 3.415) 4.675 5.590 ( 0.000 2.953 7.384) 7.953 5.890 ( 0.000 3.093 1.404) 3.396 5.965 ( 0.000 2.756 -0.747) 2.856 6.061 ( 0.000 -8.107 4.009) 9.044 6.159 ( 0.000 -14.567 7.470) 16.371 6.301 ( 0.000 -9.935 -4.180) 10.779 6.305 ( 0.000 7.257 -11.977) 14.004 6.559 ( 0.000 -1.907 -6.281) 6.564 7.105 ( 0.000 10.142 0.893) 10.181 7.416 ( 0.000 12.617 -3.062) 12.984 7.514 ( 0.000 -1.348 5.502) 5.664 7.665 ( 0.000 -1.771 -2.822) 3.332 7.776 ( 0.000 -0.651 -1.498) 1.633 7.870 ( 0.000 -4.138 -6.243) 7.490 7.895 ( 0.000 -11.894 -6.285) 13.453 7.982 ( 0.000 10.806 1.389) 10.895 8.075 ( 0.000 -7.770 -13.649) 15.706 8.278 ( 0.000 5.475 -13.058) 14.159 8.332 ( 0.000 -2.034 1.506) 2.531 8.452 ( 0.000 -2.193 -2.884) 3.623 9.538 ( 0.000 2.529 3.356) 4.203 9.640 ( 0.000 -1.348 0.564) 1.461 9.722 ( 0.000 0.920 -7.592) 7.647 9.723 ( 0.000 0.952 -5.119) 5.206 11.393 ( 0.000 2.567 5.962) 6.491 11.518 ( 0.000 3.026 -1.374) 3.324 11.531 ( 0.000 -2.859 2.909) 4.079 11.668 ( 0.000 -2.875 -4.741) 5.545 13.000 ( 0.000 0.141 2.409) 2.413 13.137 ( 0.000 5.799 -4.601) 7.403 13.178 ( 0.000 -7.258 6.466) 9.721 13.349 ( 0.000 -2.591 -2.135) 3.357 15.535 ( 0.000 1.968 8.640) 8.862 15.710 ( 0.000 -3.806 10.610) 11.272 15.788 ( 0.000 3.813 -2.466) 4.541 15.874 ( 0.000 -0.928 -0.392) 1.008 15.992 ( 0.000 0.940 4.121) 4.227 16.075 ( 0.000 -2.306 11.459) 11.689 16.202 ( 0.000 10.616 -6.845) 12.631 16.664 ( 0.000 -7.964 -13.018) 15.261 18.246 ( 0.000 5.735 10.109) 11.623 18.534 ( 0.000 -5.676 4.661) 7.345 18.578 ( 0.000 1.972 -8.036) 8.274 18.689 ( 0.000 -2.642 -3.665) 4.518 19.248 ( 0.000 0.683 5.189) 5.234 19.288 ( 0.000 -0.830 6.013) 6.070 19.479 ( 0.000 1.246 -6.080) 6.206 19.533 ( 0.000 -0.981 -6.023) 6.103 21.693 ( 0.000 0.536 6.120) 6.143 21.740 ( 0.000 -1.237 9.714) 9.792 21.768 ( 0.000 3.382 2.339) 4.112 22.015 ( 0.000 -8.536 -2.045) 8.777 22.521 ( 0.000 8.577 -1.268) 8.670 22.662 ( 0.000 1.940 -6.953) 7.218 22.745 ( 0.000 -2.440 -4.884) 5.460 22.760 ( 0.000 -1.866 -5.432) 5.744 ======================= Grid point 232 (80/108) ======================= q-point: ( 0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.374 -8.402 18.206) 20.098 2.175 ( 5.888 -11.211 19.157) 22.964 2.332 ( -0.342 4.211 1.945) 4.651 2.595 ( 2.677 -0.513 8.694) 9.112 2.851 ( -12.638 4.910 1.501) 13.641 3.271 ( -9.755 -2.766 -17.068) 19.853 3.413 ( 0.546 -2.583 9.550) 9.908 3.555 ( 10.973 1.702 3.516) 11.648 4.128 ( -15.738 1.165 1.026) 15.814 4.225 ( -8.535 3.746 -10.404) 13.969 4.638 ( 7.338 -1.368 9.063) 11.741 4.867 ( 7.129 -3.868 0.377) 8.119 5.135 ( -8.898 5.672 11.110) 15.323 5.283 ( 0.493 -1.426 4.187) 4.450 5.377 ( -2.990 6.794 7.223) 10.357 5.391 ( -0.365 4.265 4.634) 6.308 5.606 ( -1.405 1.603 4.374) 4.866 5.860 ( -3.594 2.816 0.918) 4.657 5.984 ( 1.154 0.615 -0.182) 1.320 6.061 ( -0.424 -2.227 -1.249) 2.588 6.200 ( 3.409 -12.602 7.919) 15.269 6.235 ( -0.960 -2.452 -4.171) 4.933 6.386 ( 3.942 -0.144 -2.772) 4.822 6.572 ( 2.022 -1.022 -6.494) 6.878 7.120 ( 1.079 7.981 1.647) 8.220 7.343 ( -4.890 6.094 -4.219) 8.880 7.538 ( -2.181 -0.140 3.872) 4.446 7.612 ( -1.797 1.573 0.531) 2.447 7.740 ( -1.225 -4.719 -3.724) 6.135 7.864 ( 0.876 0.714 -3.661) 3.831 7.978 ( 5.841 -5.415 -3.128) 8.557 8.064 ( 6.744 2.226 -1.841) 7.336 8.164 ( 6.532 -6.004 -9.971) 13.346 8.302 ( 2.440 3.318 -12.805) 13.451 8.355 ( 2.955 0.071 -1.267) 3.215 8.439 ( -0.920 -0.867 -3.943) 4.141 9.523 ( -1.352 2.332 3.475) 4.398 9.623 ( -1.971 -1.265 0.901) 2.510 9.641 ( -3.780 0.997 -4.574) 6.017 9.786 ( 2.234 0.630 -7.892) 8.226 11.376 ( -1.563 2.225 6.387) 6.942 11.501 ( -0.999 1.392 -0.739) 1.866 11.538 ( 0.047 -2.502 2.461) 3.510 11.659 ( -1.143 -1.525 -4.067) 4.491 12.971 ( -2.820 -0.386 2.670) 3.903 13.106 ( -2.886 5.000 -3.430) 6.716 13.180 ( -0.168 -5.642 4.610) 7.287 13.322 ( -2.794 -2.360 -1.905) 4.124 15.511 ( -2.206 2.173 8.327) 8.884 15.698 ( -1.579 -3.920 11.946) 12.672 15.759 ( -2.625 3.666 -2.411) 5.113 15.904 ( 2.505 -1.168 -0.360) 2.787 15.976 ( 0.420 0.171 7.474) 7.488 16.175 ( 7.693 -0.398 3.807) 8.592 16.206 ( 1.303 8.824 -4.953) 10.202 16.624 ( -4.001 -7.112 -12.413) 14.855 18.053 ( -14.880 2.477 13.485) 20.233 18.469 ( -7.425 0.058 -7.858) 10.811 18.588 ( 1.722 -2.820 4.581) 5.648 18.780 ( 4.007 -0.251 -4.467) 6.006 19.237 ( 0.791 0.032 3.891) 3.971 19.332 ( 2.992 -0.282 6.454) 7.119 19.439 ( -2.027 0.609 -5.897) 6.266 19.589 ( 3.674 -0.356 -6.133) 7.158 21.653 ( -2.738 -0.187 6.635) 7.181 21.686 ( -3.443 1.197 7.683) 8.504 21.834 ( 3.397 0.918 1.993) 4.044 21.994 ( -1.814 -6.340 -4.057) 7.742 22.447 ( -5.608 5.146 0.532) 7.629 22.662 ( 0.483 1.451 -7.626) 7.778 22.751 ( 0.402 -2.183 -3.308) 3.984 22.827 ( 4.507 0.300 -5.681) 7.258 ======================= Grid point 233 (81/108) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -2.007 -9.533 18.656) 21.046 2.275 ( 1.031 4.015 14.553) 15.132 2.335 ( 3.113 -4.866 10.062) 11.602 2.641 ( 1.123 1.795 3.659) 4.228 2.697 ( -2.773 4.673 -6.771) 8.682 3.063 ( -9.709 -5.518 -16.168) 19.650 3.273 ( -11.664 -6.124 11.145) 17.256 3.717 ( -14.235 -4.042 1.047) 14.834 3.877 ( 7.113 3.354 -5.229) 9.444 4.146 ( 0.072 4.481 -14.234) 14.922 4.686 ( -3.678 -1.780 14.973) 15.521 4.964 ( 2.559 1.981 -0.825) 3.339 5.004 ( -2.679 5.719 6.092) 8.774 5.233 ( -5.992 2.800 -0.289) 6.621 5.294 ( -1.404 -7.097 6.212) 9.535 5.479 ( 3.694 7.059 9.152) 12.134 5.537 ( -3.147 1.396 -3.010) 4.573 5.760 ( -6.000 1.676 -1.009) 6.311 5.947 ( -4.349 2.069 -3.961) 6.235 6.031 ( -4.900 2.787 -4.469) 7.193 6.247 ( 3.559 -11.600 7.371) 14.198 6.300 ( 6.108 -0.769 7.903) 10.018 6.473 ( 5.241 2.060 -0.361) 5.643 6.658 ( 6.653 -0.606 -2.418) 7.105 7.121 ( -1.127 5.930 0.419) 6.051 7.295 ( -0.090 0.880 -4.541) 4.626 7.409 ( -8.160 -2.549 4.850) 9.829 7.584 ( -2.798 -4.619 -4.640) 7.119 7.800 ( 6.505 -0.595 1.876) 6.796 7.896 ( 1.894 4.858 -1.601) 5.454 8.067 ( 3.203 -1.116 -0.175) 3.397 8.167 ( 1.526 -4.447 0.006) 4.702 8.275 ( 6.124 -0.762 -5.899) 8.537 8.328 ( -0.341 1.993 -14.311) 14.453 8.443 ( 5.510 -0.072 -4.126) 6.884 8.495 ( 7.586 0.710 -7.480) 10.677 9.491 ( -1.977 1.837 4.776) 5.485 9.574 ( -1.926 -0.280 -1.324) 2.353 9.590 ( -1.983 -0.092 -1.076) 2.258 9.803 ( -0.558 0.205 -9.266) 9.285 11.346 ( -1.333 1.331 7.410) 7.646 11.492 ( 0.152 0.394 -0.822) 0.924 11.526 ( -1.317 -2.938 2.603) 4.141 11.619 ( -2.933 0.197 -2.284) 3.723 12.906 ( -3.636 -0.975 2.874) 4.736 13.039 ( -3.761 4.748 -2.777) 6.664 13.161 ( -1.941 -4.068 2.559) 5.184 13.244 ( -5.123 -1.740 -1.486) 5.611 15.463 ( -2.575 2.241 7.658) 8.385 15.642 ( -4.118 -3.608 13.726) 14.777 15.698 ( -3.336 3.496 -3.451) 5.938 15.956 ( 2.819 -2.043 0.790) 3.570 16.025 ( 4.132 0.496 5.056) 6.548 16.218 ( 1.263 6.448 -1.716) 6.790 16.365 ( 9.330 -0.174 -1.608) 9.469 16.528 ( -5.046 -5.088 -9.281) 11.725 17.785 ( -11.492 0.833 17.347) 20.825 18.319 ( -7.774 -0.539 -9.609) 12.371 18.574 ( -3.230 -1.347 5.717) 6.703 18.763 ( -5.633 0.552 -2.834) 6.330 19.292 ( 4.073 -0.006 1.598) 4.376 19.385 ( 2.406 -0.180 6.802) 7.217 19.426 ( 0.860 0.385 -5.249) 5.333 19.649 ( 2.394 -0.225 -6.057) 6.516 21.612 ( -1.595 0.362 6.025) 6.243 21.630 ( -1.606 0.031 6.318) 6.519 21.860 ( -0.881 -0.875 -3.790) 3.988 21.958 ( -2.116 -1.260 -7.231) 7.639 22.367 ( -1.864 1.628 5.085) 5.655 22.679 ( 1.152 1.082 -7.541) 7.705 22.748 ( -0.904 -1.570 -1.006) 2.072 22.887 ( 1.517 0.776 -5.938) 6.177 ======================= Grid point 234 (82/108) ======================= q-point: ( 0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.892 -6.800 10.931) 12.904 2.224 ( -4.062 9.770 12.925) 16.703 2.415 ( 2.324 -5.618 9.448) 11.235 2.633 ( -2.866 4.642 -2.985) 6.218 2.694 ( 2.091 1.426 -10.701) 10.996 2.960 ( -1.478 -8.952 -3.428) 9.699 3.033 ( -11.219 -10.401 -3.065) 15.602 3.342 ( -19.585 -1.794 -8.079) 21.262 4.037 ( 5.483 -1.234 -3.577) 6.662 4.242 ( 9.287 5.861 -10.391) 15.119 4.545 ( -9.011 0.145 14.057) 16.698 4.918 ( -4.498 5.164 -3.057) 7.500 5.052 ( 3.597 3.564 3.938) 6.414 5.163 ( -1.903 0.517 -0.855) 2.150 5.223 ( -4.408 -3.002 4.411) 6.921 5.447 ( -4.119 0.012 -1.246) 4.303 5.565 ( 1.886 1.120 3.001) 3.717 5.667 ( -3.396 5.689 1.071) 6.711 5.858 ( -4.427 0.560 -2.311) 5.025 5.885 ( -8.299 4.503 -4.577) 10.493 6.348 ( 6.485 -7.132 9.525) 13.551 6.433 ( 7.492 1.403 9.227) 11.968 6.594 ( 7.432 1.152 1.970) 7.774 6.773 ( 3.773 0.105 5.180) 6.409 7.101 ( -1.222 0.235 -1.516) 1.961 7.234 ( -6.005 1.176 -1.282) 6.252 7.317 ( -1.819 -2.467 -0.968) 3.214 7.545 ( -0.525 -10.946 -7.303) 13.169 7.910 ( 1.896 3.486 -3.119) 5.047 7.946 ( 5.517 3.035 3.739) 7.323 8.080 ( -2.970 0.068 -0.004) 2.971 8.173 ( 1.805 -2.415 2.422) 3.867 8.263 ( -2.778 3.898 -9.001) 10.194 8.450 ( 8.566 1.417 -10.266) 13.445 8.548 ( 4.029 -1.820 -2.588) 5.123 8.636 ( 6.079 0.315 -6.540) 8.934 9.454 ( -1.386 0.508 5.967) 6.146 9.557 ( -0.544 -0.718 0.843) 1.234 9.575 ( 0.915 0.659 -4.165) 4.315 9.770 ( -2.643 -0.166 -10.047) 10.390 11.331 ( -0.189 0.397 8.236) 8.248 11.479 ( -2.862 -2.297 3.184) 4.859 11.509 ( 0.688 0.021 -1.208) 1.391 11.562 ( -2.450 0.282 -0.535) 2.523 12.846 ( -2.297 -0.822 2.834) 3.739 12.974 ( -2.765 3.707 -2.521) 5.267 13.098 ( -4.837 -1.556 1.169) 5.214 13.139 ( -5.313 -1.763 -1.720) 5.856 15.420 ( -1.767 1.874 7.209) 7.655 15.553 ( -4.806 -2.606 13.040) 14.140 15.649 ( -1.353 2.240 -4.475) 5.184 15.985 ( -1.261 -1.906 -4.410) 4.967 16.116 ( 5.301 0.477 5.853) 7.911 16.245 ( 2.058 3.712 0.608) 4.288 16.435 ( -1.090 -3.456 -0.349) 3.641 16.522 ( 2.889 0.564 -1.978) 3.546 17.664 ( -0.215 0.188 15.173) 15.175 18.190 ( -5.092 -0.432 -9.573) 10.851 18.471 ( -7.131 -0.877 4.508) 8.482 18.593 ( -11.430 0.747 -1.457) 11.546 19.361 ( 2.869 0.229 2.436) 3.770 19.421 ( 1.336 -0.214 6.778) 6.912 19.468 ( 3.289 0.145 -4.422) 5.513 19.676 ( 0.353 -0.133 -5.647) 5.659 21.602 ( 0.875 0.286 3.518) 3.636 21.629 ( 1.132 -0.266 2.427) 2.691 21.820 ( -2.790 -1.390 -6.471) 7.183 21.898 ( -4.140 0.892 -9.176) 10.106 22.381 ( 2.854 0.228 7.602) 8.124 22.698 ( -0.452 -0.074 -1.860) 1.916 22.719 ( -0.876 0.030 -4.107) 4.200 22.885 ( -1.498 0.358 -5.843) 6.043 ======================= Grid point 235 (83/108) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 8.482 -4.185 2.390) 9.756 2.174 ( 0.181 8.014 3.999) 8.958 2.368 ( -7.456 -3.113 4.906) 9.453 2.511 ( -9.950 4.342 -4.669) 11.817 2.753 ( 3.125 -3.460 -5.680) 7.349 2.879 ( -3.931 -10.069 -5.909) 12.319 2.971 ( -0.103 -7.857 -5.756) 9.740 3.050 ( -8.474 -2.403 -12.330) 15.153 4.129 ( 4.927 -0.101 1.545) 5.165 4.377 ( -8.147 0.549 10.950) 13.660 4.437 ( 10.311 4.119 -10.335) 15.169 4.806 ( -7.449 6.715 -8.083) 12.881 5.086 ( -0.315 0.107 3.500) 3.516 5.115 ( -2.019 3.626 2.622) 4.909 5.216 ( 2.774 -0.986 0.893) 3.076 5.354 ( -4.822 -4.554 -3.948) 7.718 5.571 ( -1.049 0.341 1.685) 2.014 5.604 ( -3.368 8.936 6.552) 11.581 5.768 ( -2.299 4.780 -2.760) 5.979 5.802 ( -2.294 3.207 -2.387) 4.609 6.485 ( 7.413 -4.026 11.229) 14.045 6.576 ( 6.740 -1.921 10.976) 13.022 6.739 ( 5.815 -1.883 8.890) 10.789 6.792 ( 0.369 2.620 4.902) 5.570 7.011 ( -6.621 0.620 1.073) 6.736 7.142 ( -6.580 -5.587 6.764) 10.967 7.334 ( 5.496 0.522 -15.985) 16.912 7.540 ( -1.370 -11.160 -10.965) 15.705 7.921 ( 0.239 2.854 -1.107) 3.070 7.994 ( -4.181 1.062 -0.152) 4.316 8.047 ( 3.786 2.954 -1.646) 5.076 8.171 ( -2.977 1.757 -7.098) 7.895 8.294 ( 6.542 1.970 4.585) 8.228 8.549 ( -2.639 -1.174 1.956) 3.488 8.608 ( 6.162 1.105 -8.133) 10.263 8.714 ( 1.875 0.171 -6.207) 6.487 9.458 ( 1.819 -0.393 4.134) 4.534 9.542 ( -1.211 -0.468 1.196) 1.765 9.611 ( 2.368 0.326 -5.729) 6.208 9.712 ( -3.064 -0.254 -9.613) 10.092 11.337 ( 0.835 -0.262 8.261) 8.307 11.415 ( -3.251 -1.206 5.139) 6.200 11.523 ( 0.509 -0.025 -1.477) 1.563 11.533 ( -0.717 -0.508 -0.471) 0.997 12.829 ( 0.723 0.050 2.602) 2.701 12.938 ( -1.317 1.409 -1.555) 2.477 12.992 ( -4.969 1.114 -0.056) 5.093 13.048 ( -4.319 -1.791 -2.651) 5.374 15.400 ( -0.230 1.004 7.593) 7.662 15.469 ( -3.761 -1.427 11.018) 11.729 15.660 ( 2.733 0.845 -5.652) 6.334 15.891 ( -7.311 -0.740 -8.593) 11.306 16.231 ( 6.625 -0.155 7.896) 10.309 16.315 ( 4.774 1.344 2.892) 5.742 16.420 ( -1.286 -1.683 4.450) 4.928 16.507 ( -4.064 0.854 3.507) 5.435 17.777 ( 11.027 0.028 7.740) 13.473 18.141 ( 0.229 -0.182 -7.293) 7.299 18.307 ( -11.070 -0.918 1.739) 11.244 18.354 ( -11.545 0.967 -0.509) 11.597 19.403 ( 1.638 0.200 4.432) 4.729 19.435 ( 0.100 -0.169 6.505) 6.508 19.541 ( 4.035 0.044 -4.106) 5.757 19.663 ( -1.713 -0.054 -5.000) 5.285 21.642 ( 2.904 -0.263 -0.807) 3.025 21.666 ( 2.688 0.115 -1.212) 2.950 21.763 ( -3.114 -0.953 -6.106) 6.920 21.812 ( -4.514 0.720 -7.904) 9.131 22.456 ( 4.593 0.137 6.675) 8.104 22.638 ( -4.269 -0.139 3.369) 5.440 22.743 ( 1.976 0.395 -6.884) 7.173 22.841 ( -2.803 -0.009 -5.786) 6.430 ======================= Grid point 236 (84/108) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -10.089 -3.328 2.220) 10.853 2.151 ( 10.089 -3.328 2.220) 10.853 2.297 ( -8.842 5.803 -5.824) 12.073 2.297 ( 8.842 5.803 -5.824) 12.073 2.811 ( -3.191 -7.755 -4.618) 9.573 2.811 ( 3.192 -7.755 -4.618) 9.573 2.983 ( -1.682 -4.477 -9.113) 10.292 2.983 ( 1.682 -4.477 -9.113) 10.292 4.237 ( -6.410 0.325 6.782) 9.337 4.237 ( 6.410 0.325 6.782) 9.337 4.634 ( -10.046 5.141 -10.319) 15.291 4.634 ( 10.046 5.141 -10.319) 15.291 5.088 ( -0.992 2.843 3.865) 4.900 5.088 ( 0.992 2.843 3.865) 4.900 5.277 ( -3.391 -4.196 -3.031) 6.188 5.277 ( 3.391 -4.196 -3.031) 6.188 5.560 ( -0.927 5.638 5.237) 7.750 5.560 ( 0.927 5.638 5.237) 7.750 5.767 ( -1.338 4.758 -2.353) 5.474 5.767 ( 1.338 4.758 -2.353) 5.474 6.608 ( -4.296 -4.125 13.507) 14.762 6.608 ( 4.296 -4.125 13.507) 14.762 6.799 ( -4.303 -0.669 6.789) 8.066 6.799 ( 4.303 -0.669 6.789) 8.066 6.995 ( -6.772 0.024 2.891) 7.364 6.995 ( 6.772 0.024 2.891) 7.364 7.464 ( -6.364 -6.360 -14.585) 17.136 7.464 ( 6.364 -6.360 -14.585) 17.136 7.936 ( -1.692 1.787 -0.084) 2.462 7.936 ( 1.692 1.787 -0.084) 2.462 8.110 ( -3.129 2.940 -5.817) 7.230 8.110 ( 3.129 2.940 -5.817) 7.230 8.439 ( -7.582 -0.006 5.914) 9.616 8.439 ( 7.582 -0.006 5.914) 9.616 8.703 ( -3.005 0.640 -7.144) 7.777 8.703 ( 3.005 0.640 -7.144) 7.777 9.505 ( -2.557 -0.547 2.155) 3.389 9.505 ( 2.557 -0.547 2.155) 3.389 9.658 ( -2.577 -0.017 -7.852) 8.264 9.658 ( 2.577 -0.017 -7.852) 8.264 11.364 ( -2.022 -0.691 7.151) 7.464 11.364 ( 2.022 -0.691 7.151) 7.464 11.527 ( -0.109 -0.388 -1.130) 1.200 11.527 ( 0.109 -0.388 -1.130) 1.200 12.874 ( -3.858 0.757 2.126) 4.470 12.874 ( 3.858 0.757 2.126) 4.470 12.980 ( -2.460 -0.143 -3.252) 4.080 12.980 ( 2.460 -0.143 -3.252) 4.080 15.415 ( -1.828 -0.200 8.973) 9.160 15.415 ( 1.828 -0.200 8.973) 9.160 15.751 ( -6.489 -0.040 -7.410) 9.850 15.751 ( 6.489 -0.040 -7.410) 9.850 16.355 ( -5.433 -0.948 7.268) 9.124 16.355 ( 5.433 -0.948 7.268) 9.124 16.411 ( -4.850 1.040 4.243) 6.528 16.411 ( 4.850 1.040 4.243) 6.528 18.037 ( -14.964 -0.048 2.679) 15.202 18.037 ( 14.964 -0.048 2.679) 15.202 18.199 ( -5.622 0.059 -3.304) 6.521 18.199 ( 5.622 0.059 -3.304) 6.522 19.427 ( -0.863 0.006 5.819) 5.883 19.427 ( 0.863 0.006 5.819) 5.883 19.614 ( -3.317 0.001 -4.380) 5.494 19.614 ( 3.317 0.001 -4.380) 5.494 21.702 ( -3.155 -0.675 -4.025) 5.159 21.702 ( 3.155 -0.675 -4.025) 5.159 21.730 ( -3.879 0.466 -5.028) 6.367 21.730 ( 3.879 0.466 -5.028) 6.367 22.549 ( -4.901 0.168 4.957) 6.973 22.549 ( 4.901 0.168 4.957) 6.973 22.787 ( -2.656 0.035 -6.111) 6.664 22.787 ( 2.656 0.035 -6.111) 6.664 ======================= Grid point 242 (85/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 -3.090 21.292) 21.515 1.903 ( 0.000 3.090 21.292) 21.515 2.454 ( 0.000 -6.716 2.363) 7.119 2.454 ( 0.000 6.716 2.363) 7.119 3.192 ( 0.000 -1.264 4.431) 4.608 3.192 ( 0.000 1.264 4.431) 4.608 3.427 ( 0.000 -2.489 -4.644) 5.269 3.427 ( 0.000 2.489 -4.644) 5.269 4.440 ( 0.000 -4.168 0.504) 4.199 4.440 ( 0.000 4.168 0.504) 4.199 4.531 ( 0.000 -7.805 2.071) 8.075 4.531 ( 0.000 7.805 2.071) 8.075 5.290 ( 0.000 -1.465 5.754) 5.938 5.290 ( 0.000 1.465 5.754) 5.938 5.510 ( 0.000 -1.529 0.094) 1.532 5.510 ( 0.000 1.529 0.094) 1.532 5.770 ( 0.000 -17.607 21.204) 27.561 5.770 ( 0.000 17.607 21.204) 27.561 5.958 ( 0.000 -4.569 1.710) 4.878 5.958 ( 0.000 4.569 1.710) 4.878 6.095 ( 0.000 -9.609 -3.218) 10.133 6.095 ( 0.000 9.609 -3.218) 10.133 6.463 ( 0.000 -7.292 -8.072) 10.878 6.463 ( 0.000 7.292 -8.072) 10.878 7.378 ( 0.000 -12.980 0.580) 12.993 7.378 ( 0.000 12.980 0.580) 12.993 7.598 ( 0.000 -5.197 -4.132) 6.639 7.598 ( 0.000 5.197 -4.132) 6.639 7.755 ( 0.000 -0.276 -4.244) 4.253 7.755 ( 0.000 0.276 -4.244) 4.253 7.903 ( 0.000 -6.723 -10.894) 12.801 7.903 ( 0.000 6.723 -10.894) 12.801 8.206 ( 0.000 -9.918 2.073) 10.132 8.206 ( 0.000 9.918 2.073) 10.132 8.383 ( 0.000 -4.686 -6.609) 8.102 8.383 ( 0.000 4.686 -6.609) 8.102 9.597 ( 0.000 -2.931 2.110) 3.611 9.597 ( 0.000 2.931 2.110) 3.611 9.734 ( 0.000 -0.002 -6.282) 6.282 9.734 ( 0.000 0.002 -6.282) 6.282 11.461 ( 0.000 -3.804 4.181) 5.652 11.461 ( 0.000 3.804 4.181) 5.652 11.594 ( 0.000 -3.945 -3.035) 4.977 11.594 ( 0.000 3.945 -3.035) 4.977 13.050 ( 0.000 -4.658 5.808) 7.445 13.050 ( 0.000 4.658 5.808) 7.445 13.258 ( 0.000 -5.935 -4.878) 7.683 13.258 ( 0.000 5.935 -4.878) 7.683 15.614 ( 0.000 -5.245 11.504) 12.643 15.614 ( 0.000 5.245 11.504) 12.643 15.845 ( 0.000 -1.820 -1.031) 2.092 15.845 ( 0.000 1.820 -1.031) 2.092 16.025 ( 0.000 -1.576 7.154) 7.325 16.025 ( 0.000 1.576 7.154) 7.325 16.450 ( 0.000 -12.865 -11.318) 17.135 16.450 ( 0.000 12.865 -11.318) 17.135 18.390 ( 0.000 -6.341 7.594) 9.893 18.390 ( 0.000 6.341 7.594) 9.893 18.630 ( 0.000 -1.798 -5.773) 6.046 18.630 ( 0.000 1.798 -5.773) 6.046 19.267 ( 0.000 -0.700 5.745) 5.788 19.267 ( 0.000 0.700 5.745) 5.788 19.508 ( 0.000 -0.900 -6.112) 6.178 19.508 ( 0.000 0.900 -6.112) 6.178 21.712 ( 0.000 -0.982 7.732) 7.794 21.712 ( 0.000 0.982 7.732) 7.794 21.864 ( 0.000 -6.354 1.126) 6.453 21.864 ( 0.000 6.354 1.126) 6.453 22.668 ( 0.000 -5.018 -4.383) 6.663 22.668 ( 0.000 5.018 -4.383) 6.663 22.710 ( 0.000 -2.337 -5.810) 6.262 22.710 ( 0.000 2.337 -5.810) 6.262 ======================= Grid point 244 (86/108) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -3.011 0.000 23.303) 23.497 2.052 ( 8.882 0.000 17.925) 20.005 2.397 ( -1.780 0.000 6.162) 6.414 2.554 ( 5.941 -0.000 0.786) 5.992 2.909 ( -12.709 0.000 0.587) 12.723 3.247 ( -11.731 0.000 -16.547) 20.283 3.384 ( -1.754 0.000 11.530) 11.662 3.562 ( 11.767 0.000 3.844) 12.379 4.151 ( -18.338 0.000 1.349) 18.387 4.267 ( -8.544 0.000 -13.528) 16.001 4.624 ( 6.935 0.000 9.315) 11.613 4.818 ( 12.184 -0.000 1.625) 12.292 5.200 ( -5.952 0.000 4.889) 7.703 5.257 ( -4.388 -0.000 8.889) 9.913 5.418 ( -7.212 0.000 -0.604) 7.237 5.526 ( -0.239 -0.000 -0.831) 0.865 5.686 ( -3.679 0.000 14.997) 15.441 5.852 ( 6.112 0.000 14.775) 15.989 5.919 ( -3.729 0.000 -0.501) 3.762 6.060 ( -3.188 0.000 -1.542) 3.542 6.076 ( 4.944 -0.000 1.196) 5.087 6.141 ( 6.073 -0.000 3.835) 7.183 6.437 ( 0.696 0.000 -3.304) 3.377 6.541 ( 5.490 0.000 -10.210) 11.592 7.266 ( -4.823 0.000 1.633) 5.092 7.443 ( -1.740 -0.000 3.129) 3.580 7.461 ( -7.587 0.000 -12.203) 14.370 7.605 ( -3.962 0.000 -2.120) 4.494 7.706 ( 1.978 0.000 -0.690) 2.094 7.862 ( 7.101 -0.000 -0.361) 7.110 7.929 ( 5.894 -0.000 -11.944) 13.319 8.057 ( 6.499 0.000 -4.370) 7.832 8.151 ( 0.754 0.000 -0.446) 0.876 8.321 ( 6.857 0.000 -1.060) 6.939 8.386 ( -0.254 0.000 -9.485) 9.488 8.390 ( 1.730 -0.000 -5.747) 6.001 9.572 ( -1.583 0.000 1.045) 1.896 9.587 ( -1.794 -0.000 3.968) 4.355 9.654 ( -3.946 0.000 -4.993) 6.364 9.794 ( 1.989 0.000 -7.634) 7.889 11.417 ( -2.627 0.000 4.763) 5.440 11.485 ( 0.599 -0.000 4.307) 4.348 11.530 ( -2.684 0.000 -1.679) 3.166 11.636 ( 0.725 0.000 -3.894) 3.960 12.981 ( -4.101 0.000 5.615) 6.954 13.090 ( 1.185 -0.000 5.333) 5.463 13.209 ( -3.592 -0.000 -5.645) 6.691 13.256 ( -1.498 0.000 -3.489) 3.797 15.573 ( -2.817 -0.000 9.842) 10.237 15.618 ( -0.991 0.000 13.552) 13.588 15.802 ( -2.503 0.000 -1.459) 2.897 15.887 ( 2.139 0.000 -0.682) 2.245 15.979 ( 0.447 0.000 8.386) 8.398 16.166 ( 9.052 0.000 2.527) 9.398 16.397 ( -2.424 0.000 -7.923) 8.286 16.460 ( -1.553 -0.000 -12.435) 12.531 18.086 ( -16.899 -0.000 12.913) 21.268 18.470 ( -8.336 0.000 -7.355) 11.116 18.550 ( 3.789 0.000 6.123) 7.201 18.777 ( 4.945 0.000 -5.644) 7.504 19.237 ( 0.523 0.000 4.253) 4.285 19.328 ( 3.174 0.000 6.450) 7.189 19.446 ( -2.217 0.000 -5.955) 6.355 19.585 ( 3.842 0.000 -6.154) 7.254 21.652 ( -2.868 0.000 6.913) 7.484 21.700 ( -3.459 0.000 8.803) 9.458 21.872 ( -0.362 -0.000 -2.529) 2.555 21.895 ( 3.403 0.000 0.594) 3.454 22.507 ( -8.338 0.000 -1.656) 8.500 22.690 ( -0.002 -0.000 -8.459) 8.459 22.714 ( 1.126 0.000 -1.576) 1.937 22.829 ( 5.620 0.000 -6.095) 8.290 ======================= Grid point 246 (87/108) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -1.097 0.000 20.972) 21.001 2.224 ( 8.390 0.000 15.029) 17.212 2.377 ( -0.716 0.000 11.639) 11.661 2.670 ( 5.773 -0.000 1.712) 6.022 2.741 ( -4.191 0.000 -5.679) 7.058 3.002 ( -13.013 -0.000 -24.063) 27.356 3.183 ( -16.277 0.000 14.710) 21.939 3.673 ( -11.561 0.000 4.033) 12.245 3.911 ( 2.445 0.000 -8.239) 8.594 4.198 ( 1.578 0.000 -15.804) 15.883 4.667 ( -2.876 0.000 15.648) 15.910 4.989 ( 5.716 -0.000 -1.320) 5.867 5.098 ( -4.156 0.000 5.538) 6.924 5.188 ( -1.960 -0.000 6.863) 7.138 5.272 ( -6.889 -0.000 -0.528) 6.909 5.511 ( -1.404 -0.000 -3.661) 3.921 5.635 ( -2.242 0.000 8.043) 8.349 5.825 ( -4.443 0.000 -1.518) 4.695 5.912 ( -3.286 0.000 7.121) 7.843 6.048 ( -0.180 -0.000 5.753) 5.756 6.083 ( 1.703 -0.000 -3.119) 3.553 6.292 ( 8.301 0.000 10.117) 13.087 6.511 ( 6.253 0.000 0.695) 6.291 6.667 ( 7.198 0.000 -9.651) 12.039 7.203 ( -2.249 0.000 5.275) 5.734 7.339 ( -4.452 0.000 -9.708) 10.680 7.349 ( -6.853 -0.000 3.795) 7.834 7.473 ( -6.935 -0.000 -7.730) 10.385 7.841 ( 8.185 0.000 1.758) 8.372 8.000 ( 7.002 -0.000 1.605) 7.183 8.010 ( 1.946 -0.000 -3.434) 3.947 8.075 ( -1.173 0.000 1.953) 2.278 8.288 ( 9.407 0.000 -7.169) 11.828 8.367 ( -1.604 0.000 -13.149) 13.247 8.429 ( 4.896 0.000 -3.197) 5.847 8.494 ( 8.137 0.000 -7.027) 10.752 9.530 ( -3.868 0.000 6.063) 7.192 9.548 ( -0.666 -0.000 0.492) 0.828 9.596 ( -1.915 -0.000 -3.968) 4.406 9.805 ( -0.846 0.000 -8.940) 8.980 11.367 ( -2.265 0.000 6.366) 6.757 11.482 ( -0.960 -0.000 4.342) 4.447 11.502 ( -0.302 0.000 -1.361) 1.395 11.619 ( -2.326 0.000 -3.063) 3.846 12.900 ( -4.045 0.000 5.046) 6.467 13.093 ( -0.913 0.000 4.096) 4.197 13.128 ( -4.592 -0.000 -5.875) 7.457 13.203 ( -3.869 0.000 -1.956) 4.335 15.513 ( -3.219 -0.000 8.087) 8.704 15.576 ( -3.158 0.000 14.845) 15.177 15.742 ( -3.716 0.000 -3.005) 4.779 15.931 ( 2.554 0.000 0.634) 2.632 16.030 ( 4.163 0.000 5.407) 6.823 16.324 ( 4.681 0.000 0.426) 4.700 16.393 ( -4.974 -0.000 -10.548) 11.662 16.408 ( 5.676 0.000 -4.549) 7.274 17.796 ( -12.169 -0.000 17.208) 21.076 18.312 ( -7.849 -0.000 -9.051) 11.980 18.557 ( -2.678 0.000 6.310) 6.855 18.769 ( -5.421 0.000 -3.695) 6.560 19.292 ( 4.213 0.000 1.597) 4.505 19.383 ( 2.416 0.000 6.954) 7.362 19.431 ( 0.696 0.000 -5.290) 5.335 19.647 ( 2.458 0.000 -6.032) 6.514 21.617 ( -0.695 0.000 4.971) 5.019 21.630 ( -2.883 -0.000 8.046) 8.547 21.848 ( -1.906 0.000 -5.491) 5.812 21.944 ( 0.616 0.000 -5.310) 5.346 22.387 ( -3.410 0.000 3.922) 5.197 22.700 ( 0.845 -0.000 -9.219) 9.258 22.722 ( -0.374 0.000 1.190) 1.247 22.897 ( 1.424 0.000 -6.213) 6.374 ======================= Grid point 248 (88/108) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 2.564 0.000 12.326) 12.590 2.349 ( 3.766 0.000 13.940) 14.440 2.358 ( -1.425 -0.000 11.714) 11.800 2.727 ( -4.217 -0.000 13.412) 14.059 2.731 ( 0.210 0.000 -15.312) 15.314 2.796 ( -5.452 0.000 -18.104) 18.907 2.880 ( -9.561 0.000 -4.004) 10.366 3.319 ( -20.029 0.000 -10.396) 22.566 4.028 ( 5.690 0.000 -3.177) 6.517 4.305 ( 8.269 0.000 -12.404) 14.908 4.547 ( -8.272 0.000 15.944) 17.962 5.020 ( -2.826 -0.000 -5.793) 6.445 5.051 ( -0.665 0.000 4.312) 4.363 5.179 ( -2.656 -0.000 -1.851) 3.238 5.183 ( 0.965 0.000 4.759) 4.855 5.452 ( -5.394 -0.000 -6.059) 8.112 5.601 ( -0.647 0.000 6.683) 6.714 5.774 ( -1.206 -0.000 1.368) 1.823 5.830 ( -3.608 0.000 4.403) 5.692 5.916 ( -7.990 -0.000 -0.053) 7.990 6.245 ( 9.818 0.000 8.130) 12.747 6.436 ( 6.532 0.000 13.462) 14.963 6.637 ( 6.324 0.000 2.057) 6.650 6.794 ( 5.303 0.000 -6.431) 8.335 7.126 ( -5.648 0.000 6.018) 8.254 7.202 ( -7.858 -0.000 3.192) 8.482 7.327 ( 2.366 0.000 -7.357) 7.729 7.373 ( -3.410 -0.000 -13.058) 13.496 7.965 ( 3.635 -0.000 0.349) 3.652 8.023 ( 0.978 -0.000 1.956) 2.186 8.042 ( -2.155 0.000 -0.244) 2.168 8.128 ( 6.128 0.000 3.959) 7.296 8.314 ( -2.717 0.000 -10.128) 10.487 8.472 ( 8.765 0.000 -9.421) 12.868 8.522 ( 3.799 0.000 -2.473) 4.533 8.637 ( 6.044 0.000 -6.665) 8.997 9.462 ( -2.501 0.000 6.629) 7.086 9.547 ( 0.080 -0.000 0.662) 0.667 9.583 ( 0.669 -0.000 -4.393) 4.443 9.768 ( -2.817 0.000 -9.822) 10.218 11.337 ( -0.832 0.000 7.772) 7.816 11.451 ( -2.215 -0.000 4.343) 4.875 11.510 ( 0.771 0.000 -1.597) 1.773 11.563 ( -2.863 0.000 -1.335) 3.158 12.838 ( -2.143 0.000 4.191) 4.707 13.043 ( -4.003 0.000 -5.588) 6.874 13.055 ( -2.994 -0.000 2.528) 3.919 13.115 ( -5.095 0.000 -1.122) 5.217 15.457 ( -2.569 -0.000 6.859) 7.324 15.508 ( -3.687 0.000 13.888) 14.369 15.677 ( -2.367 0.000 -4.317) 4.923 15.962 ( -0.668 0.000 -4.295) 4.346 16.120 ( 5.145 0.000 5.509) 7.538 16.309 ( -2.186 0.000 -3.629) 4.236 16.376 ( 2.156 -0.000 3.691) 4.274 16.527 ( 3.520 0.000 -2.298) 4.204 17.666 ( -0.443 -0.000 15.181) 15.187 18.185 ( -4.936 -0.000 -9.255) 10.489 18.461 ( -6.989 0.000 4.872) 8.520 18.602 ( -11.343 0.000 -2.080) 11.532 19.364 ( 2.966 0.000 2.081) 3.623 19.419 ( 1.298 0.000 7.112) 7.229 19.470 ( 3.179 0.000 -4.403) 5.431 19.675 ( 0.411 0.000 -5.614) 5.629 21.607 ( 0.432 0.000 4.243) 4.265 21.625 ( 1.413 -0.000 1.970) 2.424 21.804 ( -2.562 0.000 -6.552) 7.035 21.907 ( -3.934 0.000 -9.324) 10.120 22.384 ( 2.557 0.000 7.458) 7.884 22.697 ( -2.287 0.000 2.628) 3.484 22.720 ( 1.235 0.000 -8.516) 8.605 22.890 ( -1.805 0.000 -5.763) 6.039 ======================= Grid point 250 (89/108) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 9.331 0.000 3.961) 10.137 2.312 ( -8.310 0.000 12.435) 14.956 2.328 ( -0.693 -0.000 -0.987) 1.206 2.551 ( -7.803 0.000 3.318) 8.479 2.678 ( -1.368 0.000 -12.323) 12.399 2.796 ( -6.914 -0.000 -5.070) 8.574 2.848 ( 5.134 0.000 -9.141) 10.484 3.017 ( -8.261 0.000 -16.514) 18.465 4.129 ( 5.269 0.000 2.506) 5.834 4.384 ( -8.271 0.000 12.714) 15.168 4.485 ( 10.373 0.000 -11.745) 15.670 4.902 ( -8.933 0.000 -9.729) 13.208 5.068 ( 2.289 -0.000 1.526) 2.751 5.164 ( 0.791 -0.000 -3.261) 3.355 5.187 ( -1.153 0.000 1.496) 1.889 5.313 ( -7.789 -0.000 -4.791) 9.144 5.627 ( 3.218 0.000 7.899) 8.530 5.763 ( -0.193 -0.000 2.975) 2.981 5.780 ( -2.440 0.000 2.212) 3.293 5.794 ( -4.167 0.000 5.007) 6.514 6.428 ( 8.805 0.000 10.769) 13.911 6.537 ( 3.793 0.000 16.659) 17.086 6.735 ( 3.433 0.000 7.540) 8.284 6.835 ( -1.590 0.000 0.929) 1.842 7.033 ( -3.013 0.000 0.774) 3.111 7.079 ( -4.363 -0.000 -0.994) 4.475 7.344 ( 0.343 0.000 -17.059) 17.062 7.372 ( 1.349 0.000 -10.279) 10.368 7.970 ( -1.003 -0.000 2.022) 2.258 7.994 ( -2.496 0.000 0.320) 2.517 8.080 ( 3.498 -0.000 -0.977) 3.632 8.192 ( -1.129 0.000 -6.790) 6.884 8.317 ( 4.841 0.000 3.989) 6.273 8.536 ( -2.630 0.000 1.845) 3.213 8.621 ( 6.475 0.000 -8.382) 10.591 8.716 ( 2.052 0.000 -6.498) 6.814 9.453 ( 1.513 0.000 4.529) 4.775 9.536 ( -1.236 -0.000 1.191) 1.717 9.615 ( 2.172 -0.000 -5.944) 6.328 9.709 ( -3.008 0.000 -9.590) 10.051 11.334 ( 0.470 0.000 8.164) 8.177 11.401 ( -2.759 -0.000 5.415) 6.077 11.522 ( 0.353 0.000 -1.658) 1.695 11.526 ( -0.882 0.000 -0.698) 1.125 12.828 ( 1.247 0.000 3.070) 3.313 12.979 ( -4.922 0.000 1.654) 5.192 12.985 ( -1.850 -0.000 -4.633) 4.988 13.024 ( -3.787 -0.000 -1.590) 4.107 15.418 ( -1.287 -0.000 7.109) 7.225 15.445 ( -2.653 0.000 11.508) 11.809 15.671 ( 1.979 0.000 -5.657) 5.993 15.881 ( -6.754 0.000 -9.060) 11.300 16.229 ( 6.241 0.000 7.805) 9.993 16.335 ( 3.850 0.000 2.329) 4.500 16.398 ( -0.423 0.000 5.943) 5.958 16.516 ( -3.901 0.000 3.039) 4.945 17.778 ( 10.997 0.000 7.724) 13.439 18.139 ( 0.384 -0.000 -7.185) 7.195 18.297 ( -10.707 0.000 2.142) 10.919 18.364 ( -11.878 0.000 -1.087) 11.928 19.406 ( 1.536 0.000 4.152) 4.427 19.432 ( 0.183 0.000 6.779) 6.782 19.542 ( 4.002 0.000 -4.087) 5.720 19.662 ( -1.669 0.000 -4.977) 5.249 21.639 ( 2.573 0.000 -0.353) 2.597 21.667 ( 2.942 0.000 -1.521) 3.311 21.752 ( -2.870 0.000 -5.996) 6.647 21.820 ( -4.714 0.000 -8.096) 9.368 22.458 ( 4.645 0.000 6.583) 8.056 22.636 ( -3.940 0.000 3.580) 5.324 22.748 ( 1.729 0.000 -7.255) 7.458 22.841 ( -2.926 0.000 -5.537) 6.262 ======================= Grid point 252 (90/108) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -11.491 -0.000 5.118) 12.579 2.110 ( 11.491 0.000 5.118) 12.579 2.389 ( -7.726 -0.000 -8.190) 11.259 2.389 ( 7.726 0.000 -8.190) 11.259 2.688 ( -2.441 -0.000 -2.992) 3.862 2.688 ( 2.442 0.000 -2.992) 3.862 2.934 ( -3.591 0.000 -11.589) 12.133 2.934 ( 3.591 0.000 -11.589) 12.133 4.241 ( -6.619 0.000 8.032) 10.408 4.241 ( 6.619 0.000 8.032) 10.408 4.698 ( -11.565 0.000 -11.744) 16.483 4.698 ( 11.565 0.000 -11.744) 16.483 5.133 ( -4.024 -0.000 0.120) 4.026 5.133 ( 4.024 -0.000 0.120) 4.026 5.203 ( -3.423 0.000 -3.279) 4.740 5.203 ( 3.423 0.000 -3.279) 4.740 5.704 ( -4.335 -0.000 6.186) 7.553 5.704 ( 4.335 -0.000 6.186) 7.553 5.765 ( -0.492 0.000 3.796) 3.828 5.765 ( 0.492 0.000 3.796) 3.828 6.553 ( -3.116 -0.000 15.486) 15.796 6.553 ( 3.116 0.000 15.486) 15.796 6.778 ( -2.405 0.000 8.651) 8.979 6.778 ( 2.405 0.000 8.651) 8.979 7.025 ( -1.655 0.000 -4.471) 4.767 7.025 ( 1.655 0.000 -4.471) 4.767 7.368 ( -1.416 0.000 -15.467) 15.532 7.368 ( 1.416 0.000 -15.467) 15.532 7.962 ( -0.548 0.000 1.858) 1.937 7.962 ( 0.548 0.000 1.858) 1.937 8.142 ( -3.053 0.000 -5.452) 6.249 8.142 ( 3.053 0.000 -5.452) 6.249 8.439 ( -6.600 0.000 5.733) 8.742 8.439 ( 6.600 0.000 5.733) 8.742 8.710 ( -2.614 0.000 -7.332) 7.784 8.710 ( 2.614 0.000 -7.332) 7.784 9.499 ( -2.582 0.000 2.314) 3.467 9.499 ( 2.582 0.000 2.314) 3.467 9.658 ( -2.359 0.000 -8.003) 8.344 9.658 ( 2.359 0.000 -8.003) 8.344 11.356 ( -1.776 0.000 7.219) 7.434 11.356 ( 1.776 -0.000 7.219) 7.434 11.523 ( -0.160 -0.000 -1.245) 1.255 11.523 ( 0.160 -0.000 -1.245) 1.255 12.884 ( -4.354 0.000 2.003) 4.792 12.884 ( 4.354 0.000 2.003) 4.792 12.977 ( -1.086 -0.000 -3.085) 3.271 12.977 ( 1.086 0.000 -3.085) 3.271 15.412 ( -0.703 0.000 8.913) 8.940 15.412 ( 0.703 0.000 8.913) 8.940 15.751 ( -6.011 0.000 -7.674) 9.748 15.751 ( 6.011 0.000 -7.674) 9.748 16.345 ( -5.069 0.000 7.619) 9.151 16.345 ( 5.069 0.000 7.619) 9.151 16.422 ( -4.975 0.000 4.179) 6.497 16.422 ( 4.975 0.000 4.179) 6.497 18.036 ( -14.832 0.000 2.685) 15.073 18.036 ( 14.832 0.000 2.685) 15.073 18.200 ( -5.837 0.000 -3.379) 6.745 18.200 ( 5.837 0.000 -3.379) 6.745 19.427 ( -0.713 0.000 5.826) 5.870 19.427 ( 0.713 0.000 5.826) 5.870 19.614 ( -3.288 0.000 -4.364) 5.464 19.614 ( 3.288 0.000 -4.364) 5.464 21.694 ( -3.024 0.000 -3.830) 4.880 21.694 ( 3.024 0.000 -3.830) 4.880 21.735 ( -3.981 0.000 -5.163) 6.519 21.735 ( 3.981 0.000 -5.163) 6.519 22.551 ( -4.844 0.000 4.898) 6.888 22.551 ( 4.844 0.000 4.898) 6.888 22.788 ( -2.490 0.000 -6.084) 6.574 22.788 ( 2.490 0.000 -6.084) 6.574 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.000 0.000 -6.394) 6.394 2.182 ( 0.000 0.000 6.394) 6.394 2.699 ( 0.000 0.000 -5.066) 5.066 2.699 ( 0.000 0.000 5.066) 5.066 3.134 ( 0.000 0.000 -10.479) 10.479 3.134 ( 0.000 0.000 10.479) 10.479 3.339 ( 0.000 0.000 -15.304) 15.304 3.339 ( 0.000 0.000 15.304) 15.304 4.294 ( 0.000 0.000 -1.417) 1.417 4.294 ( 0.000 0.000 1.417) 1.417 4.735 ( 0.000 0.000 -11.262) 11.262 4.735 ( 0.000 0.000 11.262) 11.262 5.296 ( 0.000 0.000 -2.817) 2.817 5.296 ( 0.000 0.000 2.817) 2.817 5.475 ( 0.000 0.000 -3.842) 3.842 5.475 ( 0.000 0.000 3.842) 3.842 5.814 ( 0.000 0.000 -15.516) 15.516 5.814 ( 0.000 0.000 15.516) 15.516 5.970 ( 0.000 0.000 -9.859) 9.859 5.970 ( 0.000 0.000 9.859) 9.859 6.268 ( 0.000 0.000 -5.622) 5.622 6.268 ( 0.000 0.000 5.622) 5.622 6.362 ( 0.000 0.000 -2.407) 2.407 6.362 ( 0.000 0.000 2.407) 2.407 7.223 ( 0.000 0.000 -2.950) 2.950 7.223 ( 0.000 0.000 2.950) 2.950 7.618 ( 0.000 0.000 -3.478) 3.478 7.618 ( 0.000 0.000 3.478) 3.478 7.834 ( 0.000 0.000 -3.456) 3.456 7.834 ( 0.000 0.000 3.456) 3.456 7.922 ( 0.000 0.000 -4.192) 4.192 7.922 ( 0.000 0.000 4.192) 4.192 7.977 ( 0.000 0.000 -3.293) 3.293 7.977 ( 0.000 0.000 3.293) 3.293 8.411 ( 0.000 0.000 -4.117) 4.117 8.411 ( 0.000 0.000 4.117) 4.117 9.590 ( 0.000 0.000 -4.504) 4.504 9.590 ( 0.000 0.000 4.504) 4.504 9.660 ( 0.000 0.000 -1.085) 1.085 9.660 ( 0.000 0.000 1.085) 1.085 11.455 ( 0.000 0.000 -2.542) 2.542 11.455 ( 0.000 0.000 2.542) 2.542 11.614 ( 0.000 0.000 -3.137) 3.137 11.614 ( 0.000 0.000 3.137) 3.137 13.022 ( 0.000 0.000 -0.186) 0.186 13.022 ( 0.000 0.000 0.186) 0.186 13.347 ( 0.000 0.000 -2.338) 2.338 13.347 ( 0.000 0.000 2.338) 2.338 15.640 ( 0.000 0.000 -5.424) 5.424 15.640 ( 0.000 0.000 5.424) 5.424 15.857 ( 0.000 0.000 -2.673) 2.673 15.857 ( 0.000 0.000 2.673) 2.673 16.036 ( 0.000 0.000 -2.296) 2.296 16.036 ( 0.000 0.000 2.296) 2.296 16.432 ( 0.000 0.000 -17.439) 17.439 16.432 ( 0.000 0.000 17.439) 17.439 18.382 ( 0.000 0.000 -8.948) 8.948 18.382 ( 0.000 0.000 8.948) 8.948 18.659 ( 0.000 0.000 -3.223) 3.223 18.659 ( 0.000 0.000 3.223) 3.223 19.347 ( 0.000 0.000 -5.740) 5.740 19.347 ( 0.000 0.000 5.740) 5.740 19.420 ( 0.000 0.000 -6.259) 6.259 19.420 ( 0.000 0.000 6.259) 6.259 21.754 ( 0.000 0.000 -0.873) 0.873 21.754 ( 0.000 0.000 0.873) 0.873 21.961 ( 0.000 0.000 -9.874) 9.874 21.961 ( 0.000 0.000 9.874) 9.874 22.503 ( 0.000 0.000 -6.129) 6.129 22.503 ( 0.000 0.000 6.129) 6.129 22.720 ( 0.000 0.000 -0.010) 0.010 22.720 ( 0.000 0.000 0.010) 0.010 ======================= Grid point 277 (92/108) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.757 0.000 -5.548) 6.701 2.220 ( 3.757 0.000 5.548) 6.701 2.686 ( -2.715 0.000 -6.983) 7.492 2.686 ( -2.715 0.000 6.983) 7.492 2.928 ( -12.602 0.000 -19.939) 23.588 2.928 ( -12.602 0.000 19.939) 23.588 3.524 ( 11.558 0.000 -3.702) 12.136 3.524 ( 11.558 0.000 3.702) 12.136 4.100 ( -16.046 0.000 -0.991) 16.077 4.100 ( -16.046 0.000 0.991) 16.077 4.834 ( 6.695 0.000 -7.614) 10.139 4.834 ( 6.695 0.000 7.614) 10.139 5.303 ( -7.047 0.000 -1.639) 7.235 5.303 ( -7.047 0.000 1.639) 7.235 5.386 ( 1.252 0.000 -3.860) 4.058 5.386 ( 1.252 0.000 3.860) 4.058 5.777 ( -10.404 0.000 -13.434) 16.991 5.777 ( -10.404 0.000 13.434) 16.991 5.907 ( 0.872 0.000 -6.189) 6.250 5.907 ( 0.872 0.000 6.189) 6.250 6.335 ( 4.219 0.000 -9.921) 10.781 6.335 ( 4.219 0.000 9.921) 10.781 6.423 ( 5.669 0.000 -1.427) 5.846 6.423 ( 5.669 0.000 1.427) 5.846 7.209 ( -1.026 0.000 -4.940) 5.045 7.209 ( -1.026 0.000 4.940) 5.045 7.594 ( -1.813 0.000 -1.514) 2.362 7.594 ( -1.813 0.000 1.514) 2.362 7.834 ( -2.316 0.000 -8.924) 9.219 7.834 ( -2.316 0.000 8.924) 9.220 7.909 ( 5.468 0.000 -1.261) 5.611 7.909 ( 5.468 0.000 1.260) 5.611 8.144 ( 11.519 0.000 -1.877) 11.671 8.144 ( 11.519 0.000 1.877) 11.671 8.376 ( -3.463 0.000 -3.568) 4.972 8.376 ( -3.463 0.000 3.568) 4.972 9.564 ( -2.037 0.000 -2.587) 3.293 9.564 ( -2.037 0.000 2.587) 3.293 9.668 ( 0.167 0.000 -3.225) 3.229 9.668 ( 0.167 0.000 3.225) 3.229 11.449 ( -0.510 0.000 -2.836) 2.881 11.449 ( -0.510 0.000 2.836) 2.881 11.611 ( -0.482 0.000 -2.494) 2.540 11.611 ( -0.482 0.000 2.494) 2.540 13.000 ( -2.242 0.000 -0.069) 2.243 13.000 ( -2.242 0.000 0.069) 2.243 13.322 ( -2.643 0.000 -1.889) 3.249 13.322 ( -2.643 0.000 1.889) 3.249 15.610 ( -2.640 0.000 -5.341) 5.958 15.610 ( -2.640 0.000 5.341) 5.958 15.884 ( 2.214 0.000 -3.473) 4.119 15.884 ( 2.214 0.000 3.473) 4.119 16.064 ( 2.560 0.000 -2.445) 3.540 16.064 ( 2.560 0.000 2.445) 3.540 16.411 ( -1.564 0.000 -14.808) 14.890 16.411 ( -1.564 0.000 14.808) 14.890 18.270 ( -9.255 0.000 -10.988) 14.366 18.270 ( -9.255 0.000 10.988) 14.366 18.706 ( 2.408 0.000 -4.402) 5.017 18.706 ( 2.408 0.000 4.402) 5.017 19.321 ( -1.035 0.000 -4.999) 5.105 19.321 ( -1.035 0.000 4.999) 5.105 19.466 ( 3.299 0.000 -6.565) 7.347 19.466 ( 3.299 0.000 6.565) 7.347 21.739 ( -1.414 0.000 -0.606) 1.539 21.739 ( -1.414 0.000 0.606) 1.539 21.924 ( -3.718 0.000 -6.672) 7.639 21.924 ( -3.718 0.000 6.672) 7.639 22.490 ( -0.537 0.000 -7.154) 7.175 22.490 ( -0.537 0.000 7.154) 7.175 22.754 ( 2.533 0.000 -1.223) 2.812 22.754 ( 2.533 0.000 1.223) 2.812 ======================= Grid point 279 (93/108) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 4.412 0.000 -0.055) 4.413 2.309 ( 4.412 0.000 0.055) 4.413 2.506 ( -13.517 0.000 -2.889) 13.822 2.506 ( -13.517 0.000 2.889) 13.822 2.815 ( -0.520 0.000 -14.793) 14.802 2.815 ( -0.520 0.000 14.793) 14.802 3.606 ( -11.072 0.000 -12.400) 16.623 3.606 ( -11.072 0.000 12.400) 16.623 3.878 ( 1.760 0.000 -7.670) 7.870 3.878 ( 1.760 0.000 7.670) 7.870 4.904 ( -1.900 0.000 -4.515) 4.898 4.904 ( -1.900 0.000 4.515) 4.898 5.125 ( -5.336 0.000 -8.668) 10.179 5.125 ( -5.336 0.000 8.668) 10.179 5.482 ( 1.939 0.000 -0.180) 1.948 5.482 ( 1.939 0.000 0.180) 1.948 5.558 ( -7.398 0.000 -9.666) 12.172 5.558 ( -7.398 0.000 9.666) 12.172 5.890 ( -4.234 0.000 -5.649) 7.060 5.890 ( -4.234 0.000 5.649) 7.060 6.402 ( 3.517 0.000 -7.848) 8.600 6.402 ( 3.517 0.000 7.848) 8.600 6.568 ( 9.369 0.000 -3.317) 9.939 6.568 ( 9.369 0.000 3.317) 9.939 7.184 ( -2.163 0.000 -8.231) 8.510 7.184 ( -2.163 0.000 8.231) 8.510 7.564 ( -1.236 0.000 -3.674) 3.876 7.564 ( -1.236 0.000 3.674) 3.876 7.820 ( 0.597 0.000 -6.114) 6.143 7.820 ( 0.597 0.000 6.114) 6.143 8.043 ( 7.826 0.000 -7.719) 10.992 8.043 ( 7.826 0.000 7.719) 10.992 8.284 ( -5.205 0.000 -2.047) 5.593 8.284 ( -5.205 0.000 2.047) 5.593 8.373 ( 11.033 0.000 -0.308) 11.037 8.373 ( 11.033 0.000 0.308) 11.037 9.533 ( -0.947 0.000 -1.195) 1.525 9.533 ( -0.947 0.000 1.195) 1.525 9.654 ( -1.644 0.000 -5.235) 5.487 9.654 ( -1.644 0.000 5.235) 5.487 11.444 ( 0.081 0.000 -3.538) 3.539 11.444 ( 0.081 0.000 3.538) 3.539 11.590 ( -1.737 0.000 -0.889) 1.952 11.590 ( -1.737 0.000 0.889) 1.952 12.945 ( -3.122 0.000 -0.777) 3.217 12.945 ( -3.122 0.000 0.777) 3.217 13.247 ( -5.047 0.000 -0.650) 5.088 13.247 ( -5.047 0.000 0.650) 5.088 15.556 ( -2.675 0.000 -5.223) 5.868 15.556 ( -2.675 0.000 5.223) 5.868 15.908 ( -0.784 0.000 -7.377) 7.419 15.908 ( -0.784 0.000 7.377) 7.419 16.119 ( 3.184 0.000 -3.340) 4.615 16.119 ( 3.184 0.000 3.340) 4.615 16.409 ( 2.020 0.000 -5.827) 6.167 16.409 ( 2.020 0.000 5.827) 6.167 18.087 ( -8.914 0.000 -13.742) 16.380 18.087 ( -8.914 0.000 13.742) 16.380 18.692 ( -4.256 0.000 -4.452) 6.159 18.692 ( -4.256 0.000 4.452) 6.159 19.335 ( 2.429 0.000 -3.183) 4.004 19.335 ( 2.429 0.000 3.183) 4.004 19.524 ( 2.472 0.000 -6.747) 7.185 19.524 ( 2.472 0.000 6.747) 7.185 21.708 ( -1.681 0.000 -0.809) 1.866 21.708 ( -1.681 0.000 0.809) 1.866 21.834 ( -5.055 0.000 -2.413) 5.602 21.834 ( -5.055 0.000 2.413) 5.602 22.500 ( 1.512 0.000 -8.499) 8.632 22.500 ( 1.512 0.000 8.499) 8.632 22.788 ( 0.667 0.000 -2.996) 3.070 22.788 ( 0.667 0.000 2.996) 3.070 ======================= Grid point 281 (94/108) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -10.682 0.000 -11.835) 15.943 2.211 ( -10.682 0.000 11.835) 15.943 2.433 ( 2.266 0.000 -12.584) 12.786 2.433 ( 2.266 0.000 12.584) 12.786 2.818 ( 0.110 0.000 -12.601) 12.601 2.818 ( 0.110 0.000 12.601) 12.601 3.276 ( -17.395 0.000 -4.776) 18.039 3.276 ( -17.395 0.000 4.776) 18.039 4.030 ( 9.611 0.000 -2.484) 9.927 4.030 ( 9.611 0.000 2.484) 9.927 4.753 ( -10.492 0.000 -7.874) 13.118 4.753 ( -10.492 0.000 7.874) 13.118 5.142 ( 3.866 0.000 -5.277) 6.542 5.142 ( 3.866 0.000 5.277) 6.542 5.348 ( -7.115 0.000 -9.173) 11.609 5.348 ( -7.115 0.000 9.173) 11.609 5.592 ( 2.055 0.000 -1.120) 2.340 5.592 ( 2.055 0.000 1.120) 2.340 5.755 ( -8.762 0.000 -2.415) 9.089 5.755 ( -8.762 0.000 2.415) 9.089 6.499 ( 6.747 0.000 -3.047) 7.403 6.499 ( 6.747 0.000 3.047) 7.403 6.773 ( 11.829 0.000 -7.943) 14.248 6.773 ( 11.829 0.000 7.943) 14.248 7.111 ( -5.353 0.000 -6.953) 8.775 7.111 ( -5.353 0.000 6.953) 8.775 7.535 ( -2.491 0.000 -8.071) 8.447 7.535 ( -2.491 0.000 8.071) 8.447 7.841 ( 1.369 0.000 -4.251) 4.466 7.841 ( 1.369 0.000 4.251) 4.466 8.122 ( -3.813 0.000 -4.646) 6.011 8.122 ( -3.813 0.000 4.646) 6.011 8.256 ( 6.796 0.000 -6.450) 9.369 8.256 ( 6.796 0.000 6.450) 9.369 8.553 ( 7.027 0.000 -0.686) 7.061 8.553 ( 7.027 0.000 0.686) 7.061 9.529 ( 0.461 0.000 -1.443) 1.515 9.529 ( 0.461 0.000 1.443) 1.515 9.613 ( -2.309 0.000 -5.556) 6.017 9.613 ( -2.309 0.000 5.556) 6.017 11.452 ( 0.705 0.000 -4.190) 4.249 11.452 ( 0.705 0.000 4.190) 4.249 11.549 ( -2.332 0.000 -1.065) 2.563 11.549 ( -2.332 0.000 1.065) 2.563 12.892 ( -2.127 0.000 -1.750) 2.754 12.892 ( -2.127 0.000 1.750) 2.755 13.135 ( -6.431 0.000 -0.980) 6.505 13.135 ( -6.431 0.000 0.980) 6.505 15.519 ( -0.909 0.000 -5.461) 5.536 15.519 ( -0.909 0.000 5.461) 5.536 15.836 ( -6.076 0.000 -11.374) 12.895 15.836 ( -6.076 0.000 11.374) 12.895 16.202 ( 5.568 0.000 -2.236) 6.000 16.202 ( 5.568 0.000 2.236) 6.000 16.473 ( 3.422 0.000 -1.484) 3.730 16.473 ( 3.422 0.000 1.484) 3.730 17.960 ( -3.623 0.000 -13.749) 14.218 17.960 ( -3.623 0.000 13.749) 14.218 18.553 ( -9.733 0.000 -2.533) 10.057 18.553 ( -9.733 0.000 2.533) 10.057 19.400 ( 3.870 0.000 -2.274) 4.489 19.400 ( 3.870 0.000 2.274) 4.489 19.557 ( 0.914 0.000 -6.462) 6.526 19.557 ( 0.914 0.000 6.462) 6.526 21.680 ( -1.147 0.000 -1.819) 2.150 21.680 ( -1.147 0.000 1.819) 2.150 21.748 ( -3.682 0.000 -1.397) 3.939 21.748 ( -3.682 0.000 1.397) 3.939 22.541 ( 2.633 0.000 -8.315) 8.721 22.541 ( 2.633 0.000 8.315) 8.721 22.776 ( -1.795 0.000 -4.304) 4.663 22.776 ( -1.795 0.000 4.304) 4.663 ======================= Grid point 283 (95/108) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -0.919 0.000 -5.552) 5.627 2.090 ( -0.919 0.000 5.552) 5.627 2.380 ( -8.682 0.000 -7.278) 11.329 2.380 ( -8.682 0.000 7.278) 11.329 2.834 ( 2.549 0.000 -9.540) 9.874 2.834 ( 2.549 0.000 9.540) 9.874 3.028 ( -8.282 0.000 -1.410) 8.401 3.028 ( -8.282 0.000 1.410) 8.401 4.210 ( 9.131 0.000 -7.137) 11.589 4.210 ( 9.131 0.000 7.137) 11.589 4.558 ( -9.638 0.000 -9.175) 13.307 4.558 ( -9.638 0.000 9.175) 13.307 5.205 ( 1.990 0.000 -4.109) 4.565 5.205 ( 1.990 0.000 4.109) 4.565 5.265 ( -1.786 0.000 -12.258) 12.388 5.265 ( -1.786 0.000 12.258) 12.388 5.592 ( -1.904 0.000 -2.432) 3.089 5.592 ( -1.904 0.000 2.432) 3.089 5.604 ( -5.384 0.000 -2.125) 5.788 5.604 ( -5.384 0.000 2.125) 5.788 6.652 ( 8.800 0.000 -0.335) 8.806 6.652 ( 8.800 0.000 0.335) 8.806 6.968 ( -3.026 0.000 -5.790) 6.533 6.968 ( -3.026 0.000 5.790) 6.533 7.029 ( 8.257 0.000 -12.542) 15.016 7.029 ( 8.257 0.000 12.542) 15.016 7.442 ( -7.473 0.000 -11.728) 13.907 7.442 ( -7.473 0.000 11.728) 13.907 7.875 ( 2.379 0.000 -4.106) 4.746 7.875 ( 2.379 0.000 4.106) 4.746 8.021 ( -5.219 0.000 -4.746) 7.054 8.021 ( -5.219 0.000 4.746) 7.054 8.422 ( 8.792 0.000 -8.450) 12.195 8.422 ( 8.792 0.000 8.450) 12.195 8.624 ( 0.243 0.000 -3.039) 3.049 8.624 ( 0.243 0.000 3.039) 3.049 9.542 ( 0.751 0.000 -2.990) 3.083 9.542 ( 0.751 0.000 2.990) 3.083 9.578 ( -1.266 0.000 -3.692) 3.903 9.578 ( -1.266 0.000 3.692) 3.903 11.467 ( 0.803 0.000 -4.410) 4.483 11.467 ( 0.803 0.000 4.410) 4.483 11.509 ( -1.738 0.000 -2.791) 3.288 11.509 ( -1.738 0.000 2.791) 3.288 12.875 ( 0.520 0.000 -2.635) 2.686 12.875 ( 0.520 0.000 2.635) 2.686 13.012 ( -6.036 0.000 -2.361) 6.481 13.012 ( -6.036 0.000 2.361) 6.481 15.528 ( 1.912 0.000 -6.552) 6.826 15.528 ( 1.912 0.000 6.552) 6.826 15.707 ( -6.769 0.000 -10.738) 12.693 15.707 ( -6.769 0.000 10.738) 12.693 16.321 ( 6.503 0.000 -1.116) 6.598 16.321 ( 6.503 0.000 1.116) 6.598 16.501 ( -0.998 0.000 -2.325) 2.530 16.501 ( -0.998 0.000 2.325) 2.530 17.968 ( 4.557 0.000 -9.964) 10.956 17.968 ( 4.557 0.000 9.964) 10.956 18.340 ( -11.932 0.000 -0.369) 11.937 18.340 ( -11.932 0.000 0.369) 11.937 19.471 ( 3.446 0.000 -3.064) 4.611 19.471 ( 3.446 0.000 3.064) 4.611 19.558 ( -0.792 0.000 -5.665) 5.720 19.558 ( -0.792 0.000 5.665) 5.720 21.666 ( -0.258 0.000 -1.895) 1.912 21.666 ( -0.258 0.000 1.895) 1.912 21.695 ( -1.925 0.000 -1.246) 2.294 21.695 ( -1.925 0.000 1.246) 2.294 22.597 ( 3.155 0.000 -7.340) 7.989 22.597 ( 3.155 0.000 7.340) 7.989 22.726 ( -3.197 0.000 -5.289) 6.180 22.726 ( -3.197 0.000 5.289) 6.180 ======================= Grid point 285 (96/108) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -9.411 0.000 -0.602) 9.430 2.179 ( -9.410 0.000 0.602) 9.430 2.179 ( 9.411 0.000 -0.602) 9.430 2.179 ( 9.411 0.000 0.602) 9.430 2.912 ( -4.946 0.000 -5.306) 7.254 2.912 ( 4.947 0.000 -5.306) 7.254 2.912 ( -4.947 0.000 5.306) 7.254 2.912 ( 4.947 0.000 5.306) 7.254 4.382 ( -8.905 0.000 -9.003) 12.663 4.382 ( 8.905 0.000 -9.003) 12.663 4.382 ( -8.905 0.000 9.003) 12.663 4.382 ( 8.905 0.000 9.003) 12.663 5.236 ( -1.776 0.000 -8.688) 8.867 5.236 ( 1.776 0.000 -8.688) 8.867 5.236 ( -1.776 0.000 8.688) 8.867 5.236 ( 1.776 0.000 8.688) 8.868 5.561 ( -0.926 0.000 -0.801) 1.225 5.561 ( 0.927 0.000 -0.801) 1.225 5.561 ( -0.927 0.000 0.801) 1.225 5.561 ( 0.927 0.000 0.801) 1.225 6.822 ( -8.707 0.000 -3.093) 9.240 6.822 ( 8.707 0.000 -3.093) 9.240 6.822 ( -8.707 0.000 3.093) 9.240 6.822 ( 8.707 0.000 3.093) 9.240 7.256 ( -11.535 0.000 -13.420) 17.696 7.256 ( 11.535 0.000 -13.420) 17.696 7.256 ( -11.535 0.000 13.420) 17.696 7.256 ( 11.535 0.000 13.420) 17.696 7.934 ( -3.791 0.000 -4.894) 6.190 7.934 ( 3.791 0.000 -4.894) 6.190 7.934 ( -3.791 0.000 4.894) 6.190 7.934 ( 3.791 0.000 4.894) 6.190 8.567 ( -5.795 0.000 -6.279) 8.545 8.567 ( 5.796 0.000 -6.279) 8.545 8.567 ( -5.795 0.000 6.279) 8.545 8.567 ( 5.796 0.000 6.280) 8.545 9.558 ( -0.924 0.000 -3.077) 3.213 9.558 ( 0.925 0.000 -3.077) 3.213 9.558 ( -0.925 0.000 3.077) 3.213 9.558 ( 0.925 0.000 3.077) 3.213 11.483 ( -1.007 0.000 -3.957) 4.083 11.483 ( 1.007 0.000 -3.957) 4.083 11.483 ( -1.007 0.000 3.957) 4.083 11.483 ( 1.007 0.000 3.957) 4.083 12.916 ( -3.762 0.000 -2.951) 4.782 12.916 ( 3.762 0.000 -2.951) 4.782 12.916 ( -3.762 0.000 2.951) 4.782 12.916 ( 3.762 0.000 2.951) 4.782 15.593 ( -4.842 0.000 -8.537) 9.815 15.593 ( 4.842 0.000 -8.537) 9.815 15.593 ( -4.842 0.000 8.537) 9.815 15.593 ( 4.842 0.000 8.537) 9.815 16.437 ( -5.163 0.000 -0.448) 5.183 16.437 ( -5.163 0.000 0.448) 5.183 16.437 ( 5.163 0.000 -0.448) 5.183 16.437 ( 5.163 0.000 0.448) 5.183 18.119 ( -10.469 0.000 -4.619) 11.443 18.119 ( 10.469 0.000 -4.619) 11.443 18.119 ( -10.469 0.000 4.619) 11.443 18.119 ( 10.469 0.000 4.619) 11.443 19.527 ( -2.314 0.000 -4.445) 5.012 19.527 ( 2.315 0.000 -4.445) 5.012 19.527 ( -2.314 0.000 4.445) 5.012 19.527 ( 2.315 0.000 4.445) 5.012 21.670 ( -0.738 0.000 -0.262) 0.783 21.670 ( 0.738 0.000 -0.262) 0.783 21.670 ( -0.738 0.000 0.262) 0.783 21.670 ( 0.738 0.000 0.262) 0.783 22.661 ( -3.464 0.000 -6.261) 7.155 22.661 ( 3.464 0.000 -6.261) 7.155 22.661 ( -3.464 0.000 6.261) 7.155 22.661 ( 3.464 0.000 6.261) 7.155 ======================= Grid point 297 (97/108) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 2.307 -11.002) 11.242 2.199 ( 0.000 2.307 11.002) 11.242 2.530 ( 0.000 -12.932 -15.353) 20.074 2.530 ( 0.000 -12.932 15.353) 20.074 3.215 ( 0.000 5.413 -6.617) 8.549 3.215 ( 0.000 5.413 6.617) 8.549 3.333 ( 0.000 -0.765 -12.408) 12.431 3.333 ( 0.000 -0.765 12.408) 12.431 4.359 ( 0.000 5.803 -1.924) 6.113 4.359 ( 0.000 5.803 1.924) 6.113 4.655 ( 0.000 -7.117 -8.729) 11.263 4.655 ( 0.000 -7.117 8.729) 11.263 5.340 ( 0.000 4.028 -6.136) 7.340 5.340 ( 0.000 4.028 6.136) 7.340 5.465 ( 0.000 -1.086 -4.712) 4.835 5.465 ( 0.000 -1.086 4.712) 4.835 5.898 ( 0.000 6.445 -8.342) 10.542 5.898 ( 0.000 6.445 8.342) 10.542 6.013 ( 0.000 5.979 -15.011) 16.158 6.013 ( 0.000 5.979 15.011) 16.158 6.150 ( 0.000 -7.699 -4.972) 9.165 6.150 ( 0.000 -7.699 4.972) 9.165 6.399 ( 0.000 -2.356 -9.600) 9.885 6.399 ( 0.000 -2.356 9.600) 9.885 7.244 ( 0.000 4.692 -11.762) 12.663 7.244 ( 0.000 4.692 11.762) 12.663 7.594 ( 0.000 -3.379 -3.456) 4.834 7.594 ( 0.000 -3.379 3.456) 4.834 7.774 ( 0.000 -2.253 -2.111) 3.087 7.774 ( 0.000 -2.253 2.111) 3.087 7.870 ( 0.000 -8.450 -5.258) 9.952 7.870 ( 0.000 -8.450 5.258) 9.952 8.077 ( 0.000 10.652 -7.183) 12.847 8.077 ( 0.000 10.652 7.183) 12.847 8.390 ( 0.000 -2.946 -3.413) 4.509 8.390 ( 0.000 -2.946 3.413) 4.509 9.611 ( 0.000 1.809 -4.176) 4.552 9.611 ( 0.000 1.809 4.176) 4.552 9.661 ( 0.000 -0.111 -1.711) 1.714 9.661 ( 0.000 -0.111 1.711) 1.714 11.476 ( 0.000 2.066 -2.851) 3.521 11.476 ( 0.000 2.066 2.851) 3.521 11.589 ( 0.000 -2.385 -3.204) 3.994 11.589 ( 0.000 -2.385 3.204) 3.994 13.058 ( 0.000 3.603 -3.401) 4.955 13.058 ( 0.000 3.603 3.401) 4.955 13.285 ( 0.000 -5.650 -4.299) 7.099 13.285 ( 0.000 -5.650 4.299) 7.099 15.695 ( 0.000 4.730 -6.775) 8.263 15.695 ( 0.000 4.730 6.775) 8.263 15.840 ( 0.000 -1.758 -3.381) 3.810 15.840 ( 0.000 -1.758 3.381) 3.810 16.081 ( 0.000 4.640 -5.140) 6.924 16.081 ( 0.000 4.640 5.140) 6.924 16.367 ( 0.000 -6.228 -16.079) 17.243 16.367 ( 0.000 -6.228 16.079) 17.243 18.422 ( 0.000 3.871 -7.954) 8.846 18.422 ( 0.000 3.871 7.954) 8.846 18.617 ( 0.000 -3.945 -3.746) 5.440 18.617 ( 0.000 -3.945 3.746) 5.440 19.359 ( 0.000 1.101 -5.875) 5.977 19.359 ( 0.000 1.101 5.875) 5.977 19.410 ( 0.000 -0.974 -6.209) 6.285 19.410 ( 0.000 -0.974 6.209) 6.285 21.775 ( 0.000 2.095 -1.898) 2.827 21.775 ( 0.000 2.095 1.898) 2.827 21.916 ( 0.000 -3.902 -7.459) 8.419 21.916 ( 0.000 -3.902 7.459) 8.419 22.550 ( 0.000 4.086 -3.892) 5.643 22.550 ( 0.000 4.086 3.892) 5.643 22.699 ( 0.000 -2.198 -0.470) 2.248 22.699 ( 0.000 -2.198 0.470) 2.248 ======================= Grid point 299 (98/108) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 3.049 1.530 -11.602) 12.093 2.230 ( 3.049 1.530 11.602) 12.093 2.549 ( 1.499 -10.837 -14.826) 18.425 2.549 ( 1.499 -10.837 14.826) 18.425 2.955 ( -15.998 1.777 -11.139) 19.574 2.955 ( -15.998 1.777 11.139) 19.574 3.554 ( 11.969 1.961 -4.359) 12.888 3.554 ( 11.969 1.961 4.359) 12.888 4.114 ( -18.478 0.905 -0.713) 18.514 4.114 ( -18.478 0.905 0.713) 18.514 4.802 ( 8.732 -2.304 -6.611) 11.192 4.802 ( 8.732 -2.304 6.611) 11.192 5.312 ( -6.288 1.387 -4.794) 8.028 5.312 ( -6.288 1.387 4.794) 8.028 5.415 ( -0.204 1.338 -2.670) 2.993 5.415 ( -0.204 1.338 2.670) 2.993 5.815 ( -10.000 3.734 -10.170) 14.744 5.815 ( -10.000 3.734 10.170) 14.744 5.967 ( 0.568 5.429 -2.553) 6.026 5.967 ( 0.568 5.429 2.553) 6.026 6.271 ( 7.810 -3.936 -3.937) 9.591 6.271 ( 7.810 -3.936 3.937) 9.591 6.429 ( 2.656 -2.619 -7.772) 8.621 6.429 ( 2.656 -2.619 7.772) 8.621 7.214 ( -1.643 2.372 -7.285) 7.836 7.214 ( -1.643 2.372 7.285) 7.836 7.588 ( -4.062 -1.487 -1.610) 4.616 7.588 ( -4.062 -1.487 1.610) 4.616 7.755 ( 4.047 -3.622 -4.749) 7.215 7.755 ( 4.047 -3.622 4.749) 7.215 7.982 ( 6.637 -1.841 -4.977) 8.498 7.982 ( 6.637 -1.841 4.977) 8.498 8.118 ( 4.486 4.225 -5.277) 8.113 8.118 ( 4.486 4.225 5.277) 8.113 8.378 ( -0.785 -1.342 -2.444) 2.897 8.378 ( -0.785 -1.342 2.444) 2.897 9.579 ( -2.273 1.270 -2.211) 3.416 9.579 ( -2.273 1.270 2.211) 3.416 9.672 ( 0.190 0.267 -3.920) 3.934 9.672 ( 0.190 0.267 3.920) 3.934 11.464 ( -1.009 1.400 -2.852) 3.333 11.464 ( -1.009 1.400 2.852) 3.333 11.591 ( -0.166 -1.873 -2.903) 3.458 11.591 ( -0.166 -1.873 2.903) 3.458 13.033 ( -2.507 3.235 -3.478) 5.371 13.033 ( -2.507 3.235 3.478) 5.371 13.267 ( -1.971 -4.961 -3.648) 6.465 13.267 ( -1.971 -4.961 3.648) 6.465 15.663 ( -2.910 4.584 -6.508) 8.475 15.663 ( -2.910 4.584 6.508) 8.475 15.860 ( 1.622 -2.185 -4.331) 5.115 15.860 ( 1.622 -2.185 4.331) 5.115 16.106 ( 2.222 4.093 -5.024) 6.850 16.106 ( 2.222 4.093 5.024) 6.850 16.356 ( -0.509 -5.206 -13.134) 14.137 16.356 ( -0.509 -5.206 13.134) 14.137 18.287 ( -10.308 1.421 -10.225) 14.588 18.287 ( -10.308 1.421 10.225) 14.588 18.687 ( 3.389 -1.568 -4.929) 6.184 18.687 ( 3.389 -1.568 4.929) 6.184 19.327 ( -1.225 0.452 -5.158) 5.321 19.327 ( -1.225 0.452 5.158) 5.321 19.462 ( 3.471 -0.334 -6.527) 7.400 19.462 ( 3.471 -0.334 6.527) 7.400 21.755 ( -1.817 1.546 -2.292) 3.309 21.755 ( -1.817 1.546 2.292) 3.309 21.890 ( -2.742 -2.886 -5.176) 6.530 21.890 ( -2.742 -2.886 5.176) 6.530 22.518 ( -1.773 2.237 -6.062) 6.700 22.518 ( -1.773 2.237 6.062) 6.700 22.744 ( 3.194 -0.817 -2.256) 3.995 22.744 ( 3.194 -0.817 2.256) 3.995 ======================= Grid point 301 (99/108) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.498 -0.928 -17.263) 17.352 2.291 ( 1.498 -0.928 17.263) 17.352 2.535 ( -4.832 0.936 -7.172) 8.698 2.535 ( -4.832 0.936 7.172) 8.698 2.723 ( -4.600 -5.905 -11.705) 13.894 2.723 ( -4.600 -5.905 11.705) 13.894 3.590 ( -16.146 -2.246 -15.620) 22.577 3.590 ( -16.146 -2.246 15.620) 22.577 3.893 ( 4.160 1.514 -9.928) 10.870 3.893 ( 4.160 1.514 9.928) 10.870 4.899 ( 0.034 0.007 -6.387) 6.387 4.899 ( 0.034 0.007 6.387) 6.387 5.163 ( -5.788 3.409 -7.051) 9.739 5.163 ( -5.788 3.409 7.051) 9.739 5.429 ( -1.842 -4.678 -6.785) 8.445 5.429 ( -1.842 -4.678 6.785) 8.445 5.654 ( -4.254 8.088 -8.283) 12.333 5.654 ( -4.254 8.088 8.283) 12.333 5.941 ( -4.120 3.897 -3.446) 6.636 5.941 ( -4.120 3.897 3.446) 6.636 6.399 ( 5.445 -1.464 -6.591) 8.674 6.399 ( 5.445 -1.464 6.591) 8.674 6.523 ( 7.965 -3.238 -11.458) 14.325 6.523 ( 7.965 -3.238 11.458) 14.325 7.193 ( -1.480 1.807 -6.418) 6.829 7.193 ( -1.480 1.807 6.418) 6.829 7.489 ( -4.769 -6.181 -4.039) 8.790 7.489 ( -4.769 -6.181 4.039) 8.790 7.861 ( 4.913 3.011 -3.435) 6.709 7.861 ( 4.913 3.011 3.435) 6.709 8.088 ( 4.711 2.523 -4.898) 7.249 8.088 ( 4.711 2.523 4.898) 7.249 8.199 ( 2.087 -4.135 -3.498) 5.804 8.199 ( 2.087 -4.135 3.498) 5.804 8.411 ( 5.536 1.103 -1.150) 5.760 8.411 ( 5.536 1.103 1.150) 5.760 9.544 ( -1.088 0.990 -1.008) 1.784 9.544 ( -1.088 0.990 1.008) 1.784 9.655 ( -1.914 0.066 -5.810) 6.118 9.655 ( -1.914 0.066 5.810) 6.118 11.449 ( -0.311 0.556 -3.406) 3.465 11.449 ( -0.311 0.556 3.406) 3.465 11.575 ( -1.540 -1.340 -2.236) 3.028 11.575 ( -1.540 -1.340 2.236) 3.028 12.972 ( -3.525 2.440 -3.588) 5.590 12.972 ( -3.525 2.440 3.588) 5.590 13.209 ( -4.053 -3.381 -2.106) 5.683 13.209 ( -4.053 -3.381 2.106) 5.683 15.599 ( -3.416 3.765 -5.973) 7.844 15.599 ( -3.416 3.765 5.973) 7.844 15.874 ( -0.996 -2.899 -8.121) 8.681 15.874 ( -0.996 -2.899 8.121) 8.681 16.149 ( 2.363 2.554 -5.577) 6.573 16.149 ( 2.363 2.554 5.577) 6.573 16.381 ( 3.478 -2.480 -4.094) 5.917 16.381 ( 3.478 -2.480 4.094) 5.917 18.092 ( -9.291 0.355 -13.286) 16.217 18.092 ( -9.291 0.355 13.286) 16.217 18.685 ( -3.885 -0.569 -4.971) 6.335 18.685 ( -3.885 -0.569 4.971) 6.335 19.338 ( 2.330 0.243 -3.363) 4.099 19.338 ( 2.330 0.243 3.363) 4.099 19.521 ( 2.538 -0.169 -6.710) 7.176 19.521 ( 2.538 -0.169 6.710) 7.176 21.716 ( -1.991 0.799 -2.849) 3.567 21.716 ( -1.991 0.799 2.849) 3.567 21.818 ( -4.358 -1.392 -4.788) 6.622 21.818 ( -4.358 -1.392 4.788) 6.622 22.510 ( 0.896 0.791 -8.449) 8.533 22.510 ( 0.896 0.791 8.449) 8.533 22.786 ( 0.886 -0.127 -3.908) 4.009 22.786 ( 0.886 -0.127 3.908) 4.009 ======================= Grid point 303 (100/108) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -8.621 -0.706 -19.741) 21.553 2.198 ( -8.621 -0.706 19.741) 21.553 2.505 ( 1.728 6.131 -9.989) 11.847 2.505 ( 1.728 6.131 9.989) 11.847 2.720 ( 1.104 -7.564 -12.790) 14.900 2.720 ( 1.104 -7.564 12.790) 14.900 3.193 ( -20.341 -7.452 -8.497) 23.269 3.193 ( -20.341 -7.452 8.497) 23.269 4.056 ( 9.506 1.947 -6.312) 11.576 4.056 ( 9.506 1.947 6.312) 11.576 4.794 ( -8.946 3.392 -9.725) 13.642 4.794 ( -8.946 3.392 9.725) 13.642 5.130 ( 0.534 -0.411 -2.818) 2.898 5.130 ( 0.534 -0.411 2.818) 2.898 5.339 ( -5.252 -2.215 -7.273) 9.241 5.339 ( -5.252 -2.215 7.273) 9.241 5.642 ( 0.600 6.248 -4.944) 7.990 5.642 ( 0.600 6.248 4.944) 7.990 5.833 ( -5.943 5.114 -0.792) 7.880 5.833 ( -5.943 5.114 0.792) 7.880 6.513 ( 6.976 0.661 -5.175) 8.711 6.513 ( 6.976 0.661 5.175) 8.711 6.711 ( 10.816 -4.694 -11.688) 16.602 6.711 ( 10.816 -4.694 11.688) 16.602 7.128 ( -5.283 2.206 -6.331) 8.535 7.128 ( -5.283 2.206 6.331) 8.535 7.413 ( -3.740 -9.631 -5.416) 11.665 7.413 ( -3.740 -9.631 5.416) 11.665 7.923 ( 1.821 5.768 -4.192) 7.359 7.923 ( 1.821 5.768 4.192) 7.359 8.104 ( -2.855 -1.540 -3.100) 4.487 8.104 ( -2.855 -1.540 3.100) 4.487 8.284 ( 7.628 2.056 -7.196) 10.686 8.284 ( 7.628 2.056 7.196) 10.686 8.543 ( 6.373 -0.832 -2.518) 6.903 8.543 ( 6.373 -0.832 2.518) 6.903 9.538 ( 0.249 0.762 -1.049) 1.320 9.538 ( 0.249 0.762 1.049) 1.320 9.608 ( -2.589 -0.429 -6.180) 6.714 9.608 ( -2.589 -0.429 6.180) 6.714 11.452 ( 0.478 0.049 -4.156) 4.184 11.452 ( 0.478 0.049 4.156) 4.184 11.537 ( -2.200 -1.056 -2.069) 3.199 11.537 ( -2.200 -1.056 2.069) 3.199 12.911 ( -2.548 1.607 -3.494) 4.613 12.911 ( -2.548 1.607 3.494) 4.613 13.115 ( -5.524 -1.707 -0.768) 5.832 13.115 ( -5.524 -1.707 0.768) 5.832 15.546 ( -1.810 2.346 -5.642) 6.373 15.546 ( -1.810 2.346 5.642) 6.373 15.808 ( -5.455 -2.396 -11.667) 13.100 15.808 ( -5.455 -2.396 11.667) 13.100 16.217 ( 4.917 1.197 -3.367) 6.079 16.217 ( 4.917 1.197 3.367) 6.079 16.464 ( 4.004 -0.731 -2.877) 4.985 16.464 ( 4.004 -0.731 2.877) 4.985 17.960 ( -3.716 0.025 -13.538) 14.039 17.960 ( -3.716 0.025 13.538) 14.039 18.550 ( -9.588 -0.198 -3.074) 10.071 18.550 ( -9.588 -0.198 3.074) 10.071 19.401 ( 3.818 0.130 -2.315) 4.467 19.401 ( 3.818 0.130 2.315) 4.467 19.555 ( 0.953 -0.090 -6.451) 6.522 19.555 ( 0.953 -0.090 6.451) 6.522 21.684 ( -1.303 0.398 -2.566) 2.906 21.684 ( -1.303 0.398 2.566) 2.906 21.741 ( -3.413 -0.641 -4.589) 5.755 21.741 ( -3.413 -0.641 4.589) 5.755 22.544 ( 2.441 0.222 -8.471) 8.819 22.544 ( 2.441 0.222 8.471) 8.819 22.777 ( -1.732 0.071 -4.752) 5.058 22.777 ( -1.732 0.071 4.752) 5.058 ======================= Grid point 305 (101/108) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.369 0.603 -10.565) 10.589 2.097 ( -0.369 0.603 10.565) 10.589 2.439 ( -10.821 5.652 -6.470) 13.816 2.439 ( -10.821 5.652 6.470) 13.816 2.751 ( 3.171 -6.438 -8.164) 10.870 2.751 ( 3.171 -6.438 8.164) 10.870 2.919 ( -7.453 -9.652 -2.352) 12.419 2.919 ( -7.453 -9.652 2.352) 12.419 4.236 ( 9.364 1.885 -8.670) 12.900 4.236 ( 9.364 1.885 8.670) 12.900 4.608 ( -9.999 3.949 -11.381) 15.655 4.608 ( -9.999 3.949 11.381) 15.655 5.143 ( 1.030 -3.364 -1.292) 3.748 5.143 ( 1.030 -3.364 1.292) 3.748 5.255 ( -3.895 -1.872 -4.382) 6.155 5.255 ( -3.895 -1.872 4.382) 6.155 5.648 ( 0.567 7.651 -5.322) 9.337 5.648 ( 0.567 7.651 5.322) 9.337 5.741 ( -3.697 7.573 -3.952) 9.308 5.741 ( -3.697 7.573 3.952) 9.308 6.663 ( 8.418 1.073 -4.355) 9.538 6.663 ( 8.418 1.073 4.355) 9.538 6.905 ( 6.359 -6.009 -3.706) 9.501 6.905 ( 6.359 -6.008 3.706) 9.501 7.022 ( -2.523 0.965 -8.240) 8.671 7.022 ( -2.523 0.965 8.240) 8.671 7.317 ( -6.699 -10.076 -10.107) 15.766 7.317 ( -6.699 -10.076 10.107) 15.766 7.949 ( 1.300 5.331 -4.661) 7.200 7.949 ( 1.300 5.331 4.661) 7.200 8.039 ( -3.383 1.089 -4.157) 5.469 8.039 ( -3.383 1.089 4.157) 5.469 8.440 ( 7.965 1.499 -8.258) 11.571 8.440 ( 7.965 1.499 8.258) 11.571 8.615 ( 0.660 -0.830 -3.873) 4.016 8.615 ( 0.660 -0.830 3.873) 4.016 9.545 ( 0.362 0.322 -3.038) 3.076 9.545 ( 0.362 0.322 3.038) 3.076 9.571 ( -1.188 -0.644 -3.921) 4.147 9.571 ( -1.188 -0.644 3.921) 4.147 11.463 ( 0.631 -0.258 -4.419) 4.471 11.463 ( 0.631 -0.258 4.419) 4.471 11.499 ( -1.591 -0.833 -2.909) 3.419 11.499 ( -1.591 -0.833 2.909) 3.419 12.886 ( 0.156 0.917 -3.034) 3.174 12.886 ( 0.156 0.917 3.034) 3.174 13.007 ( -5.427 -0.454 -1.396) 5.622 13.007 ( -5.427 -0.454 1.396) 5.622 15.538 ( 1.123 0.933 -6.471) 6.633 15.538 ( 1.123 0.933 6.471) 6.633 15.691 ( -6.125 -1.317 -10.893) 12.566 15.691 ( -6.125 -1.317 10.893) 12.566 16.328 ( 6.209 0.504 -1.906) 6.514 16.328 ( 6.209 0.504 1.906) 6.514 16.499 ( -0.761 -0.137 -3.081) 3.177 16.499 ( -0.761 -0.137 3.081) 3.177 17.968 ( 4.556 -0.030 -9.898) 10.896 17.968 ( 4.556 -0.030 9.898) 10.896 18.339 ( -11.884 -0.060 -1.246) 11.949 18.339 ( -11.884 -0.060 1.246) 11.949 19.472 ( 3.410 0.065 -3.047) 4.573 19.472 ( 3.410 0.065 3.047) 4.573 19.557 ( -0.761 -0.037 -5.675) 5.726 19.557 ( -0.761 -0.037 5.675) 5.726 21.668 ( -0.393 0.173 -1.652) 1.707 21.668 ( -0.393 0.173 1.652) 1.707 21.691 ( -1.778 -0.339 -2.853) 3.379 21.691 ( -1.778 -0.339 2.853) 3.379 22.598 ( 3.132 0.081 -7.393) 8.029 22.598 ( 3.132 0.081 7.393) 8.029 22.728 ( -3.198 0.112 -5.359) 6.241 22.728 ( -3.198 0.112 5.359) 6.241 ======================= Grid point 307 (102/108) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -10.341 1.884 -3.518) 11.085 2.201 ( -2.088 1.884 -0.991) 2.982 2.201 ( 2.088 1.884 0.991) 2.982 2.201 ( 10.341 1.884 3.519) 11.085 2.826 ( -3.113 -6.845 -5.459) 9.292 2.826 ( 1.968 -6.845 -5.399) 8.938 2.826 ( -1.968 -6.845 5.399) 8.938 2.826 ( 3.113 -6.845 5.459) 9.292 4.418 ( -9.725 2.720 -10.665) 14.688 4.418 ( 9.721 2.720 -10.665) 14.685 4.418 ( -9.721 2.720 10.665) 14.685 4.418 ( 9.725 2.720 10.665) 14.688 5.184 ( -1.753 -3.155 -5.264) 6.383 5.184 ( 0.646 -3.155 -5.236) 6.148 5.184 ( -0.646 -3.155 5.236) 6.148 5.184 ( 1.753 -3.155 5.264) 6.383 5.680 ( -2.503 8.758 -5.848) 10.824 5.680 ( 2.372 8.758 -5.842) 10.791 5.680 ( -2.371 8.758 5.842) 10.791 5.680 ( 2.503 8.758 5.848) 10.824 6.825 ( -6.716 0.447 -6.689) 9.489 6.825 ( 2.995 0.447 -6.382) 7.064 6.825 ( -2.995 0.447 6.382) 7.064 6.825 ( 6.716 0.447 6.689) 9.490 7.157 ( -9.666 -7.982 -14.458) 19.136 7.157 ( 9.640 -7.982 -14.456) 19.122 7.157 ( -9.640 -7.982 14.456) 19.122 7.157 ( 9.666 -7.982 14.458) 19.136 7.983 ( -2.135 3.555 -5.153) 6.615 7.983 ( 1.947 3.555 -5.145) 6.550 7.983 ( -1.947 3.555 5.145) 6.550 7.983 ( 2.135 3.555 5.153) 6.615 8.569 ( -4.996 0.181 -6.594) 8.275 8.569 ( 4.945 0.181 -6.590) 8.241 8.569 ( -4.945 0.181 6.590) 8.241 8.569 ( 4.997 0.181 6.594) 8.275 9.555 ( -0.670 -0.283 -3.259) 3.340 9.555 ( 0.668 -0.283 -3.259) 3.339 9.555 ( -0.668 -0.283 3.259) 3.339 9.555 ( 0.670 -0.283 3.259) 3.340 11.476 ( -0.799 -0.554 -4.055) 4.170 11.476 ( 0.791 -0.554 -4.055) 4.168 11.476 ( -0.791 -0.554 4.055) 4.168 11.476 ( 0.799 -0.554 4.055) 4.170 12.920 ( -3.163 0.324 -2.590) 4.101 12.920 ( 2.287 0.324 -2.485) 3.393 12.920 ( -2.287 0.324 2.485) 3.393 12.920 ( 3.163 0.324 2.590) 4.101 15.590 ( -4.167 -0.251 -8.560) 9.524 15.590 ( 4.157 -0.251 -8.560) 9.519 15.590 ( -4.157 -0.251 8.560) 9.519 15.590 ( 4.167 -0.251 8.560) 9.524 16.439 ( -4.955 0.164 -1.570) 5.200 16.439 ( -1.614 0.164 0.161) 1.630 16.439 ( 1.614 0.164 -0.161) 1.630 16.439 ( 4.955 0.164 1.570) 5.200 18.119 ( -10.465 -0.026 -4.651) 11.452 18.119 ( 10.398 -0.026 -4.634) 11.384 18.119 ( -10.398 -0.026 4.634) 11.384 18.119 ( 10.465 -0.026 4.651) 11.452 19.528 ( -2.281 0.012 -4.445) 4.997 19.528 ( 2.281 0.012 -4.445) 4.997 19.528 ( -2.281 0.012 4.445) 4.997 19.528 ( 2.281 0.012 4.446) 4.997 21.669 ( -0.502 -0.081 -0.889) 1.024 21.669 ( 0.409 -0.081 -0.884) 0.977 21.669 ( -0.409 -0.081 0.884) 0.977 21.669 ( 0.502 -0.081 0.889) 1.024 22.662 ( -3.485 0.090 -6.219) 7.129 22.662 ( 3.484 0.090 -6.219) 7.129 22.662 ( -3.484 0.090 6.219) 7.129 22.662 ( 3.485 0.090 6.219) 7.129 ======================= Grid point 319 (103/108) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 -8.576 -16.277) 18.398 2.303 ( 0.000 8.576 -16.277) 18.398 2.303 ( 0.000 -8.576 16.277) 18.398 2.303 ( 0.000 8.576 16.277) 18.398 3.299 ( 0.000 -0.981 -6.458) 6.532 3.299 ( 0.000 0.981 -6.458) 6.532 3.299 ( 0.000 -0.981 6.458) 6.532 3.299 ( 0.000 0.981 6.458) 6.532 4.498 ( 0.000 -5.370 -4.141) 6.781 4.498 ( 0.000 -5.370 4.141) 6.781 4.498 ( 0.000 5.370 -4.141) 6.781 4.498 ( 0.000 5.370 4.141) 6.781 5.422 ( 0.000 -3.261 -6.918) 7.648 5.422 ( 0.000 3.261 -6.918) 7.648 5.422 ( 0.000 -3.261 6.918) 7.648 5.422 ( 0.000 3.261 6.918) 7.648 6.010 ( 0.000 -5.665 -2.735) 6.291 6.010 ( 0.000 -5.665 2.735) 6.291 6.010 ( 0.000 5.665 -2.735) 6.291 6.010 ( 0.000 5.665 2.735) 6.291 6.227 ( 0.000 -12.835 -17.328) 21.564 6.227 ( 0.000 12.835 -17.328) 21.564 6.227 ( 0.000 -12.835 17.328) 21.564 6.227 ( 0.000 12.835 17.328) 21.564 7.433 ( 0.000 -10.993 -7.356) 13.228 7.433 ( 0.000 -10.993 7.356) 13.228 7.433 ( 0.000 10.993 -7.356) 13.228 7.433 ( 0.000 10.993 7.356) 13.228 7.763 ( 0.000 -0.554 -3.886) 3.926 7.763 ( 0.000 0.554 -3.886) 3.926 7.763 ( 0.000 -0.554 3.886) 3.926 7.763 ( 0.000 0.554 3.886) 3.926 8.275 ( 0.000 -8.447 -4.439) 9.542 8.275 ( 0.000 -8.447 4.439) 9.542 8.275 ( 0.000 8.447 -4.439) 9.542 8.275 ( 0.000 8.447 4.439) 9.542 9.647 ( 0.000 -1.135 -3.077) 3.280 9.647 ( 0.000 1.135 -3.077) 3.280 9.647 ( 0.000 -1.135 3.077) 3.280 9.647 ( 0.000 1.135 3.077) 3.280 11.531 ( 0.000 -3.025 -3.188) 4.395 11.531 ( 0.000 3.025 -3.188) 4.395 11.531 ( 0.000 -3.025 3.188) 4.395 11.531 ( 0.000 3.025 3.188) 4.395 13.159 ( 0.000 -6.203 -5.152) 8.064 13.159 ( 0.000 6.203 -5.152) 8.064 13.159 ( 0.000 -6.203 5.152) 8.064 13.159 ( 0.000 6.203 5.152) 8.064 15.785 ( 0.000 -3.668 -5.430) 6.553 15.785 ( 0.000 3.668 -5.430) 6.553 15.785 ( 0.000 -3.668 5.430) 6.553 15.785 ( 0.000 3.668 5.430) 6.553 16.214 ( 0.000 -8.210 -11.496) 14.127 16.214 ( 0.000 8.210 -11.496) 14.127 16.214 ( 0.000 -8.210 11.496) 14.127 16.214 ( 0.000 8.210 11.496) 14.127 18.519 ( 0.000 -4.024 -5.674) 6.956 18.519 ( 0.000 4.024 -5.674) 6.956 18.519 ( 0.000 -4.024 5.674) 6.956 18.519 ( 0.000 4.024 5.674) 6.956 19.385 ( 0.000 -0.895 -6.077) 6.143 19.385 ( 0.000 0.895 -6.077) 6.143 19.385 ( 0.000 -0.895 6.077) 6.143 19.385 ( 0.000 0.895 6.077) 6.143 21.835 ( 0.000 -3.732 -4.099) 5.543 21.835 ( 0.000 3.732 -4.099) 5.543 21.835 ( 0.000 -3.732 4.099) 5.543 21.835 ( 0.000 3.732 4.099) 5.543 22.636 ( 0.000 -3.367 -1.273) 3.599 22.636 ( 0.000 -3.367 1.273) 3.599 22.636 ( 0.000 3.367 -1.273) 3.599 22.636 ( 0.000 3.367 1.273) 3.599 ======================= Grid point 323 (104/108) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.212 -0.000 -18.654) 18.655 2.276 ( 0.212 0.000 18.654) 18.655 2.392 ( 5.884 0.000 -14.609) 15.749 2.392 ( 5.884 -0.000 14.609) 15.749 2.975 ( -17.143 0.000 -7.907) 18.878 2.975 ( -17.143 0.000 7.907) 18.878 3.575 ( 11.857 0.000 -5.001) 12.868 3.575 ( 11.857 0.000 5.001) 12.868 4.123 ( -20.755 0.000 -0.174) 20.755 4.123 ( -20.755 0.000 0.174) 20.755 4.776 ( 11.105 0.000 -5.428) 12.360 4.776 ( 11.105 -0.000 5.428) 12.360 5.337 ( -5.842 0.000 -7.028) 9.139 5.337 ( -5.842 0.000 7.028) 9.139 5.421 ( -2.467 0.000 -7.458) 7.855 5.421 ( -2.467 -0.000 7.458) 7.855 5.875 ( -7.592 0.000 -4.628) 8.892 5.875 ( -7.592 0.000 4.628) 8.892 6.036 ( -0.522 -0.000 -1.174) 1.285 6.036 ( -0.522 -0.000 1.174) 1.285 6.274 ( 3.627 0.000 -15.228) 15.654 6.274 ( 3.627 0.000 15.228) 15.654 6.322 ( 7.715 -0.000 -11.925) 14.203 6.322 ( 7.715 -0.000 11.925) 14.203 7.281 ( -4.564 0.000 -3.377) 5.678 7.281 ( -4.564 -0.000 3.377) 5.678 7.541 ( -5.165 -0.000 -6.134) 8.019 7.541 ( -5.165 0.000 6.134) 8.019 7.722 ( 8.669 0.000 -4.457) 9.748 7.722 ( 8.669 -0.000 4.457) 9.748 7.926 ( 8.608 -0.000 -6.118) 10.561 7.926 ( 8.608 0.000 6.118) 10.561 8.229 ( -2.457 -0.000 -6.243) 6.709 8.229 ( -2.457 0.000 6.243) 6.709 8.327 ( 3.246 0.000 -1.465) 3.562 8.327 ( 3.246 0.000 1.465) 3.562 9.596 ( -2.607 0.000 -1.574) 3.045 9.596 ( -2.607 0.000 1.574) 3.045 9.675 ( 0.314 0.000 -4.888) 4.898 9.675 ( 0.314 0.000 4.888) 4.898 11.487 ( -2.098 0.000 -2.647) 3.377 11.487 ( -2.098 -0.000 2.647) 3.377 11.561 ( 0.740 -0.000 -3.608) 3.683 11.561 ( 0.740 0.000 3.608) 3.683 13.096 ( -4.091 0.000 -5.755) 7.061 13.096 ( -4.091 -0.000 5.755) 7.061 13.183 ( 0.006 -0.000 -4.055) 4.055 13.183 ( 0.006 0.000 4.055) 4.055 15.733 ( -3.508 -0.000 -5.784) 6.764 15.733 ( -3.508 0.000 5.784) 6.764 15.821 ( 1.526 0.000 -6.322) 6.503 15.821 ( 1.526 -0.000 6.322) 6.503 16.196 ( -1.025 -0.000 -13.048) 13.089 16.196 ( -1.025 0.000 13.048) 13.089 16.252 ( 3.299 0.000 -6.121) 6.953 16.252 ( 3.299 -0.000 6.121) 6.953 18.306 ( -11.620 -0.000 -9.352) 14.916 18.306 ( -11.620 0.000 9.352) 14.916 18.667 ( 4.630 0.000 -5.591) 7.259 18.667 ( 4.630 0.000 5.591) 7.259 19.333 ( -1.449 0.000 -5.305) 5.499 19.333 ( -1.449 0.000 5.305) 5.499 19.458 ( 3.679 0.000 -6.488) 7.458 19.458 ( 3.679 0.000 6.488) 7.458 21.783 ( -3.027 0.000 -5.921) 6.650 21.783 ( -3.027 -0.000 5.921) 6.650 21.846 ( -1.053 0.000 -5.322) 5.426 21.846 ( -1.053 0.000 5.322) 5.426 22.547 ( -3.250 0.000 -5.267) 6.190 22.547 ( -3.250 -0.000 5.267) 6.190 22.733 ( 4.190 0.000 -3.220) 5.285 22.733 ( 4.190 0.000 3.220) 5.285 ======================= Grid point 327 (105/108) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.708 -0.000 -25.426) 25.436 2.286 ( -0.708 0.000 25.426) 25.436 2.514 ( 6.438 -0.000 -13.199) 14.686 2.514 ( 6.438 -0.000 13.199) 14.686 2.680 ( -11.741 0.000 -6.906) 13.621 2.680 ( -11.741 0.000 6.906) 13.621 3.553 ( -20.264 0.000 -18.214) 27.247 3.553 ( -20.264 0.000 18.214) 27.247 3.913 ( 5.563 0.000 -12.018) 13.243 3.913 ( 5.563 0.000 12.018) 13.243 4.903 ( 1.583 0.000 -7.767) 7.927 4.903 ( 1.583 -0.000 7.767) 7.927 5.219 ( -5.942 0.000 -4.980) 7.753 5.219 ( -5.942 -0.000 4.980) 7.753 5.357 ( -3.259 -0.000 -9.552) 10.093 5.357 ( -3.259 0.000 9.552) 10.093 5.765 ( -3.536 0.000 -4.950) 6.083 5.765 ( -3.536 0.000 4.950) 6.083 5.988 ( -4.647 0.000 -3.658) 5.914 5.988 ( -4.647 -0.000 3.658) 5.914 6.359 ( 6.054 0.000 -15.678) 16.806 6.359 ( 6.054 0.000 15.678) 16.806 6.488 ( 9.150 0.000 -9.026) 12.853 6.488 ( 9.150 0.000 9.026) 12.853 7.245 ( -0.281 0.000 -1.394) 1.422 7.245 ( -0.281 0.000 1.394) 1.422 7.390 ( -8.663 -0.000 -2.077) 8.908 7.390 ( -8.663 0.000 2.077) 8.908 7.903 ( 7.742 0.000 -5.188) 9.319 7.903 ( 7.742 -0.000 5.188) 9.319 8.072 ( 4.924 -0.000 -6.292) 7.989 8.072 ( 4.924 0.000 6.292) 7.989 8.198 ( 1.006 -0.000 -4.861) 4.963 8.198 ( 1.006 0.000 4.861) 4.963 8.412 ( 5.753 0.000 -1.726) 6.006 8.412 ( 5.753 0.000 1.726) 6.006 9.558 ( -1.218 0.000 -0.836) 1.478 9.558 ( -1.218 0.000 0.836) 1.478 9.656 ( -2.199 0.000 -6.597) 6.954 9.656 ( -2.199 0.000 6.597) 6.954 11.458 ( -0.834 0.000 -3.143) 3.252 11.458 ( -0.834 0.000 3.143) 3.252 11.556 ( -1.211 -0.000 -3.297) 3.512 11.556 ( -1.211 0.000 3.297) 3.512 13.011 ( -4.532 0.000 -5.835) 7.388 13.011 ( -4.532 -0.000 5.835) 7.388 13.159 ( -2.473 -0.000 -2.648) 3.623 13.159 ( -2.473 0.000 2.648) 3.623 15.654 ( -4.426 0.000 -5.841) 7.329 15.654 ( -4.426 0.000 5.841) 7.329 15.831 ( -0.969 0.000 -9.621) 9.670 15.831 ( -0.969 0.000 9.621) 9.670 16.186 ( 0.560 -0.000 -9.423) 9.440 16.186 ( 0.560 0.000 9.423) 9.440 16.344 ( 5.962 -0.000 -1.936) 6.269 16.344 ( 5.962 0.000 1.936) 6.269 18.096 ( -9.681 -0.000 -12.822) 16.066 18.096 ( -9.681 0.000 12.822) 16.066 18.678 ( -3.502 0.000 -5.479) 6.503 18.678 ( -3.502 0.000 5.479) 6.503 19.341 ( 2.230 0.000 -3.535) 4.179 19.341 ( 2.230 0.000 3.535) 4.179 19.519 ( 2.607 0.000 -6.673) 7.164 19.519 ( 2.607 0.000 6.673) 7.164 21.729 ( -2.507 0.000 -6.084) 6.581 21.729 ( -2.507 0.000 6.084) 6.581 21.798 ( -3.481 0.000 -8.393) 9.087 21.798 ( -3.481 0.000 8.393) 9.087 22.520 ( 0.288 0.000 -8.432) 8.437 22.520 ( 0.288 0.000 8.432) 8.437 22.785 ( 1.122 0.000 -4.708) 4.840 22.785 ( 1.122 0.000 4.708) 4.840 ======================= Grid point 331 (106/108) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -7.514 -0.000 -25.943) 27.009 2.193 ( -7.514 0.000 25.943) 27.009 2.598 ( 2.135 -0.000 -9.260) 9.503 2.598 ( 2.135 -0.000 9.260) 9.503 2.621 ( 3.955 0.000 -12.772) 13.371 2.621 ( 3.955 -0.000 12.772) 13.371 3.086 ( -24.896 -0.000 -13.612) 28.374 3.086 ( -24.896 0.000 13.612) 28.374 4.078 ( 9.295 0.000 -8.451) 12.563 4.078 ( 9.295 0.000 8.451) 12.563 4.839 ( -7.407 0.000 -12.356) 14.406 4.839 ( -7.407 -0.000 12.356) 14.406 5.129 ( -3.122 0.000 -3.174) 4.453 5.129 ( -3.122 -0.000 3.174) 4.453 5.304 ( -2.878 -0.000 -7.335) 7.880 5.304 ( -2.878 0.000 7.335) 7.880 5.736 ( 0.175 0.000 -5.354) 5.357 5.736 ( 0.175 0.000 5.354) 5.357 5.889 ( -4.733 -0.000 -2.668) 5.433 5.889 ( -4.733 -0.000 2.668) 5.433 6.505 ( 8.700 0.000 -13.736) 16.259 6.505 ( 8.700 0.000 13.736) 16.259 6.663 ( 9.049 0.000 -8.559) 12.455 6.663 ( 9.049 0.000 8.559) 12.455 7.224 ( -8.556 0.000 -1.676) 8.719 7.224 ( -8.556 0.000 1.676) 8.719 7.230 ( -1.982 -0.000 -4.595) 5.004 7.230 ( -1.982 0.000 4.595) 5.004 8.000 ( 2.676 -0.000 -2.844) 3.905 8.000 ( 2.676 -0.000 2.844) 3.905 8.074 ( -2.210 0.000 -5.527) 5.953 8.074 ( -2.210 0.000 5.527) 5.953 8.310 ( 8.117 0.000 -7.620) 11.133 8.310 ( 8.117 0.000 7.620) 11.133 8.531 ( 5.853 0.000 -3.524) 6.832 8.531 ( 5.853 0.000 3.524) 6.832 9.549 ( 0.145 0.000 -0.258) 0.296 9.549 ( 0.145 0.000 0.258) 0.296 9.602 ( -2.990 0.000 -7.380) 7.963 9.602 ( -2.990 0.000 7.380) 7.963 11.453 ( 0.213 0.000 -4.130) 4.136 11.453 ( 0.213 0.000 4.130) 4.136 11.523 ( -2.028 -0.000 -2.827) 3.479 11.523 ( -2.028 0.000 2.827) 3.479 12.933 ( -3.215 0.000 -5.271) 6.174 12.933 ( -3.215 0.000 5.271) 6.174 13.091 ( -4.377 -0.000 -1.363) 4.585 13.091 ( -4.377 0.000 1.363) 4.585 15.579 ( -2.941 0.000 -5.505) 6.241 15.579 ( -2.941 -0.000 5.505) 6.241 15.774 ( -4.664 0.000 -12.330) 13.182 15.774 ( -4.664 0.000 12.330) 13.182 16.233 ( 4.238 -0.000 -4.622) 6.271 16.233 ( 4.238 0.000 4.622) 6.271 16.454 ( 4.683 0.000 -4.112) 6.232 16.454 ( 4.683 0.000 4.112) 6.232 17.960 ( -3.810 -0.000 -13.329) 13.863 17.960 ( -3.810 0.000 13.329) 13.863 18.548 ( -9.442 0.000 -3.551) 10.088 18.548 ( -9.442 0.000 3.551) 10.088 19.403 ( 3.765 0.000 -2.360) 4.443 19.403 ( 3.765 0.000 2.360) 4.443 19.554 ( 0.993 0.000 -6.442) 6.518 19.554 ( 0.993 0.000 6.442) 6.518 21.690 ( -1.504 0.000 -4.627) 4.865 21.690 ( -1.504 0.000 4.627) 4.865 21.732 ( -3.103 0.000 -7.888) 8.477 21.732 ( -3.103 0.000 7.888) 8.477 22.547 ( 2.253 0.000 -8.620) 8.910 22.547 ( 2.253 0.000 8.620) 8.910 22.778 ( -1.670 0.000 -5.165) 5.428 22.778 ( -1.670 0.000 5.165) 5.428 ======================= Grid point 335 (107/108) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.185 -0.000 -15.419) 15.420 2.106 ( 0.185 -0.000 15.419) 15.420 2.541 ( -16.848 0.000 -7.352) 18.382 2.541 ( -16.848 0.000 7.352) 18.382 2.674 ( 4.396 0.000 -7.504) 8.697 2.674 ( 4.396 -0.000 7.504) 8.697 2.765 ( -3.281 0.000 -5.020) 5.997 2.765 ( -3.281 -0.000 5.020) 5.997 4.258 ( 9.559 0.000 -9.872) 13.742 4.258 ( 9.559 0.000 9.872) 13.742 4.657 ( -10.699 0.000 -13.858) 17.508 4.657 ( -10.699 0.000 13.858) 17.508 5.106 ( 0.744 0.000 -2.393) 2.506 5.106 ( 0.744 -0.000 2.393) 2.506 5.233 ( -4.379 0.000 -3.157) 5.398 5.233 ( -4.379 0.000 3.157) 5.398 5.756 ( 1.539 -0.000 -3.927) 4.218 5.756 ( 1.539 0.000 3.927) 4.218 5.822 ( -2.354 -0.000 -1.357) 2.717 5.822 ( -2.354 -0.000 1.357) 2.717 6.678 ( 9.035 0.000 -11.915) 14.953 6.678 ( 9.035 0.000 11.915) 14.953 6.825 ( 7.083 0.000 -8.498) 11.063 6.825 ( 7.083 0.000 8.498) 11.063 7.070 ( -6.921 0.000 -6.518) 9.507 7.070 ( -6.921 0.000 6.518) 9.507 7.161 ( -5.086 -0.000 -10.968) 12.090 7.161 ( -5.086 0.000 10.968) 12.090 8.024 ( 0.277 -0.000 -3.655) 3.666 8.024 ( 0.277 -0.000 3.655) 3.666 8.037 ( -1.352 0.000 -5.383) 5.550 8.037 ( -1.352 0.000 5.383) 5.550 8.460 ( 7.157 0.000 -8.168) 10.860 8.460 ( 7.157 0.000 8.168) 10.860 8.603 ( 1.118 -0.000 -4.783) 4.912 8.603 ( 1.118 0.000 4.783) 4.912 9.554 ( 0.118 -0.000 -1.195) 1.201 9.554 ( 0.118 0.000 1.196) 1.201 9.558 ( -1.265 -0.000 -6.111) 6.241 9.558 ( -1.265 -0.000 6.112) 6.241 11.461 ( 0.433 0.000 -4.599) 4.620 11.461 ( 0.433 -0.000 4.599) 4.620 11.488 ( -1.419 0.000 -3.199) 3.500 11.488 ( -1.419 -0.000 3.199) 3.500 12.898 ( -0.297 0.000 -3.974) 3.985 12.898 ( -0.297 0.000 3.974) 3.985 13.001 ( -4.728 -0.000 -0.898) 4.813 13.001 ( -4.728 0.000 0.898) 4.813 15.552 ( 0.178 0.000 -6.314) 6.317 15.552 ( 0.178 -0.000 6.314) 6.317 15.673 ( -5.333 0.000 -11.220) 12.423 15.673 ( -5.333 0.000 11.220) 12.423 16.334 ( 5.907 0.000 -2.570) 6.442 16.334 ( 5.907 0.000 2.570) 6.442 16.497 ( -0.509 0.000 -3.745) 3.779 16.497 ( -0.509 0.000 3.745) 3.779 17.967 ( 4.554 -0.000 -9.833) 10.837 17.967 ( 4.554 0.000 9.833) 10.837 18.339 ( -11.836 0.000 -1.738) 11.962 18.339 ( -11.836 0.000 1.738) 11.962 19.473 ( 3.373 0.000 -3.030) 4.534 19.473 ( 3.373 0.000 3.030) 4.534 19.557 ( -0.728 0.000 -5.686) 5.733 19.557 ( -0.728 0.000 5.686) 5.733 21.671 ( -0.559 0.000 -2.072) 2.146 21.671 ( -0.559 0.000 2.072) 2.146 21.687 ( -1.600 0.000 -4.892) 5.147 21.687 ( -1.600 0.000 4.892) 5.147 22.599 ( 3.109 0.000 -7.443) 8.066 22.599 ( 3.109 0.000 7.443) 8.066 22.729 ( -3.199 0.000 -5.426) 6.299 22.729 ( -3.199 0.000 5.426) 6.299 ======================= Grid point 339 (108/108) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -12.430 -0.000 -7.310) 14.420 2.228 ( 12.430 0.000 -7.310) 14.420 2.228 ( -12.430 -0.000 7.310) 14.420 2.228 ( 12.430 0.000 7.310) 14.420 2.739 ( -2.029 0.000 -7.276) 7.554 2.739 ( 2.030 0.000 -7.276) 7.554 2.739 ( -2.029 0.000 7.277) 7.554 2.739 ( 2.030 0.000 7.277) 7.554 4.450 ( -10.586 0.000 -12.265) 16.202 4.450 ( 10.586 0.000 -12.265) 16.202 4.450 ( -10.586 0.000 12.265) 16.202 4.450 ( 10.586 0.000 12.265) 16.202 5.151 ( -3.681 0.000 -1.796) 4.096 5.151 ( 3.682 0.000 -1.796) 4.096 5.151 ( -3.681 -0.000 1.796) 4.096 5.151 ( 3.681 0.000 1.796) 4.096 5.787 ( -1.621 -0.000 -1.803) 2.424 5.787 ( 1.621 -0.000 -1.803) 2.424 5.787 ( -1.621 0.000 1.803) 2.424 5.787 ( 1.621 0.000 1.803) 2.424 6.836 ( -6.538 0.000 -12.184) 13.828 6.836 ( 6.538 -0.000 -12.184) 13.828 6.836 ( -6.538 0.000 12.184) 13.828 6.836 ( 6.539 0.000 12.184) 13.828 7.051 ( -5.320 0.000 -15.567) 16.451 7.051 ( 5.320 0.000 -15.567) 16.451 7.051 ( -5.320 0.000 15.567) 16.451 7.051 ( 5.320 0.000 15.567) 16.451 8.025 ( -0.079 -0.000 -5.034) 5.034 8.025 ( 0.079 0.000 -5.034) 5.034 8.025 ( -0.079 0.000 5.034) 5.034 8.025 ( 0.079 0.000 5.034) 5.034 8.572 ( -4.114 0.000 -6.915) 8.046 8.572 ( 4.114 0.000 -6.915) 8.047 8.572 ( -4.114 0.000 6.915) 8.047 8.572 ( 4.114 0.000 6.916) 8.047 9.551 ( -0.207 0.000 -3.428) 3.434 9.551 ( 0.207 0.000 -3.428) 3.434 9.551 ( -0.207 0.000 3.428) 3.434 9.551 ( 0.207 -0.000 3.428) 3.434 11.470 ( -0.594 0.000 -4.152) 4.195 11.470 ( 0.594 -0.000 -4.152) 4.195 11.470 ( -0.594 -0.000 4.152) 4.195 11.470 ( 0.594 0.000 4.152) 4.195 12.924 ( -2.936 0.000 -2.236) 3.691 12.924 ( 2.936 0.000 -2.236) 3.691 12.924 ( -2.936 -0.000 2.236) 3.691 12.924 ( 2.936 0.000 2.236) 3.691 15.587 ( -3.388 0.000 -8.583) 9.227 15.587 ( 3.388 0.000 -8.583) 9.227 15.587 ( -3.388 0.000 8.583) 9.227 15.587 ( 3.388 0.000 8.583) 9.227 16.441 ( -4.800 0.000 -2.180) 5.272 16.441 ( 4.800 0.000 -2.180) 5.272 16.441 ( -4.800 0.000 2.180) 5.272 16.441 ( 4.800 0.000 2.180) 5.272 18.118 ( -10.463 0.000 -4.682) 11.463 18.118 ( 10.463 0.000 -4.682) 11.463 18.118 ( -10.463 0.000 4.682) 11.463 18.118 ( 10.463 0.000 4.682) 11.463 19.528 ( -2.247 0.000 -4.446) 4.981 19.528 ( 2.247 0.000 -4.446) 4.981 19.528 ( -2.247 0.000 4.446) 4.981 19.528 ( 2.247 0.000 4.446) 4.982 21.668 ( -0.362 0.000 -1.239) 1.291 21.668 ( 0.362 0.000 -1.239) 1.291 21.668 ( -0.362 0.000 1.239) 1.291 21.668 ( 0.362 0.000 1.239) 1.291 22.663 ( -3.505 0.000 -6.177) 7.102 22.663 ( 3.505 0.000 -6.177) 7.102 22.663 ( -3.505 0.000 6.177) 7.102 22.663 ( 3.505 0.000 6.177) 7.103 =================== 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 3/28800 10.0 984.635 659.781 608.377 0.000 0.000 -0.000 3/28800 20.0 283.118 197.727 282.671 0.000 0.000 -0.000 3/28800 30.0 144.938 104.905 157.920 0.000 0.000 -0.000 3/28800 40.0 84.081 61.415 100.811 0.000 0.000 0.000 3/28800 50.0 53.255 38.921 68.150 0.000 0.000 0.000 3/28800 60.0 36.642 26.744 48.856 0.000 0.000 0.000 3/28800 70.0 27.025 19.702 37.001 0.000 0.000 0.000 3/28800 80.0 21.046 15.334 29.340 0.000 0.000 0.000 3/28800 90.0 17.086 12.447 24.134 0.000 0.000 0.000 3/28800 100.0 14.322 10.434 20.431 0.000 0.000 0.000 3/28800 110.0 12.304 8.965 17.692 0.000 0.000 0.000 3/28800 120.0 10.779 7.854 15.597 0.000 0.000 0.000 3/28800 130.0 9.591 6.987 13.950 0.000 0.000 0.000 3/28800 140.0 8.642 6.294 12.625 0.000 0.000 0.000 3/28800 150.0 7.869 5.728 11.537 0.000 0.000 0.000 3/28800 160.0 7.227 5.257 10.628 0.000 0.000 0.000 3/28800 170.0 6.687 4.860 9.858 0.000 0.000 0.000 3/28800 180.0 6.226 4.520 9.198 0.000 0.000 0.000 3/28800 190.0 5.829 4.227 8.626 0.000 0.000 0.000 3/28800 200.0 5.483 3.970 8.124 0.000 0.000 0.000 3/28800 210.0 5.178 3.744 7.682 0.000 0.000 0.000 3/28800 220.0 4.908 3.544 7.287 0.000 0.000 0.000 3/28800 230.0 4.666 3.364 6.934 0.000 0.000 0.000 3/28800 240.0 4.450 3.203 6.616 0.000 0.000 0.000 3/28800 250.0 4.254 3.057 6.327 0.000 0.000 0.000 3/28800 260.0 4.075 2.924 6.065 0.000 0.000 0.000 3/28800 270.0 3.913 2.803 5.824 0.000 0.000 0.000 3/28800 280.0 3.763 2.692 5.603 0.000 0.000 0.000 3/28800 290.0 3.626 2.590 5.399 0.000 0.000 0.000 3/28800 300.0 3.499 2.496 5.210 0.000 0.000 0.000 3/28800 310.0 3.381 2.408 5.034 0.000 0.000 0.000 3/28800 320.0 3.271 2.327 4.871 0.000 0.000 0.000 3/28800 330.0 3.169 2.251 4.718 0.000 0.000 0.000 3/28800 340.0 3.073 2.180 4.575 0.000 0.000 0.000 3/28800 350.0 2.983 2.113 4.441 0.000 0.000 0.000 3/28800 360.0 2.898 2.051 4.315 0.000 0.000 0.000 3/28800 370.0 2.819 1.992 4.196 0.000 0.000 0.000 3/28800 380.0 2.743 1.937 4.083 0.000 0.000 0.000 3/28800 390.0 2.672 1.885 3.977 0.000 0.000 0.000 3/28800 400.0 2.605 1.836 3.876 0.000 0.000 0.000 3/28800 410.0 2.541 1.789 3.781 0.000 0.000 0.000 3/28800 420.0 2.480 1.744 3.690 0.000 0.000 0.000 3/28800 430.0 2.422 1.702 3.603 0.000 0.000 0.000 3/28800 440.0 2.367 1.662 3.521 0.000 0.000 0.000 3/28800 450.0 2.315 1.624 3.442 0.000 0.000 0.000 3/28800 460.0 2.264 1.587 3.367 0.000 0.000 0.000 3/28800 470.0 2.216 1.552 3.295 0.000 0.000 0.000 3/28800 480.0 2.170 1.519 3.226 0.000 0.000 0.000 3/28800 490.0 2.126 1.487 3.160 0.000 0.000 0.000 3/28800 500.0 2.084 1.456 3.097 0.000 0.000 0.000 3/28800 510.0 2.043 1.427 3.037 0.000 0.000 0.000 3/28800 520.0 2.004 1.399 2.978 0.000 0.000 0.000 3/28800 530.0 1.967 1.372 2.922 0.000 0.000 0.000 3/28800 540.0 1.930 1.346 2.868 0.000 0.000 0.000 3/28800 550.0 1.896 1.321 2.816 0.000 0.000 0.000 3/28800 560.0 1.862 1.297 2.766 0.000 0.000 0.000 3/28800 570.0 1.830 1.274 2.717 0.000 0.000 0.000 3/28800 580.0 1.798 1.251 2.671 0.000 0.000 0.000 3/28800 590.0 1.768 1.230 2.626 0.000 0.000 0.000 3/28800 600.0 1.739 1.209 2.582 0.000 0.000 0.000 3/28800 610.0 1.711 1.189 2.540 0.000 0.000 0.000 3/28800 620.0 1.683 1.169 2.499 0.000 0.000 0.000 3/28800 630.0 1.657 1.150 2.460 0.000 0.000 0.000 3/28800 640.0 1.631 1.132 2.421 0.000 0.000 0.000 3/28800 650.0 1.606 1.115 2.384 0.000 0.000 0.000 3/28800 660.0 1.582 1.097 2.348 0.000 0.000 0.000 3/28800 670.0 1.559 1.081 2.313 0.000 0.000 0.000 3/28800 680.0 1.536 1.065 2.280 0.000 0.000 0.000 3/28800 690.0 1.514 1.049 2.247 0.000 0.000 0.000 3/28800 700.0 1.493 1.034 2.215 0.000 0.000 0.000 3/28800 710.0 1.472 1.019 2.184 0.000 0.000 0.000 3/28800 720.0 1.451 1.005 2.154 0.000 0.000 0.000 3/28800 730.0 1.432 0.991 2.124 0.000 0.000 0.000 3/28800 740.0 1.413 0.977 2.096 0.000 0.000 0.000 3/28800 750.0 1.394 0.964 2.068 0.000 0.000 0.000 3/28800 760.0 1.376 0.952 2.041 0.000 0.000 0.000 3/28800 770.0 1.358 0.939 2.015 0.000 0.000 0.000 3/28800 780.0 1.341 0.927 1.989 0.000 0.000 0.000 3/28800 790.0 1.324 0.915 1.964 0.000 0.000 0.000 3/28800 800.0 1.308 0.904 1.939 0.000 0.000 0.000 3/28800 810.0 1.292 0.892 1.916 0.000 0.000 0.000 3/28800 820.0 1.276 0.881 1.892 0.000 0.000 0.000 3/28800 830.0 1.261 0.871 1.870 0.000 0.000 0.000 3/28800 840.0 1.246 0.860 1.848 0.000 0.000 0.000 3/28800 850.0 1.231 0.850 1.826 0.000 0.000 0.000 3/28800 860.0 1.217 0.840 1.805 0.000 0.000 0.000 3/28800 870.0 1.203 0.830 1.784 0.000 0.000 0.000 3/28800 880.0 1.190 0.821 1.764 0.000 0.000 0.000 3/28800 890.0 1.177 0.812 1.744 0.000 0.000 0.000 3/28800 900.0 1.164 0.803 1.725 0.000 0.000 0.000 3/28800 910.0 1.151 0.794 1.706 0.000 0.000 0.000 3/28800 920.0 1.138 0.785 1.688 0.000 0.000 0.000 3/28800 930.0 1.126 0.776 1.670 0.000 0.000 0.000 3/28800 940.0 1.114 0.768 1.652 0.000 0.000 0.000 3/28800 950.0 1.103 0.760 1.635 0.000 0.000 0.000 3/28800 960.0 1.091 0.752 1.618 0.000 0.000 0.000 3/28800 970.0 1.080 0.744 1.601 0.000 0.000 0.000 3/28800 980.0 1.069 0.737 1.585 0.000 0.000 0.000 3/28800 990.0 1.059 0.729 1.569 0.000 0.000 0.000 3/28800 1000.0 1.048 0.722 1.553 0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|