----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:19:33]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751910660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.751910660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.269358170000000 Atomic positions (fractional): *1 O 0.70347613111635 0.70347613111635 0.66794772622677 15.999 2 O 0.29652386888365 0.29652386888365 0.66794772622677 15.999 3 O 0.70347613111635 0.70347613111635 0.33205227377323 15.999 4 O 0.20347613111635 0.79652386888365 0.16794772622677 15.999 5 O 0.79652386888365 0.20347613111635 0.16794772622677 15.999 6 O 0.79652386888365 0.20347613111635 0.83205227377323 15.999 *7 O 0.31380277432222 0.31380277432222 0.00000000000000 15.999 8 O 0.18619722567778 0.81380277432222 0.50000000000000 15.999 9 O 0.81380277432222 0.18619722567778 0.50000000000000 15.999 10 O 0.68619722567778 0.68619722567778 0.00000000000000 15.999 11 O 0.29652386888365 0.29652386888365 0.33205227377323 15.999 12 O 0.20347613111635 0.79652386888365 0.83205227377323 15.999 *13 Rh 0.00000000000000 0.00000000000000 0.32934885196174 102.906 14 Rh 0.50000000000000 0.50000000000000 0.82934885196174 102.906 15 Rh 0.00000000000000 0.00000000000000 0.67065114803826 102.906 16 Rh 0.50000000000000 0.50000000000000 0.17065114803827 102.906 *17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 18 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.751910660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.751910660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.269358170000000 Atomic positions (fractional): *1 O 0.70347613111635 0.70347613111635 0.66794772622677 15.999 > 1 2 O 0.29652386888365 0.29652386888365 0.66794772622677 15.999 > 2 3 O 0.70347613111635 0.70347613111635 0.33205227377323 15.999 > 3 4 O 0.20347613111635 0.79652386888365 0.16794772622677 15.999 > 4 5 O 0.79652386888365 0.20347613111635 0.16794772622677 15.999 > 5 6 O 0.79652386888365 0.20347613111635 0.83205227377323 15.999 > 6 *7 O 0.31380277432222 0.31380277432222 0.00000000000000 15.999 > 7 8 O 0.18619722567778 0.81380277432222 0.50000000000000 15.999 > 8 9 O 0.81380277432222 0.18619722567778 0.50000000000000 15.999 > 9 10 O 0.68619722567778 0.68619722567778 0.00000000000000 15.999 > 10 11 O 0.29652386888365 0.29652386888365 0.33205227377323 15.999 > 11 12 O 0.20347613111635 0.79652386888365 0.83205227377323 15.999 > 12 *13 Rh 0.00000000000000 0.00000000000000 0.32934885196174 102.906 > 13 14 Rh 0.50000000000000 0.50000000000000 0.82934885196174 102.906 > 14 15 Rh 0.00000000000000 0.00000000000000 0.67065114803826 102.906 > 15 16 Rh 0.50000000000000 0.50000000000000 0.17065114803827 102.906 > 16 *17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 17 18 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.503821320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.503821320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.538716340000001 Atomic positions (fractional): *1 O 0.35173806555817 0.35173806555817 0.33397386311338 15.999 > 1 2 O 0.85173806555817 0.35173806555817 0.33397386311338 15.999 > 1 3 O 0.35173806555817 0.85173806555817 0.33397386311338 15.999 > 1 4 O 0.85173806555817 0.85173806555817 0.33397386311338 15.999 > 1 5 O 0.35173806555817 0.35173806555817 0.83397386311338 15.999 > 1 6 O 0.85173806555817 0.35173806555817 0.83397386311338 15.999 > 1 7 O 0.35173806555817 0.85173806555817 0.83397386311338 15.999 > 1 8 O 0.85173806555817 0.85173806555817 0.83397386311338 15.999 > 1 9 O 0.14826193444183 0.14826193444183 0.33397386311338 15.999 > 2 10 O 0.64826193444183 0.14826193444183 0.33397386311338 15.999 > 2 11 O 0.14826193444183 0.64826193444183 0.33397386311338 15.999 > 2 12 O 0.64826193444183 0.64826193444183 0.33397386311338 15.999 > 2 13 O 0.14826193444183 0.14826193444183 0.83397386311338 15.999 > 2 14 O 0.64826193444183 0.14826193444183 0.83397386311338 15.999 > 2 15 O 0.14826193444183 0.64826193444183 0.83397386311338 15.999 > 2 16 O 0.64826193444183 0.64826193444183 0.83397386311338 15.999 > 2 17 O 0.35173806555817 0.35173806555817 0.16602613688662 15.999 > 3 18 O 0.85173806555817 0.35173806555817 0.16602613688662 15.999 > 3 19 O 0.35173806555817 0.85173806555817 0.16602613688662 15.999 > 3 20 O 0.85173806555817 0.85173806555817 0.16602613688662 15.999 > 3 21 O 0.35173806555817 0.35173806555817 0.66602613688662 15.999 > 3 22 O 0.85173806555817 0.35173806555817 0.66602613688662 15.999 > 3 23 O 0.35173806555817 0.85173806555817 0.66602613688662 15.999 > 3 24 O 0.85173806555817 0.85173806555817 0.66602613688662 15.999 > 3 25 O 0.10173806555817 0.39826193444183 0.08397386311338 15.999 > 4 26 O 0.60173806555817 0.39826193444183 0.08397386311338 15.999 > 4 27 O 0.10173806555817 0.89826193444183 0.08397386311338 15.999 > 4 28 O 0.60173806555817 0.89826193444183 0.08397386311338 15.999 > 4 29 O 0.10173806555817 0.39826193444183 0.58397386311338 15.999 > 4 30 O 0.60173806555817 0.39826193444183 0.58397386311338 15.999 > 4 31 O 0.10173806555817 0.89826193444183 0.58397386311338 15.999 > 4 32 O 0.60173806555817 0.89826193444183 0.58397386311338 15.999 > 4 33 O 0.39826193444183 0.10173806555817 0.08397386311338 15.999 > 5 34 O 0.89826193444183 0.10173806555817 0.08397386311338 15.999 > 5 35 O 0.39826193444183 0.60173806555817 0.08397386311338 15.999 > 5 36 O 0.89826193444183 0.60173806555817 0.08397386311338 15.999 > 5 37 O 0.39826193444183 0.10173806555817 0.58397386311338 15.999 > 5 38 O 0.89826193444183 0.10173806555817 0.58397386311338 15.999 > 5 39 O 0.39826193444183 0.60173806555817 0.58397386311338 15.999 > 5 40 O 0.89826193444183 0.60173806555817 0.58397386311338 15.999 > 5 41 O 0.39826193444183 0.10173806555817 0.41602613688662 15.999 > 6 42 O 0.89826193444183 0.10173806555817 0.41602613688662 15.999 > 6 43 O 0.39826193444183 0.60173806555817 0.41602613688662 15.999 > 6 44 O 0.89826193444183 0.60173806555817 0.41602613688662 15.999 > 6 45 O 0.39826193444183 0.10173806555817 0.91602613688662 15.999 > 6 46 O 0.89826193444183 0.10173806555817 0.91602613688662 15.999 > 6 47 O 0.39826193444183 0.60173806555817 0.91602613688662 15.999 > 6 48 O 0.89826193444183 0.60173806555817 0.91602613688662 15.999 > 6 *49 O 0.15690138716111 0.15690138716111 0.00000000000000 15.999 > 7 50 O 0.65690138716111 0.15690138716111 0.00000000000000 15.999 > 7 51 O 0.15690138716111 0.65690138716111 0.00000000000000 15.999 > 7 52 O 0.65690138716111 0.65690138716111 0.00000000000000 15.999 > 7 53 O 0.15690138716111 0.15690138716111 0.50000000000000 15.999 > 7 54 O 0.65690138716111 0.15690138716111 0.50000000000000 15.999 > 7 55 O 0.15690138716111 0.65690138716111 0.50000000000000 15.999 > 7 56 O 0.65690138716111 0.65690138716111 0.50000000000000 15.999 > 7 57 O 0.09309861283889 0.40690138716111 0.25000000000000 15.999 > 8 58 O 0.59309861283889 0.40690138716111 0.25000000000000 15.999 > 8 59 O 0.09309861283889 0.90690138716111 0.25000000000000 15.999 > 8 60 O 0.59309861283889 0.90690138716111 0.25000000000000 15.999 > 8 61 O 0.09309861283889 0.40690138716111 0.75000000000000 15.999 > 8 62 O 0.59309861283889 0.40690138716111 0.75000000000000 15.999 > 8 63 O 0.09309861283889 0.90690138716111 0.75000000000000 15.999 > 8 64 O 0.59309861283889 0.90690138716111 0.75000000000000 15.999 > 8 65 O 0.40690138716111 0.09309861283889 0.25000000000000 15.999 > 9 66 O 0.90690138716111 0.09309861283889 0.25000000000000 15.999 > 9 67 O 0.40690138716111 0.59309861283889 0.25000000000000 15.999 > 9 68 O 0.90690138716111 0.59309861283889 0.25000000000000 15.999 > 9 69 O 0.40690138716111 0.09309861283889 0.75000000000000 15.999 > 9 70 O 0.90690138716111 0.09309861283889 0.75000000000000 15.999 > 9 71 O 0.40690138716111 0.59309861283889 0.75000000000000 15.999 > 9 72 O 0.90690138716111 0.59309861283889 0.75000000000000 15.999 > 9 73 O 0.34309861283889 0.34309861283889 0.00000000000000 15.999 > 10 74 O 0.84309861283889 0.34309861283889 0.00000000000000 15.999 > 10 75 O 0.34309861283889 0.84309861283889 0.00000000000000 15.999 > 10 76 O 0.84309861283889 0.84309861283889 0.00000000000000 15.999 > 10 77 O 0.34309861283889 0.34309861283889 0.50000000000000 15.999 > 10 78 O 0.84309861283889 0.34309861283889 0.50000000000000 15.999 > 10 79 O 0.34309861283889 0.84309861283889 0.50000000000000 15.999 > 10 80 O 0.84309861283889 0.84309861283889 0.50000000000000 15.999 > 10 81 O 0.14826193444183 0.14826193444183 0.16602613688662 15.999 > 11 82 O 0.64826193444183 0.14826193444183 0.16602613688662 15.999 > 11 83 O 0.14826193444183 0.64826193444183 0.16602613688662 15.999 > 11 84 O 0.64826193444183 0.64826193444183 0.16602613688662 15.999 > 11 85 O 0.14826193444183 0.14826193444183 0.66602613688662 15.999 > 11 86 O 0.64826193444183 0.14826193444183 0.66602613688662 15.999 > 11 87 O 0.14826193444183 0.64826193444183 0.66602613688662 15.999 > 11 88 O 0.64826193444183 0.64826193444183 0.66602613688662 15.999 > 11 89 O 0.10173806555817 0.39826193444183 0.41602613688662 15.999 > 12 90 O 0.60173806555817 0.39826193444183 0.41602613688662 15.999 > 12 91 O 0.10173806555817 0.89826193444183 0.41602613688662 15.999 > 12 92 O 0.60173806555817 0.89826193444183 0.41602613688662 15.999 > 12 93 O 0.10173806555817 0.39826193444183 0.91602613688662 15.999 > 12 94 O 0.60173806555817 0.39826193444183 0.91602613688662 15.999 > 12 95 O 0.10173806555817 0.89826193444183 0.91602613688662 15.999 > 12 96 O 0.60173806555817 0.89826193444183 0.91602613688662 15.999 > 12 *97 Rh 0.00000000000000 0.00000000000000 0.16467442598087 102.906 > 13 98 Rh 0.50000000000000 0.00000000000000 0.16467442598087 102.906 > 13 99 Rh 0.00000000000000 0.50000000000000 0.16467442598087 102.906 > 13 100 Rh 0.50000000000000 0.50000000000000 0.16467442598087 102.906 > 13 101 Rh 0.00000000000000 0.00000000000000 0.66467442598087 102.906 > 13 102 Rh 0.50000000000000 0.00000000000000 0.66467442598087 102.906 > 13 103 Rh 0.00000000000000 0.50000000000000 0.66467442598087 102.906 > 13 104 Rh 0.50000000000000 0.50000000000000 0.66467442598087 102.906 > 13 105 Rh 0.25000000000000 0.25000000000000 0.41467442598087 102.906 > 14 106 Rh 0.75000000000000 0.25000000000000 0.41467442598087 102.906 > 14 107 Rh 0.25000000000000 0.75000000000000 0.41467442598087 102.906 > 14 108 Rh 0.75000000000000 0.75000000000000 0.41467442598087 102.906 > 14 109 Rh 0.25000000000000 0.25000000000000 0.91467442598087 102.906 > 14 110 Rh 0.75000000000000 0.25000000000000 0.91467442598087 102.906 > 14 111 Rh 0.25000000000000 0.75000000000000 0.91467442598087 102.906 > 14 112 Rh 0.75000000000000 0.75000000000000 0.91467442598087 102.906 > 14 113 Rh 0.00000000000000 0.00000000000000 0.33532557401913 102.906 > 15 114 Rh 0.50000000000000 0.00000000000000 0.33532557401913 102.906 > 15 115 Rh 0.00000000000000 0.50000000000000 0.33532557401913 102.906 > 15 116 Rh 0.50000000000000 0.50000000000000 0.33532557401913 102.906 > 15 117 Rh 0.00000000000000 0.00000000000000 0.83532557401913 102.906 > 15 118 Rh 0.50000000000000 0.00000000000000 0.83532557401913 102.906 > 15 119 Rh 0.00000000000000 0.50000000000000 0.83532557401913 102.906 > 15 120 Rh 0.50000000000000 0.50000000000000 0.83532557401913 102.906 > 15 121 Rh 0.25000000000000 0.25000000000000 0.08532557401913 102.906 > 16 122 Rh 0.75000000000000 0.25000000000000 0.08532557401913 102.906 > 16 123 Rh 0.25000000000000 0.75000000000000 0.08532557401913 102.906 > 16 124 Rh 0.75000000000000 0.75000000000000 0.08532557401913 102.906 > 16 125 Rh 0.25000000000000 0.25000000000000 0.58532557401913 102.906 > 16 126 Rh 0.75000000000000 0.25000000000000 0.58532557401913 102.906 > 16 127 Rh 0.25000000000000 0.75000000000000 0.58532557401913 102.906 > 16 128 Rh 0.75000000000000 0.75000000000000 0.58532557401913 102.906 > 16 *129 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 17 130 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 17 131 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 17 132 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 17 133 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 17 134 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 17 135 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 17 136 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 17 137 U 0.25000000000000 0.25000000000000 0.25000000000000 238.029 > 18 138 U 0.75000000000000 0.25000000000000 0.25000000000000 238.029 > 18 139 U 0.25000000000000 0.75000000000000 0.25000000000000 238.029 > 18 140 U 0.75000000000000 0.75000000000000 0.25000000000000 238.029 > 18 141 U 0.25000000000000 0.25000000000000 0.75000000000000 238.029 > 18 142 U 0.75000000000000 0.25000000000000 0.75000000000000 238.029 > 18 143 U 0.25000000000000 0.75000000000000 0.75000000000000 238.029 > 18 144 U 0.75000000000000 0.75000000000000 0.75000000000000 238.029 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4021675 0.0000000 0.0000000 0.0000000 13.4021675 0.0000000 0.0000000 0.0000000 12.6049845 -------------------------- Born effective charges -------------------------- 1 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 2 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 3 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 4 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 5 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 6 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 7 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 8 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 9 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 10 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 11 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 12 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 13 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 14 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 15 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 16 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 17 U 7.3352183 1.1959352 0.0000000 1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 18 U 7.3352183 -1.1959352 0.0000000 -1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 1.037 Solver_block: 160 / 160 - Time: 0.688 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.745 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:19:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751910660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.751910660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.269358170000000 Atomic positions (fractional): 1 O 0.70347613111635 0.70347613111635 0.66794772622677 15.999 2 O 0.29652386888365 0.29652386888365 0.66794772622677 15.999 3 O 0.70347613111635 0.70347613111635 0.33205227377323 15.999 4 O 0.20347613111635 0.79652386888365 0.16794772622677 15.999 5 O 0.79652386888365 0.20347613111635 0.16794772622677 15.999 6 O 0.79652386888365 0.20347613111635 0.83205227377323 15.999 7 O 0.31380277432222 0.31380277432222 0.00000000000000 15.999 8 O 0.18619722567778 0.81380277432222 0.50000000000000 15.999 9 O 0.81380277432222 0.18619722567778 0.50000000000000 15.999 10 O 0.68619722567778 0.68619722567778 0.00000000000000 15.999 11 O 0.29652386888365 0.29652386888365 0.33205227377323 15.999 12 O 0.20347613111635 0.79652386888365 0.83205227377323 15.999 13 Rh 0.00000000000000 0.00000000000000 0.32934885196174 102.906 14 Rh 0.50000000000000 0.50000000000000 0.82934885196174 102.906 15 Rh 0.00000000000000 0.00000000000000 0.67065114803826 102.906 16 Rh 0.50000000000000 0.50000000000000 0.17065114803827 102.906 17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 18 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.503821320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.503821320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.538716340000001 Atomic positions (fractional): 1 O 0.35173806555817 0.35173806555817 0.33397386311338 15.999 > 1 2 O 0.85173806555817 0.35173806555817 0.33397386311338 15.999 > 1 3 O 0.35173806555817 0.85173806555817 0.33397386311338 15.999 > 1 4 O 0.85173806555817 0.85173806555817 0.33397386311338 15.999 > 1 5 O 0.35173806555817 0.35173806555817 0.83397386311338 15.999 > 1 6 O 0.85173806555817 0.35173806555817 0.83397386311338 15.999 > 1 7 O 0.35173806555817 0.85173806555817 0.83397386311338 15.999 > 1 8 O 0.85173806555817 0.85173806555817 0.83397386311338 15.999 > 1 9 O 0.14826193444183 0.14826193444183 0.33397386311338 15.999 > 9 10 O 0.64826193444183 0.14826193444183 0.33397386311338 15.999 > 9 11 O 0.14826193444183 0.64826193444183 0.33397386311338 15.999 > 9 12 O 0.64826193444183 0.64826193444183 0.33397386311338 15.999 > 9 13 O 0.14826193444183 0.14826193444183 0.83397386311338 15.999 > 9 14 O 0.64826193444183 0.14826193444183 0.83397386311338 15.999 > 9 15 O 0.14826193444183 0.64826193444183 0.83397386311338 15.999 > 9 16 O 0.64826193444183 0.64826193444183 0.83397386311338 15.999 > 9 17 O 0.35173806555817 0.35173806555817 0.16602613688662 15.999 > 17 18 O 0.85173806555817 0.35173806555817 0.16602613688662 15.999 > 17 19 O 0.35173806555817 0.85173806555817 0.16602613688662 15.999 > 17 20 O 0.85173806555817 0.85173806555817 0.16602613688662 15.999 > 17 21 O 0.35173806555817 0.35173806555817 0.66602613688662 15.999 > 17 22 O 0.85173806555817 0.35173806555817 0.66602613688662 15.999 > 17 23 O 0.35173806555817 0.85173806555817 0.66602613688662 15.999 > 17 24 O 0.85173806555817 0.85173806555817 0.66602613688662 15.999 > 17 25 O 0.10173806555817 0.39826193444183 0.08397386311338 15.999 > 25 26 O 0.60173806555817 0.39826193444183 0.08397386311338 15.999 > 25 27 O 0.10173806555817 0.89826193444183 0.08397386311338 15.999 > 25 28 O 0.60173806555817 0.89826193444183 0.08397386311338 15.999 > 25 29 O 0.10173806555817 0.39826193444183 0.58397386311338 15.999 > 25 30 O 0.60173806555817 0.39826193444183 0.58397386311338 15.999 > 25 31 O 0.10173806555817 0.89826193444183 0.58397386311338 15.999 > 25 32 O 0.60173806555817 0.89826193444183 0.58397386311338 15.999 > 25 33 O 0.39826193444183 0.10173806555817 0.08397386311338 15.999 > 33 34 O 0.89826193444183 0.10173806555817 0.08397386311338 15.999 > 33 35 O 0.39826193444183 0.60173806555817 0.08397386311338 15.999 > 33 36 O 0.89826193444183 0.60173806555817 0.08397386311338 15.999 > 33 37 O 0.39826193444183 0.10173806555817 0.58397386311338 15.999 > 33 38 O 0.89826193444183 0.10173806555817 0.58397386311338 15.999 > 33 39 O 0.39826193444183 0.60173806555817 0.58397386311338 15.999 > 33 40 O 0.89826193444183 0.60173806555817 0.58397386311338 15.999 > 33 41 O 0.39826193444183 0.10173806555817 0.41602613688662 15.999 > 41 42 O 0.89826193444183 0.10173806555817 0.41602613688662 15.999 > 41 43 O 0.39826193444183 0.60173806555817 0.41602613688662 15.999 > 41 44 O 0.89826193444183 0.60173806555817 0.41602613688662 15.999 > 41 45 O 0.39826193444183 0.10173806555817 0.91602613688662 15.999 > 41 46 O 0.89826193444183 0.10173806555817 0.91602613688662 15.999 > 41 47 O 0.39826193444183 0.60173806555817 0.91602613688662 15.999 > 41 48 O 0.89826193444183 0.60173806555817 0.91602613688662 15.999 > 41 49 O 0.15690138716111 0.15690138716111 0.00000000000000 15.999 > 49 50 O 0.65690138716111 0.15690138716111 0.00000000000000 15.999 > 49 51 O 0.15690138716111 0.65690138716111 0.00000000000000 15.999 > 49 52 O 0.65690138716111 0.65690138716111 0.00000000000000 15.999 > 49 53 O 0.15690138716111 0.15690138716111 0.50000000000000 15.999 > 49 54 O 0.65690138716111 0.15690138716111 0.50000000000000 15.999 > 49 55 O 0.15690138716111 0.65690138716111 0.50000000000000 15.999 > 49 56 O 0.65690138716111 0.65690138716111 0.50000000000000 15.999 > 49 57 O 0.09309861283889 0.40690138716111 0.25000000000000 15.999 > 57 58 O 0.59309861283889 0.40690138716111 0.25000000000000 15.999 > 57 59 O 0.09309861283889 0.90690138716111 0.25000000000000 15.999 > 57 60 O 0.59309861283889 0.90690138716111 0.25000000000000 15.999 > 57 61 O 0.09309861283889 0.40690138716111 0.75000000000000 15.999 > 57 62 O 0.59309861283889 0.40690138716111 0.75000000000000 15.999 > 57 63 O 0.09309861283889 0.90690138716111 0.75000000000000 15.999 > 57 64 O 0.59309861283889 0.90690138716111 0.75000000000000 15.999 > 57 65 O 0.40690138716111 0.09309861283889 0.25000000000000 15.999 > 65 66 O 0.90690138716111 0.09309861283889 0.25000000000000 15.999 > 65 67 O 0.40690138716111 0.59309861283889 0.25000000000000 15.999 > 65 68 O 0.90690138716111 0.59309861283889 0.25000000000000 15.999 > 65 69 O 0.40690138716111 0.09309861283889 0.75000000000000 15.999 > 65 70 O 0.90690138716111 0.09309861283889 0.75000000000000 15.999 > 65 71 O 0.40690138716111 0.59309861283889 0.75000000000000 15.999 > 65 72 O 0.90690138716111 0.59309861283889 0.75000000000000 15.999 > 65 73 O 0.34309861283889 0.34309861283889 0.00000000000000 15.999 > 73 74 O 0.84309861283889 0.34309861283889 0.00000000000000 15.999 > 73 75 O 0.34309861283889 0.84309861283889 0.00000000000000 15.999 > 73 76 O 0.84309861283889 0.84309861283889 0.00000000000000 15.999 > 73 77 O 0.34309861283889 0.34309861283889 0.50000000000000 15.999 > 73 78 O 0.84309861283889 0.34309861283889 0.50000000000000 15.999 > 73 79 O 0.34309861283889 0.84309861283889 0.50000000000000 15.999 > 73 80 O 0.84309861283889 0.84309861283889 0.50000000000000 15.999 > 73 81 O 0.14826193444183 0.14826193444183 0.16602613688662 15.999 > 81 82 O 0.64826193444183 0.14826193444183 0.16602613688662 15.999 > 81 83 O 0.14826193444183 0.64826193444183 0.16602613688662 15.999 > 81 84 O 0.64826193444183 0.64826193444183 0.16602613688662 15.999 > 81 85 O 0.14826193444183 0.14826193444183 0.66602613688662 15.999 > 81 86 O 0.64826193444183 0.14826193444183 0.66602613688662 15.999 > 81 87 O 0.14826193444183 0.64826193444183 0.66602613688662 15.999 > 81 88 O 0.64826193444183 0.64826193444183 0.66602613688662 15.999 > 81 89 O 0.10173806555817 0.39826193444183 0.41602613688662 15.999 > 89 90 O 0.60173806555817 0.39826193444183 0.41602613688662 15.999 > 89 91 O 0.10173806555817 0.89826193444183 0.41602613688662 15.999 > 89 92 O 0.60173806555817 0.89826193444183 0.41602613688662 15.999 > 89 93 O 0.10173806555817 0.39826193444183 0.91602613688662 15.999 > 89 94 O 0.60173806555817 0.39826193444183 0.91602613688662 15.999 > 89 95 O 0.10173806555817 0.89826193444183 0.91602613688662 15.999 > 89 96 O 0.60173806555817 0.89826193444183 0.91602613688662 15.999 > 89 97 Rh 0.00000000000000 0.00000000000000 0.16467442598087 102.906 > 97 98 Rh 0.50000000000000 0.00000000000000 0.16467442598087 102.906 > 97 99 Rh 0.00000000000000 0.50000000000000 0.16467442598087 102.906 > 97 100 Rh 0.50000000000000 0.50000000000000 0.16467442598087 102.906 > 97 101 Rh 0.00000000000000 0.00000000000000 0.66467442598087 102.906 > 97 102 Rh 0.50000000000000 0.00000000000000 0.66467442598087 102.906 > 97 103 Rh 0.00000000000000 0.50000000000000 0.66467442598087 102.906 > 97 104 Rh 0.50000000000000 0.50000000000000 0.66467442598087 102.906 > 97 105 Rh 0.25000000000000 0.25000000000000 0.41467442598087 102.906 > 105 106 Rh 0.75000000000000 0.25000000000000 0.41467442598087 102.906 > 105 107 Rh 0.25000000000000 0.75000000000000 0.41467442598087 102.906 > 105 108 Rh 0.75000000000000 0.75000000000000 0.41467442598087 102.906 > 105 109 Rh 0.25000000000000 0.25000000000000 0.91467442598087 102.906 > 105 110 Rh 0.75000000000000 0.25000000000000 0.91467442598087 102.906 > 105 111 Rh 0.25000000000000 0.75000000000000 0.91467442598087 102.906 > 105 112 Rh 0.75000000000000 0.75000000000000 0.91467442598087 102.906 > 105 113 Rh 0.00000000000000 0.00000000000000 0.33532557401913 102.906 > 113 114 Rh 0.50000000000000 0.00000000000000 0.33532557401913 102.906 > 113 115 Rh 0.00000000000000 0.50000000000000 0.33532557401913 102.906 > 113 116 Rh 0.50000000000000 0.50000000000000 0.33532557401913 102.906 > 113 117 Rh 0.00000000000000 0.00000000000000 0.83532557401913 102.906 > 113 118 Rh 0.50000000000000 0.00000000000000 0.83532557401913 102.906 > 113 119 Rh 0.00000000000000 0.50000000000000 0.83532557401913 102.906 > 113 120 Rh 0.50000000000000 0.50000000000000 0.83532557401913 102.906 > 113 121 Rh 0.25000000000000 0.25000000000000 0.08532557401913 102.906 > 121 122 Rh 0.75000000000000 0.25000000000000 0.08532557401913 102.906 > 121 123 Rh 0.25000000000000 0.75000000000000 0.08532557401913 102.906 > 121 124 Rh 0.75000000000000 0.75000000000000 0.08532557401913 102.906 > 121 125 Rh 0.25000000000000 0.25000000000000 0.58532557401913 102.906 > 121 126 Rh 0.75000000000000 0.25000000000000 0.58532557401913 102.906 > 121 127 Rh 0.25000000000000 0.75000000000000 0.58532557401913 102.906 > 121 128 Rh 0.75000000000000 0.75000000000000 0.58532557401913 102.906 > 121 129 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 129 130 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 129 131 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 129 132 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 129 133 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 129 134 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 129 135 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 129 136 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 129 137 U 0.25000000000000 0.25000000000000 0.25000000000000 238.029 > 137 138 U 0.75000000000000 0.25000000000000 0.25000000000000 238.029 > 137 139 U 0.25000000000000 0.75000000000000 0.25000000000000 238.029 > 137 140 U 0.75000000000000 0.75000000000000 0.25000000000000 238.029 > 137 141 U 0.25000000000000 0.25000000000000 0.75000000000000 238.029 > 137 142 U 0.75000000000000 0.25000000000000 0.75000000000000 238.029 > 137 143 U 0.25000000000000 0.75000000000000 0.75000000000000 238.029 > 137 144 U 0.75000000000000 0.75000000000000 0.75000000000000 238.029 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.4021675 0.0000000 0.0000000 0.0000000 13.4021675 0.0000000 0.0000000 0.0000000 12.6049845 -------------------------- Born effective charges -------------------------- 1 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 2 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 3 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 4 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 5 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 6 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 7 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 8 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 9 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 10 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 11 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 12 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 13 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 14 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 15 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 16 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 17 U 7.3352183 1.1959352 0.0000000 1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 18 U 7.3352183 -1.1959352 0.0000000 -1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000019 (zyy) 0.00000019 (zyy) 0.00000019 (zyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:20:00]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751910660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.751910660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.269358170000000 Atomic positions (fractional): 1 O 0.70347613111635 0.70347613111635 0.66794772622677 15.999 2 O 0.29652386888365 0.29652386888365 0.66794772622677 15.999 3 O 0.70347613111635 0.70347613111635 0.33205227377323 15.999 4 O 0.20347613111635 0.79652386888365 0.16794772622677 15.999 5 O 0.79652386888365 0.20347613111635 0.16794772622677 15.999 6 O 0.79652386888365 0.20347613111635 0.83205227377323 15.999 7 O 0.31380277432222 0.31380277432222 0.00000000000000 15.999 8 O 0.18619722567778 0.81380277432222 0.50000000000000 15.999 9 O 0.81380277432222 0.18619722567778 0.50000000000000 15.999 10 O 0.68619722567778 0.68619722567778 0.00000000000000 15.999 11 O 0.29652386888365 0.29652386888365 0.33205227377323 15.999 12 O 0.20347613111635 0.79652386888365 0.83205227377323 15.999 13 Rh 0.00000000000000 0.00000000000000 0.32934885196174 102.906 14 Rh 0.50000000000000 0.50000000000000 0.82934885196174 102.906 15 Rh 0.00000000000000 0.00000000000000 0.67065114803826 102.906 16 Rh 0.50000000000000 0.50000000000000 0.17065114803827 102.906 17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 18 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.503821320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.503821320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.538716340000001 Atomic positions (fractional): 1 O 0.35173806555817 0.35173806555817 0.33397386311338 15.999 > 1 2 O 0.85173806555817 0.35173806555817 0.33397386311338 15.999 > 1 3 O 0.35173806555817 0.85173806555817 0.33397386311338 15.999 > 1 4 O 0.85173806555817 0.85173806555817 0.33397386311338 15.999 > 1 5 O 0.35173806555817 0.35173806555817 0.83397386311338 15.999 > 1 6 O 0.85173806555817 0.35173806555817 0.83397386311338 15.999 > 1 7 O 0.35173806555817 0.85173806555817 0.83397386311338 15.999 > 1 8 O 0.85173806555817 0.85173806555817 0.83397386311338 15.999 > 1 9 O 0.14826193444183 0.14826193444183 0.33397386311338 15.999 > 9 10 O 0.64826193444183 0.14826193444183 0.33397386311338 15.999 > 9 11 O 0.14826193444183 0.64826193444183 0.33397386311338 15.999 > 9 12 O 0.64826193444183 0.64826193444183 0.33397386311338 15.999 > 9 13 O 0.14826193444183 0.14826193444183 0.83397386311338 15.999 > 9 14 O 0.64826193444183 0.14826193444183 0.83397386311338 15.999 > 9 15 O 0.14826193444183 0.64826193444183 0.83397386311338 15.999 > 9 16 O 0.64826193444183 0.64826193444183 0.83397386311338 15.999 > 9 17 O 0.35173806555817 0.35173806555817 0.16602613688662 15.999 > 17 18 O 0.85173806555817 0.35173806555817 0.16602613688662 15.999 > 17 19 O 0.35173806555817 0.85173806555817 0.16602613688662 15.999 > 17 20 O 0.85173806555817 0.85173806555817 0.16602613688662 15.999 > 17 21 O 0.35173806555817 0.35173806555817 0.66602613688662 15.999 > 17 22 O 0.85173806555817 0.35173806555817 0.66602613688662 15.999 > 17 23 O 0.35173806555817 0.85173806555817 0.66602613688662 15.999 > 17 24 O 0.85173806555817 0.85173806555817 0.66602613688662 15.999 > 17 25 O 0.10173806555817 0.39826193444183 0.08397386311338 15.999 > 25 26 O 0.60173806555817 0.39826193444183 0.08397386311338 15.999 > 25 27 O 0.10173806555817 0.89826193444183 0.08397386311338 15.999 > 25 28 O 0.60173806555817 0.89826193444183 0.08397386311338 15.999 > 25 29 O 0.10173806555817 0.39826193444183 0.58397386311338 15.999 > 25 30 O 0.60173806555817 0.39826193444183 0.58397386311338 15.999 > 25 31 O 0.10173806555817 0.89826193444183 0.58397386311338 15.999 > 25 32 O 0.60173806555817 0.89826193444183 0.58397386311338 15.999 > 25 33 O 0.39826193444183 0.10173806555817 0.08397386311338 15.999 > 33 34 O 0.89826193444183 0.10173806555817 0.08397386311338 15.999 > 33 35 O 0.39826193444183 0.60173806555817 0.08397386311338 15.999 > 33 36 O 0.89826193444183 0.60173806555817 0.08397386311338 15.999 > 33 37 O 0.39826193444183 0.10173806555817 0.58397386311338 15.999 > 33 38 O 0.89826193444183 0.10173806555817 0.58397386311338 15.999 > 33 39 O 0.39826193444183 0.60173806555817 0.58397386311338 15.999 > 33 40 O 0.89826193444183 0.60173806555817 0.58397386311338 15.999 > 33 41 O 0.39826193444183 0.10173806555817 0.41602613688662 15.999 > 41 42 O 0.89826193444183 0.10173806555817 0.41602613688662 15.999 > 41 43 O 0.39826193444183 0.60173806555817 0.41602613688662 15.999 > 41 44 O 0.89826193444183 0.60173806555817 0.41602613688662 15.999 > 41 45 O 0.39826193444183 0.10173806555817 0.91602613688662 15.999 > 41 46 O 0.89826193444183 0.10173806555817 0.91602613688662 15.999 > 41 47 O 0.39826193444183 0.60173806555817 0.91602613688662 15.999 > 41 48 O 0.89826193444183 0.60173806555817 0.91602613688662 15.999 > 41 49 O 0.15690138716111 0.15690138716111 0.00000000000000 15.999 > 49 50 O 0.65690138716111 0.15690138716111 0.00000000000000 15.999 > 49 51 O 0.15690138716111 0.65690138716111 0.00000000000000 15.999 > 49 52 O 0.65690138716111 0.65690138716111 0.00000000000000 15.999 > 49 53 O 0.15690138716111 0.15690138716111 0.50000000000000 15.999 > 49 54 O 0.65690138716111 0.15690138716111 0.50000000000000 15.999 > 49 55 O 0.15690138716111 0.65690138716111 0.50000000000000 15.999 > 49 56 O 0.65690138716111 0.65690138716111 0.50000000000000 15.999 > 49 57 O 0.09309861283889 0.40690138716111 0.25000000000000 15.999 > 57 58 O 0.59309861283889 0.40690138716111 0.25000000000000 15.999 > 57 59 O 0.09309861283889 0.90690138716111 0.25000000000000 15.999 > 57 60 O 0.59309861283889 0.90690138716111 0.25000000000000 15.999 > 57 61 O 0.09309861283889 0.40690138716111 0.75000000000000 15.999 > 57 62 O 0.59309861283889 0.40690138716111 0.75000000000000 15.999 > 57 63 O 0.09309861283889 0.90690138716111 0.75000000000000 15.999 > 57 64 O 0.59309861283889 0.90690138716111 0.75000000000000 15.999 > 57 65 O 0.40690138716111 0.09309861283889 0.25000000000000 15.999 > 65 66 O 0.90690138716111 0.09309861283889 0.25000000000000 15.999 > 65 67 O 0.40690138716111 0.59309861283889 0.25000000000000 15.999 > 65 68 O 0.90690138716111 0.59309861283889 0.25000000000000 15.999 > 65 69 O 0.40690138716111 0.09309861283889 0.75000000000000 15.999 > 65 70 O 0.90690138716111 0.09309861283889 0.75000000000000 15.999 > 65 71 O 0.40690138716111 0.59309861283889 0.75000000000000 15.999 > 65 72 O 0.90690138716111 0.59309861283889 0.75000000000000 15.999 > 65 73 O 0.34309861283889 0.34309861283889 0.00000000000000 15.999 > 73 74 O 0.84309861283889 0.34309861283889 0.00000000000000 15.999 > 73 75 O 0.34309861283889 0.84309861283889 0.00000000000000 15.999 > 73 76 O 0.84309861283889 0.84309861283889 0.00000000000000 15.999 > 73 77 O 0.34309861283889 0.34309861283889 0.50000000000000 15.999 > 73 78 O 0.84309861283889 0.34309861283889 0.50000000000000 15.999 > 73 79 O 0.34309861283889 0.84309861283889 0.50000000000000 15.999 > 73 80 O 0.84309861283889 0.84309861283889 0.50000000000000 15.999 > 73 81 O 0.14826193444183 0.14826193444183 0.16602613688662 15.999 > 81 82 O 0.64826193444183 0.14826193444183 0.16602613688662 15.999 > 81 83 O 0.14826193444183 0.64826193444183 0.16602613688662 15.999 > 81 84 O 0.64826193444183 0.64826193444183 0.16602613688662 15.999 > 81 85 O 0.14826193444183 0.14826193444183 0.66602613688662 15.999 > 81 86 O 0.64826193444183 0.14826193444183 0.66602613688662 15.999 > 81 87 O 0.14826193444183 0.64826193444183 0.66602613688662 15.999 > 81 88 O 0.64826193444183 0.64826193444183 0.66602613688662 15.999 > 81 89 O 0.10173806555817 0.39826193444183 0.41602613688662 15.999 > 89 90 O 0.60173806555817 0.39826193444183 0.41602613688662 15.999 > 89 91 O 0.10173806555817 0.89826193444183 0.41602613688662 15.999 > 89 92 O 0.60173806555817 0.89826193444183 0.41602613688662 15.999 > 89 93 O 0.10173806555817 0.39826193444183 0.91602613688662 15.999 > 89 94 O 0.60173806555817 0.39826193444183 0.91602613688662 15.999 > 89 95 O 0.10173806555817 0.89826193444183 0.91602613688662 15.999 > 89 96 O 0.60173806555817 0.89826193444183 0.91602613688662 15.999 > 89 97 Rh 0.00000000000000 0.00000000000000 0.16467442598087 102.906 > 97 98 Rh 0.50000000000000 0.00000000000000 0.16467442598087 102.906 > 97 99 Rh 0.00000000000000 0.50000000000000 0.16467442598087 102.906 > 97 100 Rh 0.50000000000000 0.50000000000000 0.16467442598087 102.906 > 97 101 Rh 0.00000000000000 0.00000000000000 0.66467442598087 102.906 > 97 102 Rh 0.50000000000000 0.00000000000000 0.66467442598087 102.906 > 97 103 Rh 0.00000000000000 0.50000000000000 0.66467442598087 102.906 > 97 104 Rh 0.50000000000000 0.50000000000000 0.66467442598087 102.906 > 97 105 Rh 0.25000000000000 0.25000000000000 0.41467442598087 102.906 > 105 106 Rh 0.75000000000000 0.25000000000000 0.41467442598087 102.906 > 105 107 Rh 0.25000000000000 0.75000000000000 0.41467442598087 102.906 > 105 108 Rh 0.75000000000000 0.75000000000000 0.41467442598087 102.906 > 105 109 Rh 0.25000000000000 0.25000000000000 0.91467442598087 102.906 > 105 110 Rh 0.75000000000000 0.25000000000000 0.91467442598087 102.906 > 105 111 Rh 0.25000000000000 0.75000000000000 0.91467442598087 102.906 > 105 112 Rh 0.75000000000000 0.75000000000000 0.91467442598087 102.906 > 105 113 Rh 0.00000000000000 0.00000000000000 0.33532557401913 102.906 > 113 114 Rh 0.50000000000000 0.00000000000000 0.33532557401913 102.906 > 113 115 Rh 0.00000000000000 0.50000000000000 0.33532557401913 102.906 > 113 116 Rh 0.50000000000000 0.50000000000000 0.33532557401913 102.906 > 113 117 Rh 0.00000000000000 0.00000000000000 0.83532557401913 102.906 > 113 118 Rh 0.50000000000000 0.00000000000000 0.83532557401913 102.906 > 113 119 Rh 0.00000000000000 0.50000000000000 0.83532557401913 102.906 > 113 120 Rh 0.50000000000000 0.50000000000000 0.83532557401913 102.906 > 113 121 Rh 0.25000000000000 0.25000000000000 0.08532557401913 102.906 > 121 122 Rh 0.75000000000000 0.25000000000000 0.08532557401913 102.906 > 121 123 Rh 0.25000000000000 0.75000000000000 0.08532557401913 102.906 > 121 124 Rh 0.75000000000000 0.75000000000000 0.08532557401913 102.906 > 121 125 Rh 0.25000000000000 0.25000000000000 0.58532557401913 102.906 > 121 126 Rh 0.75000000000000 0.25000000000000 0.58532557401913 102.906 > 121 127 Rh 0.25000000000000 0.75000000000000 0.58532557401913 102.906 > 121 128 Rh 0.75000000000000 0.75000000000000 0.58532557401913 102.906 > 121 129 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 129 130 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 129 131 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 129 132 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 129 133 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 129 134 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 129 135 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 129 136 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 129 137 U 0.25000000000000 0.25000000000000 0.25000000000000 238.029 > 137 138 U 0.75000000000000 0.25000000000000 0.25000000000000 238.029 > 137 139 U 0.25000000000000 0.75000000000000 0.25000000000000 238.029 > 137 140 U 0.75000000000000 0.75000000000000 0.25000000000000 238.029 > 137 141 U 0.25000000000000 0.25000000000000 0.75000000000000 238.029 > 137 142 U 0.75000000000000 0.25000000000000 0.75000000000000 238.029 > 137 143 U 0.25000000000000 0.75000000000000 0.75000000000000 238.029 > 137 144 U 0.75000000000000 0.75000000000000 0.75000000000000 238.029 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.4021675 0.0000000 0.0000000 0.0000000 13.4021675 0.0000000 0.0000000 0.0000000 12.6049845 -------------------------- Born effective charges -------------------------- 1 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 2 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 3 O -1.5384435 -0.9679775 0.0392225 -0.9679775 -1.5384435 0.0392225 0.1721183 0.1721183 -1.2178302 4 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 5 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 6 O -1.5384435 0.9679775 -0.0392225 0.9679775 -1.5384435 0.0392225 -0.1721183 0.1721183 -1.2178302 7 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 8 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 9 O -1.8365070 1.6113475 0.0000000 1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 10 O -1.8365070 -1.6113475 0.0000000 -1.6113475 -1.8365070 0.0000000 0.0000000 0.0000000 -1.9276090 11 O -1.5384435 -0.9679775 -0.0392225 -0.9679775 -1.5384435 -0.0392225 -0.1721183 -0.1721183 -1.2178302 12 O -1.5384435 0.9679775 0.0392225 0.9679775 -1.5384435 -0.0392225 0.1721183 -0.1721183 -1.2178302 13 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 14 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 15 Rh 1.2457848 0.4773392 0.0000000 0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 16 Rh 1.2457848 -0.4773392 0.0000000 -0.4773392 1.2457848 0.0000000 0.0000000 0.0000000 0.4076775 17 U 7.3352183 1.1959352 0.0000000 1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 18 U 7.3352183 -1.1959352 0.0000000 -1.1959352 7.3352183 0.0000000 0.0000000 0.0000000 7.9111836 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (zyy) 0.00000019 (zyy) 0.00000019 (zyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 5 ] 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: 0.70, Number of G-points: 297, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 15.045 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 16.763 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 17.596 ( 0.000 0.000 0.000) 0.000 17.650 ( 0.000 0.000 0.000) 0.000 17.650 ( 0.000 0.000 0.000) 0.000 18.578 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 20.963 ( 0.000 0.000 0.000) 0.000 21.433 ( 0.000 0.000 0.000) 0.000 21.471 ( 0.000 0.000 0.000) 0.000 21.877 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 26.972 0.000 0.000) 26.972 0.896 ( 46.162 0.000 0.000) 46.162 1.029 ( 53.152 0.000 0.000) 53.152 2.475 ( 23.122 0.000 0.000) 23.122 2.698 ( 7.182 0.000 0.000) 7.182 2.729 ( 8.337 0.000 0.000) 8.337 3.875 ( -2.797 0.000 0.000) 2.797 3.979 ( 7.457 0.000 0.000) 7.457 4.590 ( -4.153 0.000 0.000) 4.153 4.951 ( -1.941 0.000 0.000) 1.941 5.211 ( -5.122 0.000 0.000) 5.122 5.681 ( 1.104 0.000 0.000) 1.104 6.113 ( 4.151 0.000 0.000) 4.151 6.315 ( -10.906 0.000 0.000) 10.906 6.567 ( -0.649 0.000 0.000) 0.649 6.769 ( -3.551 0.000 0.000) 3.551 7.017 ( 0.796 0.000 0.000) 0.796 7.552 ( -2.230 0.000 0.000) 2.230 7.579 ( 0.082 0.000 0.000) 0.082 7.764 ( 0.018 0.000 0.000) 0.018 8.016 ( -2.693 0.000 0.000) 2.693 8.045 ( 0.844 0.000 0.000) 0.844 8.356 ( 2.536 0.000 0.000) 2.536 8.384 ( 3.837 0.000 0.000) 3.837 8.585 ( 0.717 0.000 0.000) 0.717 8.613 ( 2.337 0.000 0.000) 2.337 9.153 ( -15.468 0.000 0.000) 15.468 9.429 ( -2.615 0.000 0.000) 2.615 9.729 ( 11.844 0.000 0.000) 11.844 9.779 ( 1.647 0.000 0.000) 1.647 13.238 ( 6.417 0.000 0.000) 6.417 13.246 ( 7.213 0.000 0.000) 7.213 14.230 ( 6.783 0.000 0.000) 6.783 14.323 ( -4.409 0.000 0.000) 4.409 14.758 ( -3.784 0.000 0.000) 3.784 14.793 ( -1.242 0.000 0.000) 1.242 15.093 ( 3.948 0.000 0.000) 3.948 15.260 ( 0.981 0.000 0.000) 0.981 15.700 ( 5.912 0.000 0.000) 5.912 16.722 ( -4.271 0.000 0.000) 4.271 17.206 ( -7.354 0.000 0.000) 7.354 17.241 ( -2.742 0.000 0.000) 2.742 17.300 ( -6.975 0.000 0.000) 6.975 17.659 ( 7.246 0.000 0.000) 7.246 17.714 ( 6.569 0.000 0.000) 6.569 17.725 ( 7.658 0.000 0.000) 7.658 18.613 ( 3.469 0.000 0.000) 3.469 18.873 ( -6.523 0.000 0.000) 6.523 19.476 ( 1.172 0.000 0.000) 1.172 20.601 ( 3.239 0.000 0.000) 3.239 20.899 ( -6.694 0.000 0.000) 6.694 21.401 ( -7.324 0.000 0.000) 7.324 21.437 ( 0.322 0.000 0.000) 0.322 21.824 ( -5.501 0.000 0.000) 5.501 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 26.890 0.000 0.000) 26.890 1.751 ( 42.703 0.000 0.000) 42.703 2.019 ( 49.891 0.000 0.000) 49.891 2.885 ( 11.901 0.000 0.000) 11.901 2.947 ( 14.096 0.000 0.000) 14.096 3.039 ( 33.348 0.000 0.000) 33.348 3.809 ( -4.120 0.000 0.000) 4.120 4.170 ( 11.819 0.000 0.000) 11.819 4.459 ( -9.244 0.000 0.000) 9.244 4.898 ( -3.519 0.000 0.000) 3.519 5.077 ( -8.273 0.000 0.000) 8.273 5.696 ( 0.234 0.000 0.000) 0.234 6.042 ( -16.565 0.000 0.000) 16.565 6.251 ( 10.346 0.000 0.000) 10.346 6.545 ( -1.793 0.000 0.000) 1.793 6.675 ( -6.101 0.000 0.000) 6.101 7.003 ( -3.435 0.000 0.000) 3.435 7.507 ( -2.301 0.000 0.000) 2.301 7.579 ( -0.008 0.000 0.000) 0.008 7.765 ( 0.416 0.000 0.000) 0.416 7.942 ( -4.940 0.000 0.000) 4.940 8.095 ( 4.743 0.000 0.000) 4.743 8.318 ( -6.482 0.000 0.000) 6.482 8.473 ( 4.960 0.000 0.000) 4.960 8.671 ( 7.474 0.000 0.000) 7.474 8.677 ( 4.213 0.000 0.000) 4.213 8.854 ( -15.377 0.000 0.000) 15.377 9.354 ( -5.202 0.000 0.000) 5.202 9.827 ( 3.269 0.000 0.000) 3.269 9.930 ( 8.902 0.000 0.000) 8.902 13.407 ( 10.758 0.000 0.000) 10.758 13.437 ( 12.193 0.000 0.000) 12.193 14.251 ( -2.009 0.000 0.000) 2.009 14.406 ( 11.022 0.000 0.000) 11.022 14.700 ( -1.674 0.000 0.000) 1.674 14.765 ( -1.616 0.000 0.000) 1.616 15.167 ( 3.498 0.000 0.000) 3.498 15.286 ( 1.628 0.000 0.000) 1.628 15.822 ( 5.842 0.000 0.000) 5.842 16.604 ( -7.857 0.000 0.000) 7.857 16.978 ( -16.046 0.000 0.000) 16.046 17.109 ( -12.807 0.000 0.000) 12.807 17.180 ( -3.120 0.000 0.000) 3.120 17.851 ( 10.710 0.000 0.000) 10.710 17.895 ( 12.192 0.000 0.000) 12.192 17.938 ( 14.433 0.000 0.000) 14.433 18.701 ( 5.519 0.000 0.000) 5.519 18.751 ( -4.055 0.000 0.000) 4.055 19.485 ( -0.477 0.000 0.000) 0.477 20.690 ( 5.836 0.000 0.000) 5.836 20.712 ( -12.648 0.000 0.000) 12.648 21.195 ( -14.051 0.000 0.000) 14.051 21.442 ( 0.065 0.000 0.000) 0.065 21.667 ( -10.931 0.000 0.000) 10.931 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 26.682 0.000 0.000) 26.682 2.502 ( 34.693 0.000 0.000) 34.693 2.903 ( 40.262 0.000 0.000) 40.262 3.149 ( 15.949 0.000 0.000) 15.949 3.252 ( 18.599 0.000 0.000) 18.599 3.670 ( 30.076 0.000 0.000) 30.076 3.695 ( -8.976 0.000 0.000) 8.976 4.278 ( -7.908 0.000 0.000) 7.908 4.394 ( 10.443 0.000 0.000) 10.443 4.819 ( -4.675 0.000 0.000) 4.675 4.936 ( -4.503 0.000 0.000) 4.503 5.690 ( -0.759 0.000 0.000) 0.759 5.727 ( -15.002 0.000 0.000) 15.002 6.489 ( -4.389 0.000 0.000) 4.389 6.491 ( 14.015 0.000 0.000) 14.015 6.538 ( -8.143 0.000 0.000) 8.143 6.852 ( -12.546 0.000 0.000) 12.546 7.461 ( -2.767 0.000 0.000) 2.767 7.580 ( 0.199 0.000 0.000) 0.199 7.794 ( 2.433 0.000 0.000) 2.433 7.838 ( -5.523 0.000 0.000) 5.523 8.146 ( -10.739 0.000 0.000) 10.739 8.220 ( 7.538 0.000 0.000) 7.538 8.553 ( 2.932 0.000 0.000) 2.932 8.592 ( -10.781 0.000 0.000) 10.781 8.768 ( 5.147 0.000 0.000) 5.147 8.818 ( 7.092 0.000 0.000) 7.092 9.233 ( -7.340 0.000 0.000) 7.340 9.901 ( 4.371 0.000 0.000) 4.371 10.065 ( 5.164 0.000 0.000) 5.164 13.628 ( 11.789 0.000 0.000) 11.789 13.687 ( 13.269 0.000 0.000) 13.269 14.276 ( 5.025 0.000 0.000) 5.025 14.629 ( 11.750 0.000 0.000) 11.750 14.703 ( 1.873 0.000 0.000) 1.873 14.737 ( -1.190 0.000 0.000) 1.190 15.228 ( 3.145 0.000 0.000) 3.145 15.324 ( 2.524 0.000 0.000) 2.524 15.897 ( 1.694 0.000 0.000) 1.694 16.429 ( -10.121 0.000 0.000) 10.121 16.616 ( -21.089 0.000 0.000) 21.089 16.822 ( -16.794 0.000 0.000) 16.794 17.143 ( -0.226 0.000 0.000) 0.226 17.945 ( -3.086 0.000 0.000) 3.086 18.172 ( 16.534 0.000 0.000) 16.534 18.267 ( 19.626 0.000 0.000) 19.626 18.815 ( 6.205 0.000 0.000) 6.205 18.828 ( 13.465 0.000 0.000) 13.465 19.462 ( -1.391 0.000 0.000) 1.391 20.425 ( -16.940 0.000 0.000) 16.940 20.811 ( 6.125 0.000 0.000) 6.125 20.871 ( -19.525 0.000 0.000) 19.525 21.412 ( -15.199 0.000 0.000) 15.199 21.433 ( -1.060 0.000 0.000) 1.060 ======================= Grid point 4 (5/63) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 26.296 0.000 0.000) 26.296 3.033 ( 20.644 0.000 0.000) 20.644 3.384 ( 11.953 0.000 0.000) 11.953 3.430 ( -18.480 0.000 0.000) 18.480 3.507 ( 20.778 0.000 0.000) 20.778 3.757 ( 28.810 0.000 0.000) 28.810 4.076 ( 11.582 0.000 0.000) 11.582 4.211 ( 1.029 0.000 0.000) 1.029 4.516 ( 1.130 0.000 0.000) 1.130 4.720 ( -5.586 0.000 0.000) 5.586 5.026 ( 16.280 0.000 0.000) 16.280 5.522 ( -5.208 0.000 0.000) 5.208 5.665 ( -2.037 0.000 0.000) 2.037 6.355 ( -11.073 0.000 0.000) 11.073 6.374 ( -8.392 0.000 0.000) 8.392 6.549 ( -17.082 0.000 0.000) 17.082 6.766 ( 14.412 0.000 0.000) 14.412 7.390 ( -5.053 0.000 0.000) 5.053 7.593 ( 1.361 0.000 0.000) 1.361 7.748 ( -3.400 0.000 0.000) 3.400 7.821 ( -0.836 0.000 0.000) 0.836 7.931 ( -11.092 0.000 0.000) 11.092 8.322 ( 2.380 0.000 0.000) 2.380 8.530 ( 5.720 0.000 0.000) 5.720 8.571 ( -1.247 0.000 0.000) 1.247 8.865 ( 4.743 0.000 0.000) 4.743 8.926 ( 3.955 0.000 0.000) 3.955 9.078 ( -8.765 0.000 0.000) 8.765 9.988 ( 4.597 0.000 0.000) 4.597 10.128 ( 1.434 0.000 0.000) 1.434 13.838 ( 9.765 0.000 0.000) 9.765 13.913 ( 9.523 0.000 0.000) 9.523 14.444 ( 12.112 0.000 0.000) 12.112 14.722 ( -0.207 0.000 0.000) 0.207 14.750 ( 2.102 0.000 0.000) 2.102 14.828 ( 8.068 0.000 0.000) 8.068 15.307 ( 5.629 0.000 0.000) 5.629 15.387 ( 4.034 0.000 0.000) 4.034 15.886 ( -2.536 0.000 0.000) 2.536 16.207 ( -20.470 0.000 0.000) 20.470 16.232 ( -9.861 0.000 0.000) 9.861 16.486 ( -17.674 0.000 0.000) 17.674 17.185 ( 4.796 0.000 0.000) 4.796 17.779 ( -12.009 0.000 0.000) 12.009 18.516 ( 18.906 0.000 0.000) 18.906 18.665 ( 20.888 0.000 0.000) 20.888 18.935 ( 6.228 0.000 0.000) 6.228 19.130 ( 10.435 0.000 0.000) 10.435 19.514 ( 12.074 0.000 0.000) 12.074 20.087 ( -17.393 0.000 0.000) 17.393 20.462 ( -22.668 0.000 0.000) 22.668 20.834 ( -9.285 0.000 0.000) 9.285 21.168 ( -4.991 0.000 0.000) 4.991 21.396 ( -2.894 0.000 0.000) 2.894 ======================= Grid point 5 (6/63) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 25.511 0.000 0.000) 25.511 3.020 ( -23.576 0.000 0.000) 23.576 3.334 ( 11.762 0.000 0.000) 11.762 3.476 ( -2.061 0.000 0.000) 2.061 3.855 ( 13.351 0.000 0.000) 13.351 3.996 ( -1.620 0.000 0.000) 1.620 4.294 ( 6.928 0.000 0.000) 6.928 4.361 ( 17.390 0.000 0.000) 17.390 4.443 ( -7.382 0.000 0.000) 7.382 4.597 ( -8.075 0.000 0.000) 8.075 5.479 ( 27.440 0.000 0.000) 27.440 5.522 ( 3.693 0.000 0.000) 3.693 5.606 ( -4.142 0.000 0.000) 4.142 5.994 ( -25.034 0.000 0.000) 25.034 6.259 ( -2.248 0.000 0.000) 2.248 6.313 ( -7.507 0.000 0.000) 7.507 7.032 ( 13.069 0.000 0.000) 13.069 7.252 ( -9.534 0.000 0.000) 9.534 7.640 ( 3.750 0.000 0.000) 3.750 7.720 ( 0.597 0.000 0.000) 0.597 7.747 ( -7.670 0.000 0.000) 7.670 7.766 ( -3.674 0.000 0.000) 3.674 8.395 ( 5.649 0.000 0.000) 5.649 8.507 ( -5.215 0.000 0.000) 5.215 8.705 ( 10.414 0.000 0.000) 10.414 8.900 ( -9.797 0.000 0.000) 9.797 8.940 ( 2.848 0.000 0.000) 2.848 8.966 ( 0.285 0.000 0.000) 0.285 10.070 ( 3.746 0.000 0.000) 3.746 10.124 ( -1.685 0.000 0.000) 1.685 13.987 ( 5.374 0.000 0.000) 5.374 14.025 ( 1.836 0.000 0.000) 1.836 14.705 ( 13.711 0.000 0.000) 13.711 14.733 ( 1.343 0.000 0.000) 1.343 14.761 ( -0.928 0.000 0.000) 0.928 14.887 ( -3.302 0.000 0.000) 3.302 15.431 ( 5.816 0.000 0.000) 5.816 15.462 ( 2.599 0.000 0.000) 2.599 15.833 ( -1.598 0.000 0.000) 1.598 15.897 ( -10.043 0.000 0.000) 10.043 16.094 ( -2.807 0.000 0.000) 2.807 16.186 ( -12.039 0.000 0.000) 12.039 17.324 ( 9.535 0.000 0.000) 9.535 17.538 ( -12.444 0.000 0.000) 12.444 18.862 ( 15.562 0.000 0.000) 15.562 18.976 ( 7.291 0.000 0.000) 7.291 19.051 ( 5.863 0.000 0.000) 5.863 19.150 ( -3.995 0.000 0.000) 3.995 19.848 ( -3.296 0.000 0.000) 3.296 19.942 ( 27.397 0.000 0.000) 27.397 20.040 ( -19.651 0.000 0.000) 19.651 20.459 ( -25.374 0.000 0.000) 25.374 21.216 ( 5.679 0.000 0.000) 5.679 21.322 ( -4.885 0.000 0.000) 4.885 ======================= Grid point 12 (7/63) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 15.045 15.045 0.000) 21.276 0.734 ( 19.381 19.381 0.000) 27.409 1.829 ( 44.637 44.637 0.000) 63.127 2.655 ( 10.235 10.235 0.000) 14.475 2.699 ( 12.291 12.291 0.000) 17.382 2.880 ( 11.097 11.097 0.000) 15.694 3.922 ( 0.064 0.064 0.000) 0.091 3.954 ( 2.515 2.515 0.000) 3.557 4.565 ( -3.041 -3.041 0.000) 4.300 4.943 ( -1.290 -1.290 0.000) 1.824 5.160 ( -4.974 -4.974 0.000) 7.034 5.699 ( 1.619 1.619 0.000) 2.289 6.129 ( 1.055 1.055 0.000) 1.492 6.246 ( -6.086 -6.086 0.000) 8.606 6.578 ( 0.494 0.494 0.000) 0.699 6.716 ( -4.557 -4.557 0.000) 6.444 7.035 ( 1.404 1.404 0.000) 1.985 7.415 ( -7.109 -7.109 0.000) 10.054 7.680 ( 3.838 3.838 0.000) 5.428 7.750 ( -1.610 -1.610 0.000) 2.277 8.009 ( -1.730 -1.730 0.000) 2.446 8.039 ( 0.830 0.830 0.000) 1.174 8.355 ( -1.489 -1.489 0.000) 2.106 8.413 ( 2.839 2.839 0.000) 4.015 8.600 ( 2.953 2.953 0.000) 4.177 8.647 ( 2.991 2.991 0.000) 4.230 8.987 ( -13.323 -13.323 0.000) 18.841 9.491 ( 2.213 2.213 0.000) 3.129 9.693 ( -0.614 -0.614 0.000) 0.868 9.875 ( 7.264 7.264 0.000) 10.273 13.195 ( 1.032 1.032 0.000) 1.459 13.406 ( 10.840 10.840 0.000) 15.330 14.167 ( 0.236 0.236 0.000) 0.334 14.427 ( 3.876 3.876 0.000) 5.481 14.725 ( -1.995 -1.995 0.000) 2.822 14.806 ( -0.000 -0.000 0.000) 0.000 15.103 ( 1.205 1.205 0.000) 1.704 15.278 ( 1.612 1.612 0.000) 2.280 15.744 ( 3.935 3.935 0.000) 5.566 16.672 ( -5.125 -5.125 0.000) 7.248 17.114 ( -7.332 -7.332 0.000) 10.369 17.250 ( -5.235 -5.235 0.000) 7.403 17.269 ( 0.022 0.022 0.000) 0.031 17.667 ( 0.804 0.804 0.000) 1.137 17.696 ( 4.419 4.419 0.000) 6.250 17.902 ( 12.624 12.624 0.000) 17.853 18.626 ( 0.521 0.521 0.000) 0.737 18.893 ( -0.082 -0.082 0.000) 0.116 19.481 ( 1.063 1.063 0.000) 1.503 20.485 ( -3.158 -3.158 0.000) 4.466 20.810 ( -9.048 -9.048 0.000) 12.796 21.360 ( -4.388 -4.388 0.000) 6.205 21.523 ( 2.792 2.792 0.000) 3.948 21.782 ( -4.287 -4.287 0.000) 6.063 ======================= Grid point 13 (8/63) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 24.170 12.822 0.000) 27.361 1.223 ( 45.414 -24.664 0.000) 51.679 2.617 ( 35.935 32.920 0.000) 48.734 2.788 ( 9.360 -3.770 0.000) 10.091 3.124 ( 18.105 15.438 0.000) 23.794 3.209 ( 29.871 15.507 0.000) 33.656 3.843 ( -5.410 2.832 0.000) 6.106 4.107 ( 9.671 -4.772 0.000) 10.784 4.472 ( -5.839 0.402 0.000) 5.853 4.899 ( -3.190 -0.004 0.000) 3.190 5.036 ( -7.323 -4.112 0.000) 8.398 5.723 ( 0.127 2.762 0.000) 2.765 5.998 ( -13.089 -4.454 0.000) 13.826 6.268 ( 7.779 1.427 0.000) 7.908 6.557 ( -4.715 -0.440 0.000) 4.735 6.619 ( -3.845 -4.186 0.000) 5.684 7.038 ( -2.204 3.290 0.000) 3.960 7.312 ( -3.487 -11.743 0.000) 12.250 7.713 ( -0.218 5.683 0.000) 5.687 7.717 ( -1.012 -4.284 0.000) 4.402 7.945 ( -4.434 -0.364 0.000) 4.449 8.101 ( 5.461 1.186 0.000) 5.588 8.266 ( -7.574 -5.250 0.000) 9.216 8.479 ( 3.657 0.585 0.000) 3.704 8.709 ( 7.438 4.143 0.000) 8.514 8.711 ( -14.684 -12.585 0.000) 19.339 8.721 ( 4.784 4.087 0.000) 6.292 9.452 ( -5.397 8.322 0.000) 9.918 9.744 ( 5.062 -6.257 0.000) 8.049 10.016 ( 6.911 6.362 0.000) 9.393 13.279 ( 7.499 -4.649 0.000) 8.823 13.635 ( 12.517 11.831 0.000) 17.224 14.194 ( 1.538 -2.211 0.000) 2.693 14.533 ( 8.687 9.278 0.000) 12.710 14.703 ( -0.113 0.546 0.000) 0.558 14.786 ( -1.750 1.736 0.000) 2.465 15.139 ( 2.436 -2.107 0.000) 3.220 15.317 ( 2.520 2.810 0.000) 3.775 15.815 ( 2.653 -1.005 0.000) 2.837 16.532 ( -9.197 -7.036 0.000) 11.580 16.928 ( -12.017 -3.990 0.000) 12.662 17.104 ( -9.807 -0.801 0.000) 9.840 17.230 ( -3.304 3.632 0.000) 4.910 17.747 ( 7.524 -5.541 0.000) 9.344 17.836 ( 8.985 -0.876 0.000) 9.027 18.194 ( 17.650 16.752 0.000) 24.334 18.581 ( -4.686 -6.252 0.000) 7.813 18.933 ( 5.795 10.987 0.000) 12.422 19.496 ( -0.147 1.466 0.000) 1.474 20.528 ( 6.195 -10.765 0.000) 12.421 20.568 ( -15.725 -13.446 0.000) 20.690 21.226 ( -9.695 1.869 0.000) 9.874 21.501 ( -5.038 -0.233 0.000) 5.044 21.676 ( -5.964 2.766 0.000) 6.574 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 25.114 9.277 0.000) 26.773 2.088 ( 43.369 -27.101 0.000) 51.141 3.006 ( 13.779 -7.658 0.000) 15.764 3.143 ( 18.370 9.448 0.000) 20.657 3.541 ( 25.646 23.470 0.000) 34.764 3.703 ( -10.281 0.263 0.000) 10.284 3.798 ( 27.457 12.342 0.000) 30.103 4.228 ( 0.864 -3.041 0.000) 3.161 4.445 ( 5.737 3.494 0.000) 6.717 4.826 ( -4.255 0.900 0.000) 4.349 4.930 ( -1.527 -0.415 0.000) 1.582 5.646 ( -10.378 -1.567 0.000) 10.495 5.782 ( -5.921 2.900 0.000) 6.593 6.379 ( -12.536 -10.778 0.000) 16.532 6.467 ( 12.307 -2.589 0.000) 12.577 6.572 ( -2.869 3.478 0.000) 4.509 6.926 ( -9.247 6.704 0.000) 11.422 7.275 ( -0.705 -12.954 0.000) 12.973 7.682 ( -2.788 4.450 0.000) 5.251 7.726 ( 1.106 -4.875 0.000) 4.999 7.854 ( -4.503 -0.211 0.000) 4.508 8.083 ( -11.006 -6.185 0.000) 12.625 8.230 ( 6.540 0.903 0.000) 6.602 8.464 ( -8.494 -11.175 0.000) 14.037 8.540 ( 1.756 -1.763 0.000) 2.489 8.819 ( 5.390 4.868 0.000) 7.263 8.854 ( 6.959 3.674 0.000) 7.869 9.316 ( -8.491 6.902 0.000) 10.942 9.856 ( 6.242 -3.532 0.000) 7.172 10.124 ( 4.124 5.022 0.000) 6.498 13.466 ( 11.535 -8.437 0.000) 14.291 13.860 ( 10.340 9.517 0.000) 14.053 14.245 ( 4.754 -2.081 0.000) 5.190 14.719 ( 1.503 1.356 0.000) 2.024 14.740 ( 11.605 10.041 0.000) 15.346 14.752 ( -1.545 1.569 0.000) 2.202 15.189 ( 2.734 -2.966 0.000) 4.034 15.379 ( 4.137 4.742 0.000) 6.293 15.823 ( -1.979 -7.070 0.000) 7.342 16.334 ( -10.951 -8.135 0.000) 13.642 16.664 ( -15.195 4.502 0.000) 15.848 16.882 ( -13.187 4.723 0.000) 14.007 17.182 ( -0.922 3.605 0.000) 3.721 17.932 ( -1.951 -1.401 0.000) 2.402 17.949 ( 13.326 -11.282 0.000) 17.461 18.561 ( 20.055 18.299 0.000) 27.149 18.563 ( 5.543 -11.809 0.000) 13.045 19.094 ( 9.899 12.631 0.000) 16.048 19.480 ( -0.443 2.416 0.000) 2.456 20.231 ( -18.738 -16.095 0.000) 24.702 20.676 ( 8.101 -10.276 0.000) 13.085 20.988 ( -15.130 8.374 0.000) 17.292 21.328 ( -12.168 -5.827 0.000) 13.491 21.576 ( -4.758 8.743 0.000) 9.954 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 24.949 6.605 0.000) 25.809 2.819 ( 30.876 -19.056 0.000) 36.283 3.319 ( 18.921 -11.696 0.000) 22.244 3.393 ( 9.364 -0.611 0.000) 9.384 3.428 ( -18.125 -0.387 0.000) 18.129 3.975 ( 14.932 13.235 0.000) 19.953 4.139 ( 9.877 6.143 0.000) 11.631 4.251 ( 3.571 4.140 0.000) 5.467 4.567 ( 3.335 4.813 0.000) 5.856 4.738 ( -5.266 2.260 0.000) 5.730 5.091 ( 18.887 6.397 0.000) 19.941 5.453 ( -6.125 -4.979 0.000) 7.893 5.700 ( -4.603 2.104 0.000) 5.061 6.106 ( -15.002 -15.282 0.000) 21.415 6.489 ( -5.649 6.026 0.000) 8.260 6.711 ( -12.568 12.274 0.000) 17.567 6.720 ( 13.758 -4.825 0.000) 14.579 7.266 ( -1.003 -10.507 0.000) 10.555 7.619 ( -3.280 0.535 0.000) 3.324 7.707 ( -2.758 -3.723 0.000) 4.633 7.785 ( -3.739 -3.914 0.000) 5.413 7.865 ( -11.206 -6.554 0.000) 12.981 8.266 ( 0.922 -6.154 0.000) 6.223 8.504 ( 9.870 -1.265 0.000) 9.951 8.544 ( -1.718 -2.909 0.000) 3.378 8.918 ( 4.668 5.040 0.000) 6.870 8.962 ( 4.111 3.641 0.000) 5.492 9.136 ( -10.111 4.760 0.000) 11.175 9.974 ( 6.018 -0.829 0.000) 6.075 10.170 ( 0.651 3.885 0.000) 3.939 13.697 ( 12.027 -9.165 0.000) 15.121 14.008 ( 4.636 4.446 0.000) 6.423 14.392 ( 10.500 -4.107 0.000) 11.275 14.733 ( -0.214 1.127 0.000) 1.148 14.750 ( 1.201 0.036 0.000) 1.201 14.916 ( 4.759 6.750 0.000) 8.259 15.250 ( 3.930 -3.455 0.000) 5.233 15.465 ( 3.815 4.736 0.000) 6.081 15.772 ( -1.398 -6.956 0.000) 7.095 16.148 ( -7.105 -4.608 0.000) 8.468 16.364 ( -15.760 12.331 0.000) 20.011 16.611 ( -14.822 9.478 0.000) 17.594 17.213 ( 4.336 2.699 0.000) 5.108 17.780 ( -11.539 -0.138 0.000) 11.540 18.249 ( 17.770 -15.766 0.000) 23.755 18.755 ( 11.784 -12.396 0.000) 17.103 18.910 ( 13.650 11.847 0.000) 18.075 19.210 ( -0.534 3.084 0.000) 3.130 19.591 ( 14.856 7.220 0.000) 16.518 19.906 ( -12.381 -10.854 0.000) 16.465 20.654 ( -19.500 13.699 0.000) 23.831 20.743 ( -5.941 -7.428 0.000) 9.512 21.131 ( -3.659 -3.665 0.000) 5.179 21.478 ( -5.713 6.549 0.000) 8.691 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 24.164 4.010 0.000) 24.494 3.035 ( -22.369 1.455 0.000) 22.417 3.239 ( 14.700 -9.381 0.000) 17.438 3.421 ( -3.987 -5.622 0.000) 6.892 3.759 ( 20.452 -9.342 0.000) 22.485 4.014 ( -6.396 0.461 0.000) 6.413 4.364 ( 12.470 0.569 0.000) 12.483 4.367 ( 7.986 7.314 0.000) 10.829 4.523 ( -6.940 8.104 0.000) 10.669 4.596 ( -10.418 -0.174 0.000) 10.420 5.456 ( 5.274 -6.115 0.000) 8.075 5.513 ( 21.313 3.516 0.000) 21.601 5.587 ( -7.074 -2.374 0.000) 7.462 5.838 ( -13.543 -8.963 0.000) 16.241 6.396 ( -2.040 9.414 0.000) 9.633 6.478 ( -10.193 14.644 0.000) 17.842 6.981 ( 13.045 -5.209 0.000) 14.047 7.190 ( -7.855 -6.148 0.000) 9.975 7.593 ( 1.531 -4.899 0.000) 5.133 7.670 ( -0.358 -4.715 0.000) 4.728 7.681 ( -7.422 -6.498 0.000) 9.864 7.703 ( -3.687 -6.110 0.000) 7.136 8.348 ( 6.531 -4.450 0.000) 7.903 8.472 ( -5.583 -3.538 0.000) 6.610 8.717 ( 11.519 0.988 0.000) 11.561 8.933 ( -11.007 2.656 0.000) 11.323 8.988 ( 2.528 4.674 0.000) 5.314 9.008 ( 0.631 4.072 0.000) 4.121 10.080 ( 4.796 1.198 0.000) 4.943 10.151 ( -2.511 2.696 0.000) 3.684 13.904 ( 9.049 -6.756 0.000) 11.293 14.024 ( -3.018 -1.839 0.000) 3.534 14.631 ( 13.735 -6.206 0.000) 15.072 14.742 ( 1.032 0.800 0.000) 1.306 14.759 ( -0.354 -0.139 0.000) 0.380 14.868 ( -9.246 -3.228 0.000) 9.793 15.350 ( 6.448 -4.698 0.000) 7.978 15.467 ( -4.227 -2.378 0.000) 4.850 15.841 ( 8.882 5.394 0.000) 10.391 16.073 ( -14.324 13.245 0.000) 19.510 16.130 ( 5.968 6.489 0.000) 8.816 16.333 ( -13.621 11.361 0.000) 17.737 17.343 ( 9.057 1.814 0.000) 9.237 17.548 ( -11.943 0.812 0.000) 11.971 18.612 ( 19.444 -17.579 0.000) 26.212 18.936 ( -11.441 -10.638 0.000) 15.623 18.962 ( 9.632 -7.591 0.000) 12.264 19.122 ( -7.053 -2.908 0.000) 7.629 19.906 ( 12.864 10.468 0.000) 16.586 19.983 ( 23.685 3.280 0.000) 23.911 20.259 ( -21.052 16.390 0.000) 26.679 20.435 ( -22.139 -2.536 0.000) 22.284 21.206 ( 7.607 -0.764 0.000) 7.645 21.353 ( -7.296 2.857 0.000) 7.835 ======================= Grid point 24 (12/63) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 15.824 15.824 0.000) 22.378 1.480 ( 19.422 19.422 0.000) 27.467 2.772 ( 2.333 2.333 0.000) 3.299 3.061 ( 14.439 14.439 0.000) 20.420 3.573 ( 24.219 24.219 0.000) 34.251 3.591 ( 27.507 27.507 0.000) 38.900 3.838 ( -5.150 -5.150 0.000) 7.283 4.088 ( 4.342 4.342 0.000) 6.140 4.466 ( -0.274 -0.274 0.000) 0.387 4.894 ( -0.627 -0.627 0.000) 0.886 4.940 ( -4.827 -4.827 0.000) 6.826 5.790 ( 3.033 3.033 0.000) 4.289 5.871 ( -8.480 -8.480 0.000) 11.992 6.301 ( 2.340 2.340 0.000) 3.310 6.404 ( -12.917 -12.917 0.000) 18.268 6.629 ( 2.240 2.240 0.000) 3.168 7.097 ( 1.625 1.625 0.000) 2.298 7.120 ( -7.628 -7.628 0.000) 10.788 7.643 ( -2.182 -2.182 0.000) 3.086 7.762 ( -0.438 -0.438 0.000) 0.619 7.906 ( -3.630 -3.630 0.000) 5.133 8.126 ( -9.102 -9.102 0.000) 12.873 8.161 ( 5.156 5.156 0.000) 7.292 8.437 ( -15.067 -15.067 0.000) 21.308 8.492 ( 0.604 0.604 0.000) 0.855 8.818 ( 6.777 6.777 0.000) 9.584 8.819 ( 5.840 5.840 0.000) 8.259 9.591 ( -4.409 -4.409 0.000) 6.235 9.641 ( 5.613 5.613 0.000) 7.938 10.137 ( 5.844 5.844 0.000) 8.265 13.252 ( 1.891 1.891 0.000) 2.675 13.853 ( 10.294 10.294 0.000) 14.557 14.185 ( 0.745 0.745 0.000) 1.054 14.722 ( 1.229 1.229 0.000) 1.737 14.733 ( 11.811 11.811 0.000) 16.703 14.809 ( 0.193 0.193 0.000) 0.272 15.113 ( -0.209 -0.209 0.000) 0.296 15.386 ( 4.465 4.465 0.000) 6.314 15.766 ( -4.382 -4.382 0.000) 6.197 16.361 ( -10.076 -10.076 0.000) 14.249 16.851 ( -4.021 -4.021 0.000) 5.687 17.064 ( -3.686 -3.686 0.000) 5.213 17.271 ( 0.117 0.117 0.000) 0.166 17.704 ( 1.065 1.065 0.000) 1.506 17.854 ( 3.063 3.063 0.000) 4.332 18.452 ( -7.090 -7.090 0.000) 10.027 18.544 ( 19.243 19.243 0.000) 27.213 19.128 ( 9.468 9.468 0.000) 13.390 19.533 ( 1.512 1.512 0.000) 2.138 20.253 ( -18.321 -18.321 0.000) 25.910 20.424 ( 0.920 0.920 0.000) 1.301 21.224 ( -2.691 -2.691 0.000) 3.806 21.391 ( -9.370 -9.370 0.000) 13.251 21.731 ( 1.017 1.017 0.000) 1.439 ======================= Grid point 25 (13/63) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 38.046 -12.104 0.000) 39.925 1.877 ( 21.541 15.201 0.000) 26.364 2.874 ( 8.231 -5.383 0.000) 9.835 3.266 ( 7.860 4.263 0.000) 8.942 3.674 ( -11.421 -3.913 0.000) 12.073 3.989 ( 18.234 21.091 0.000) 27.880 4.072 ( 17.744 13.634 0.000) 22.377 4.209 ( 6.806 1.386 0.000) 6.946 4.514 ( 6.319 4.338 0.000) 7.664 4.864 ( -1.353 3.665 0.000) 3.907 4.943 ( 6.948 2.486 0.000) 7.380 5.641 ( -13.343 -0.277 0.000) 13.346 5.832 ( -1.478 3.242 0.000) 3.563 6.112 ( -16.514 -15.982 0.000) 22.981 6.388 ( 7.448 -5.691 0.000) 9.373 6.655 ( -0.136 4.545 0.000) 4.547 7.033 ( -1.574 -11.484 0.000) 11.591 7.069 ( -4.348 7.091 0.000) 8.318 7.649 ( 1.522 -2.158 0.000) 2.641 7.706 ( -5.085 -1.876 0.000) 5.420 7.815 ( -5.976 -3.991 0.000) 7.186 7.925 ( -11.645 -10.019 0.000) 15.362 8.165 ( -9.855 -12.439 0.000) 15.870 8.306 ( 8.231 0.745 0.000) 8.264 8.496 ( -0.460 -2.770 0.000) 2.808 8.934 ( 5.926 6.691 0.000) 8.938 8.949 ( 6.470 5.890 0.000) 8.750 9.420 ( -10.456 1.947 0.000) 10.635 9.813 ( 9.237 0.556 0.000) 9.254 10.227 ( 3.281 5.243 0.000) 6.185 13.347 ( 7.774 -3.661 0.000) 8.593 14.008 ( 5.427 5.465 0.000) 7.702 14.219 ( 3.200 -0.582 0.000) 3.252 14.742 ( 0.802 0.945 0.000) 1.239 14.792 ( -1.537 2.296 0.000) 2.763 14.955 ( 9.177 10.585 0.000) 14.009 15.135 ( 2.354 -2.264 0.000) 3.266 15.478 ( 4.302 4.663 0.000) 6.345 15.674 ( -3.144 -6.497 0.000) 7.217 16.185 ( -7.018 -5.913 0.000) 9.177 16.763 ( -5.852 5.144 0.000) 7.791 16.958 ( -7.372 2.665 0.000) 7.839 17.252 ( -0.983 2.931 0.000) 3.091 17.786 ( 7.402 -5.520 0.000) 9.233 17.896 ( -1.789 -2.181 0.000) 2.821 18.379 ( 2.423 -7.041 0.000) 7.446 18.885 ( 14.046 13.340 0.000) 19.371 19.281 ( 4.675 7.410 0.000) 8.761 19.554 ( 2.702 3.849 0.000) 4.703 19.924 ( -13.657 -13.254 0.000) 19.031 20.534 ( 8.467 -3.008 0.000) 8.985 21.114 ( -8.762 4.156 0.000) 9.698 21.182 ( -11.488 -9.166 0.000) 14.696 21.700 ( -3.981 3.655 0.000) 5.404 ======================= Grid point 26 (14/63) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 21.508 11.200 0.000) 24.250 2.432 ( 37.728 -18.789 0.000) 42.148 3.088 ( 14.538 -12.074 0.000) 18.898 3.358 ( 1.341 -3.565 0.000) 3.808 3.409 ( -16.022 -1.713 0.000) 16.113 4.135 ( -2.019 3.504 0.000) 4.044 4.303 ( 7.553 10.169 0.000) 12.668 4.352 ( 8.733 5.300 0.000) 10.215 4.680 ( 8.817 7.031 0.000) 11.277 4.805 ( -7.200 3.363 0.000) 7.947 5.226 ( 19.719 5.544 0.000) 20.483 5.389 ( -11.133 -1.339 0.000) 11.213 5.731 ( -8.722 1.803 0.000) 8.906 5.856 ( -7.592 -7.329 0.000) 10.552 6.586 ( 12.712 -8.940 0.000) 15.541 6.617 ( -3.285 6.495 0.000) 7.278 6.950 ( -7.998 12.098 0.000) 14.503 7.043 ( 1.773 -12.059 0.000) 12.188 7.578 ( -7.966 -4.921 0.000) 9.364 7.635 ( -3.096 -3.039 0.000) 4.338 7.669 ( -8.324 -7.764 0.000) 11.383 7.699 ( -11.336 -10.371 0.000) 15.364 8.110 ( 4.141 -9.002 0.000) 9.909 8.464 ( -2.303 -4.970 0.000) 5.477 8.500 ( 10.577 0.122 0.000) 10.578 9.036 ( 4.499 6.799 0.000) 8.153 9.054 ( 4.243 5.568 0.000) 7.001 9.203 ( -12.076 1.080 0.000) 12.125 9.981 ( 8.245 2.073 0.000) 8.502 10.257 ( -0.193 4.826 0.000) 4.830 13.533 ( 11.228 -7.438 0.000) 13.469 14.045 ( -1.746 -0.851 0.000) 1.942 14.320 ( 7.552 -3.068 0.000) 8.151 14.753 ( 0.331 0.597 0.000) 0.682 14.768 ( -0.678 2.281 0.000) 2.379 14.977 ( -7.362 -2.402 0.000) 7.744 15.194 ( 3.718 -2.301 0.000) 4.373 15.500 ( -2.868 -1.671 0.000) 3.320 15.750 ( 11.580 6.494 0.000) 13.277 16.152 ( 4.437 5.753 0.000) 7.266 16.604 ( -10.967 11.925 0.000) 16.201 16.785 ( -10.632 8.085 0.000) 13.357 17.270 ( 3.321 2.670 0.000) 4.261 17.761 ( -10.366 -2.273 0.000) 10.612 17.983 ( 13.076 -11.589 0.000) 17.473 18.554 ( 13.454 -7.381 0.000) 15.346 18.942 ( -9.651 -9.649 0.000) 13.647 19.247 ( -6.885 2.187 0.000) 7.224 19.716 ( 13.377 3.941 0.000) 13.945 19.875 ( 10.134 9.080 0.000) 13.607 20.611 ( -5.121 -5.856 0.000) 7.779 20.891 ( -14.474 10.328 0.000) 17.781 21.047 ( 1.404 -4.132 0.000) 4.364 21.587 ( -7.727 4.015 0.000) 8.708 ======================= Grid point 27 (15/63) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 20.532 6.896 0.000) 21.659 3.008 ( 20.562 -13.863 0.000) 24.799 3.072 ( -18.887 2.352 0.000) 19.033 3.268 ( -7.305 -10.181 0.000) 12.531 3.507 ( 25.499 -16.485 0.000) 30.364 3.966 ( -17.228 -6.749 0.000) 18.503 4.402 ( 5.457 3.717 0.000) 6.603 4.546 ( 11.124 9.946 0.000) 14.922 4.578 ( -13.087 -1.584 0.000) 13.183 4.730 ( -5.528 12.636 0.000) 13.792 5.322 ( 5.758 -6.800 0.000) 8.910 5.522 ( -12.266 -3.464 0.000) 12.746 5.590 ( 16.405 4.230 0.000) 16.941 5.791 ( -4.042 5.196 0.000) 6.583 6.595 ( 3.440 10.007 0.000) 10.582 6.758 ( -11.338 13.538 0.000) 17.659 6.844 ( 13.283 -8.634 0.000) 15.843 7.036 ( -4.868 -9.390 0.000) 10.577 7.454 ( -2.344 -9.535 0.000) 9.819 7.516 ( -7.339 -10.386 0.000) 12.717 7.559 ( -2.193 -7.927 0.000) 8.225 7.572 ( -2.826 -4.459 0.000) 5.279 8.242 ( 7.949 -6.289 0.000) 10.136 8.380 ( -6.023 -5.814 0.000) 8.371 8.725 ( 12.321 -0.625 0.000) 12.337 8.965 ( -12.656 -0.115 0.000) 12.656 9.099 ( 1.934 6.363 0.000) 6.651 9.106 ( 1.193 5.814 0.000) 5.935 10.123 ( 6.390 3.398 0.000) 7.237 10.220 ( -3.625 4.288 0.000) 5.615 13.755 ( 11.375 -8.333 0.000) 14.101 13.947 ( -8.088 -6.030 0.000) 10.088 14.508 ( 11.860 -6.200 0.000) 13.383 14.757 ( -13.490 -7.703 0.000) 15.534 14.757 ( 0.334 0.676 0.000) 0.754 14.764 ( -0.181 0.953 0.000) 0.970 15.280 ( 5.370 -2.545 0.000) 5.943 15.397 ( -6.538 -3.907 0.000) 7.617 16.039 ( 16.736 14.157 0.000) 21.921 16.321 ( 11.730 12.182 0.000) 16.912 16.350 ( -15.191 14.984 0.000) 21.337 16.560 ( -12.553 11.719 0.000) 17.173 17.378 ( 7.691 1.270 0.000) 7.796 17.554 ( -10.458 -0.576 0.000) 10.474 18.279 ( 17.529 -16.383 0.000) 23.993 18.636 ( -18.999 -18.200 0.000) 26.310 18.825 ( 13.908 -5.371 0.000) 14.909 19.068 ( -11.305 -1.699 0.000) 11.432 20.019 ( 17.605 -0.475 0.000) 17.611 20.193 ( 19.843 17.199 0.000) 26.259 20.362 ( -17.324 -5.121 0.000) 18.065 20.570 ( -18.755 15.189 0.000) 24.134 21.201 ( 11.118 0.555 0.000) 11.132 21.412 ( -10.370 2.829 0.000) 10.748 ======================= Grid point 36 (16/63) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 15.077 15.077 0.000) 21.323 2.194 ( 17.421 17.421 0.000) 24.638 2.817 ( -0.263 -0.263 0.000) 0.372 3.308 ( -0.238 -0.238 0.000) 0.337 3.552 ( -8.489 -8.489 0.000) 12.005 4.197 ( 1.626 1.626 0.000) 2.299 4.271 ( 5.005 5.005 0.000) 7.078 4.350 ( 13.255 13.255 0.000) 18.746 4.643 ( 9.592 9.592 0.000) 13.565 4.961 ( -1.351 -1.351 0.000) 1.910 5.017 ( 9.786 9.786 0.000) 13.839 5.565 ( -8.261 -8.261 0.000) 11.682 5.861 ( -6.204 -6.204 0.000) 8.773 5.923 ( 3.831 3.831 0.000) 5.418 6.279 ( -3.190 -3.190 0.000) 4.511 6.717 ( 1.187 1.187 0.000) 1.679 6.866 ( -5.270 -5.270 0.000) 7.454 7.158 ( 1.924 1.924 0.000) 2.720 7.618 ( -7.159 -7.159 0.000) 10.125 7.669 ( 3.271 3.271 0.000) 4.625 7.688 ( -9.790 -9.790 0.000) 13.845 7.710 ( -12.244 -12.244 0.000) 17.316 7.931 ( -8.223 -8.223 0.000) 11.628 8.374 ( 4.862 4.862 0.000) 6.875 8.437 ( -3.108 -3.108 0.000) 4.395 9.060 ( 6.186 6.186 0.000) 8.748 9.065 ( 5.831 5.831 0.000) 8.247 9.354 ( -7.985 -7.985 0.000) 11.293 9.901 ( 7.595 7.595 0.000) 10.741 10.310 ( 3.186 3.186 0.000) 4.506 13.333 ( 2.254 2.254 0.000) 3.187 14.054 ( -0.873 -0.873 0.000) 1.234 14.225 ( 1.320 1.320 0.000) 1.867 14.757 ( 0.680 0.680 0.000) 0.962 14.822 ( 0.492 0.492 0.000) 0.696 15.030 ( -4.782 -4.782 0.000) 6.762 15.119 ( 0.911 0.911 0.000) 1.289 15.510 ( -1.964 -1.964 0.000) 2.778 15.692 ( 10.299 10.299 0.000) 14.565 16.167 ( 4.709 4.709 0.000) 6.660 16.835 ( 1.629 1.629 0.000) 2.304 16.973 ( -1.312 -1.312 0.000) 1.855 17.280 ( 0.339 0.339 0.000) 0.479 17.740 ( 0.739 0.739 0.000) 1.044 17.832 ( -5.448 -5.448 0.000) 7.704 18.333 ( 3.453 3.453 0.000) 4.883 18.941 ( -9.082 -9.082 0.000) 12.843 19.397 ( 3.375 3.375 0.000) 4.772 19.586 ( 1.153 1.153 0.000) 1.630 19.865 ( 8.816 8.816 0.000) 12.468 20.556 ( 2.833 2.833 0.000) 4.006 21.009 ( -7.076 -7.076 0.000) 10.007 21.136 ( -2.043 -2.043 0.000) 2.890 21.712 ( -2.326 -2.326 0.000) 3.290 ======================= Grid point 37 (17/63) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 30.923 -5.963 0.000) 31.492 2.527 ( 17.062 13.017 0.000) 21.461 2.878 ( 7.077 -9.251 0.000) 11.648 3.243 ( -6.560 -8.553 0.000) 10.779 3.360 ( -11.460 -3.483 0.000) 11.977 4.133 ( -9.964 -4.575 0.000) 10.964 4.413 ( 10.132 1.255 0.000) 10.209 4.485 ( 1.452 8.257 0.000) 8.384 4.746 ( -14.511 -10.519 0.000) 17.923 4.868 ( 12.847 13.047 0.000) 18.311 5.328 ( 20.076 9.308 0.000) 22.129 5.345 ( -13.469 -5.648 0.000) 14.605 5.831 ( -12.338 10.196 0.000) 16.006 5.920 ( 8.106 11.665 0.000) 14.204 6.387 ( 12.940 -11.669 0.000) 17.425 6.693 ( -2.629 0.284 0.000) 2.644 6.835 ( 1.355 -8.864 0.000) 8.967 7.140 ( -5.128 6.466 0.000) 8.253 7.435 ( -11.919 -9.784 0.000) 15.420 7.479 ( -11.003 -12.437 0.000) 16.605 7.485 ( -7.764 -9.130 0.000) 11.985 7.658 ( -4.669 5.375 0.000) 7.120 7.949 ( 8.093 -7.581 0.000) 11.089 8.359 ( -4.275 -5.735 0.000) 7.153 8.504 ( 7.872 0.273 0.000) 7.877 9.156 ( -11.998 -5.943 0.000) 13.389 9.161 ( 4.177 5.866 0.000) 7.201 9.162 ( 4.131 5.546 0.000) 6.916 10.060 ( 8.394 5.881 0.000) 10.249 10.341 ( -0.088 3.650 0.000) 3.652 13.428 ( 7.415 -3.280 0.000) 8.108 13.976 ( -6.948 -6.092 0.000) 9.240 14.278 ( 4.523 -1.200 0.000) 4.679 14.767 ( 0.361 0.781 0.000) 0.861 14.814 ( -0.988 2.279 0.000) 2.484 14.841 ( -12.571 -10.089 0.000) 16.119 15.167 ( 3.684 -0.373 0.000) 3.703 15.430 ( -5.266 -4.522 0.000) 6.942 15.992 ( 18.394 16.706 0.000) 24.848 16.333 ( 11.307 11.793 0.000) 16.338 16.799 ( -5.675 8.026 0.000) 9.829 16.906 ( -5.567 4.425 0.000) 7.112 17.298 ( 2.344 0.150 0.000) 2.349 17.686 ( -8.960 -5.461 0.000) 10.493 17.814 ( 6.952 -5.962 0.000) 9.158 18.505 ( 13.259 2.682 0.000) 13.527 18.645 ( -18.633 -18.430 0.000) 26.208 19.324 ( -9.675 5.800 0.000) 11.280 19.708 ( 10.740 -4.470 0.000) 11.633 20.157 ( 18.652 17.677 0.000) 25.697 20.491 ( -10.549 -8.003 0.000) 13.241 21.021 ( 8.409 2.433 0.000) 8.754 21.036 ( -8.331 4.666 0.000) 9.549 21.620 ( -7.026 -0.537 0.000) 7.046 ======================= Grid point 38 (18/63) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 23.225 -12.881 0.000) 26.558 2.840 ( 15.505 7.977 0.000) 17.437 3.043 ( -8.078 -12.829 0.000) 15.160 3.119 ( -13.644 2.292 0.000) 13.835 3.167 ( 19.839 -17.859 0.000) 26.694 3.726 ( -30.247 -17.959 0.000) 35.177 4.499 ( 2.356 5.904 0.000) 6.357 4.574 ( -5.144 1.994 0.000) 5.517 4.658 ( 15.030 0.035 0.000) 15.030 4.945 ( -11.879 5.719 0.000) 13.184 5.252 ( 11.240 2.747 0.000) 11.571 5.544 ( -16.373 8.422 0.000) 18.412 5.715 ( 18.697 9.159 0.000) 20.820 5.972 ( -5.920 11.919 0.000) 13.308 6.667 ( 14.446 -9.639 0.000) 17.367 6.715 ( 7.227 1.024 0.000) 7.299 6.854 ( -2.689 -9.018 0.000) 9.410 6.938 ( -13.685 3.160 0.000) 14.045 7.236 ( -5.312 -12.899 0.000) 13.950 7.290 ( -8.311 -13.307 0.000) 15.689 7.460 ( 3.337 -0.244 0.000) 3.346 7.553 ( -5.657 3.595 0.000) 6.703 8.121 ( 8.587 -6.018 0.000) 10.486 8.261 ( -6.075 -6.257 0.000) 8.721 8.685 ( 10.960 -3.569 0.000) 11.527 8.915 ( -12.751 -5.134 0.000) 13.746 9.216 ( 1.489 5.387 0.000) 5.589 9.216 ( 1.451 5.588 0.000) 5.774 10.206 ( 6.609 5.072 0.000) 8.331 10.305 ( -3.617 4.359 0.000) 5.664 13.603 ( 10.378 -7.175 0.000) 12.617 13.806 ( -10.315 -8.282 0.000) 13.228 14.403 ( 8.522 -4.617 0.000) 9.693 14.600 ( -11.864 -8.165 0.000) 14.402 14.775 ( 0.609 1.261 0.000) 1.401 14.793 ( -1.145 2.032 0.000) 2.333 15.246 ( 4.384 -1.215 0.000) 4.549 15.333 ( -4.747 -2.814 0.000) 5.518 16.338 ( 16.982 16.104 0.000) 23.404 16.560 ( 11.675 12.098 0.000) 16.813 16.623 ( -12.418 12.954 0.000) 17.944 16.763 ( -9.286 9.167 0.000) 13.049 17.378 ( 5.898 -1.347 0.000) 6.050 17.516 ( -8.352 -3.390 0.000) 9.013 18.004 ( 12.728 -12.088 0.000) 17.553 18.294 ( -17.274 -16.844 0.000) 24.127 18.793 ( 15.901 2.492 0.000) 16.095 19.087 ( -14.349 4.021 0.000) 14.902 19.950 ( 14.075 -6.639 0.000) 15.563 20.232 ( -14.945 -8.604 0.000) 17.245 20.515 ( 17.876 15.779 0.000) 23.844 20.822 ( -13.879 10.858 0.000) 17.622 21.233 ( 12.039 2.779 0.000) 12.356 21.451 ( -10.374 1.191 0.000) 10.443 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 11.776 11.776 0.000) 16.654 2.764 ( -1.824 -1.824 0.000) 2.580 2.773 ( 12.275 12.275 0.000) 17.360 3.041 ( -11.966 -11.966 0.000) 16.922 3.275 ( -5.364 -5.364 0.000) 7.586 3.869 ( -23.712 -23.712 0.000) 33.533 4.451 ( 4.081 4.081 0.000) 5.772 4.587 ( -1.636 -1.636 0.000) 2.314 4.609 ( 3.491 3.491 0.000) 4.937 5.131 ( -3.018 -3.018 0.000) 4.269 5.182 ( 6.218 6.218 0.000) 8.793 5.591 ( 16.570 16.570 0.000) 23.434 6.081 ( 4.548 4.548 0.000) 6.432 6.167 ( -1.367 -1.367 0.000) 1.934 6.174 ( 12.088 12.088 0.000) 17.095 6.621 ( -6.157 -6.157 0.000) 8.707 6.729 ( -1.964 -1.964 0.000) 2.778 7.107 ( -10.033 -10.033 0.000) 14.189 7.223 ( -13.296 -13.296 0.000) 18.803 7.223 ( -12.696 -12.696 0.000) 17.955 7.435 ( 4.679 4.679 0.000) 6.617 7.800 ( -0.853 -0.853 0.000) 1.207 7.846 ( 5.387 5.387 0.000) 7.618 8.252 ( -5.307 -5.307 0.000) 7.505 8.519 ( 1.839 1.839 0.000) 2.601 8.993 ( -10.540 -10.540 0.000) 14.905 9.252 ( 3.828 3.828 0.000) 5.413 9.257 ( 3.873 3.873 0.000) 5.477 10.187 ( 6.797 6.797 0.000) 9.613 10.387 ( 1.010 1.010 0.000) 1.429 13.414 ( 1.841 1.841 0.000) 2.603 13.826 ( -9.104 -9.104 0.000) 12.875 14.279 ( 1.370 1.370 0.000) 1.937 14.638 ( -10.435 -10.435 0.000) 14.757 14.783 ( 0.941 0.941 0.000) 1.331 14.844 ( 0.578 0.578 0.000) 0.817 15.181 ( 1.770 1.770 0.000) 2.504 15.350 ( -3.722 -3.722 0.000) 5.263 16.327 ( 17.297 17.297 0.000) 24.462 16.565 ( 11.795 11.795 0.000) 16.680 16.891 ( 0.976 0.976 0.000) 1.380 16.948 ( -0.118 -0.118 0.000) 0.167 17.295 ( 0.395 0.395 0.000) 0.559 17.563 ( -6.976 -6.976 0.000) 9.866 17.759 ( 0.264 0.264 0.000) 0.373 18.297 ( -17.100 -17.100 0.000) 24.184 18.649 ( 11.629 11.629 0.000) 16.446 19.412 ( -1.698 -1.698 0.000) 2.402 19.619 ( 0.544 0.544 0.000) 0.770 20.291 ( -12.495 -12.495 0.000) 17.671 20.494 ( 16.750 16.750 0.000) 23.688 21.066 ( -1.548 -1.548 0.000) 2.189 21.132 ( 8.103 8.103 0.000) 11.460 21.570 ( -4.477 -4.477 0.000) 6.331 ======================= Grid point 49 (20/63) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 16.612 -6.579 0.000) 17.867 2.802 ( -10.385 -11.876 0.000) 15.776 2.869 ( 13.141 -11.928 0.000) 17.747 2.987 ( 9.962 7.069 0.000) 12.216 3.153 ( -7.476 1.095 0.000) 7.556 3.329 ( -29.572 -21.877 0.000) 36.784 4.595 ( 11.066 -4.132 0.000) 11.813 4.610 ( 2.624 5.347 0.000) 5.956 4.644 ( -0.297 4.379 0.000) 4.389 4.857 ( -15.426 -10.346 0.000) 18.574 5.500 ( 17.559 18.818 0.000) 25.738 5.828 ( -16.510 19.111 0.000) 25.255 5.922 ( 17.293 11.980 0.000) 21.037 6.210 ( -10.397 12.326 0.000) 16.125 6.473 ( 17.925 -11.020 0.000) 21.042 6.631 ( 9.748 -8.564 0.000) 12.976 6.716 ( -3.497 -4.807 0.000) 5.944 6.870 ( -13.341 -8.258 0.000) 15.690 6.969 ( -8.393 -15.311 0.000) 17.460 7.016 ( -9.079 -14.395 0.000) 17.019 7.562 ( 7.204 8.784 0.000) 11.360 7.692 ( -6.395 8.945 0.000) 10.996 8.027 ( 8.404 -3.263 0.000) 9.015 8.153 ( -5.346 -4.730 0.000) 7.138 8.598 ( 6.884 -4.935 0.000) 8.470 8.778 ( -11.164 -8.735 0.000) 14.175 9.303 ( 1.482 3.635 0.000) 3.925 9.306 ( 1.208 3.645 0.000) 3.840 10.304 ( 5.164 4.795 0.000) 7.047 10.376 ( -2.233 2.768 0.000) 3.556 13.495 ( 6.401 -3.796 0.000) 7.443 13.647 ( -9.116 -7.854 0.000) 12.033 14.336 ( 4.677 -2.306 0.000) 5.215 14.458 ( -8.054 -6.460 0.000) 10.325 14.807 ( 1.522 1.989 0.000) 2.505 14.836 ( -1.243 2.134 0.000) 2.469 15.228 ( 2.883 -0.714 0.000) 2.970 15.286 ( -3.106 -2.224 0.000) 3.820 16.626 ( 13.429 13.421 0.000) 18.986 16.767 ( 9.006 9.290 0.000) 12.939 16.828 ( -7.313 8.048 0.000) 10.874 16.901 ( -4.820 5.067 0.000) 6.994 17.335 ( 3.883 -2.566 0.000) 4.654 17.434 ( -6.191 -4.798 0.000) 7.832 17.825 ( 6.641 -6.384 0.000) 9.212 18.010 ( -12.567 -12.425 0.000) 17.672 18.918 ( 15.621 10.040 0.000) 18.569 19.215 ( -14.663 8.675 0.000) 17.037 19.780 ( 12.348 -10.479 0.000) 16.195 20.035 ( -13.778 -11.819 0.000) 18.153 20.780 ( 12.883 11.720 0.000) 17.417 20.978 ( -7.590 5.342 0.000) 9.281 21.299 ( 8.839 3.830 0.000) 9.633 21.456 ( -7.296 -0.696 0.000) 7.329 ======================= Grid point 60 (21/63) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 1.744 1.744 0.000) 2.467 2.602 ( -8.203 -8.203 0.000) 11.601 2.768 ( 2.117 2.117 0.000) 2.994 2.951 ( -16.097 -16.097 0.000) 22.765 3.099 ( 4.442 4.442 0.000) 6.281 3.153 ( -1.272 -1.272 0.000) 1.799 4.563 ( 1.558 1.558 0.000) 2.203 4.663 ( -8.540 -8.540 0.000) 12.077 4.692 ( 2.830 2.830 0.000) 4.003 4.706 ( 1.476 1.476 0.000) 2.087 5.874 ( 19.130 19.130 0.000) 27.054 6.159 ( 12.578 12.578 0.000) 17.788 6.166 ( 0.521 0.521 0.000) 0.737 6.278 ( 5.232 5.232 0.000) 7.399 6.372 ( -4.661 -4.661 0.000) 6.591 6.493 ( 4.187 4.187 0.000) 5.921 6.623 ( -17.463 -17.463 0.000) 24.697 6.681 ( -10.716 -10.716 0.000) 15.155 6.695 ( -0.222 -0.222 0.000) 0.315 6.789 ( -8.726 -8.726 0.000) 12.341 7.723 ( 6.903 6.903 0.000) 9.763 7.796 ( 0.187 0.187 0.000) 0.264 8.027 ( 3.161 3.161 0.000) 4.470 8.085 ( -2.659 -2.659 0.000) 3.761 8.533 ( -0.502 -0.502 0.000) 0.710 8.609 ( -7.767 -7.767 0.000) 10.985 9.351 ( 1.329 1.329 0.000) 1.880 9.353 ( 1.190 1.190 0.000) 1.682 10.378 ( 2.760 2.760 0.000) 3.903 10.404 ( 0.092 0.092 0.000) 0.130 13.465 ( 0.710 0.710 0.000) 1.004 13.521 ( -5.016 -5.016 0.000) 7.094 14.319 ( 0.591 0.591 0.000) 0.835 14.360 ( -3.710 -3.710 0.000) 5.246 14.845 ( 1.724 1.724 0.000) 2.439 14.861 ( 0.261 0.261 0.000) 0.368 15.224 ( 0.479 0.479 0.000) 0.678 15.247 ( -1.758 -1.758 0.000) 2.486 16.834 ( 7.921 7.921 0.000) 11.202 16.905 ( 4.940 4.940 0.000) 6.986 16.911 ( 0.227 0.227 0.000) 0.320 16.952 ( 0.138 0.138 0.000) 0.195 17.306 ( 0.163 0.163 0.000) 0.231 17.348 ( -3.819 -3.819 0.000) 5.401 17.764 ( 0.032 0.032 0.000) 0.045 17.827 ( -6.554 -6.554 0.000) 9.268 19.149 ( 13.088 13.088 0.000) 18.510 19.334 ( -1.531 -1.531 0.000) 2.165 19.631 ( 0.142 0.142 0.000) 0.201 19.796 ( -12.469 -12.469 0.000) 17.634 20.955 ( 6.449 6.449 0.000) 9.120 21.023 ( -0.600 -0.600 0.000) 0.848 21.371 ( 3.462 3.462 0.000) 4.896 21.427 ( -2.300 -2.300 0.000) 3.253 ======================= Grid point 121 (22/63) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 0.000 25.775) 25.775 0.552 ( 0.000 0.000 25.775) 25.775 1.424 ( 0.000 0.000 65.016) 65.016 2.321 ( 0.000 -0.000 -23.524) 23.524 2.321 ( 0.000 0.000 -23.524) 23.524 2.577 ( -0.000 -0.000 29.082) 29.082 4.139 ( -0.000 0.000 16.190) 16.190 4.139 ( 0.000 0.000 16.190) 16.190 4.566 ( -0.000 -0.000 -10.843) 10.843 5.030 ( 0.000 0.000 5.780) 5.780 5.030 ( 0.000 0.000 5.780) 5.780 5.200 ( 0.000 0.000 -35.933) 35.933 5.830 ( 0.000 0.000 -13.196) 13.196 6.434 ( 0.000 0.000 -11.519) 11.519 6.434 ( 0.000 0.000 -11.519) 11.519 6.847 ( -0.000 -0.000 -20.156) 20.156 7.326 ( 0.000 0.000 22.358) 22.358 7.651 ( 0.000 -0.000 5.847) 5.847 7.651 ( -0.000 0.000 5.847) 5.847 7.998 ( 0.000 0.000 16.908) 16.908 8.010 ( -0.000 0.000 -2.869) 2.869 8.010 ( 0.000 -0.000 -2.869) 2.869 8.265 ( 0.000 0.000 -4.469) 4.469 8.423 ( -0.000 -0.000 5.061) 5.061 8.585 ( 0.000 -0.000 -0.459) 0.459 8.585 ( 0.000 0.000 -0.459) 0.459 9.405 ( 0.000 0.000 1.680) 1.680 9.405 ( -0.000 -0.000 1.680) 1.680 9.546 ( 0.000 0.000 1.169) 1.169 9.732 ( 0.000 0.000 -2.782) 2.782 13.216 ( -0.000 -0.000 3.937) 3.937 13.216 ( -0.000 -0.000 3.937) 3.937 13.968 ( 0.000 0.000 -14.921) 14.921 13.968 ( 0.000 0.000 -14.921) 14.921 14.882 ( 0.000 -0.000 4.852) 4.852 14.882 ( -0.000 -0.000 4.852) 4.852 15.058 ( 0.000 0.000 1.340) 1.340 15.331 ( 0.000 0.000 -6.692) 6.692 15.810 ( 0.000 0.000 12.315) 12.315 16.671 ( -0.000 -0.000 -8.230) 8.230 17.094 ( -0.000 -0.000 -8.980) 8.980 17.094 ( -0.000 -0.000 -8.980) 8.980 17.611 ( 0.000 0.000 1.300) 1.300 17.699 ( 0.000 0.000 -0.846) 0.846 17.981 ( 0.000 0.000 22.471) 22.471 17.981 ( 0.000 0.000 22.471) 22.471 18.607 ( 0.000 0.000 2.641) 2.641 18.899 ( 0.000 0.000 -3.899) 3.899 19.360 ( -0.000 -0.000 -9.101) 9.101 19.360 ( 0.000 0.000 -9.101) 9.101 21.218 ( -0.000 -0.000 0.459) 0.459 21.342 ( 0.000 0.000 -4.064) 4.064 21.589 ( 0.000 0.000 6.355) 6.355 21.862 ( 0.000 0.000 -1.448) 1.448 ======================= Grid point 122 (23/63) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 18.231 0.000 19.456) 26.663 1.042 ( 38.563 0.000 12.668) 40.591 1.751 ( 30.567 0.000 51.715) 60.073 2.395 ( 7.384 0.000 -23.049) 24.203 2.450 ( 12.402 0.000 -21.149) 24.518 2.769 ( 19.002 0.000 25.677) 31.943 4.098 ( -3.553 0.000 14.213) 14.650 4.181 ( 4.148 0.000 13.872) 14.479 4.564 ( -1.511 0.000 -5.881) 6.072 5.011 ( -1.577 0.000 3.428) 3.774 5.108 ( 3.438 0.000 0.422) 3.464 5.248 ( 4.530 0.000 -31.159) 31.487 5.841 ( 1.719 0.000 -16.325) 16.415 6.409 ( -9.589 0.000 -2.972) 10.038 6.460 ( 2.601 0.000 -10.308) 10.631 6.542 ( -13.612 0.000 -15.732) 20.804 7.282 ( -4.368 0.000 18.555) 19.062 7.630 ( -3.974 0.000 2.295) 4.589 7.632 ( -2.604 0.000 5.467) 6.056 7.940 ( -1.618 0.000 7.185) 7.364 7.982 ( -2.903 0.000 -3.139) 4.275 8.094 ( 4.876 0.000 8.127) 9.477 8.324 ( 3.995 0.000 -3.135) 5.078 8.413 ( 1.031 0.000 2.287) 2.509 8.611 ( 2.027 0.000 2.086) 2.909 8.613 ( 2.822 0.000 0.171) 2.827 9.183 ( -14.749 0.000 2.593) 14.975 9.388 ( -2.798 0.000 -2.232) 3.579 9.735 ( 11.406 0.000 0.462) 11.416 9.765 ( 3.238 0.000 -0.943) 3.373 13.277 ( 6.194 0.000 3.704) 7.217 13.292 ( 7.339 0.000 4.005) 8.360 14.029 ( 3.221 0.000 -17.646) 17.937 14.037 ( 6.984 0.000 -14.679) 16.256 14.817 ( -4.787 0.000 3.465) 5.909 14.845 ( -3.141 0.000 2.985) 4.333 15.122 ( 4.750 0.000 2.484) 5.360 15.320 ( -0.496 0.000 -0.898) 1.026 15.814 ( 2.168 0.000 10.738) 10.954 16.631 ( -4.110 0.000 -8.061) 9.048 17.092 ( -1.506 0.000 -7.115) 7.272 17.100 ( 0.270 0.000 -7.916) 7.921 17.449 ( -14.823 0.000 7.306) 16.525 17.565 ( -2.968 0.000 -1.144) 3.181 18.006 ( 3.049 0.000 19.969) 20.201 18.088 ( 10.315 0.000 22.219) 24.496 18.633 ( 3.432 0.000 2.400) 4.188 18.847 ( -4.867 0.000 -1.830) 5.200 19.370 ( 0.842 0.000 -9.582) 9.619 19.873 ( 27.973 0.000 -31.979) 42.487 21.120 ( -8.466 0.000 4.884) 9.774 21.316 ( -3.145 0.000 -3.915) 5.022 21.545 ( -4.069 0.000 5.975) 7.229 21.809 ( -5.495 0.000 -1.436) 5.680 ======================= Grid point 123 (24/63) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 23.295 0.000 12.501) 26.437 1.807 ( 39.485 0.000 5.081) 39.810 2.437 ( 37.236 0.000 30.769) 48.304 2.587 ( 12.319 0.000 -21.570) 24.840 2.772 ( 21.492 0.000 -10.818) 24.061 3.242 ( 28.570 0.000 18.521) 34.048 4.028 ( -3.495 0.000 13.003) 13.465 4.278 ( 5.238 0.000 7.046) 8.780 4.466 ( -8.906 0.000 -0.322) 8.912 4.982 ( -1.379 0.000 5.065) 5.249 5.116 ( -1.468 0.000 5.377) 5.574 5.346 ( 4.951 0.000 -24.472) 24.968 5.930 ( 8.149 0.000 -22.513) 23.942 6.042 ( -20.252 0.000 -2.611) 20.420 6.480 ( -1.619 0.000 -13.795) 13.890 6.520 ( 3.235 0.000 -6.623) 7.371 7.164 ( -7.891 0.000 11.706) 14.117 7.525 ( -6.145 0.000 -0.617) 6.176 7.537 ( -6.966 0.000 1.401) 7.105 7.898 ( -5.791 0.000 -3.878) 6.970 7.951 ( 2.461 0.000 9.894) 10.196 8.196 ( 6.049 0.000 8.460) 10.400 8.336 ( -3.847 0.000 1.078) 3.995 8.448 ( 2.706 0.000 -2.454) 3.654 8.675 ( 2.304 0.000 0.411) 2.341 8.704 ( 7.655 0.000 2.850) 8.168 8.909 ( -12.251 0.000 4.790) 13.154 9.304 ( -5.459 0.000 -4.250) 6.919 9.840 ( 4.278 0.000 1.275) 4.464 9.928 ( 8.545 0.000 -0.267) 8.549 13.441 ( 10.477 0.000 3.163) 10.944 13.481 ( 11.960 0.000 3.908) 12.582 14.077 ( 2.849 0.000 -12.788) 13.102 14.219 ( 11.500 0.000 -13.905) 18.044 14.744 ( -2.331 0.000 2.228) 3.225 14.787 ( -2.554 0.000 1.134) 2.795 15.205 ( 3.695 0.000 2.938) 4.721 15.321 ( 0.528 0.000 1.467) 1.559 15.881 ( 3.746 0.000 5.971) 7.049 16.519 ( -7.447 0.000 -7.362) 10.471 16.967 ( -12.277 0.000 -0.957) 12.314 17.065 ( -6.651 0.000 -4.739) 8.167 17.212 ( -8.394 0.000 4.534) 9.541 17.568 ( 3.531 0.000 -9.642) 10.269 18.122 ( 9.621 0.000 14.338) 17.267 18.344 ( 15.527 0.000 22.402) 27.257 18.719 ( 5.056 0.000 2.045) 5.454 18.746 ( -4.386 0.000 0.954) 4.489 19.384 ( 0.684 0.000 -8.796) 8.823 20.222 ( 10.376 0.000 -25.741) 27.753 20.945 ( -8.879 0.000 7.115) 11.378 21.188 ( -10.908 0.000 -0.960) 10.950 21.467 ( -3.463 0.000 2.384) 4.204 21.652 ( -10.910 0.000 -1.358) 10.994 ======================= Grid point 124 (25/63) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 24.682 0.000 8.142) 25.990 2.496 ( 30.899 0.000 -1.403) 30.930 2.858 ( 15.890 0.000 -17.913) 23.945 3.010 ( 21.893 0.000 -1.971) 21.982 3.330 ( 35.263 0.000 17.171) 39.221 3.778 ( 24.404 0.000 10.253) 26.470 3.958 ( -4.538 0.000 15.661) 16.305 4.259 ( -10.677 0.000 -1.386) 10.767 4.360 ( 3.779 0.000 -1.353) 4.014 4.954 ( -1.727 0.000 10.308) 10.451 5.109 ( 2.136 0.000 13.066) 13.240 5.425 ( 3.464 0.000 -19.005) 19.318 5.697 ( -15.024 0.000 -3.237) 15.369 6.137 ( 12.240 0.000 -25.099) 27.924 6.423 ( -4.437 0.000 -8.795) 9.851 6.563 ( 0.485 0.000 0.392) 0.624 6.982 ( -10.846 0.000 7.388) 13.123 7.391 ( -7.323 0.000 -6.291) 9.654 7.407 ( -6.244 0.000 -4.923) 7.951 7.766 ( -7.842 0.000 -5.904) 9.816 8.011 ( 3.092 0.000 11.494) 11.903 8.210 ( -8.147 0.000 4.825) 9.468 8.330 ( 7.731 0.000 7.524) 10.788 8.497 ( 1.805 0.000 -4.555) 4.900 8.572 ( -10.537 0.000 -0.572) 10.553 8.854 ( 4.462 0.000 6.966) 8.272 8.857 ( 7.337 0.000 2.024) 7.612 9.190 ( -6.199 0.000 -3.416) 7.078 9.923 ( 4.354 0.000 1.969) 4.779 10.058 ( 4.960 0.000 -0.759) 5.018 13.658 ( 11.688 0.000 2.740) 12.005 13.727 ( 13.016 0.000 3.423) 13.458 14.171 ( 7.477 0.000 -7.911) 10.886 14.457 ( 12.896 0.000 -12.428) 17.910 14.732 ( 0.778 0.000 0.858) 1.159 14.752 ( -1.054 0.000 0.764) 1.302 15.267 ( 3.131 0.000 2.784) 4.190 15.340 ( 1.661 0.000 0.962) 1.919 15.926 ( 0.476 0.000 2.940) 2.978 16.353 ( -9.688 0.000 -6.098) 11.448 16.652 ( -19.461 0.000 2.511) 19.622 16.812 ( -16.934 0.000 -1.256) 16.981 17.156 ( 0.180 0.000 1.818) 1.827 17.644 ( 2.413 0.000 -14.532) 14.731 18.376 ( 16.324 0.000 9.043) 18.662 18.572 ( 4.847 0.000 21.936) 22.466 18.805 ( 14.100 0.000 -1.908) 14.229 18.816 ( 5.089 0.000 0.284) 5.097 19.411 ( 3.044 0.000 -3.153) 4.383 20.285 ( -4.410 0.000 -12.750) 13.492 20.835 ( -1.144 0.000 2.438) 2.693 20.907 ( -17.920 0.000 2.656) 18.116 21.396 ( -15.606 0.000 -1.308) 15.661 21.409 ( -3.017 0.000 -2.018) 3.630 ======================= Grid point 125 (26/63) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 24.633 0.000 5.011) 25.138 2.943 ( 15.621 0.000 -11.378) 19.326 3.141 ( 9.757 0.000 -7.885) 12.544 3.345 ( 13.244 0.000 -3.989) 13.831 3.849 ( -4.198 0.000 14.933) 15.512 3.927 ( 16.480 0.000 8.792) 18.679 4.040 ( 9.902 0.000 2.662) 10.253 4.149 ( 0.167 0.000 -2.559) 2.564 4.511 ( 11.630 0.000 3.278) 12.083 4.913 ( -2.591 0.000 14.518) 14.748 5.237 ( 12.001 0.000 14.807) 19.060 5.480 ( 2.041 0.000 -13.540) 13.693 5.507 ( -3.892 0.000 -1.559) 4.192 6.304 ( 0.597 0.000 -18.807) 18.816 6.323 ( -5.249 0.000 -3.627) 6.380 6.507 ( -6.626 0.000 8.398) 10.697 6.808 ( -3.533 0.000 2.999) 4.634 7.277 ( -7.557 0.000 -9.001) 11.753 7.298 ( -1.569 0.000 -16.454) 16.528 7.609 ( -8.300 0.000 -9.923) 12.936 8.036 ( -1.281 0.000 11.683) 11.754 8.057 ( -7.116 0.000 8.100) 10.782 8.395 ( -2.922 0.000 3.932) 4.899 8.506 ( -0.957 0.000 -4.850) 4.943 8.517 ( 8.270 0.000 0.094) 8.271 8.949 ( 0.587 0.000 -1.803) 1.897 8.956 ( 5.281 0.000 7.329) 9.033 9.086 ( -3.437 0.000 2.764) 4.411 10.004 ( 4.025 0.000 1.408) 4.264 10.118 ( 1.473 0.000 -0.885) 1.718 13.869 ( 9.898 0.000 2.746) 10.272 13.950 ( 9.490 0.000 3.094) 9.982 14.361 ( 11.769 0.000 -5.916) 13.172 14.687 ( 9.434 0.000 -11.070) 14.545 14.750 ( 1.061 0.000 1.547) 1.876 14.753 ( 1.615 0.000 0.212) 1.629 15.343 ( 5.175 0.000 2.269) 5.650 15.390 ( 3.601 0.000 0.171) 3.605 15.897 ( -3.136 0.000 1.279) 3.386 16.157 ( -10.945 0.000 -3.815) 11.591 16.272 ( -18.400 0.000 2.793) 18.611 16.470 ( -18.019 0.000 -1.542) 18.085 17.197 ( 4.195 0.000 1.381) 4.417 17.617 ( -5.139 0.000 -11.208) 12.330 18.663 ( 6.234 0.000 8.494) 10.536 18.687 ( 13.005 0.000 1.664) 13.111 18.945 ( 10.609 0.000 1.304) 10.689 19.098 ( 12.174 0.000 -2.220) 12.374 19.566 ( 14.798 0.000 5.690) 15.855 20.095 ( -13.102 0.000 -0.276) 13.105 20.528 ( -20.776 0.000 5.500) 21.492 20.843 ( -4.271 0.000 0.626) 4.316 21.105 ( -10.074 0.000 -4.797) 11.158 21.340 ( -4.288 0.000 -5.002) 6.589 ======================= Grid point 126 (27/63) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 23.006 0.000 1.510) 23.056 2.945 ( -15.179 0.000 -6.209) 16.400 3.319 ( 11.926 0.000 -0.541) 11.939 3.474 ( -1.328 0.000 -0.068) 1.330 3.851 ( 1.863 0.000 -3.984) 4.398 3.896 ( -4.138 0.000 -11.120) 11.865 4.236 ( 6.828 0.000 2.680) 7.335 4.295 ( 4.041 0.000 4.971) 6.406 4.711 ( 9.553 0.000 14.939) 17.733 4.849 ( -4.628 0.000 16.645) 17.276 5.454 ( 4.328 0.000 -0.595) 4.368 5.495 ( -0.598 0.000 -7.567) 7.591 5.640 ( 20.671 0.000 7.449) 21.972 6.070 ( -20.917 0.000 1.574) 20.976 6.267 ( 0.639 0.000 1.753) 1.866 6.359 ( -7.816 0.000 6.111) 9.921 6.905 ( 10.298 0.000 -9.144) 13.772 7.109 ( -10.063 0.000 -11.136) 15.009 7.334 ( 4.752 0.000 -18.912) 19.500 7.456 ( -7.491 0.000 -15.084) 16.841 7.965 ( -2.066 0.000 10.350) 10.554 7.979 ( -3.067 0.000 11.182) 11.595 8.401 ( 2.798 0.000 -0.208) 2.806 8.464 ( -3.167 0.000 -3.192) 4.497 8.695 ( 9.353 0.000 -0.630) 9.375 8.861 ( -7.687 0.000 -3.164) 8.313 9.039 ( 3.158 0.000 7.545) 8.179 9.071 ( -0.260 0.000 7.294) 7.298 10.074 ( 3.138 0.000 0.355) 3.158 10.118 ( -1.334 0.000 -0.514) 1.429 14.021 ( 5.577 0.000 3.044) 6.354 14.062 ( 1.814 0.000 3.195) 3.674 14.576 ( 9.292 0.000 -7.220) 11.767 14.700 ( -3.937 0.000 -6.652) 7.730 14.805 ( 4.455 0.000 2.494) 5.106 14.846 ( 2.435 0.000 -1.523) 2.872 15.451 ( 4.657 0.000 1.079) 4.781 15.464 ( 3.025 0.000 0.034) 3.026 15.840 ( -1.178 0.000 0.940) 1.507 15.921 ( -10.472 0.000 2.009) 10.663 16.064 ( -2.890 0.000 -2.483) 3.811 16.163 ( -12.468 0.000 -2.069) 12.639 17.313 ( 7.701 0.000 -0.657) 7.729 17.476 ( -8.709 0.000 -4.887) 9.987 18.777 ( 4.344 0.000 -5.641) 7.120 18.807 ( 1.343 0.000 -8.025) 8.137 19.218 ( 12.537 0.000 7.992) 14.868 19.263 ( 5.732 0.000 7.427) 9.382 19.880 ( 8.068 0.000 -1.964) 8.304 19.881 ( -5.771 0.000 2.230) 6.187 20.220 ( -1.916 0.000 12.515) 12.661 20.532 ( -22.170 0.000 6.885) 23.214 21.123 ( 6.104 0.000 -8.444) 10.420 21.243 ( -5.894 0.000 -7.143) 9.260 ======================= Grid point 133 (28/63) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 10.717 10.717 20.290) 25.326 1.168 ( 15.619 15.619 24.671) 33.115 2.156 ( 32.111 32.111 30.171) 54.521 2.390 ( 3.364 3.364 -22.178) 22.683 2.627 ( 14.828 14.828 -17.318) 27.196 2.940 ( 17.181 17.181 23.110) 33.533 4.110 ( -1.333 -1.333 11.385) 11.540 4.159 ( 0.879 0.879 13.943) 13.998 4.559 ( -1.726 -1.726 -3.025) 3.887 4.999 ( -1.038 -1.038 3.108) 3.438 5.125 ( 0.479 0.479 1.765) 1.890 5.290 ( 4.152 4.152 -28.961) 29.550 5.842 ( 0.659 0.659 -18.885) 18.908 6.311 ( -12.007 -12.007 -0.233) 16.982 6.481 ( 2.484 2.484 -10.046) 10.642 6.498 ( -1.018 -1.018 -16.051) 16.115 7.242 ( -4.083 -4.083 14.672) 15.767 7.494 ( -6.355 -6.355 6.221) 10.931 7.697 ( -1.353 -1.353 1.299) 2.313 7.872 ( -3.371 -3.371 2.391) 5.333 8.009 ( -0.352 -0.352 0.497) 0.703 8.121 ( 3.287 3.287 9.471) 10.551 8.345 ( 0.281 0.281 -1.229) 1.292 8.437 ( 2.304 2.304 1.865) 3.754 8.572 ( 1.330 1.330 -2.298) 2.970 8.691 ( 4.096 4.096 3.984) 7.031 9.004 ( -13.363 -13.363 1.261) 18.941 9.479 ( 2.855 2.855 -0.260) 4.046 9.671 ( -0.331 -0.331 -1.786) 1.846 9.884 ( 7.352 7.352 0.711) 10.421 13.235 ( 0.976 0.976 3.842) 4.082 13.448 ( 10.622 10.622 3.663) 15.462 13.974 ( 0.324 0.324 -14.806) 14.813 14.187 ( 8.541 8.541 -15.882) 19.953 14.753 ( -3.183 -3.183 1.337) 4.695 14.880 ( -0.102 -0.102 4.713) 4.715 15.115 ( 0.568 0.568 0.879) 1.190 15.336 ( 1.270 1.270 1.491) 2.334 15.829 ( 1.712 1.712 8.515) 8.852 16.588 ( -4.491 -4.491 -7.519) 9.842 17.058 ( -4.766 -4.766 -3.695) 7.687 17.094 ( 0.007 0.007 -9.071) 9.071 17.358 ( -7.684 -7.684 6.607) 12.718 17.585 ( 2.202 2.202 -4.366) 5.363 18.000 ( 0.928 0.928 22.794) 22.831 18.164 ( 7.065 7.065 15.495) 18.437 18.663 ( 2.465 2.465 4.721) 5.868 18.873 ( 1.061 1.061 -1.359) 2.025 19.379 ( 0.961 0.961 -9.320) 9.418 19.991 ( 9.808 9.808 -28.159) 31.389 21.003 ( -9.967 -9.967 7.352) 15.898 21.302 ( -2.898 -2.898 -4.295) 5.937 21.555 ( -0.206 -0.206 3.323) 3.336 21.768 ( -4.165 -4.165 -1.279) 6.027 ======================= Grid point 134 (29/63) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 26.364 0.216 10.575) 28.407 1.617 ( 30.482 -4.837 22.041) 37.925 2.529 ( 10.747 -1.894 -19.954) 22.743 2.711 ( 22.413 15.130 0.400) 27.045 3.042 ( 28.879 25.828 3.786) 38.928 3.376 ( 26.622 13.465 16.900) 34.288 4.047 ( -3.458 1.631 12.233) 12.817 4.228 ( 4.263 -3.782 8.044) 9.858 4.466 ( -7.680 -1.045 -0.753) 7.788 4.980 ( -0.829 -0.030 5.303) 5.368 5.105 ( -1.893 -1.324 6.950) 7.324 5.385 ( 5.037 4.175 -23.802) 24.685 5.863 ( -1.589 -4.850 -18.480) 19.171 6.065 ( -8.619 0.169 -7.842) 11.654 6.475 ( -2.302 -0.889 -10.065) 10.363 6.546 ( 3.828 2.812 -7.024) 8.480 7.138 ( -6.590 -3.274 8.259) 11.062 7.372 ( -6.918 -7.421 4.295) 11.017 7.601 ( -7.164 -1.546 -3.099) 7.958 7.828 ( -2.379 -3.404 0.333) 4.166 7.986 ( -0.966 0.339 4.686) 4.796 8.201 ( 3.609 0.935 7.321) 8.216 8.296 ( -3.865 -4.180 3.167) 6.515 8.482 ( 2.408 3.059 -0.473) 3.922 8.636 ( -1.195 -4.072 -3.358) 5.412 8.750 ( -2.760 -3.072 1.481) 4.388 8.797 ( 2.321 -0.279 5.618) 6.085 9.432 ( -5.577 10.098 -1.555) 11.640 9.750 ( 6.308 -6.351 0.505) 8.965 10.020 ( 6.474 6.303 0.271) 9.040 13.317 ( 7.336 -4.664 3.632) 9.421 13.672 ( 12.252 11.607 3.200) 17.178 14.012 ( 3.208 -2.807 -13.885) 14.525 14.373 ( 11.319 11.722 -11.621) 20.014 14.718 ( -0.446 -0.975 0.372) 1.135 14.839 ( -3.129 3.361 3.236) 5.617 15.154 ( 2.910 -3.675 1.119) 4.819 15.363 ( 1.645 3.180 2.593) 4.421 15.863 ( 1.044 -2.050 4.836) 5.355 16.463 ( -8.352 -5.789 -6.153) 11.880 16.904 ( -10.826 -4.566 -1.417) 11.835 17.086 ( -2.785 0.892 -6.919) 7.512 17.189 ( -8.204 -2.316 4.338) 9.565 17.642 ( 3.051 6.848 -7.358) 10.505 18.088 ( 8.595 -3.470 19.291) 21.402 18.338 ( 10.505 0.124 6.978) 12.612 18.678 ( -0.850 1.478 10.885) 11.018 18.927 ( 5.761 11.016 -0.452) 12.439 19.396 ( 0.752 1.319 -8.878) 9.007 20.173 ( 7.726 -3.195 -19.543) 21.256 20.791 ( -10.846 -13.196 8.741) 19.188 21.193 ( -8.368 -0.336 -3.295) 8.999 21.499 ( -6.330 -0.448 0.508) 6.367 21.664 ( -6.049 2.158 -0.980) 6.497 ======================= Grid point 135 (30/63) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 25.289 4.878 6.367) 26.531 2.268 ( 34.997 -16.186 12.321) 40.479 2.779 ( 14.961 -4.713 -17.024) 23.148 3.064 ( 15.903 4.113 -7.937) 18.243 3.586 ( 22.512 17.196 10.009) 30.045 3.853 ( 18.284 7.802 10.063) 22.281 4.016 ( 2.683 6.506 15.647) 17.157 4.235 ( -5.766 -1.563 0.132) 5.975 4.376 ( 3.718 1.310 -2.809) 4.841 4.964 ( -1.041 1.260 10.362) 10.490 5.105 ( 3.522 -0.428 12.146) 12.654 5.452 ( 1.119 3.208 -16.285) 16.635 5.682 ( -11.131 -1.094 -6.190) 12.783 6.099 ( 5.321 -4.646 -20.732) 21.903 6.409 ( -3.355 -1.667 -5.404) 6.575 6.607 ( 1.866 4.341 -1.319) 4.906 6.988 ( -9.049 0.209 4.493) 10.105 7.237 ( -6.296 -8.789 -1.909) 10.978 7.460 ( -7.236 -0.930 -10.046) 12.415 7.749 ( -5.812 -1.157 -3.230) 6.749 7.991 ( 0.855 -2.312 9.162) 9.488 8.117 ( -8.849 -7.454 3.148) 11.991 8.357 ( 6.432 0.735 8.978) 11.069 8.440 ( -10.070 -11.924 -2.278) 15.772 8.523 ( 1.282 2.246 -1.230) 2.864 8.828 ( 5.694 0.057 -1.805) 5.974 8.908 ( 6.371 3.800 6.368) 9.777 9.311 ( -6.698 9.741 -0.309) 11.826 9.872 ( 6.256 -3.845 1.368) 7.469 10.120 ( 3.840 5.042 -0.360) 6.348 13.501 ( 11.341 -8.382 3.241) 14.469 13.894 ( 10.316 9.446 2.896) 14.284 14.102 ( 6.594 -4.461 -11.094) 13.655 14.607 ( 12.317 12.324 -9.154) 19.682 14.729 ( 1.198 0.159 -0.359) 1.261 14.786 ( -2.119 2.856 1.965) 4.063 15.212 ( 3.116 -3.753 1.480) 5.098 15.409 ( 3.436 5.290 2.046) 6.632 15.847 ( -2.709 -7.266 2.555) 8.164 16.280 ( -10.340 -7.082 -4.723) 13.393 16.664 ( -13.840 2.692 0.056) 14.099 16.891 ( -14.332 5.799 0.083) 15.461 17.147 ( 1.138 -0.900 -1.588) 2.151 17.683 ( 0.550 3.948 -9.779) 10.560 18.279 ( 9.431 -6.952 15.699) 19.589 18.541 ( 10.566 -11.717 0.903) 15.804 18.712 ( 5.868 9.008 9.734) 14.503 19.084 ( 10.407 13.736 -0.643) 17.245 19.419 ( 2.299 0.852 -4.968) 5.540 20.200 ( -6.506 -7.031 -3.548) 10.215 20.680 ( 1.186 -11.434 1.227) 11.561 20.984 ( -13.336 4.407 -0.938) 14.077 21.307 ( -13.038 -4.274 -1.430) 13.795 21.552 ( -5.843 7.984 -1.802) 10.057 ======================= Grid point 136 (31/63) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 24.027 5.527 4.499) 25.062 2.854 ( 23.972 -10.846 -0.100) 26.312 3.058 ( 10.424 -4.355 -12.043) 16.512 3.324 ( 11.221 -3.169 -3.973) 12.318 3.721 ( -0.734 -6.112 14.764) 15.996 4.034 ( -4.434 4.359 -2.537) 6.716 4.097 ( 5.987 3.740 -0.387) 7.069 4.230 ( 8.318 8.600 5.714) 13.259 4.578 ( 12.881 6.771 3.654) 15.004 4.936 ( -2.145 2.654 14.086) 14.494 5.278 ( 14.060 2.253 10.574) 17.736 5.409 ( -3.118 -1.936 -2.197) 4.277 5.574 ( -1.003 3.629 -7.883) 8.737 6.073 ( -7.669 -13.828 -6.294) 17.019 6.422 ( 2.326 0.260 -9.809) 10.084 6.595 ( -3.429 8.561 1.347) 9.321 6.819 ( -6.029 1.473 3.054) 6.918 7.160 ( -2.133 -7.951 -8.432) 11.784 7.333 ( -5.327 -0.315 -16.765) 17.593 7.617 ( -7.761 0.742 -6.657) 10.251 7.944 ( -7.569 -8.973 5.619) 13.015 7.965 ( -5.204 -8.288 9.425) 13.587 8.306 ( -0.587 -8.352 0.793) 8.410 8.501 ( 1.705 -0.297 -1.471) 2.272 8.555 ( 6.227 2.624 3.263) 7.504 8.908 ( 1.863 -1.103 -3.231) 3.889 9.016 ( 4.606 3.538 6.498) 8.715 9.190 ( -5.387 8.845 3.919) 11.073 9.986 ( 5.558 -1.161 0.954) 5.758 10.163 ( 0.619 3.927 -0.635) 4.026 13.729 ( 11.966 -9.145 2.939) 15.344 14.044 ( 4.722 4.454 3.062) 7.177 14.271 ( 10.974 -6.525 -9.127) 15.694 14.744 ( 0.012 -0.328 -1.121) 1.168 14.756 ( 0.177 2.340 -1.711) 2.904 14.808 ( 6.269 6.577 -4.453) 10.118 15.280 ( 4.171 -2.778 1.620) 5.267 15.484 ( 3.204 4.969 1.350) 6.065 15.789 ( -1.514 -6.449 1.771) 6.857 16.101 ( -6.909 -4.096 -3.940) 8.946 16.386 ( -14.898 10.729 1.731) 18.440 16.599 ( -15.681 9.919 -1.092) 18.587 17.200 ( 4.549 0.131 -0.828) 4.626 17.634 ( -5.797 1.582 -8.963) 10.791 18.457 ( 10.540 -11.593 13.917) 20.956 18.734 ( 8.371 -8.940 -1.538) 12.344 18.843 ( 6.039 1.371 -4.572) 7.698 19.289 ( 6.775 9.099 5.795) 12.739 19.527 ( 11.568 -0.462 -4.625) 12.467 20.038 ( -5.297 -3.114 10.442) 12.116 20.671 ( -15.272 11.027 0.167) 18.838 20.742 ( -5.340 -7.915 0.541) 9.564 21.072 ( -6.815 -2.661 -4.823) 8.763 21.432 ( -6.867 7.039 -3.812) 10.546 ======================= Grid point 137 (32/63) ======================= q-point: ( 0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 21.945 4.058 1.682) 22.380 2.966 ( -14.368 2.053 -5.424) 15.494 3.238 ( 14.216 -7.908 0.056) 16.268 3.426 ( -3.336 -5.173 0.215) 6.159 3.829 ( 8.770 -3.569 2.013) 9.680 3.937 ( -4.256 3.817 -9.352) 10.961 4.193 ( 7.276 -2.289 -2.674) 8.083 4.319 ( -2.255 0.847 3.372) 4.144 4.761 ( 6.755 5.384 13.882) 16.350 4.872 ( -4.755 2.598 16.474) 17.343 5.407 ( 3.085 -5.389 -2.863) 6.837 5.466 ( -0.707 -0.678 -4.007) 4.125 5.684 ( 14.618 2.613 8.337) 17.030 5.912 ( -8.538 -9.332 3.805) 13.209 6.393 ( -2.458 4.112 -1.588) 5.047 6.454 ( -8.756 12.278 -0.649) 15.094 6.875 ( 9.482 -2.973 -7.364) 12.368 7.066 ( -8.725 -4.420 -9.803) 13.848 7.327 ( 4.867 -0.789 -16.809) 17.517 7.461 ( -8.174 0.508 -11.442) 14.071 7.842 ( -2.326 -11.120 7.271) 13.488 7.861 ( -4.111 -11.090 8.128) 14.351 8.364 ( 4.922 -3.682 0.020) 6.147 8.457 ( -4.217 -1.044 -1.658) 4.650 8.723 ( 8.989 1.509 1.269) 9.203 8.870 ( -5.657 -0.175 -2.683) 6.264 9.084 ( 2.610 4.164 6.861) 8.439 9.123 ( -1.973 5.963 6.928) 9.351 10.081 ( 4.335 1.033 0.156) 4.459 10.146 ( -2.271 2.683 -0.453) 3.544 13.937 ( 9.149 -6.865 2.914) 11.804 14.059 ( -3.134 -2.002 3.096) 4.839 14.502 ( 12.136 -6.620 -8.665) 16.316 14.688 ( -6.268 -1.997 -6.858) 9.503 14.788 ( 2.842 -0.173 1.511) 3.223 14.845 ( -2.011 -1.444 -0.317) 2.496 15.370 ( 5.339 -4.223 1.220) 6.916 15.475 ( -4.307 -2.813 0.500) 5.168 15.858 ( 8.812 5.991 1.649) 10.783 16.059 ( -3.983 9.786 -1.873) 10.730 16.132 ( -3.982 9.836 0.903) 10.650 16.310 ( -13.920 11.514 -2.029) 18.178 17.320 ( 7.797 0.499 -1.750) 8.007 17.485 ( -8.892 0.737 -4.666) 10.069 18.671 ( 10.190 -9.640 3.675) 14.500 18.796 ( -2.308 -2.534 -7.215) 7.988 18.984 ( 10.146 -12.709 0.110) 16.263 19.213 ( -11.624 -11.732 5.684) 17.466 19.884 ( 22.265 11.576 -0.519) 25.100 20.124 ( 12.776 5.217 10.301) 17.220 20.312 ( -19.841 13.814 4.047) 24.513 20.473 ( -19.261 -5.468 3.871) 20.392 21.127 ( 7.963 0.598 -6.987) 10.611 21.287 ( -8.179 3.982 -5.722) 10.747 ======================= Grid point 145 (33/63) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 13.854 13.854 13.305) 23.683 1.768 ( 16.441 16.441 21.991) 32.003 2.550 ( 4.508 4.508 -17.964) 19.061 2.957 ( 11.664 11.664 -9.878) 19.226 3.563 ( 22.776 22.776 4.922) 32.584 3.721 ( 21.171 21.171 13.288) 32.756 4.074 ( 1.981 1.981 13.921) 14.201 4.195 ( 1.361 1.361 7.304) 7.554 4.407 ( -4.480 -4.480 -3.200) 7.098 4.988 ( 0.954 0.954 6.857) 6.989 5.072 ( -1.293 -1.293 9.486) 9.661 5.494 ( 6.360 6.360 -21.156) 22.988 5.765 ( -5.708 -5.708 -12.324) 14.732 6.029 ( -3.337 -3.337 -13.471) 14.274 6.429 ( -4.123 -4.123 -3.199) 6.651 6.623 ( 4.838 4.838 -5.321) 8.668 7.038 ( -6.188 -6.188 2.479) 9.096 7.262 ( -5.272 -5.272 5.683) 9.375 7.503 ( -6.622 -6.622 -8.892) 12.914 7.785 ( -1.918 -1.918 0.023) 2.712 7.953 ( -2.978 -2.978 4.177) 5.932 8.164 ( -7.923 -7.923 3.590) 11.766 8.263 ( 3.961 3.961 7.342) 9.235 8.418 ( -14.798 -14.798 -1.560) 20.985 8.538 ( 2.240 2.240 2.697) 4.160 8.763 ( 4.501 4.501 -4.952) 8.065 8.887 ( 5.808 5.808 5.959) 10.148 9.612 ( -2.517 -2.517 1.671) 3.932 9.639 ( 5.634 5.634 -0.173) 7.970 10.136 ( 5.518 5.518 -0.102) 7.804 13.289 ( 1.810 1.810 3.600) 4.417 13.886 ( 10.211 10.211 2.859) 14.721 13.996 ( 0.866 0.866 -14.511) 14.562 14.618 ( 13.350 13.350 -8.482) 20.698 14.718 ( 0.776 0.776 -0.663) 1.282 14.878 ( 0.088 0.088 4.429) 4.431 15.109 ( -0.226 -0.226 -0.388) 0.502 15.430 ( 4.080 4.080 2.855) 6.438 15.795 ( -4.987 -4.987 3.050) 7.684 16.310 ( -9.501 -9.501 -4.533) 14.181 16.823 ( -3.901 -3.901 -1.761) 5.791 17.096 ( 0.111 0.111 -9.246) 9.248 17.121 ( -4.697 -4.697 4.116) 7.814 17.776 ( 4.821 4.821 -5.812) 8.959 18.043 ( 1.170 1.170 23.392) 23.451 18.340 ( -0.532 -0.532 -4.280) 4.346 18.755 ( 5.829 5.829 11.329) 14.011 19.126 ( 10.093 10.093 0.247) 14.275 19.427 ( 1.419 1.419 -9.721) 9.926 20.154 ( 0.048 0.048 -6.336) 6.336 20.535 ( -10.701 -10.701 7.709) 16.984 21.144 ( -5.142 -5.142 -6.923) 10.040 21.417 ( -7.072 -7.072 2.027) 10.205 21.702 ( 0.432 0.432 -2.055) 2.144 ======================= Grid point 146 (34/63) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 29.017 -1.690 6.297) 29.740 2.156 ( 23.366 6.838 19.522) 31.206 2.702 ( 11.184 -2.806 -14.252) 18.333 3.158 ( 8.756 5.152 -8.624) 13.326 3.743 ( -2.623 -0.020 6.231) 6.761 4.057 ( 9.662 7.813 3.209) 12.834 4.174 ( 2.129 5.846 9.066) 10.995 4.270 ( 6.928 9.920 4.733) 12.993 4.427 ( 12.905 5.387 -0.995) 14.019 5.012 ( 1.272 3.910 10.224) 11.019 5.111 ( 6.433 1.884 8.898) 11.141 5.552 ( -3.774 6.261 -8.794) 11.436 5.668 ( -1.705 0.167 -9.286) 9.443 5.946 ( -5.730 -10.994 -13.108) 18.042 6.347 ( -2.574 -4.857 -2.003) 5.851 6.709 ( 3.295 5.624 -0.026) 6.518 6.939 ( -3.357 -6.118 -2.660) 7.468 7.131 ( -8.202 -1.511 1.738) 8.519 7.388 ( -5.586 -5.478 -16.397) 18.168 7.732 ( -3.973 -0.321 -0.440) 4.010 7.888 ( -5.162 -9.199 4.309) 11.394 7.987 ( -9.319 -5.353 6.289) 12.452 8.158 ( -10.114 -15.377 -1.617) 18.476 8.370 ( 6.767 0.331 5.088) 8.472 8.563 ( 0.423 1.300 4.429) 4.635 8.853 ( 3.954 2.006 -7.638) 8.832 9.001 ( 5.926 5.707 5.560) 9.929 9.479 ( -7.244 6.057 4.126) 10.304 9.820 ( 9.287 -0.247 0.643) 9.313 10.220 ( 3.089 5.022 -0.559) 5.923 13.382 ( 7.623 -3.655 3.368) 9.100 14.041 ( 4.539 2.265 -3.961) 6.436 14.044 ( 5.180 1.646 -6.705) 8.631 14.734 ( 0.806 0.539 -0.743) 1.221 14.834 ( 4.614 7.388 -6.958) 11.148 14.852 ( 0.491 4.999 2.000) 5.406 15.156 ( 4.813 -1.120 0.955) 5.033 15.513 ( 3.318 4.281 2.266) 5.871 15.701 ( -2.680 -5.764 2.668) 6.894 16.140 ( -6.851 -5.709 -3.931) 9.746 16.739 ( -5.441 4.216 -1.583) 7.063 16.984 ( -8.753 3.458 1.029) 9.467 17.123 ( 2.160 -1.493 -6.544) 7.051 17.778 ( -3.461 5.067 -3.379) 7.005 18.145 ( 6.179 -6.546 20.295) 22.202 18.359 ( 5.274 -6.685 -0.928) 8.565 18.851 ( 2.688 3.880 -2.848) 5.513 19.332 ( 10.176 11.737 4.255) 16.106 19.448 ( 2.006 2.620 -9.525) 10.081 20.059 ( -8.089 -7.669 11.181) 15.788 20.516 ( 7.003 -3.442 -1.296) 7.910 21.003 ( -8.854 -3.349 -8.312) 12.598 21.245 ( -10.883 -1.907 3.385) 11.555 21.665 ( -4.251 3.299 -2.743) 6.039 ======================= Grid point 147 (35/63) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 25.908 1.890 1.557) 26.024 2.640 ( 25.641 -5.982 12.184) 29.012 2.963 ( 14.820 -6.857 -9.244) 18.764 3.257 ( 1.236 -2.903 -4.162) 5.222 3.623 ( -6.819 -5.047 12.374) 15.003 4.101 ( -3.581 2.593 -5.143) 6.782 4.151 ( 1.333 2.030 -5.377) 5.900 4.402 ( 1.626 7.727 3.956) 8.832 4.746 ( 15.591 9.760 7.051) 19.699 5.015 ( -1.926 5.157 12.727) 13.866 5.262 ( 4.056 -0.953 -4.451) 6.097 5.464 ( 1.167 3.002 12.831) 13.229 5.629 ( -4.005 1.734 -5.641) 7.132 5.849 ( -1.807 -5.217 -4.302) 6.999 6.369 ( 3.810 -5.299 -10.170) 12.084 6.727 ( 0.051 2.912 2.585) 3.894 6.890 ( -6.303 5.893 -5.741) 10.364 7.002 ( -2.190 -7.405 -2.651) 8.165 7.288 ( -3.884 -3.915 -18.663) 19.460 7.633 ( -6.321 1.071 -1.434) 6.569 7.718 ( -9.744 -13.675 3.226) 17.099 7.789 ( -11.423 -9.593 5.964) 16.065 8.130 ( 5.356 -9.126 0.260) 10.585 8.480 ( 1.561 -2.010 1.004) 2.736 8.579 ( 3.861 -0.502 6.019) 7.168 8.892 ( -0.253 -1.011 -8.843) 8.904 9.107 ( 5.018 5.913 5.459) 9.484 9.352 ( -5.788 6.924 7.870) 11.975 9.986 ( 7.986 1.717 0.402) 8.178 10.249 ( -0.173 4.698 -0.712) 4.755 13.566 ( 11.120 -7.402 3.077) 13.708 14.078 ( -1.732 -1.102 2.472) 3.213 14.165 ( 8.398 -4.292 -11.411) 14.804 14.736 ( -1.739 -0.854 -2.309) 3.014 14.802 ( -1.441 2.519 -0.128) 2.905 14.872 ( -3.240 -0.803 -4.421) 5.539 15.244 ( 3.188 -1.860 2.656) 4.547 15.500 ( -3.979 -3.215 -0.098) 5.117 15.788 ( 11.144 7.376 3.276) 13.759 16.113 ( 4.850 6.219 -3.455) 8.610 16.596 ( -9.836 10.186 -0.582) 14.172 16.785 ( -11.770 9.001 -0.111) 14.818 17.191 ( 5.083 -1.298 -5.180) 7.372 17.664 ( -8.162 0.955 -4.516) 9.377 18.258 ( 7.557 -8.843 17.752) 21.224 18.551 ( 12.568 -8.078 0.787) 14.961 18.829 ( -4.881 -4.412 -7.350) 9.865 19.289 ( -10.990 -2.583 -0.331) 11.294 19.675 ( 17.108 8.367 -1.253) 19.085 20.024 ( 6.321 3.248 11.672) 13.665 20.581 ( -5.780 -7.543 -2.323) 9.783 20.882 ( -4.193 8.731 -2.815) 10.087 21.033 ( -6.421 -0.169 0.091) 6.424 21.546 ( -7.982 4.230 -3.257) 9.603 ======================= Grid point 148 (36/63) ======================= q-point: ( 0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 20.000 4.477 0.920) 20.515 3.006 ( -8.937 0.692 -4.644) 10.095 3.057 ( 13.975 -8.568 3.525) 16.767 3.278 ( -4.568 -10.028 0.190) 11.020 3.672 ( 17.301 -12.209 11.846) 24.263 3.996 ( -9.936 0.056 -0.921) 9.979 4.194 ( 3.157 1.950 -9.677) 10.364 4.306 ( -8.930 -1.640 -4.491) 10.130 4.914 ( 2.190 9.156 13.412) 16.387 4.958 ( -2.903 7.666 14.129) 16.335 5.295 ( 6.051 -5.376 -1.569) 8.245 5.461 ( -8.271 -0.230 -1.932) 8.497 5.686 ( 11.667 -1.338 6.822) 13.582 5.848 ( -2.732 3.481 3.616) 5.715 6.466 ( 7.780 2.557 -11.220) 13.891 6.679 ( -12.482 9.862 -8.310) 17.947 6.802 ( 7.008 -4.334 -3.084) 8.798 6.950 ( -6.283 -7.213 -6.548) 11.592 7.305 ( 6.206 -1.398 -9.786) 11.672 7.473 ( -9.884 0.305 -2.819) 10.283 7.598 ( -2.621 -12.536 2.750) 13.099 7.618 ( -5.099 -12.995 3.547) 14.403 8.271 ( 8.183 -5.705 0.684) 9.998 8.415 ( -6.310 -3.361 1.083) 7.230 8.711 ( 7.668 -2.861 0.733) 8.217 8.838 ( -5.145 -3.142 -5.428) 8.112 9.192 ( 3.858 6.649 6.510) 10.073 9.262 ( -3.819 7.323 8.446) 11.813 10.122 ( 6.089 3.265 -0.094) 6.910 10.214 ( -3.426 4.212 -0.525) 5.455 13.787 ( 11.363 -8.333 2.894) 14.385 13.979 ( -8.148 -6.120 2.816) 10.572 14.364 ( 12.018 -7.198 -10.491) 17.502 14.600 ( -11.563 -7.056 -9.280) 16.419 14.801 ( 0.679 1.183 1.292) 1.879 14.818 ( -1.387 -0.406 1.884) 2.375 15.302 ( 3.793 -2.812 1.563) 4.974 15.397 ( -5.828 -4.151 -0.128) 7.156 16.063 ( 15.982 13.973 2.077) 21.330 16.285 ( 9.717 13.343 -2.705) 16.726 16.369 ( -11.799 13.134 1.120) 17.691 16.543 ( -13.187 12.305 -1.407) 18.091 17.318 ( 8.005 -1.202 -4.404) 9.215 17.489 ( -9.555 -0.849 -4.357) 10.535 18.449 ( 11.868 -11.924 12.987) 21.253 18.675 ( -10.522 -11.998 2.421) 16.141 18.795 ( 12.368 -4.676 -2.382) 13.436 19.040 ( -13.365 -3.826 -2.091) 14.059 20.007 ( 17.017 -2.789 -0.801) 17.263 20.237 ( 7.919 5.594 2.738) 10.075 20.373 ( -6.686 0.853 2.097) 7.058 20.629 ( -17.592 15.869 4.461) 24.108 21.151 ( 11.350 2.018 -4.300) 12.304 21.367 ( -10.619 3.757 -3.767) 11.877 ======================= Grid point 157 (37/63) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 13.821 13.821 8.584) 21.348 2.400 ( 15.884 15.884 16.603) 27.934 2.696 ( 2.694 2.694 -10.640) 11.302 3.229 ( 1.407 1.407 -5.668) 6.007 3.670 ( -6.584 -6.584 8.490) 12.601 4.100 ( 0.014 0.014 -5.970) 5.970 4.203 ( -0.532 -0.532 -0.075) 0.757 4.526 ( 5.111 5.111 -2.576) 7.673 4.603 ( 17.191 17.191 13.130) 27.631 5.116 ( 6.658 6.658 8.010) 12.362 5.165 ( 1.558 1.558 6.729) 7.081 5.564 ( -6.329 -6.329 1.860) 9.142 5.759 ( -3.286 -3.286 -6.233) 7.775 5.759 ( 7.238 7.238 -12.656) 16.277 6.243 ( -4.773 -4.773 -1.888) 7.010 6.760 ( -3.007 -3.007 2.804) 5.094 6.850 ( 0.073 0.073 -1.760) 1.763 7.115 ( -1.143 -1.143 -3.373) 3.741 7.274 ( -6.252 -6.252 -22.424) 24.104 7.674 ( -11.999 -11.999 1.204) 17.012 7.754 ( 1.367 1.367 1.555) 2.481 7.835 ( -12.873 -12.873 6.015) 19.174 7.927 ( -5.082 -5.082 1.973) 7.453 8.395 ( 2.302 2.302 1.988) 3.814 8.562 ( -1.355 -1.355 8.204) 8.424 8.882 ( 0.469 0.469 -12.246) 12.264 9.117 ( 6.100 6.100 4.525) 9.741 9.503 ( -2.574 -2.574 8.939) 9.652 9.899 ( 7.642 7.642 -0.114) 10.808 10.300 ( 3.075 3.075 -0.856) 4.432 13.368 ( 2.192 2.192 3.339) 4.557 14.040 ( 1.405 1.405 -14.173) 14.312 14.090 ( -0.841 -0.841 3.067) 3.290 14.742 ( -0.079 -0.079 -1.425) 1.429 14.883 ( -3.358 -3.358 -9.099) 10.264 14.889 ( 0.473 0.473 4.249) 4.302 15.176 ( 1.342 1.342 2.104) 2.834 15.504 ( -3.695 -3.695 -0.427) 5.243 15.747 ( 10.193 10.193 4.421) 15.077 16.128 ( 5.152 5.152 -3.454) 8.063 16.794 ( 0.796 0.796 -2.681) 2.908 17.011 ( -1.179 -1.179 2.478) 2.987 17.104 ( 0.325 0.325 -9.378) 9.389 17.797 ( -4.930 -4.930 -2.642) 7.455 18.081 ( 0.766 0.766 23.736) 23.760 18.313 ( 2.910 2.910 -1.596) 4.414 18.836 ( -5.080 -5.080 -7.031) 10.052 19.477 ( 1.136 1.136 -9.928) 10.057 19.515 ( 3.310 3.310 8.026) 9.291 19.989 ( 4.735 4.735 10.752) 12.666 20.528 ( 0.995 0.995 -2.301) 2.697 20.912 ( -2.757 -2.757 -7.289) 8.266 21.203 ( -3.512 -3.512 4.181) 6.492 21.673 ( -2.305 -2.305 -3.064) 4.473 ======================= Grid point 158 (38/63) ======================= q-point: ( 0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 25.911 -2.155 3.860) 26.285 2.706 ( 14.601 9.054 11.460) 20.651 2.825 ( 11.743 -5.869 -3.067) 13.481 3.189 ( -5.808 -5.320 -2.345) 8.218 3.515 ( -8.865 -6.048 10.669) 15.132 4.110 ( 0.386 -1.428 -10.196) 10.303 4.179 ( -2.694 -0.504 0.363) 2.765 4.471 ( -10.326 -2.143 -6.467) 12.371 4.912 ( 12.749 7.263 17.402) 22.762 5.096 ( -1.464 2.445 7.927) 8.424 5.304 ( 3.903 6.648 -2.277) 8.038 5.436 ( 1.747 -1.589 7.707) 8.061 5.717 ( -6.261 8.936 -5.108) 12.048 5.935 ( 10.002 9.616 -1.909) 14.005 6.239 ( 5.497 -7.300 -9.001) 12.827 6.685 ( -2.744 -6.360 -1.092) 7.012 6.855 ( -0.841 -5.433 1.357) 5.663 7.040 ( -9.270 4.165 -13.546) 16.935 7.200 ( 0.466 -4.454 -12.594) 13.367 7.461 ( -8.671 -11.673 0.679) 14.557 7.569 ( -12.766 -11.117 3.738) 17.336 7.709 ( -6.773 4.924 3.911) 9.241 7.974 ( 8.297 -7.100 1.276) 10.994 8.429 ( -0.989 -3.220 2.587) 4.247 8.541 ( 1.233 -2.990 5.258) 6.173 8.853 ( -3.702 -3.467 -13.535) 14.454 9.227 ( 5.300 6.229 4.960) 9.566 9.438 ( -3.343 2.348 11.171) 11.895 10.060 ( 8.355 5.788 -0.007) 10.164 10.331 ( -0.003 3.584 -0.881) 3.691 13.462 ( 7.333 -3.260 3.182) 8.633 14.010 ( -6.978 -5.878 2.628) 9.495 14.103 ( 5.089 -2.055 -13.061) 14.167 14.664 ( -9.643 -7.801 -8.645) 15.119 14.816 ( -0.843 -0.355 -1.258) 1.555 14.877 ( -1.631 2.447 3.805) 4.809 15.204 ( 2.280 -1.680 2.426) 3.729 15.417 ( -4.912 -4.552 -1.142) 6.794 16.024 ( 17.014 15.636 2.761) 23.272 16.304 ( 11.872 12.384 -2.562) 17.345 16.754 ( -5.087 5.947 -2.934) 8.358 16.932 ( -6.724 6.117 1.023) 9.148 17.152 ( 4.466 -2.513 -7.800) 9.333 17.635 ( -10.291 -4.679 -3.024) 11.702 18.133 ( 4.399 -3.974 21.950) 22.736 18.454 ( 8.818 -2.319 -2.625) 9.489 18.701 ( -6.599 -6.658 2.455) 9.691 19.314 ( -12.856 5.002 -1.802) 13.912 19.663 ( 10.002 -7.584 -2.313) 12.763 20.201 ( 11.455 10.416 2.124) 15.627 20.449 ( -5.914 -4.545 -2.087) 7.745 20.991 ( 9.513 4.251 -2.615) 10.743 21.091 ( -8.243 4.521 4.107) 10.259 21.584 ( -6.813 -0.244 -2.944) 7.426 ======================= Grid point 159 (39/63) ======================= q-point: ( 0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 21.103 -6.602 -1.314) 22.151 2.931 ( 6.730 -2.400 0.431) 7.158 3.022 ( -7.926 -4.517 1.911) 9.320 3.076 ( 4.857 -6.837 1.364) 8.497 3.438 ( 9.050 -10.002 16.981) 21.686 3.857 ( -25.082 -14.040 10.284) 30.528 4.210 ( 4.796 -1.437 -13.664) 14.552 4.304 ( -5.225 0.998 -12.385) 13.479 5.052 ( 4.989 6.127 17.427) 19.134 5.178 ( -7.513 9.094 11.162) 16.239 5.237 ( 12.070 3.314 0.868) 12.547 5.493 ( -12.573 5.969 -1.254) 13.974 5.727 ( 16.239 5.977 0.716) 17.319 5.981 ( -7.364 9.303 0.726) 11.887 6.454 ( 15.757 -3.909 -15.331) 22.330 6.689 ( 0.928 -6.356 -5.057) 8.176 6.791 ( -9.882 -3.242 -10.719) 14.936 6.823 ( -6.272 -3.008 -5.340) 8.769 7.225 ( 2.366 -9.968 1.808) 10.403 7.336 ( -8.448 -11.760 4.442) 15.145 7.439 ( 3.430 -0.699 -1.928) 3.997 7.563 ( -7.809 5.345 0.479) 9.475 8.159 ( 10.033 -5.563 1.598) 11.583 8.333 ( -7.705 -4.877 3.964) 9.944 8.625 ( 6.186 -5.724 -2.672) 8.842 8.751 ( -6.447 -6.030 -9.166) 12.726 9.316 ( 3.934 5.931 6.959) 9.954 9.380 ( -2.966 4.893 9.754) 11.309 10.203 ( 6.390 5.027 -0.234) 8.134 10.298 ( -3.395 4.319 -0.616) 5.528 13.635 ( 10.355 -7.119 3.035) 12.927 13.838 ( -10.350 -8.193 2.930) 13.521 14.240 ( 9.097 -5.552 -12.236) 16.227 14.444 ( -11.845 -8.603 -11.081) 18.361 14.821 ( 0.832 1.312 1.821) 2.394 14.844 ( -1.564 2.529 2.970) 4.203 15.261 ( 3.419 -1.688 1.118) 3.974 15.331 ( -3.993 -2.789 -0.207) 4.875 16.344 ( 15.587 14.546 0.552) 21.327 16.543 ( 12.409 13.113 -1.390) 18.107 16.600 ( -10.791 10.567 -1.637) 15.192 16.765 ( -10.426 10.576 -0.015) 14.851 17.268 ( 7.586 -3.780 -6.658) 10.778 17.438 ( -9.907 -4.588 -5.016) 12.014 18.254 ( 8.091 -8.164 18.231) 21.551 18.427 ( -9.079 -11.808 9.383) 17.604 18.787 ( 12.911 3.206 -0.081) 13.304 19.052 ( -14.093 4.398 -2.797) 15.026 19.881 ( 12.528 -9.037 -5.461) 16.385 20.129 ( -12.622 -9.857 -7.738) 17.787 20.598 ( 15.385 14.111 5.938) 21.705 20.879 ( -13.171 9.795 4.303) 16.969 21.210 ( 11.729 4.224 -1.949) 12.617 21.421 ( -10.032 1.881 -2.539) 10.518 ======================= Grid point 169 (40/63) ======================= q-point: ( 0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 10.256 10.256 4.011) 15.049 2.751 ( 0.759 0.759 -1.428) 1.787 2.901 ( 5.949 5.949 7.376) 11.189 3.055 ( -5.946 -5.946 3.825) 9.237 3.402 ( -5.695 -5.695 10.760) 13.440 3.991 ( -19.897 -19.897 10.336) 29.978 4.094 ( 0.387 0.387 -15.919) 15.928 4.381 ( -4.220 -4.220 -12.197) 13.579 5.045 ( 6.549 6.549 23.270) 25.045 5.167 ( 5.145 5.145 -1.677) 7.467 5.379 ( -0.010 -0.010 15.021) 15.021 5.565 ( 15.053 15.053 -1.956) 21.378 5.917 ( 1.405 1.405 -14.598) 14.733 6.030 ( 6.763 6.763 -5.050) 10.816 6.223 ( 6.442 6.442 0.032) 9.110 6.545 ( -6.746 -6.746 -4.331) 10.477 6.757 ( -4.343 -4.343 0.844) 6.200 6.963 ( -10.210 -10.210 -20.237) 24.861 7.105 ( -7.930 -7.930 0.747) 11.239 7.320 ( -11.779 -11.779 6.172) 17.764 7.402 ( 3.987 3.987 -2.595) 6.207 7.814 ( -1.734 -1.734 1.926) 3.119 7.894 ( 5.269 5.269 2.109) 7.745 8.355 ( -4.689 -4.689 6.082) 8.998 8.490 ( -1.489 -1.489 -0.115) 2.109 8.753 ( -6.842 -6.842 -14.521) 17.450 9.335 ( 4.902 4.902 5.727) 8.992 9.459 ( 0.197 0.197 11.494) 11.498 10.185 ( 6.730 6.730 -0.086) 9.518 10.377 ( 1.091 1.091 -0.865) 1.769 13.447 ( 1.819 1.819 3.185) 4.095 13.861 ( -9.137 -9.137 3.176) 13.306 14.096 ( 1.395 1.395 -13.936) 14.075 14.477 ( -10.490 -10.490 -11.218) 18.599 14.826 ( 1.210 1.210 1.515) 2.285 14.912 ( 0.633 0.633 4.277) 4.370 15.195 ( 0.899 0.899 1.032) 1.637 15.341 ( -3.347 -3.347 -0.750) 4.792 16.332 ( 15.544 15.544 0.378) 21.986 16.550 ( 12.676 12.676 -1.287) 17.973 16.813 ( 0.150 0.150 -4.338) 4.343 17.006 ( 0.507 0.507 2.745) 2.837 17.119 ( 0.391 0.391 -9.418) 9.434 17.496 ( -8.920 -8.920 -4.433) 13.371 18.099 ( 0.213 0.213 23.670) 23.672 18.382 ( -6.658 -6.658 4.457) 10.418 18.695 ( 7.236 7.236 4.774) 11.292 19.411 ( -3.539 -3.539 1.163) 5.138 19.510 ( 0.594 0.594 -9.838) 9.873 20.154 ( -10.947 -10.947 -10.311) 18.601 20.586 ( 13.708 13.708 6.148) 20.337 21.056 ( 0.954 0.954 -1.258) 1.845 21.176 ( 5.374 5.374 3.774) 8.486 21.542 ( -3.961 -3.961 -2.383) 6.088 ======================= Grid point 170 (41/63) ======================= q-point: ( 0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 14.245 -5.682 -0.096) 15.337 2.786 ( -11.329 -11.269 -1.286) 16.031 2.873 ( 12.155 -6.370 1.986) 13.866 3.078 ( -2.126 0.150 4.052) 4.578 3.327 ( 1.450 -2.302 17.483) 17.693 3.555 ( -20.868 -14.358 17.265) 30.654 4.155 ( 5.680 -3.291 -18.087) 19.241 4.283 ( -6.599 -3.747 -16.347) 18.023 5.146 ( 4.055 4.062 23.550) 24.239 5.204 ( -1.712 0.724 15.607) 15.718 5.485 ( 11.097 15.326 0.806) 18.939 5.723 ( -11.939 15.907 -8.789) 21.745 5.890 ( 15.835 10.295 -2.992) 19.123 6.176 ( -11.555 10.349 -2.566) 15.723 6.339 ( 17.396 -7.116 -10.710) 21.632 6.549 ( 4.974 -8.057 -6.347) 11.400 6.667 ( -7.505 -6.576 -5.208) 11.256 6.738 ( -10.003 -7.917 -10.850) 16.747 6.993 ( -0.890 -12.143 4.277) 12.905 7.095 ( -10.002 -12.672 5.901) 17.188 7.544 ( 8.436 8.470 -1.595) 12.061 7.698 ( -7.479 7.502 0.410) 10.601 8.077 ( 9.993 -2.389 2.705) 10.625 8.243 ( -7.193 -4.258 6.028) 10.306 8.505 ( 3.225 -6.424 -5.604) 9.114 8.610 ( -7.258 -8.397 -11.170) 15.747 9.411 ( 2.994 3.955 7.435) 8.937 9.450 ( -1.182 2.530 9.654) 10.049 10.300 ( 4.972 4.744 -0.293) 6.878 10.368 ( -2.036 2.786 -0.625) 3.507 13.528 ( 6.405 -3.785 3.140) 8.076 13.681 ( -9.179 -7.836 3.153) 12.474 14.158 ( 5.114 -2.807 -13.462) 14.672 14.290 ( -8.569 -7.088 -12.503) 16.733 14.858 ( 2.071 2.501 2.741) 4.249 14.898 ( -1.776 2.741 3.770) 4.988 15.232 ( 2.586 -1.334 0.308) 2.926 15.284 ( -2.768 -2.268 -0.116) 3.580 16.593 ( 11.294 10.979 -2.437) 15.938 16.750 ( -1.928 6.348 -3.410) 7.459 16.782 ( 6.540 10.145 -0.554) 12.083 16.939 ( -6.463 7.361 1.299) 9.882 17.187 ( 5.816 -4.305 -7.562) 10.466 17.325 ( -8.427 -6.612 -6.225) 12.389 18.139 ( 3.883 -3.914 22.022) 22.701 18.243 ( -6.801 -7.473 16.348) 19.219 18.911 ( 13.745 9.433 -0.123) 16.671 19.185 ( -14.194 8.701 -2.516) 16.838 19.684 ( 11.638 -11.082 -8.197) 18.040 19.920 ( -12.712 -11.785 -9.753) 19.890 20.832 ( 11.269 9.912 3.961) 15.522 21.002 ( -6.225 3.437 1.635) 7.296 21.305 ( 7.423 5.170 0.614) 9.067 21.440 ( -6.446 0.247 -1.306) 6.581 ======================= Grid point 181 (42/63) ======================= q-point: ( 0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 1.438 1.438 -0.305) 2.056 2.594 ( -7.928 -7.928 -0.643) 11.231 2.825 ( 2.561 2.561 4.865) 6.065 2.964 ( -10.133 -10.133 3.003) 14.641 3.333 ( 2.409 2.409 18.728) 19.035 3.391 ( -4.004 -4.004 19.019) 19.844 4.123 ( 0.682 0.682 -20.244) 20.267 4.185 ( -5.243 -5.243 -19.727) 21.075 5.209 ( 2.216 2.216 26.078) 26.266 5.223 ( 0.610 0.610 24.234) 24.249 5.774 ( 14.015 14.015 -9.137) 21.825 5.946 ( 0.754 0.754 -18.058) 18.089 6.104 ( 11.809 11.809 -4.041) 17.182 6.263 ( 3.896 3.896 -2.186) 5.927 6.301 ( -3.343 -3.343 -5.024) 6.899 6.430 ( -0.631 -0.631 -7.364) 7.418 6.525 ( -8.681 -8.681 -5.243) 13.349 6.583 ( -5.836 -5.836 -4.330) 9.320 6.819 ( -3.987 -3.987 6.253) 8.420 6.878 ( -8.857 -8.857 6.351) 14.043 7.702 ( 7.007 7.007 -1.811) 10.073 7.780 ( -0.289 -0.289 -1.234) 1.299 8.097 ( 4.311 4.311 4.378) 7.506 8.175 ( -3.158 -3.158 6.719) 8.067 8.408 ( -2.496 -2.496 -8.319) 9.037 8.453 ( -6.823 -6.823 -11.352) 14.898 9.466 ( 1.757 1.757 8.036) 8.412 9.478 ( 0.413 0.413 8.851) 8.871 10.373 ( 2.669 2.669 -0.404) 3.796 10.398 ( 0.164 0.164 -0.542) 0.590 13.498 ( 0.709 0.709 3.143) 3.299 13.554 ( -5.052 -5.052 3.164) 7.814 14.136 ( 0.590 0.590 -13.836) 13.861 14.182 ( -4.113 -4.113 -13.475) 14.677 14.908 ( 2.345 2.345 3.770) 5.020 14.931 ( 0.297 0.297 4.381) 4.401 15.219 ( 0.254 0.254 -0.459) 0.582 15.243 ( -1.969 -1.969 -0.313) 2.802 16.754 ( 5.739 5.739 -4.690) 9.374 16.809 ( 0.081 0.081 -5.248) 5.250 16.952 ( 7.036 7.036 1.331) 10.039 17.030 ( 0.559 0.559 3.519) 3.606 17.130 ( 0.169 0.169 -9.389) 9.392 17.204 ( -5.743 -5.743 -7.062) 10.763 18.102 ( -0.014 -0.014 23.424) 23.424 18.137 ( -3.688 -3.688 21.597) 22.218 19.126 ( 12.235 12.235 -1.796) 17.396 19.309 ( -1.580 -1.580 -1.924) 2.949 19.525 ( 0.178 0.178 -9.636) 9.639 19.689 ( -11.882 -11.882 -9.425) 19.266 20.973 ( 4.929 4.929 1.372) 7.104 21.026 ( -0.733 -0.733 0.148) 1.047 21.389 ( 3.342 3.342 1.459) 4.946 21.432 ( -1.247 -1.247 0.387) 1.805 ======================= Grid point 242 (43/63) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 0.000 24.776) 24.776 1.107 ( 0.000 0.000 24.776) 24.776 1.766 ( 0.000 0.000 -25.429) 25.429 1.766 ( -0.000 -0.000 -25.429) 25.429 2.779 ( 0.000 0.000 59.717) 59.717 3.372 ( 0.000 0.000 42.141) 42.141 3.940 ( -0.000 -0.000 -45.362) 45.362 4.316 ( -0.000 -0.000 -43.884) 43.884 4.411 ( -0.000 0.000 6.884) 6.884 4.411 ( -0.000 -0.000 6.884) 6.884 5.198 ( 0.000 0.000 7.362) 7.362 5.198 ( -0.000 0.000 7.362) 7.362 5.863 ( 0.000 0.000 15.534) 15.534 6.171 ( 0.000 0.000 -9.581) 9.581 6.171 ( -0.000 -0.000 -9.581) 9.581 6.334 ( -0.000 -0.000 -25.127) 25.127 7.785 ( 0.000 0.000 18.645) 18.645 7.791 ( 0.000 0.000 6.517) 6.517 7.791 ( 0.000 0.000 6.517) 6.517 7.921 ( -0.000 0.000 -5.134) 5.134 7.921 ( 0.000 0.000 -5.134) 5.134 8.104 ( 0.000 0.000 -10.882) 10.882 8.329 ( 0.000 0.000 11.806) 11.806 8.474 ( -0.000 -0.000 -1.613) 1.613 8.575 ( 0.000 0.000 -0.288) 0.288 8.575 ( 0.000 0.000 -0.288) 0.288 9.439 ( 0.000 0.000 1.057) 1.057 9.439 ( 0.000 0.000 1.057) 1.057 9.587 ( 0.000 0.000 2.656) 2.656 9.658 ( 0.000 0.000 -3.699) 3.699 13.349 ( 0.000 0.000 8.108) 8.108 13.349 ( -0.000 -0.000 8.108) 8.108 13.637 ( 0.000 0.000 -13.667) 13.667 13.637 ( 0.000 0.000 -13.667) 13.667 14.959 ( -0.000 -0.000 1.866) 1.866 14.959 ( -0.000 -0.000 1.866) 1.866 15.107 ( 0.000 0.000 3.245) 3.245 15.200 ( 0.000 0.000 -5.314) 5.314 16.111 ( 0.000 0.000 15.003) 15.003 16.428 ( 0.000 0.000 -13.686) 13.686 16.965 ( -0.000 -0.000 -2.922) 2.922 16.965 ( 0.000 0.000 -2.922) 2.922 17.644 ( 0.000 0.000 1.565) 1.565 17.675 ( 0.000 0.000 -1.323) 1.323 18.457 ( 0.000 0.000 18.301) 18.301 18.457 ( 0.000 0.000 18.301) 18.301 18.686 ( 0.000 0.000 4.527) 4.527 18.795 ( 0.000 0.000 -5.285) 5.285 19.099 ( -0.000 -0.000 -12.793) 12.793 19.099 ( 0.000 0.000 -12.793) 12.793 21.236 ( 0.000 0.000 1.183) 1.183 21.273 ( 0.000 0.000 -2.374) 2.374 21.718 ( -0.000 -0.000 5.306) 5.306 21.811 ( -0.000 -0.000 -3.326) 3.326 ======================= Grid point 243 (44/63) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 12.031 0.000 22.888) 25.857 1.384 ( 25.022 0.000 16.169) 29.791 1.868 ( 10.559 0.000 -22.186) 24.571 1.950 ( 17.846 0.000 -22.113) 28.416 2.938 ( 15.971 0.000 54.324) 56.623 3.491 ( 11.988 0.000 39.054) 40.852 3.978 ( 3.443 0.000 -37.031) 37.191 4.353 ( 3.426 0.000 -29.472) 29.671 4.410 ( -0.285 0.000 5.793) 5.800 4.453 ( 4.509 0.000 -9.435) 10.457 5.213 ( 1.535 0.000 8.006) 8.152 5.229 ( 2.754 0.000 6.728) 7.270 5.778 ( -7.457 0.000 10.976) 13.269 6.134 ( -9.170 0.000 -18.377) 20.538 6.215 ( 3.934 0.000 -8.826) 9.663 6.236 ( -3.376 0.000 -10.584) 11.110 7.611 ( -11.403 0.000 9.193) 14.647 7.667 ( -9.542 0.000 1.340) 9.635 7.762 ( -4.876 0.000 5.532) 7.374 7.885 ( -3.723 0.000 -5.594) 6.720 8.035 ( 7.184 0.000 6.250) 9.522 8.207 ( 7.066 0.000 -7.645) 10.410 8.325 ( 0.229 0.000 8.466) 8.469 8.424 ( -2.348 0.000 -1.584) 2.833 8.631 ( 4.811 0.000 1.533) 5.049 8.651 ( 5.142 0.000 0.590) 5.175 9.255 ( -12.428 0.000 3.810) 12.999 9.334 ( -8.104 0.000 -3.133) 8.689 9.745 ( 9.892 0.000 0.337) 9.898 9.750 ( 6.934 0.000 -0.364) 6.943 13.400 ( 5.233 0.000 7.383) 9.050 13.418 ( 6.791 0.000 7.200) 9.897 13.689 ( 5.143 0.000 -12.512) 13.528 13.714 ( 7.722 0.000 -13.207) 15.299 14.872 ( -5.986 0.000 1.631) 6.205 14.885 ( -5.515 0.000 0.541) 5.542 15.186 ( 5.274 0.000 3.170) 6.154 15.257 ( 4.034 0.000 -3.502) 5.342 16.095 ( -1.276 0.000 14.241) 14.298 16.397 ( -3.160 0.000 -13.070) 13.446 16.982 ( 1.139 0.000 -2.635) 2.871 16.982 ( 1.423 0.000 -2.722) 3.071 17.542 ( -11.536 0.000 1.964) 11.702 17.560 ( -7.614 0.000 -0.103) 7.615 18.411 ( -2.207 0.000 13.914) 14.088 18.492 ( 2.859 0.000 8.967) 9.412 18.753 ( 4.678 0.000 10.280) 11.294 18.881 ( 8.466 0.000 9.024) 12.373 19.091 ( -0.454 0.000 -14.367) 14.374 19.311 ( 17.871 0.000 -22.734) 28.917 21.187 ( -4.834 0.000 2.463) 5.425 21.244 ( -3.166 0.000 -2.897) 4.291 21.668 ( -5.030 0.000 5.131) 7.186 21.759 ( -5.386 0.000 -3.264) 6.298 ======================= Grid point 244 (45/63) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 17.928 0.000 19.648) 26.598 1.893 ( 24.202 0.000 -5.473) 24.813 2.181 ( 22.993 0.000 -6.443) 23.879 2.374 ( 24.628 0.000 -15.273) 28.979 3.347 ( 25.320 0.000 40.452) 47.723 3.799 ( 18.888 0.000 31.718) 36.916 4.050 ( 3.760 0.000 -18.183) 18.568 4.380 ( -2.314 0.000 -8.869) 9.166 4.394 ( -1.380 0.000 3.739) 3.985 4.614 ( 12.303 0.000 -28.408) 30.958 5.253 ( 2.552 0.000 7.825) 8.231 5.285 ( 3.016 0.000 6.617) 7.272 5.640 ( -5.287 0.000 0.717) 5.336 5.849 ( -16.220 0.000 -13.759) 21.270 6.247 ( 1.728 0.000 -5.393) 5.663 6.304 ( 5.168 0.000 -9.693) 10.984 7.383 ( -12.314 0.000 6.907) 14.119 7.476 ( -10.223 0.000 -3.018) 10.659 7.627 ( -9.124 0.000 6.279) 11.076 7.779 ( -7.411 0.000 -6.894) 10.121 8.151 ( 4.915 0.000 8.834) 10.110 8.310 ( 3.456 0.000 -4.982) 6.063 8.352 ( 2.539 0.000 4.317) 5.008 8.396 ( -1.323 0.000 -1.166) 1.764 8.712 ( 1.884 0.000 2.709) 3.300 8.749 ( 5.085 0.000 0.212) 5.089 9.041 ( -8.075 0.000 6.887) 10.613 9.187 ( -6.408 0.000 -6.334) 9.010 9.878 ( 6.036 0.000 1.960) 6.347 9.913 ( 7.526 0.000 -1.186) 7.619 13.541 ( 9.266 0.000 5.808) 10.936 13.588 ( 10.502 0.000 4.538) 11.440 13.826 ( 9.180 0.000 -7.518) 11.866 13.914 ( 12.682 0.000 -12.429) 17.757 14.778 ( -3.393 0.000 1.140) 3.579 14.795 ( -3.475 0.000 -0.344) 3.492 15.269 ( 3.337 0.000 2.721) 4.306 15.317 ( 2.069 0.000 -1.522) 2.568 16.071 ( -1.340 0.000 10.854) 10.936 16.314 ( -5.313 0.000 -11.006) 12.221 16.950 ( -6.574 0.000 -0.140) 6.576 16.976 ( -4.182 0.000 -2.757) 5.009 17.320 ( -9.482 0.000 4.799) 10.628 17.421 ( -4.870 0.000 -5.015) 6.990 18.427 ( 4.545 0.000 11.243) 12.127 18.567 ( 5.782 0.000 -1.884) 6.081 18.823 ( 2.246 0.000 8.560) 8.850 18.973 ( -2.366 0.000 10.113) 10.386 19.193 ( 13.514 0.000 1.313) 13.578 19.652 ( 16.301 0.000 -26.520) 31.129 21.062 ( -7.888 0.000 4.409) 9.037 21.144 ( -7.564 0.000 -3.079) 8.167 21.536 ( -8.323 0.000 3.632) 9.081 21.608 ( -10.380 0.000 -2.772) 10.744 ======================= Grid point 245 (46/63) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 20.224 0.000 16.164) 25.890 2.281 ( 18.018 0.000 -18.041) 25.498 2.689 ( 26.673 0.000 3.091) 26.851 2.839 ( 22.979 0.000 -9.316) 24.796 3.835 ( 22.973 0.000 21.368) 31.374 4.096 ( 6.404 0.000 15.479) 16.751 4.118 ( 2.915 0.000 -4.031) 4.974 4.249 ( -10.168 0.000 -0.438) 10.178 4.429 ( 10.431 0.000 11.904) 15.827 4.881 ( 14.474 0.000 -21.476) 25.898 5.290 ( 0.472 0.000 8.631) 8.644 5.352 ( 4.409 0.000 5.816) 7.298 5.588 ( -10.003 0.000 -5.396) 11.365 5.640 ( 6.161 0.000 -14.882) 16.107 6.278 ( 1.465 0.000 -1.419) 2.040 6.410 ( 5.847 0.000 -10.926) 12.392 7.142 ( -12.742 0.000 6.696) 14.395 7.277 ( -10.660 0.000 -6.313) 12.389 7.413 ( -13.207 0.000 6.825) 14.866 7.601 ( -11.194 0.000 -9.028) 14.381 8.225 ( 2.898 0.000 8.239) 8.734 8.317 ( -3.526 0.000 4.261) 5.531 8.382 ( 0.766 0.000 -5.578) 5.630 8.401 ( 1.428 0.000 -1.668) 2.196 8.653 ( -5.573 0.000 8.141) 9.866 8.825 ( 1.977 0.000 -5.820) 6.146 9.015 ( 3.953 0.000 6.692) 7.772 9.118 ( -0.333 0.000 -3.259) 3.276 9.977 ( 4.320 0.000 2.706) 5.097 10.029 ( 4.540 0.000 -1.936) 4.936 13.740 ( 11.119 0.000 4.548) 12.013 13.801 ( 11.360 0.000 1.292) 11.433 14.037 ( 12.551 0.000 -1.271) 12.615 14.178 ( 14.329 0.000 -11.791) 18.557 14.745 ( -0.299 0.000 0.542) 0.619 14.756 ( -0.727 0.000 -0.359) 0.811 15.320 ( 2.379 0.000 1.906) 3.048 15.347 ( 1.494 0.000 -0.507) 1.578 16.032 ( -3.074 0.000 6.719) 7.389 16.196 ( -6.976 0.000 -7.969) 10.592 16.708 ( -17.387 0.000 2.659) 17.589 16.766 ( -16.400 0.000 -2.655) 16.613 17.235 ( -0.448 0.000 5.463) 5.481 17.391 ( 0.421 0.000 -9.155) 9.165 18.592 ( 11.907 0.000 9.390) 15.164 18.735 ( 11.176 0.000 -4.007) 11.872 18.842 ( 0.570 0.000 2.469) 2.534 18.885 ( -4.684 0.000 2.500) 5.310 19.492 ( 16.166 0.000 14.517) 21.728 19.913 ( 10.480 0.000 -20.458) 22.986 20.905 ( -7.752 0.000 3.339) 8.441 20.946 ( -13.103 0.000 0.140) 13.103 21.368 ( -12.186 0.000 -1.092) 12.235 21.368 ( -11.268 0.000 -1.126) 11.324 ======================= Grid point 246 (47/63) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 20.032 0.000 12.104) 23.405 2.602 ( 14.926 0.000 -16.644) 22.356 3.115 ( 16.778 0.000 2.884) 17.024 3.223 ( 16.649 0.000 -6.390) 17.833 3.928 ( -11.284 0.000 -0.073) 11.285 3.962 ( -14.653 0.000 -2.035) 14.794 4.243 ( 6.388 0.000 7.339) 9.729 4.267 ( 12.843 0.000 6.253) 14.284 4.761 ( 18.969 0.000 19.259) 27.032 5.135 ( 11.296 0.000 -9.957) 15.057 5.272 ( -1.700 0.000 8.312) 8.484 5.447 ( 0.722 0.000 -4.161) 4.223 5.516 ( 7.426 0.000 9.861) 12.344 5.830 ( 11.170 0.000 -21.258) 24.014 6.312 ( 2.625 0.000 5.230) 5.852 6.521 ( 5.129 0.000 -9.251) 10.577 6.910 ( -10.629 0.000 6.046) 12.229 7.069 ( -10.900 0.000 -9.052) 14.169 7.135 ( -14.784 0.000 4.642) 15.496 7.360 ( -13.610 0.000 -12.528) 18.499 8.227 ( -4.767 0.000 7.228) 8.659 8.249 ( -1.447 0.000 7.490) 7.628 8.372 ( -2.470 0.000 -4.549) 5.176 8.394 ( 0.176 0.000 -5.317) 5.319 8.626 ( 2.771 0.000 8.633) 9.067 8.822 ( -1.668 0.000 -8.475) 8.637 9.110 ( 4.963 0.000 5.481) 7.394 9.155 ( 3.022 0.000 1.437) 3.346 10.044 ( 2.776 0.000 2.137) 3.504 10.089 ( 1.809 0.000 -1.831) 2.574 13.948 ( 10.070 0.000 4.179) 10.903 14.007 ( 9.580 0.000 0.339) 9.586 14.280 ( 11.809 0.000 0.981) 11.850 14.430 ( 10.573 0.000 -11.114) 15.340 14.761 ( 2.245 0.000 0.440) 2.288 14.767 ( 2.109 0.000 0.059) 2.109 15.378 ( 4.017 0.000 0.959) 4.129 15.390 ( 3.267 0.000 -0.236) 3.275 15.952 ( -4.938 0.000 3.887) 6.284 16.055 ( -7.387 0.000 -5.224) 9.047 16.343 ( -19.366 0.000 3.642) 19.706 16.419 ( -18.666 0.000 -3.109) 18.923 17.257 ( 2.337 0.000 4.444) 5.021 17.396 ( -0.341 0.000 -8.518) 8.525 18.722 ( -0.792 0.000 1.536) 1.728 18.748 ( -5.004 0.000 -0.104) 5.005 18.996 ( 17.519 0.000 3.091) 17.790 19.055 ( 17.437 0.000 -2.086) 17.561 19.777 ( 12.366 0.000 12.598) 17.653 20.017 ( -0.621 0.000 -7.857) 7.882 20.669 ( -14.163 0.000 7.039) 15.816 20.810 ( -0.967 0.000 -5.002) 5.095 21.064 ( -16.875 0.000 3.195) 17.174 21.198 ( -8.822 0.000 -7.517) 11.590 ======================= Grid point 247 (48/63) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 15.151 0.000 5.534) 16.130 2.785 ( 1.451 0.000 -7.918) 8.050 3.354 ( 10.547 0.000 4.253) 11.373 3.460 ( 6.576 0.000 -2.825) 7.157 3.675 ( -11.320 0.000 -5.297) 12.498 3.712 ( -10.251 0.000 -6.231) 11.996 4.370 ( 5.533 0.000 5.831) 8.039 4.409 ( 2.154 0.000 2.537) 3.328 5.060 ( 11.402 0.000 16.145) 19.765 5.201 ( -4.021 0.000 14.612) 15.156 5.327 ( 6.552 0.000 -8.664) 10.863 5.416 ( -2.860 0.000 -4.626) 5.439 5.770 ( 14.835 0.000 5.267) 15.742 5.953 ( -1.329 0.000 -10.358) 10.443 6.403 ( 7.159 0.000 11.029) 13.148 6.544 ( -4.543 0.000 5.016) 6.767 6.787 ( -1.564 0.000 0.926) 1.818 6.871 ( -9.027 0.000 -8.740) 12.565 6.953 ( 0.099 0.000 -11.413) 11.413 7.104 ( -12.284 0.000 -16.270) 20.387 8.163 ( -1.374 0.000 7.230) 7.359 8.184 ( -3.300 0.000 6.450) 7.245 8.367 ( 1.046 0.000 -2.373) 2.593 8.387 ( -0.819 0.000 -3.662) 3.752 8.702 ( 4.259 0.000 1.838) 4.639 8.775 ( -3.210 0.000 -4.357) 5.412 9.184 ( 2.420 0.000 4.434) 5.052 9.198 ( 0.959 0.000 3.215) 3.355 10.085 ( 1.555 0.000 0.699) 1.705 10.103 ( -0.206 0.000 -0.855) 0.880 14.105 ( 5.661 0.000 4.008) 6.936 14.136 ( 2.929 0.000 2.184) 3.653 14.451 ( 5.909 0.000 -2.603) 6.457 14.521 ( -0.878 0.000 -7.855) 7.904 14.836 ( 3.902 0.000 0.579) 3.944 14.838 ( 4.099 0.000 0.150) 4.101 15.461 ( 3.217 0.000 -0.123) 3.220 15.461 ( 3.226 0.000 -0.118) 3.228 15.881 ( -0.753 0.000 2.783) 2.883 15.943 ( -4.054 0.000 -1.772) 4.425 16.034 ( -9.583 0.000 1.657) 9.725 16.102 ( -12.803 0.000 -3.415) 13.250 17.314 ( 3.311 0.000 1.125) 3.497 17.371 ( -2.303 0.000 -4.097) 4.700 18.679 ( -1.743 0.000 -2.605) 3.135 18.683 ( -1.796 0.000 -3.068) 3.555 19.351 ( 15.644 0.000 4.038) 16.157 19.377 ( 13.090 0.000 2.110) 13.259 19.878 ( -2.815 0.000 1.388) 3.139 19.906 ( -8.188 0.000 -0.359) 8.196 20.532 ( 3.326 0.000 15.698) 16.046 20.744 ( -15.643 0.000 11.043) 19.149 20.875 ( 6.735 0.000 -12.952) 14.598 21.029 ( -8.755 0.000 -12.059) 14.902 ======================= Grid point 254 (49/63) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 7.789 7.789 23.637) 26.078 1.590 ( 17.540 17.540 15.012) 28.994 1.858 ( 4.720 4.720 -24.971) 25.847 2.162 ( 15.656 15.656 -16.536) 27.634 3.118 ( 17.584 17.584 46.958) 53.136 3.601 ( 11.130 11.130 36.067) 39.352 4.026 ( 4.368 4.368 -29.462) 30.102 4.342 ( -0.290 -0.290 -10.583) 10.591 4.433 ( 0.214 0.214 -1.093) 1.134 4.498 ( 5.850 5.850 -22.432) 23.909 5.226 ( 1.541 1.541 7.340) 7.656 5.254 ( 1.994 1.994 7.162) 7.697 5.683 ( -8.554 -8.554 6.168) 13.580 6.042 ( -8.477 -8.477 -18.266) 21.848 6.238 ( 3.575 3.575 -8.980) 10.306 6.280 ( 2.266 2.266 -5.382) 6.264 7.475 ( -9.613 -9.613 5.475) 14.656 7.621 ( -7.160 -7.160 3.648) 10.762 7.718 ( -5.588 -5.588 1.154) 7.986 7.849 ( -2.038 -2.038 -2.154) 3.598 8.062 ( 2.454 2.454 4.208) 5.455 8.287 ( 5.453 5.453 -3.760) 8.579 8.344 ( 1.440 1.440 8.209) 8.458 8.445 ( 0.996 0.996 -1.675) 2.188 8.526 ( -2.121 -2.121 -1.322) 3.278 8.781 ( 6.594 6.594 2.875) 9.758 9.028 ( -13.866 -13.866 0.701) 19.622 9.484 ( 2.421 2.421 0.375) 3.444 9.634 ( 0.304 0.304 -1.178) 1.254 9.899 ( 7.457 7.457 0.480) 10.556 13.366 ( 0.884 0.884 8.137) 8.232 13.553 ( 9.401 9.401 5.269) 14.301 13.644 ( 0.412 0.412 -13.711) 13.724 13.882 ( 11.974 11.974 -10.481) 19.915 14.771 ( -4.460 -4.460 0.392) 6.319 14.954 ( -0.210 -0.210 1.807) 1.832 15.129 ( -0.612 -0.612 0.330) 0.927 15.333 ( 4.195 4.195 -0.608) 5.964 16.071 ( -2.237 -2.237 12.393) 12.791 16.372 ( -2.635 -2.635 -11.583) 12.168 16.963 ( -0.068 -0.068 -2.963) 2.965 16.994 ( -1.755 -1.755 -1.693) 3.004 17.467 ( -6.880 -6.880 3.472) 10.331 17.524 ( -2.616 -2.616 -2.077) 4.243 18.381 ( -2.921 -2.921 3.868) 5.659 18.487 ( 1.458 1.458 19.141) 19.252 18.813 ( 5.230 5.230 1.314) 7.513 18.950 ( 5.132 5.132 15.822) 17.407 19.109 ( 0.518 0.518 -13.584) 13.604 19.443 ( 13.772 13.772 -22.572) 29.814 21.116 ( -6.541 -6.541 3.958) 10.061 21.210 ( -4.120 -4.120 -3.864) 6.992 21.642 ( -3.040 -3.040 4.102) 5.943 21.724 ( -3.489 -3.489 -2.763) 5.655 ======================= Grid point 255 (50/63) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 18.448 1.452 19.721) 27.043 1.961 ( 18.300 7.315 -2.656) 19.886 2.097 ( 21.628 -3.118 -6.791) 22.883 2.492 ( 18.350 9.270 -12.210) 23.910 3.529 ( 22.675 16.010 30.852) 41.501 3.886 ( 17.301 8.800 28.670) 34.623 4.115 ( 4.666 6.047 -10.903) 13.312 4.340 ( -0.189 -2.382 -1.403) 2.771 4.406 ( -3.362 -0.113 -3.606) 4.932 4.670 ( 11.888 5.744 -26.351) 29.474 5.268 ( 1.930 1.207 7.089) 7.445 5.284 ( 1.117 -1.127 6.067) 6.271 5.528 ( -5.334 -6.621 -4.776) 9.751 5.861 ( -9.196 -1.024 -10.657) 14.113 6.299 ( 0.746 4.429 -4.214) 6.159 6.342 ( 5.758 3.671 -8.381) 10.810 7.286 ( -10.067 -8.144 3.780) 13.489 7.443 ( -10.482 -3.810 1.712) 11.283 7.551 ( -11.381 -7.984 -1.068) 13.943 7.792 ( -4.593 0.241 -1.912) 4.981 8.110 ( 2.567 -2.929 4.919) 6.274 8.307 ( -3.976 -0.511 3.365) 5.234 8.382 ( 2.347 2.792 -0.140) 3.650 8.458 ( 2.406 4.396 0.747) 5.066 8.583 ( 3.830 -7.486 -1.373) 8.520 8.757 ( -10.166 -9.587 -0.398) 13.979 8.922 ( 5.920 2.246 4.019) 7.499 9.401 ( -6.115 13.281 -0.998) 14.655 9.761 ( 8.189 -6.713 0.391) 10.596 10.026 ( 5.677 6.307 0.209) 8.488 13.439 ( 6.556 -4.071 7.482) 10.749 13.700 ( 5.655 -3.001 -11.761) 13.390 13.759 ( 11.278 8.685 2.561) 14.463 14.142 ( 14.753 15.673 -7.545) 22.809 14.719 ( -1.026 -2.118 -0.064) 2.355 14.886 ( -4.734 5.068 0.983) 7.005 15.175 ( 3.449 -5.793 0.566) 6.766 15.394 ( 2.390 4.354 0.476) 4.989 16.016 ( -3.596 -5.270 7.954) 10.197 16.294 ( -5.571 -2.803 -8.219) 10.317 16.883 ( -9.455 -4.994 -0.485) 10.703 16.972 ( 0.080 -0.865 -2.803) 2.935 17.286 ( -11.020 -3.048 3.248) 11.886 17.516 ( 1.238 8.015 -3.641) 8.890 18.355 ( 1.321 -5.184 1.852) 5.661 18.560 ( 6.203 -1.296 15.318) 16.577 18.917 ( 4.754 7.728 1.458) 9.189 18.987 ( -2.512 1.767 8.685) 9.212 19.165 ( 7.290 -2.418 -7.827) 10.966 19.766 ( 18.018 11.265 -15.365) 26.223 20.954 ( -10.216 -10.099 6.704) 15.852 21.091 ( -7.828 -5.296 -5.756) 11.066 21.528 ( -9.341 -1.650 1.462) 9.598 21.639 ( -5.237 2.539 -1.044) 5.913 ======================= Grid point 256 (51/63) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 21.342 2.260 15.133) 26.260 2.296 ( 17.671 1.321 -16.150) 23.976 2.601 ( 27.471 -6.330 7.636) 29.207 2.848 ( 18.658 1.926 -10.422) 21.458 3.869 ( 10.082 2.416 10.889) 15.035 4.125 ( 1.379 1.539 7.895) 8.161 4.207 ( 1.643 6.364 3.674) 7.529 4.288 ( -1.324 5.805 3.798) 7.063 4.454 ( 14.471 3.260 12.876) 19.642 4.925 ( 13.849 4.569 -18.833) 23.819 5.230 ( -3.621 -8.279 1.480) 9.156 5.350 ( 4.752 1.121 2.923) 5.691 5.522 ( 3.071 2.641 -3.127) 5.117 5.750 ( -0.666 3.062 -7.963) 8.557 6.289 ( -1.424 1.514 -2.965) 3.621 6.472 ( 7.506 5.793 -7.851) 12.310 7.088 ( -10.630 -5.453 3.261) 12.384 7.231 ( -11.832 -5.068 0.664) 12.889 7.298 ( -14.333 -8.580 -4.242) 17.235 7.670 ( -8.128 3.901 -2.884) 9.466 8.160 ( 2.155 -4.987 5.121) 7.466 8.196 ( -6.752 -7.635 3.413) 10.749 8.357 ( -6.704 -7.894 -3.567) 10.954 8.491 ( -1.423 4.207 -1.208) 4.603 8.567 ( 2.682 -2.500 8.668) 9.411 8.742 ( 4.470 -5.067 -5.991) 9.031 9.043 ( 6.224 3.350 4.307) 8.278 9.306 ( -3.615 13.542 -0.204) 14.018 9.902 ( 6.411 -4.484 0.984) 7.885 10.111 ( 3.207 5.301 -0.315) 6.204 13.604 ( 10.315 -7.353 5.929) 13.986 13.849 ( 9.833 -7.173 -9.802) 15.627 13.971 ( 10.198 7.236 2.540) 12.760 14.421 ( 13.467 15.828 -5.992) 21.629 14.722 ( 0.875 -0.667 -0.216) 1.121 14.812 ( -2.468 4.075 0.509) 4.791 15.235 ( 2.975 -4.701 0.564) 5.591 15.442 ( 3.083 5.919 0.765) 6.718 15.932 ( -5.064 -8.455 4.369) 10.781 16.158 ( -8.465 -5.054 -5.381) 11.232 16.667 ( -12.361 0.437 0.140) 12.369 16.875 ( -12.392 6.025 -0.935) 13.811 17.147 ( -1.026 -5.162 0.868) 5.334 17.529 ( -0.619 10.104 -4.039) 10.899 18.450 ( 8.685 -9.566 1.007) 12.960 18.692 ( 5.058 -2.440 9.685) 11.195 18.884 ( -5.458 -0.637 5.330) 7.656 19.057 ( 11.193 14.006 -3.442) 18.257 19.333 ( 8.498 -9.726 -1.128) 12.965 20.087 ( 14.700 13.293 -4.919) 20.420 20.746 ( -10.363 -11.856 3.993) 16.245 20.929 ( -8.794 -5.516 -3.615) 10.992 21.290 ( -15.181 -0.413 -0.138) 15.188 21.518 ( -7.602 7.084 -1.008) 10.440 ======================= Grid point 257 (52/63) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 20.346 3.989 11.416) 23.669 2.627 ( 15.978 1.762 -15.204) 22.126 3.030 ( 15.464 -5.749 3.920) 16.957 3.212 ( 18.682 -2.688 -5.345) 19.616 3.890 ( -7.309 -4.219 0.151) 8.440 3.980 ( -12.058 1.585 -1.088) 12.210 4.154 ( 2.125 -0.817 6.247) 6.649 4.420 ( 5.421 7.471 5.511) 10.750 4.804 ( 18.141 4.477 16.958) 25.233 5.157 ( 5.914 0.203 -2.107) 6.282 5.189 ( 3.508 -5.383 -5.180) 8.253 5.441 ( 2.716 1.132 -3.381) 4.482 5.608 ( 7.968 8.365 10.764) 15.790 5.838 ( 7.187 -1.620 -11.862) 13.964 6.265 ( -0.123 -2.351 -2.065) 3.132 6.604 ( 4.129 6.096 -2.963) 7.936 6.889 ( -9.443 -2.509 3.055) 10.237 6.986 ( -10.989 -9.640 -5.018) 15.455 7.055 ( -10.966 -2.138 -7.079) 13.226 7.480 ( -11.693 7.978 -4.573) 14.876 8.057 ( -6.492 -11.509 4.088) 13.832 8.133 ( -7.666 -13.213 4.729) 15.991 8.268 ( 1.923 -7.862 -2.595) 8.500 8.463 ( -1.833 3.431 -1.563) 4.193 8.664 ( 5.788 3.579 5.580) 8.801 8.813 ( 2.421 -2.594 -4.983) 6.117 9.148 ( 4.514 2.591 4.102) 6.627 9.260 ( -1.378 10.586 1.837) 10.832 10.008 ( 4.753 -1.873 0.798) 5.171 10.147 ( 0.551 4.245 -0.589) 4.321 13.816 ( 11.249 -8.264 4.304) 14.607 14.068 ( 12.444 -7.146 -6.654) 15.817 14.126 ( 5.580 0.298 2.215) 6.011 14.591 ( 2.340 7.323 -5.969) 9.733 14.744 ( 1.684 -0.325 -0.146) 1.721 14.814 ( 2.983 3.596 0.644) 4.716 15.300 ( 4.055 -2.347 0.331) 4.697 15.507 ( 2.455 5.108 0.578) 5.697 15.849 ( -1.965 -5.714 3.254) 6.863 16.001 ( -6.208 -3.730 -4.380) 8.464 16.423 ( -13.046 8.120 1.268) 15.418 16.571 ( -17.449 11.217 -1.089) 20.772 17.190 ( 4.176 -4.589 -0.095) 6.205 17.488 ( -3.514 6.783 -3.780) 8.523 18.675 ( 12.804 -12.877 3.216) 18.442 18.706 ( -1.244 -1.038 -1.072) 1.942 18.797 ( -2.723 -0.268 2.247) 3.541 19.391 ( 17.821 18.235 1.833) 25.563 19.439 ( 5.429 -20.541 -1.877) 21.329 20.286 ( 5.441 12.068 10.531) 16.916 20.602 ( -5.635 -1.831 -5.853) 8.328 20.776 ( -6.287 -9.497 1.415) 11.477 20.976 ( -15.252 1.435 -2.722) 15.559 21.350 ( -9.835 8.814 -2.702) 13.481 ======================= Grid point 258 (53/63) ======================= q-point: ( 0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 14.859 4.212 5.490) 16.391 2.826 ( 1.695 3.792 -7.134) 8.256 3.256 ( 11.138 -7.624 1.392) 13.569 3.429 ( -0.535 -5.213 0.030) 5.240 3.719 ( -4.161 5.214 -6.725) 9.473 3.784 ( -7.722 5.775 -3.357) 10.210 4.281 ( 9.284 -6.582 5.162) 12.496 4.428 ( -4.417 -0.676 3.471) 5.658 5.074 ( 9.231 1.010 13.780) 16.617 5.162 ( -1.035 -3.227 7.567) 8.292 5.331 ( 6.104 0.670 -3.373) 7.006 5.424 ( -3.540 1.723 -0.947) 4.049 5.819 ( 10.965 4.180 3.405) 12.218 5.927 ( 0.470 -3.538 -3.264) 4.837 6.317 ( 5.847 -5.594 -1.604) 8.249 6.498 ( -11.949 -5.637 2.374) 13.424 6.782 ( -0.691 -0.689 -0.358) 1.039 6.867 ( -8.261 -0.402 -6.121) 10.290 6.991 ( 9.942 5.850 -11.419) 16.231 7.232 ( -13.693 9.718 -7.692) 18.469 7.973 ( -1.748 -14.910 4.055) 15.550 8.001 ( -4.659 -15.816 3.791) 16.918 8.337 ( 4.166 -3.436 -1.483) 5.600 8.412 ( -3.465 0.392 -1.784) 3.917 8.766 ( 4.541 3.932 2.118) 6.369 8.825 ( -1.327 1.443 -1.772) 2.642 9.213 ( 2.277 2.938 3.761) 5.288 9.241 ( -0.933 5.819 3.149) 6.682 10.085 ( 3.374 0.679 0.173) 3.446 10.135 ( -1.720 2.774 -0.403) 3.288 14.015 ( 9.041 -6.746 3.424) 11.789 14.138 ( -3.130 -2.239 3.192) 5.000 14.327 ( 12.629 -9.216 -5.955) 16.729 14.528 ( -7.637 -2.311 -5.680) 9.794 14.798 ( 3.843 -0.766 0.004) 3.918 14.854 ( -0.671 -0.748 0.425) 1.091 15.386 ( 4.715 -3.170 0.237) 5.686 15.481 ( -4.593 -3.304 0.097) 5.659 15.912 ( 8.147 6.878 3.233) 11.142 15.993 ( 5.014 7.444 -3.693) 9.705 16.174 ( -11.534 11.287 2.571) 16.342 16.253 ( -14.596 12.211 -2.859) 19.244 17.288 ( 5.796 -2.046 -0.884) 6.209 17.400 ( -5.509 1.958 -2.393) 6.317 18.679 ( 0.079 0.644 -2.924) 2.995 18.710 ( -2.905 2.182 0.158) 3.637 19.009 ( 17.003 -18.209 1.468) 24.956 19.304 ( -12.318 -18.623 2.283) 22.445 19.883 ( 25.620 13.877 0.178) 29.137 20.307 ( -11.693 20.305 3.442) 23.683 20.441 ( -1.796 -6.276 8.422) 10.656 20.582 ( -11.645 -12.178 4.014) 17.321 20.944 ( 8.961 5.601 -7.765) 13.114 21.148 ( -11.084 8.256 -5.420) 14.846 ======================= Grid point 266 (54/63) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 10.693 10.693 19.753) 24.877 2.103 ( 7.592 7.592 -21.809) 24.308 2.218 ( 15.384 15.384 16.048) 27.035 2.700 ( 12.216 12.216 -11.441) 20.721 3.817 ( 10.632 10.632 13.810) 20.415 4.087 ( 8.835 8.835 16.844) 20.972 4.256 ( 8.336 8.336 3.593) 12.324 4.330 ( 4.189 4.189 5.587) 8.143 4.387 ( -1.597 -1.597 -1.729) 2.844 4.828 ( 10.500 10.500 -21.021) 25.737 5.173 ( -7.715 -7.715 -3.138) 11.353 5.324 ( 3.780 3.780 5.243) 7.487 5.516 ( 4.725 4.725 -1.915) 6.951 5.804 ( -4.227 -4.227 -8.155) 10.111 6.354 ( 0.453 0.453 -2.071) 2.168 6.450 ( 7.525 7.525 -6.839) 12.650 7.119 ( -8.783 -8.783 2.766) 12.726 7.334 ( -7.585 -7.585 1.213) 10.795 7.335 ( -13.942 -13.942 -5.140) 20.376 7.773 ( -1.957 -1.957 -0.539) 2.820 8.044 ( -3.669 -3.669 2.806) 5.899 8.281 ( -6.304 -6.304 6.083) 10.793 8.382 ( -11.170 -11.170 -1.330) 15.853 8.403 ( 1.481 1.481 4.313) 4.794 8.567 ( 4.542 4.542 0.138) 6.424 8.628 ( -0.515 -0.515 -6.123) 6.166 9.015 ( 5.464 5.464 4.057) 8.727 9.635 ( 5.530 5.530 -0.141) 7.821 9.645 ( 0.260 0.260 0.986) 1.052 10.135 ( 4.921 4.921 -0.011) 6.959 13.415 ( 1.639 1.639 8.114) 8.439 13.672 ( 1.045 1.045 -13.714) 13.793 13.953 ( 9.837 9.837 2.405) 14.118 14.450 ( 15.437 15.437 -5.236) 22.450 14.704 ( 0.350 0.350 -0.412) 0.644 14.948 ( -0.030 -0.030 1.686) 1.686 15.099 ( -0.346 -0.346 -0.323) 0.587 15.473 ( 4.162 4.162 0.905) 5.955 15.892 ( -7.138 -7.138 4.638) 11.109 16.190 ( -7.737 -7.737 -5.199) 12.114 16.795 ( -4.048 -4.048 -0.694) 5.766 16.962 ( 0.030 0.030 -3.047) 3.047 17.198 ( -6.113 -6.113 2.297) 8.946 17.667 ( 6.199 6.199 -3.149) 9.316 18.282 ( -1.763 -1.763 -1.292) 2.809 18.551 ( 1.653 1.653 20.772) 20.903 18.919 ( -4.980 -4.980 3.113) 7.699 19.139 ( 1.025 1.025 -15.119) 15.188 19.162 ( 12.153 12.153 2.427) 17.357 20.040 ( 16.118 16.118 -3.323) 23.035 20.722 ( -13.097 -13.097 9.295) 20.723 20.954 ( -8.607 -8.607 -9.733) 15.585 21.459 ( -5.781 -5.781 1.291) 8.277 21.665 ( -0.494 -0.494 -1.055) 1.265 ======================= Grid point 267 (55/63) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 21.035 1.396 14.778) 25.745 2.324 ( 15.035 1.657 -16.934) 22.706 2.576 ( 21.088 5.457 14.715) 26.287 2.939 ( 12.127 7.244 -10.679) 17.708 3.882 ( -2.556 -1.882 4.098) 5.183 4.112 ( -3.992 -2.805 1.096) 5.001 4.285 ( -4.689 2.181 5.638) 7.651 4.460 ( 7.415 9.161 7.180) 13.800 4.587 ( 18.837 11.086 13.192) 25.529 5.046 ( 5.631 2.268 -10.439) 12.075 5.061 ( 2.367 -1.446 -11.285) 11.620 5.413 ( 5.382 4.976 0.806) 7.373 5.655 ( 8.785 9.521 5.528) 14.085 5.727 ( -3.216 -4.617 -5.392) 7.793 6.316 ( -3.901 0.189 -0.402) 3.926 6.614 ( 9.081 8.760 -4.960) 13.557 6.954 ( -8.573 -7.930 1.562) 11.782 7.034 ( -16.093 -13.715 -9.688) 23.258 7.175 ( -8.860 -5.708 -0.817) 10.571 7.713 ( -4.622 1.426 -0.791) 4.901 7.980 ( -4.987 -11.787 4.070) 13.431 8.089 ( -9.485 -14.863 -3.220) 17.923 8.157 ( -10.418 -0.849 6.006) 12.056 8.488 ( 4.368 -3.531 5.348) 7.756 8.606 ( 0.833 3.156 -2.799) 4.300 8.691 ( 4.644 -0.456 -4.210) 6.285 9.118 ( 5.181 4.241 3.633) 7.618 9.549 ( -4.179 10.649 1.743) 11.572 9.836 ( 9.300 -1.555 0.625) 9.450 10.208 ( 2.664 4.634 -0.381) 5.358 13.499 ( 6.966 -3.283 7.551) 10.785 13.739 ( 5.959 -3.319 -12.820) 14.521 14.109 ( 5.882 5.689 2.390) 8.525 14.670 ( 5.230 7.693 -4.894) 10.512 14.721 ( 1.377 0.784 -0.580) 1.687 14.903 ( -2.407 4.897 1.192) 5.585 15.168 ( 6.157 -1.324 0.225) 6.302 15.547 ( 2.117 3.390 0.795) 4.075 15.780 ( -2.300 -4.719 3.624) 6.380 16.039 ( -6.374 -5.229 -4.216) 9.260 16.713 ( -5.081 3.081 -0.679) 5.981 16.951 ( -3.535 1.888 -2.134) 4.540 17.080 ( -3.658 -1.897 0.579) 4.161 17.708 ( -2.306 7.265 -2.141) 7.917 18.307 ( 4.659 -4.794 -0.699) 6.721 18.636 ( 5.962 -3.278 17.645) 18.912 18.812 ( -4.846 -6.455 2.343) 8.405 19.156 ( 0.774 0.193 -16.703) 16.722 19.418 ( 13.753 14.575 2.537) 20.199 20.321 ( 8.952 8.342 9.648) 15.582 20.514 ( -4.088 -9.642 3.000) 10.894 20.776 ( -9.445 -8.678 -11.642) 17.322 21.302 ( -10.614 0.316 1.564) 10.733 21.612 ( -4.982 2.510 -1.542) 5.788 ======================= Grid point 268 (56/63) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 22.396 -0.137 9.305) 24.253 2.638 ( 16.576 -0.379 -11.392) 20.117 2.970 ( 16.623 -0.178 9.231) 19.015 3.152 ( 10.867 -1.668 -6.122) 12.584 3.786 ( -5.629 -5.993 0.862) 8.267 4.003 ( -6.315 -0.055 -2.176) 6.679 4.195 ( -3.862 3.797 8.409) 10.002 4.512 ( -2.867 1.532 3.499) 4.777 4.931 ( 13.425 8.169 7.919) 17.598 5.037 ( 3.964 -3.897 -6.739) 8.736 5.250 ( 7.783 5.613 0.864) 9.634 5.513 ( 3.617 6.115 -4.641) 8.486 5.702 ( 1.468 -8.729 -3.738) 9.608 5.816 ( 7.471 9.735 13.953) 18.581 6.240 ( -3.004 -1.932 -2.089) 4.138 6.645 ( -11.822 -3.921 -10.033) 15.994 6.806 ( -6.767 -6.077 -0.254) 9.099 6.892 ( 8.215 2.530 -7.536) 11.431 7.008 ( -8.097 -2.940 -3.019) 9.128 7.598 ( -7.343 3.779 -1.224) 8.349 7.799 ( -9.974 -16.690 3.422) 19.742 7.886 ( -12.667 -8.721 1.629) 15.464 8.122 ( 4.838 -6.939 0.103) 8.460 8.498 ( -3.454 0.268 -0.075) 3.465 8.662 ( 4.944 -4.692 0.889) 6.874 8.766 ( 2.902 -1.742 -1.764) 3.817 9.214 ( 4.946 4.576 3.191) 7.455 9.475 ( -3.776 10.170 3.044) 11.268 9.996 ( 7.437 1.069 0.401) 7.524 10.233 ( -0.159 4.504 -0.540) 4.539 13.669 ( 10.317 -6.673 6.251) 13.786 13.896 ( 10.290 -7.375 -10.753) 16.610 14.156 ( -1.198 -0.598 2.756) 3.064 14.627 ( -7.941 -3.435 -5.010) 9.998 14.756 ( 2.309 1.521 -0.943) 2.921 14.878 ( -1.231 2.745 0.887) 3.137 15.281 ( 4.182 -0.826 0.820) 4.341 15.496 ( -5.696 -5.369 -0.130) 7.829 15.874 ( 10.477 8.297 4.059) 13.967 16.021 ( 5.645 6.972 -4.278) 9.939 16.585 ( -8.455 7.870 -0.278) 11.555 16.778 ( -12.538 9.701 -0.388) 15.858 17.111 ( 4.970 -3.569 -1.849) 6.392 17.597 ( -8.389 3.481 -1.627) 9.227 18.460 ( 11.094 -8.047 0.971) 13.739 18.694 ( -0.016 -0.023 -1.375) 1.375 18.776 ( 0.322 -4.933 15.712) 16.472 19.140 ( -3.709 -7.010 -12.519) 14.820 19.692 ( 15.232 10.187 1.422) 18.380 20.310 ( -0.658 -3.720 12.937) 13.477 20.523 ( -8.178 -12.718 -3.536) 15.528 20.748 ( 10.647 11.159 -7.235) 17.036 21.062 ( -13.471 5.620 1.369) 14.660 21.479 ( -8.751 4.498 -2.088) 10.058 ======================= Grid point 269 (57/63) ======================= q-point: ( 0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 15.615 2.552 5.131) 16.633 2.889 ( 5.461 1.302 -6.180) 8.349 3.129 ( 5.454 -3.549 2.423) 6.943 3.274 ( -3.889 -10.220 -0.317) 10.940 3.790 ( 7.297 -0.025 -1.655) 7.482 3.903 ( -4.213 5.412 -3.401) 7.656 4.175 ( 3.703 -2.868 5.689) 7.369 4.358 ( -11.960 -6.685 3.834) 14.228 5.063 ( 5.486 -1.514 0.042) 5.691 5.143 ( -0.280 1.544 3.156) 3.524 5.375 ( 7.186 4.564 8.662) 12.144 5.501 ( -4.616 6.102 3.173) 8.283 5.804 ( 8.422 -6.216 0.407) 10.475 5.916 ( 0.253 4.317 5.018) 6.624 6.228 ( 3.440 -4.434 -6.827) 8.838 6.396 ( -12.145 -3.533 -14.212) 19.026 6.749 ( 1.673 -2.986 -1.362) 3.684 6.846 ( -7.273 -2.189 -2.283) 7.931 7.143 ( 14.512 8.907 -4.278) 17.556 7.414 ( -12.520 8.768 -1.940) 15.408 7.666 ( -3.335 -16.906 2.568) 17.422 7.689 ( -6.176 -14.692 2.071) 16.072 8.249 ( 7.600 -5.358 -1.447) 9.411 8.393 ( -6.978 -2.123 -1.874) 7.531 8.751 ( 3.732 -5.739 1.468) 7.001 8.792 ( -0.363 -4.210 0.214) 4.231 9.308 ( 4.863 6.652 3.230) 8.851 9.397 ( -4.386 8.830 3.467) 10.451 10.120 ( 5.466 3.024 -0.025) 6.247 10.202 ( -3.019 4.108 -0.394) 5.113 13.874 ( 10.548 -7.613 4.522) 13.772 14.044 ( -4.974 -6.955 1.420) 8.668 14.153 ( 11.110 -8.676 -6.411) 15.486 14.413 ( -13.558 -9.122 -6.332) 17.525 14.806 ( 2.554 1.245 -0.143) 2.845 14.847 ( -1.810 0.730 0.637) 2.053 15.330 ( 2.059 -2.666 0.771) 3.456 15.391 ( -4.586 -4.592 -0.294) 6.496 16.120 ( 14.033 12.915 2.878) 19.287 16.217 ( 12.537 14.628 -3.122) 19.517 16.391 ( -11.072 10.667 0.791) 15.395 16.511 ( -14.763 13.956 -1.181) 20.350 17.240 ( 8.249 -3.127 -2.075) 9.062 17.417 ( -9.848 -0.794 -1.854) 10.052 18.697 ( 7.246 -7.989 3.302) 11.280 18.713 ( 5.869 0.106 2.303) 6.306 18.763 ( 0.672 -1.277 3.190) 3.501 18.983 ( -12.120 -10.726 -3.327) 16.523 19.997 ( 15.866 -6.077 -0.138) 16.990 20.266 ( -11.047 -14.946 0.295) 18.588 20.458 ( 9.021 10.186 3.823) 14.133 20.715 ( -14.852 17.017 2.545) 22.730 21.050 ( 12.168 5.326 -3.659) 13.778 21.284 ( -11.503 5.675 -2.770) 13.123 ======================= Grid point 278 (58/63) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 10.615 10.615 13.701) 20.324 2.403 ( 7.824 7.824 -14.996) 18.636 2.767 ( 12.575 12.575 14.141) 22.721 3.086 ( 6.913 6.913 -7.349) 12.231 3.797 ( -6.364 -6.364 1.579) 9.138 4.032 ( -5.010 -5.010 -1.076) 7.166 4.300 ( -0.438 -0.438 10.611) 10.629 4.562 ( 0.318 0.318 2.717) 2.754 4.865 ( 17.029 17.029 10.087) 26.110 4.977 ( -0.702 -0.702 -16.379) 16.409 5.229 ( 9.569 9.569 -1.463) 13.611 5.531 ( 7.223 7.223 -4.339) 11.098 5.588 ( -8.026 -8.026 -1.565) 11.458 5.865 ( 10.632 10.632 11.133) 18.709 6.265 ( -5.593 -5.593 5.719) 9.761 6.766 ( -12.733 -12.733 -21.546) 28.080 6.790 ( 1.608 1.608 -1.865) 2.941 6.811 ( 0.302 0.302 0.649) 0.777 7.051 ( -6.817 -6.817 -1.769) 9.802 7.726 ( -13.799 -13.799 2.893) 19.728 7.755 ( 1.645 1.645 -0.546) 2.390 7.827 ( -10.487 -10.487 -2.734) 15.081 8.109 ( -5.786 -5.786 9.043) 12.195 8.445 ( 0.439 0.439 1.775) 1.880 8.627 ( -1.704 -1.704 -9.479) 9.780 8.692 ( 0.416 0.416 3.151) 3.206 9.208 ( 5.341 5.341 2.829) 8.066 9.651 ( -0.001 -0.001 3.920) 3.920 9.897 ( 7.751 7.751 -0.106) 10.962 10.282 ( 2.842 2.842 -0.611) 4.065 13.487 ( 2.022 2.022 7.904) 8.405 13.724 ( 1.614 1.614 -13.495) 13.686 14.162 ( -0.488 -0.488 2.689) 2.776 14.675 ( -5.934 -5.934 -4.269) 9.416 14.751 ( 1.695 1.695 -1.858) 3.033 14.956 ( 0.438 0.438 1.605) 1.720 15.201 ( 3.054 3.054 0.435) 4.341 15.497 ( -6.095 -6.095 -0.152) 8.621 15.850 ( 10.067 10.067 4.294) 14.870 16.036 ( 5.950 5.950 -4.124) 9.370 16.748 ( 0.061 0.061 -1.189) 1.192 16.968 ( 0.284 0.284 -3.110) 3.136 17.051 ( -1.589 -1.589 1.015) 2.466 17.748 ( -4.012 -4.012 -1.409) 5.846 18.281 ( 2.170 2.170 -0.989) 3.225 18.600 ( 0.812 0.812 21.487) 21.518 18.717 ( -2.489 -2.489 -3.114) 4.700 19.182 ( 1.128 1.128 -15.767) 15.848 19.652 ( 7.453 7.453 3.629) 11.147 20.271 ( -4.781 -4.781 13.448) 15.052 20.466 ( -4.807 -4.807 -4.090) 7.934 20.728 ( 7.154 7.154 -8.060) 12.935 21.275 ( -3.373 -3.373 1.995) 5.170 21.611 ( -2.552 -2.552 -1.938) 4.097 ======================= Grid point 279 (59/63) ======================= q-point: ( 0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 18.319 -1.401 7.466) 19.832 2.631 ( 15.174 0.377 -8.261) 17.281 3.000 ( 10.179 1.722 7.592) 12.815 3.163 ( 0.571 2.071 -0.009) 2.148 3.680 ( -4.101 -4.417 2.173) 6.407 3.951 ( -2.603 -5.052 -3.608) 6.732 4.264 ( -3.783 2.352 8.641) 9.722 4.455 ( -11.314 -7.752 1.918) 13.848 5.002 ( 2.865 3.207 -12.662) 13.373 5.181 ( 12.465 14.113 4.978) 19.477 5.368 ( 3.449 5.727 9.718) 11.795 5.512 ( 4.787 -7.328 -0.521) 8.769 5.663 ( 4.704 9.287 -7.238) 12.679 6.012 ( 4.049 7.481 15.684) 17.843 6.150 ( -4.659 -5.313 1.285) 7.182 6.552 ( -9.895 -4.193 -25.381) 27.563 6.665 ( -4.851 -8.506 -0.603) 9.811 6.888 ( -5.425 -6.001 1.080) 8.161 7.046 ( 10.829 7.616 -4.117) 13.864 7.491 ( -9.680 -14.141 1.382) 17.192 7.593 ( -10.544 -5.829 -0.402) 12.055 7.799 ( -5.327 0.774 2.154) 5.798 8.012 ( 1.105 -4.993 2.837) 5.848 8.472 ( -0.946 -2.897 1.856) 3.568 8.562 ( -2.217 -4.429 -6.676) 8.313 8.693 ( -0.643 -6.142 1.494) 6.353 9.320 ( 6.203 6.207 2.686) 9.177 9.613 ( -3.108 4.089 4.424) 6.779 10.060 ( 8.313 5.532 0.035) 9.985 10.311 ( 0.155 3.481 -0.644) 3.543 13.574 ( 6.882 -2.993 7.434) 10.564 13.799 ( 6.148 -2.838 -12.720) 14.410 14.093 ( -6.295 -5.700 3.275) 9.102 14.480 ( -13.150 -11.059 -6.280) 18.293 14.794 ( 2.481 2.205 -0.630) 3.378 14.935 ( -2.251 3.177 1.363) 4.125 15.246 ( 1.964 -2.413 1.198) 3.334 15.390 ( -4.590 -4.675 -0.949) 6.620 16.093 ( 14.168 13.103 2.895) 19.514 16.238 ( 13.641 14.256 -2.875) 19.940 16.704 ( -4.724 4.260 -1.302) 6.493 16.925 ( -5.808 5.456 -1.001) 8.032 17.057 ( 3.381 -1.878 -1.356) 4.099 17.583 ( -11.490 -5.241 -1.381) 12.705 18.380 ( 7.802 -0.471 -0.623) 7.841 18.651 ( 2.549 -4.888 19.963) 20.710 18.717 ( 2.583 2.669 -0.152) 3.717 19.148 ( -5.666 4.423 -13.139) 14.977 19.700 ( 0.866 -8.013 4.092) 9.039 20.172 ( -9.384 -13.122 -3.349) 16.476 20.469 ( 9.227 9.395 2.459) 13.396 20.927 ( 11.166 7.005 -2.452) 13.407 21.170 ( -7.376 5.350 2.401) 9.423 21.521 ( -6.655 -0.018 -2.081) 6.973 ======================= Grid point 280 (60/63) ======================= q-point: ( 0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 16.917 -7.956 1.504) 18.755 2.887 ( 4.685 -1.486 -2.048) 5.325 3.057 ( -0.306 -10.762 0.383) 10.773 3.148 ( -2.762 2.562 3.145) 4.908 3.730 ( 10.518 -4.030 5.771) 12.656 3.926 ( -3.020 -3.544 -3.874) 6.057 4.156 ( -6.509 -2.776 5.246) 8.809 4.189 ( -11.641 -9.310 3.583) 15.331 5.087 ( 5.867 4.817 -5.523) 9.387 5.202 ( -5.255 5.412 -3.167) 8.182 5.507 ( 8.384 8.567 15.312) 19.446 5.643 ( -5.344 8.117 7.254) 12.127 5.740 ( 15.206 0.686 0.255) 15.224 6.004 ( -10.091 4.997 1.692) 11.387 6.146 ( 8.793 -3.589 -7.598) 12.163 6.351 ( -11.186 -2.160 -19.461) 22.550 6.664 ( 4.027 -5.959 -1.746) 7.401 6.769 ( -6.204 -5.944 -1.325) 8.694 7.281 ( 11.560 -0.760 1.644) 11.701 7.392 ( 0.578 -5.340 -0.156) 5.373 7.421 ( -6.499 -11.145 0.869) 12.931 7.586 ( -13.547 7.084 1.625) 15.373 8.147 ( 9.885 -4.894 -1.482) 11.129 8.342 ( -9.753 -2.934 -2.200) 10.420 8.603 ( 3.639 -8.880 -0.397) 9.605 8.663 ( -2.476 -8.761 0.526) 9.120 9.438 ( 5.883 6.377 3.325) 9.291 9.539 ( -4.617 5.659 4.122) 8.387 10.199 ( 5.972 4.942 -0.133) 7.753 10.285 ( -2.962 4.275 -0.435) 5.219 13.736 ( 9.632 -6.436 6.251) 13.163 13.907 ( -4.124 -6.754 -0.277) 7.919 13.991 ( 5.363 -8.157 -6.147) 11.536 14.213 ( -13.837 -10.964 -8.416) 19.557 14.839 ( 2.298 2.218 0.201) 3.200 14.885 ( -2.615 3.068 0.865) 4.123 15.283 ( 1.958 -2.310 0.727) 3.114 15.324 ( -2.529 -2.541 -0.331) 3.601 16.357 ( 12.811 11.340 0.421) 17.114 16.513 ( 14.172 15.253 -0.988) 20.844 16.570 ( -9.129 7.865 -0.875) 12.081 16.760 ( -11.099 11.504 -0.286) 15.988 17.169 ( 8.043 -4.031 -2.241) 9.271 17.357 ( -11.327 -5.243 -1.972) 12.636 18.550 ( 8.599 -4.211 3.456) 10.180 18.658 ( -2.260 -5.495 13.816) 15.040 18.804 ( 6.471 5.789 1.109) 8.753 18.976 ( -10.684 5.925 -4.592) 13.052 19.779 ( 7.561 -13.898 -2.510) 16.020 19.964 ( -11.039 -15.890 -5.886) 20.224 20.711 ( 13.853 13.060 3.391) 19.338 20.957 ( -10.940 7.283 2.064) 13.303 21.170 ( 10.249 7.939 -1.170) 13.017 21.365 ( -9.471 2.970 -1.930) 10.111 ======================= Grid point 290 (61/63) ======================= q-point: ( 0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 5.695 5.695 3.924) 8.958 2.700 ( 7.652 7.652 -2.576) 11.123 2.953 ( -6.942 -6.942 0.114) 9.818 3.216 ( 1.986 1.986 6.152) 6.763 3.635 ( -0.005 -0.005 6.541) 6.541 3.858 ( -3.354 -3.354 -5.592) 7.333 4.218 ( -13.618 -13.618 7.208) 20.564 4.241 ( -7.819 -7.819 1.047) 11.107 5.097 ( 6.550 6.550 -4.513) 10.304 5.381 ( 0.827 0.827 -9.988) 10.056 5.494 ( 14.060 14.060 11.606) 23.024 5.542 ( 8.368 8.368 5.941) 13.241 5.853 ( 8.736 8.736 -11.388) 16.803 5.942 ( -5.915 -5.915 15.423) 17.545 6.216 ( 4.024 4.024 0.230) 5.695 6.483 ( -8.541 -8.541 -1.320) 12.151 6.488 ( -3.331 -3.331 -21.078) 21.598 6.755 ( -6.958 -6.958 -0.481) 9.851 7.133 ( -2.252 -2.252 1.120) 3.376 7.348 ( 3.076 3.076 -1.455) 4.586 7.410 ( -11.548 -11.548 1.503) 16.400 7.894 ( 5.106 5.106 -1.112) 7.307 7.897 ( -4.959 -4.959 4.456) 8.309 8.420 ( -1.861 -1.861 1.222) 2.902 8.480 ( -5.685 -5.685 -8.763) 11.892 8.556 ( -6.522 -6.522 3.094) 9.728 9.439 ( 5.985 5.985 2.904) 8.949 9.645 ( -0.295 -0.295 4.788) 4.806 10.184 ( 6.638 6.638 -0.040) 9.387 10.358 ( 1.268 1.268 -0.612) 1.894 13.561 ( 1.729 1.729 7.633) 8.015 13.787 ( 1.540 1.540 -13.165) 13.344 13.954 ( -8.367 -8.367 4.652) 12.714 14.243 ( -12.787 -12.787 -8.512) 19.987 14.839 ( 2.552 2.552 0.047) 3.610 14.978 ( 0.669 0.669 1.607) 1.865 15.214 ( -0.301 -0.301 0.537) 0.685 15.324 ( -2.484 -2.484 -0.559) 3.557 16.340 ( 12.220 12.220 0.244) 17.283 16.522 ( 14.557 14.557 -0.880) 20.606 16.742 ( -0.413 -0.413 -1.882) 1.971 16.982 ( 0.396 0.396 -3.125) 3.175 17.046 ( 0.818 0.818 0.944) 1.493 17.425 ( -10.054 -10.054 -1.753) 14.327 18.424 ( 4.517 4.517 0.339) 6.397 18.613 ( -0.097 -0.097 20.755) 20.755 18.801 ( 5.944 5.944 3.026) 8.934 19.221 ( 0.890 0.890 -15.026) 15.079 19.513 ( -7.831 -7.831 7.458) 13.352 19.907 ( -13.476 -13.476 -10.646) 21.830 20.702 ( 12.599 12.599 3.607) 18.179 21.019 ( 2.750 2.750 -1.559) 4.190 21.257 ( 3.712 3.712 2.719) 5.911 21.487 ( -3.246 -3.246 -2.010) 5.012 ======================= Grid point 291 (62/63) ======================= q-point: ( 0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 10.744 -6.078 0.278) 12.347 2.765 ( -10.939 -10.342 -0.538) 15.063 2.926 ( 13.816 -2.414 1.948) 14.160 3.163 ( -8.483 -2.415 3.019) 9.323 3.689 ( 5.727 0.021 9.318) 10.937 3.824 ( -4.108 -4.813 -2.841) 6.936 3.966 ( -4.772 -10.706 7.718) 14.034 4.070 ( -9.820 -8.180 -1.113) 12.829 5.242 ( 7.833 10.564 -3.799) 13.689 5.361 ( -3.730 10.187 -10.600) 15.168 5.658 ( 6.947 5.867 17.256) 19.505 5.782 ( -5.130 5.584 11.304) 13.612 5.836 ( 15.284 8.432 0.858) 17.476 6.079 ( 6.221 1.034 -10.898) 12.591 6.135 ( -7.090 4.372 -1.776) 8.517 6.297 ( -9.669 -3.503 -14.793) 18.016 6.533 ( 5.186 -6.750 -2.666) 8.920 6.636 ( -5.552 -7.243 -1.764) 9.295 7.084 ( 0.995 -11.184 2.871) 11.589 7.196 ( -9.719 -11.620 2.569) 15.365 7.509 ( 10.654 8.470 -1.109) 13.656 7.717 ( -10.573 5.621 1.117) 12.026 8.077 ( 10.715 -1.933 -1.658) 11.014 8.289 ( -10.995 -2.332 -2.602) 11.537 8.435 ( 1.353 -8.151 -0.994) 8.322 8.477 ( -2.811 -10.164 0.187) 10.547 9.542 ( 4.663 4.474 3.584) 7.390 9.614 ( -2.755 2.315 4.349) 5.645 10.295 ( 4.633 4.674 -0.168) 6.584 10.355 ( -1.657 2.852 -0.414) 3.324 13.638 ( 6.172 -3.566 7.315) 10.214 13.783 ( -8.196 -6.643 5.420) 11.861 13.863 ( 5.545 -4.325 -11.622) 13.585 14.018 ( -10.241 -8.926 -11.068) 17.523 14.893 ( 3.178 3.444 0.659) 4.732 14.954 ( -2.763 3.642 1.255) 4.741 15.238 ( 2.253 -2.368 0.168) 3.273 15.282 ( -2.188 -2.140 -0.041) 3.061 16.547 ( 9.200 8.470 -1.309) 12.574 16.683 ( -4.594 4.095 -1.872) 6.432 16.776 ( 10.483 11.512 -0.263) 15.572 16.933 ( -5.506 6.278 -0.982) 8.408 17.101 ( 5.096 -2.635 -1.079) 5.838 17.237 ( -8.902 -6.576 -1.864) 11.224 18.528 ( 5.491 1.398 7.410) 9.328 18.603 ( -1.879 -0.598 17.087) 17.201 18.937 ( 8.150 7.655 2.203) 11.397 19.113 ( -9.730 7.650 -4.556) 13.189 19.509 ( 5.929 -13.680 -4.270) 15.509 19.674 ( -10.687 -14.105 -10.799) 20.731 20.911 ( 8.721 7.479 2.514) 11.760 21.023 ( -2.764 1.029 0.168) 2.954 21.325 ( 3.919 7.072 1.012) 8.149 21.409 ( -4.563 1.932 -1.231) 5.105 ======================= Grid point 302 (63/63) ======================= q-point: ( 0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.899 0.899 -0.196) 1.287 2.581 ( -7.701 -7.701 -0.388) 10.898 2.937 ( 3.729 3.729 4.042) 6.644 3.055 ( -7.499 -7.499 3.732) 11.243 3.721 ( 2.837 2.837 8.104) 9.042 3.791 ( -0.461 -0.461 -9.043) 9.067 3.806 ( -3.474 -3.474 14.575) 15.381 3.901 ( -8.076 -8.076 -1.743) 11.553 5.443 ( 9.017 9.017 -7.100) 14.595 5.517 ( 3.262 3.262 -15.318) 15.998 5.730 ( 3.217 3.217 21.047) 21.533 5.805 ( -2.842 -2.842 17.203) 17.667 6.024 ( 10.073 10.073 -3.556) 14.682 6.138 ( 4.799 4.799 -9.991) 12.079 6.185 ( -2.986 -2.986 -14.098) 14.716 6.207 ( -4.538 -4.538 -2.283) 6.812 6.468 ( 0.731 0.731 -0.891) 1.364 6.519 ( -4.397 -4.397 -1.259) 6.345 6.929 ( -3.378 -3.378 3.145) 5.719 6.991 ( -8.707 -8.707 3.105) 12.699 7.663 ( 7.166 7.166 -1.261) 10.212 7.759 ( -1.943 -1.943 -0.421) 2.779 8.105 ( 5.309 5.309 -2.754) 7.998 8.239 ( -5.631 -5.631 -6.341) 10.180 8.299 ( -3.594 -3.594 3.633) 6.247 8.324 ( -4.499 -4.499 0.255) 6.368 9.608 ( 2.391 2.391 3.895) 5.158 9.633 ( -0.208 -0.208 4.199) 4.209 10.365 ( 2.518 2.518 -0.231) 3.569 10.387 ( 0.313 0.313 -0.331) 0.553 13.609 ( 0.688 0.688 7.488) 7.551 13.665 ( -4.972 -4.972 7.361) 10.180 13.831 ( 0.638 0.638 -12.960) 12.991 13.884 ( -4.935 -4.935 -12.608) 14.411 14.963 ( 3.412 3.412 1.213) 4.976 14.999 ( 0.325 0.325 1.642) 1.705 15.209 ( -0.039 -0.039 -0.327) 0.331 15.237 ( -2.402 -2.402 -0.116) 3.400 16.675 ( 4.670 4.670 -2.140) 6.942 16.721 ( -0.169 -0.169 -2.330) 2.342 16.943 ( 5.712 5.712 -1.121) 8.156 16.994 ( 0.183 0.183 -3.111) 3.121 17.083 ( 0.748 0.748 1.282) 1.662 17.129 ( -4.251 -4.251 -0.750) 6.059 18.575 ( 2.634 2.634 15.034) 15.489 18.604 ( -0.219 -0.219 19.691) 19.694 19.088 ( 8.277 8.277 -1.319) 11.779 19.246 ( 0.366 0.366 -13.985) 13.995 19.286 ( -3.328 -3.328 1.030) 4.818 19.436 ( -10.531 -10.531 -11.859) 19.038 21.001 ( 2.441 2.441 0.921) 3.573 21.026 ( -0.501 -0.501 -0.200) 0.736 21.420 ( 2.786 2.786 1.128) 4.098 21.438 ( 0.686 0.686 0.033) 0.971 =================== 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 3/32670 10.0 5827.522 5827.522 4847.147 -0.000 -0.000 0.000 3/32670 20.0 1922.333 1922.333 1322.828 -0.000 0.000 0.000 3/32670 30.0 799.372 799.372 565.300 -0.000 0.000 0.000 3/32670 40.0 414.335 414.335 303.738 -0.000 0.000 0.000 3/32670 50.0 250.785 250.785 191.411 -0.000 0.000 0.000 3/32670 60.0 169.692 169.692 134.236 -0.000 0.000 0.000 3/32670 70.0 124.480 124.480 101.362 -0.000 0.000 0.000 3/32670 80.0 96.820 96.820 80.637 -0.000 0.000 0.000 3/32670 90.0 78.585 78.585 66.597 -0.000 0.000 0.000 3/32670 100.0 65.819 65.819 56.530 -0.000 0.000 0.000 3/32670 110.0 56.444 56.444 48.986 -0.000 0.000 0.000 3/32670 120.0 49.294 49.294 43.132 -0.000 0.000 0.000 3/32670 130.0 43.674 43.674 38.466 -0.000 0.000 0.000 3/32670 140.0 39.149 39.149 34.664 -0.000 0.000 0.000 3/32670 150.0 35.435 35.435 31.512 -0.000 0.000 0.000 3/32670 160.0 32.338 32.338 28.861 -0.000 0.000 0.000 3/32670 170.0 29.720 29.720 26.604 -0.000 0.000 0.000 3/32670 180.0 27.482 27.482 24.662 -0.000 0.000 0.000 3/32670 190.0 25.550 25.550 22.977 -0.000 0.000 0.000 3/32670 200.0 23.868 23.868 21.501 -0.000 0.000 0.000 3/32670 210.0 22.391 22.391 20.201 -0.000 0.000 0.000 3/32670 220.0 21.085 21.085 19.047 -0.000 0.000 0.000 3/32670 230.0 19.924 19.924 18.016 -0.000 0.000 0.000 3/32670 240.0 18.884 18.884 17.092 -0.000 0.000 0.000 3/32670 250.0 17.949 17.949 16.257 -0.000 0.000 0.000 3/32670 260.0 17.103 17.103 15.501 -0.000 0.000 0.000 3/32670 270.0 16.336 16.336 14.813 -0.000 0.000 0.000 3/32670 280.0 15.635 15.635 14.184 -0.000 0.000 0.000 3/32670 290.0 14.994 14.994 13.607 -0.000 0.000 0.000 3/32670 300.0 14.404 14.404 13.076 -0.000 0.000 0.000 3/32670 310.0 13.860 13.860 12.586 -0.000 0.000 0.000 3/32670 320.0 13.358 13.358 12.132 -0.000 0.000 0.000 3/32670 330.0 12.891 12.891 11.710 -0.000 0.000 0.000 3/32670 340.0 12.457 12.457 11.317 -0.000 0.000 0.000 3/32670 350.0 12.052 12.052 10.951 -0.000 0.000 0.000 3/32670 360.0 11.673 11.673 10.608 -0.000 0.000 0.000 3/32670 370.0 11.319 11.319 10.286 -0.000 0.000 0.000 3/32670 380.0 10.986 10.986 9.984 -0.000 0.000 0.000 3/32670 390.0 10.672 10.672 9.699 -0.000 0.000 0.000 3/32670 400.0 10.377 10.377 9.431 -0.000 0.000 0.000 3/32670 410.0 10.097 10.097 9.178 -0.000 0.000 0.000 3/32670 420.0 9.833 9.833 8.938 -0.000 0.000 0.000 3/32670 430.0 9.583 9.583 8.710 -0.000 0.000 0.000 3/32670 440.0 9.346 9.346 8.495 -0.000 0.000 0.000 3/32670 450.0 9.120 9.120 8.289 -0.000 0.000 0.000 3/32670 460.0 8.906 8.906 8.094 -0.000 0.000 0.000 3/32670 470.0 8.701 8.701 7.908 -0.000 0.000 0.000 3/32670 480.0 8.506 8.506 7.731 -0.000 0.000 0.000 3/32670 490.0 8.320 8.320 7.561 -0.000 0.000 0.000 3/32670 500.0 8.142 8.142 7.399 -0.000 0.000 0.000 3/32670 510.0 7.972 7.972 7.244 -0.000 0.000 0.000 3/32670 520.0 7.809 7.809 7.096 -0.000 0.000 0.000 3/32670 530.0 7.652 7.652 6.953 -0.000 0.000 0.000 3/32670 540.0 7.502 7.502 6.817 -0.000 0.000 0.000 3/32670 550.0 7.358 7.358 6.685 -0.000 0.000 0.000 3/32670 560.0 7.219 7.219 6.559 -0.000 0.000 0.000 3/32670 570.0 7.085 7.085 6.438 -0.000 0.000 0.000 3/32670 580.0 6.957 6.957 6.321 -0.000 0.000 0.000 3/32670 590.0 6.833 6.833 6.208 -0.000 0.000 0.000 3/32670 600.0 6.714 6.714 6.099 -0.000 0.000 0.000 3/32670 610.0 6.598 6.598 5.994 -0.000 0.000 0.000 3/32670 620.0 6.487 6.487 5.893 -0.000 0.000 0.000 3/32670 630.0 6.380 6.380 5.795 -0.000 0.000 0.000 3/32670 640.0 6.276 6.276 5.701 -0.000 0.000 0.000 3/32670 650.0 6.175 6.175 5.609 -0.000 0.000 0.000 3/32670 660.0 6.078 6.078 5.521 -0.000 0.000 0.000 3/32670 670.0 5.984 5.984 5.435 -0.000 0.000 0.000 3/32670 680.0 5.892 5.892 5.352 -0.000 0.000 0.000 3/32670 690.0 5.804 5.804 5.271 -0.000 0.000 0.000 3/32670 700.0 5.718 5.718 5.193 -0.000 0.000 0.000 3/32670 710.0 5.635 5.635 5.117 -0.000 0.000 0.000 3/32670 720.0 5.554 5.554 5.044 -0.000 0.000 0.000 3/32670 730.0 5.475 5.475 4.972 -0.000 0.000 0.000 3/32670 740.0 5.399 5.399 4.903 -0.000 0.000 0.000 3/32670 750.0 5.325 5.325 4.835 -0.000 0.000 0.000 3/32670 760.0 5.252 5.252 4.770 -0.000 0.000 0.000 3/32670 770.0 5.182 5.182 4.706 -0.000 0.000 0.000 3/32670 780.0 5.114 5.114 4.644 -0.000 0.000 0.000 3/32670 790.0 5.047 5.047 4.583 -0.000 0.000 0.000 3/32670 800.0 4.983 4.983 4.524 -0.000 0.000 0.000 3/32670 810.0 4.919 4.919 4.467 -0.000 0.000 0.000 3/32670 820.0 4.858 4.858 4.411 -0.000 0.000 0.000 3/32670 830.0 4.798 4.798 4.356 -0.000 0.000 0.000 3/32670 840.0 4.739 4.739 4.303 -0.000 0.000 0.000 3/32670 850.0 4.682 4.682 4.251 -0.000 0.000 0.000 3/32670 860.0 4.627 4.627 4.200 -0.000 0.000 0.000 3/32670 870.0 4.572 4.572 4.151 -0.000 0.000 0.000 3/32670 880.0 4.519 4.519 4.103 -0.000 0.000 0.000 3/32670 890.0 4.467 4.467 4.056 -0.000 0.000 0.000 3/32670 900.0 4.416 4.416 4.009 -0.000 0.000 0.000 3/32670 910.0 4.367 4.367 3.964 -0.000 0.000 0.000 3/32670 920.0 4.318 4.318 3.920 -0.000 0.000 0.000 3/32670 930.0 4.271 4.271 3.877 -0.000 0.000 0.000 3/32670 940.0 4.225 4.225 3.835 -0.000 0.000 0.000 3/32670 950.0 4.179 4.179 3.794 -0.000 0.000 0.000 3/32670 960.0 4.135 4.135 3.754 -0.000 0.000 0.000 3/32670 970.0 4.092 4.092 3.714 -0.000 0.000 0.000 3/32670 980.0 4.049 4.049 3.676 -0.000 0.000 0.000 3/32670 990.0 4.008 4.008 3.638 -0.000 0.000 0.000 3/32670 1000.0 3.967 3.967 3.601 -0.000 0.000 0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:21:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|