----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:11:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803258180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.776857260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): *1 Hf 0.50225585888361 0.34904757161191 0.08417980933051 178.490 *2 Hf 0.50000000000000 0.02512128183841 0.25000000000000 178.490 3 Hf 0.49774414111639 0.34904757161191 0.41582019066949 178.490 4 Hf 0.50000000000000 0.97487871816159 0.75000000000000 178.490 5 Hf 0.50225585888361 0.65095242838809 0.58417980933051 178.490 6 Hf 0.49774414111639 0.65095242838809 0.91582019066949 178.490 7 Hf 0.99774414111639 0.15095242838809 0.58417980933051 178.490 8 Hf 0.00000000000000 0.52512128183841 0.25000000000000 178.490 9 Hf 0.00225585888361 0.15095242838809 0.91582019066949 178.490 10 Hf 0.00000000000000 0.47487871816159 0.75000000000000 178.490 11 Hf 0.00225585888361 0.84904757161191 0.41582019066949 178.490 12 Hf 0.99774414111639 0.84904757161191 0.08417980933051 178.490 *13 O 0.70567320638604 0.62927178480105 0.03003940436037 15.999 14 O 0.70567320638604 0.37072821519895 0.53003940436037 15.999 *15 O 0.77902215826973 0.18971199649036 0.69575162680398 15.999 16 O 0.77902215826973 0.81028800350964 0.19575162680398 15.999 *17 O 0.71385927781839 0.07448906713057 0.36211405864533 15.999 18 O 0.71385927781839 0.92551093286943 0.86211405864533 15.999 19 O 0.78614072218161 0.57448906713057 0.36211405864533 15.999 20 O 0.78614072218161 0.42551093286943 0.86211405864533 15.999 21 O 0.72097784173027 0.31028800350964 0.19575162680398 15.999 22 O 0.72097784173027 0.68971199649036 0.69575162680398 15.999 23 O 0.79432679361396 0.12927178480105 0.03003940436037 15.999 24 O 0.79432679361396 0.87072821519895 0.53003940436037 15.999 25 O 0.20567320638604 0.87072821519895 0.96996059563963 15.999 26 O 0.20567320638604 0.12927178480105 0.46996059563963 15.999 27 O 0.27902215826973 0.31028800350964 0.30424837319602 15.999 28 O 0.27902215826973 0.68971199649036 0.80424837319602 15.999 29 O 0.21385927781840 0.42551093286943 0.63788594135467 15.999 30 O 0.21385927781840 0.57448906713057 0.13788594135467 15.999 31 O 0.28614072218161 0.92551093286943 0.63788594135467 15.999 32 O 0.28614072218161 0.07448906713057 0.13788594135467 15.999 33 O 0.22097784173027 0.18971199649036 0.80424837319602 15.999 34 O 0.22097784173027 0.81028800350964 0.30424837319602 15.999 35 O 0.29432679361396 0.37072821519895 0.96996059563963 15.999 36 O 0.29432679361396 0.62927178480105 0.46996059563963 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.803258180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.776857260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): *1 Hf 0.50225585888361 0.34904757161191 0.08417980933051 178.490 > 1 *2 Hf 0.50000000000000 0.02512128183841 0.25000000000000 178.490 > 2 3 Hf 0.49774414111639 0.34904757161191 0.41582019066949 178.490 > 3 4 Hf 0.50000000000000 0.97487871816159 0.75000000000000 178.490 > 4 5 Hf 0.50225585888361 0.65095242838809 0.58417980933051 178.490 > 5 6 Hf 0.49774414111639 0.65095242838809 0.91582019066949 178.490 > 6 7 Hf 0.99774414111639 0.15095242838809 0.58417980933051 178.490 > 7 8 Hf 0.00000000000000 0.52512128183841 0.25000000000000 178.490 > 8 9 Hf 0.00225585888361 0.15095242838809 0.91582019066949 178.490 > 9 10 Hf 0.00000000000000 0.47487871816159 0.75000000000000 178.490 > 10 11 Hf 0.00225585888361 0.84904757161191 0.41582019066949 178.490 > 11 12 Hf 0.99774414111639 0.84904757161191 0.08417980933051 178.490 > 12 *13 O 0.70567320638604 0.62927178480105 0.03003940436037 15.999 > 13 14 O 0.70567320638604 0.37072821519895 0.53003940436037 15.999 > 14 *15 O 0.77902215826973 0.18971199649036 0.69575162680398 15.999 > 15 16 O 0.77902215826973 0.81028800350964 0.19575162680398 15.999 > 16 *17 O 0.71385927781839 0.07448906713057 0.36211405864533 15.999 > 17 18 O 0.71385927781839 0.92551093286943 0.86211405864533 15.999 > 18 19 O 0.78614072218161 0.57448906713057 0.36211405864533 15.999 > 19 20 O 0.78614072218161 0.42551093286943 0.86211405864533 15.999 > 20 21 O 0.72097784173027 0.31028800350964 0.19575162680398 15.999 > 21 22 O 0.72097784173027 0.68971199649036 0.69575162680398 15.999 > 22 23 O 0.79432679361396 0.12927178480105 0.03003940436037 15.999 > 23 24 O 0.79432679361396 0.87072821519895 0.53003940436037 15.999 > 24 25 O 0.20567320638604 0.87072821519895 0.96996059563963 15.999 > 25 26 O 0.20567320638604 0.12927178480105 0.46996059563963 15.999 > 26 27 O 0.27902215826973 0.31028800350964 0.30424837319602 15.999 > 27 28 O 0.27902215826973 0.68971199649036 0.80424837319602 15.999 > 28 29 O 0.21385927781840 0.42551093286943 0.63788594135467 15.999 > 29 30 O 0.21385927781840 0.57448906713057 0.13788594135467 15.999 > 30 31 O 0.28614072218161 0.92551093286943 0.63788594135467 15.999 > 31 32 O 0.28614072218161 0.07448906713057 0.13788594135467 15.999 > 32 33 O 0.22097784173027 0.18971199649036 0.80424837319602 15.999 > 33 34 O 0.22097784173027 0.81028800350964 0.30424837319602 15.999 > 34 35 O 0.29432679361396 0.37072821519895 0.96996059563963 15.999 > 35 36 O 0.29432679361396 0.62927178480105 0.46996059563963 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.606516360000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.553714520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): *1 Hf 0.25112792944181 0.17452378580596 0.08417980933051 178.490 > 1 2 Hf 0.75112792944181 0.17452378580596 0.08417980933051 178.490 > 1 3 Hf 0.25112792944181 0.67452378580596 0.08417980933051 178.490 > 1 4 Hf 0.75112792944181 0.67452378580596 0.08417980933051 178.490 > 1 *5 Hf 0.25000000000000 0.01256064091920 0.25000000000000 178.490 > 2 6 Hf 0.75000000000000 0.01256064091920 0.25000000000000 178.490 > 2 7 Hf 0.25000000000000 0.51256064091920 0.25000000000000 178.490 > 2 8 Hf 0.75000000000000 0.51256064091920 0.25000000000000 178.490 > 2 9 Hf 0.24887207055819 0.17452378580596 0.41582019066949 178.490 > 3 10 Hf 0.74887207055819 0.17452378580596 0.41582019066949 178.490 > 3 11 Hf 0.24887207055819 0.67452378580596 0.41582019066949 178.490 > 3 12 Hf 0.74887207055819 0.67452378580596 0.41582019066949 178.490 > 3 13 Hf 0.25000000000000 0.48743935908080 0.75000000000000 178.490 > 4 14 Hf 0.75000000000000 0.48743935908080 0.75000000000000 178.490 > 4 15 Hf 0.25000000000000 0.98743935908080 0.75000000000000 178.490 > 4 16 Hf 0.75000000000000 0.98743935908080 0.75000000000000 178.490 > 4 17 Hf 0.25112792944181 0.32547621419404 0.58417980933051 178.490 > 5 18 Hf 0.75112792944181 0.32547621419404 0.58417980933051 178.490 > 5 19 Hf 0.25112792944181 0.82547621419404 0.58417980933051 178.490 > 5 20 Hf 0.75112792944181 0.82547621419404 0.58417980933051 178.490 > 5 21 Hf 0.24887207055819 0.32547621419404 0.91582019066949 178.490 > 6 22 Hf 0.74887207055819 0.32547621419404 0.91582019066949 178.490 > 6 23 Hf 0.24887207055819 0.82547621419404 0.91582019066949 178.490 > 6 24 Hf 0.74887207055819 0.82547621419404 0.91582019066949 178.490 > 6 25 Hf 0.49887207055819 0.07547621419404 0.58417980933051 178.490 > 7 26 Hf 0.99887207055819 0.07547621419404 0.58417980933051 178.490 > 7 27 Hf 0.49887207055819 0.57547621419404 0.58417980933051 178.490 > 7 28 Hf 0.99887207055819 0.57547621419404 0.58417980933051 178.490 > 7 29 Hf 0.00000000000000 0.26256064091920 0.25000000000000 178.490 > 8 30 Hf 0.50000000000000 0.26256064091920 0.25000000000000 178.490 > 8 31 Hf 0.00000000000000 0.76256064091920 0.25000000000000 178.490 > 8 32 Hf 0.50000000000000 0.76256064091920 0.25000000000000 178.490 > 8 33 Hf 0.00112792944181 0.07547621419404 0.91582019066949 178.490 > 9 34 Hf 0.50112792944181 0.07547621419404 0.91582019066949 178.490 > 9 35 Hf 0.00112792944181 0.57547621419404 0.91582019066949 178.490 > 9 36 Hf 0.50112792944181 0.57547621419404 0.91582019066949 178.490 > 9 37 Hf 0.00000000000000 0.23743935908080 0.75000000000000 178.490 > 10 38 Hf 0.50000000000000 0.23743935908080 0.75000000000000 178.490 > 10 39 Hf 0.00000000000000 0.73743935908080 0.75000000000000 178.490 > 10 40 Hf 0.50000000000000 0.73743935908080 0.75000000000000 178.490 > 10 41 Hf 0.00112792944181 0.42452378580596 0.41582019066949 178.490 > 11 42 Hf 0.50112792944181 0.42452378580596 0.41582019066949 178.490 > 11 43 Hf 0.00112792944181 0.92452378580596 0.41582019066949 178.490 > 11 44 Hf 0.50112792944181 0.92452378580596 0.41582019066949 178.490 > 11 45 Hf 0.49887207055819 0.42452378580596 0.08417980933051 178.490 > 12 46 Hf 0.99887207055819 0.42452378580596 0.08417980933051 178.490 > 12 47 Hf 0.49887207055819 0.92452378580596 0.08417980933051 178.490 > 12 48 Hf 0.99887207055819 0.92452378580596 0.08417980933051 178.490 > 12 *49 O 0.35283660319302 0.31463589240052 0.03003940436037 15.999 > 13 50 O 0.85283660319302 0.31463589240052 0.03003940436037 15.999 > 13 51 O 0.35283660319302 0.81463589240052 0.03003940436037 15.999 > 13 52 O 0.85283660319302 0.81463589240052 0.03003940436037 15.999 > 13 53 O 0.35283660319302 0.18536410759948 0.53003940436037 15.999 > 14 54 O 0.85283660319302 0.18536410759948 0.53003940436037 15.999 > 14 55 O 0.35283660319302 0.68536410759948 0.53003940436037 15.999 > 14 56 O 0.85283660319302 0.68536410759948 0.53003940436037 15.999 > 14 *57 O 0.38951107913487 0.09485599824518 0.69575162680398 15.999 > 15 58 O 0.88951107913487 0.09485599824518 0.69575162680398 15.999 > 15 59 O 0.38951107913487 0.59485599824518 0.69575162680398 15.999 > 15 60 O 0.88951107913487 0.59485599824518 0.69575162680398 15.999 > 15 61 O 0.38951107913487 0.40514400175482 0.19575162680398 15.999 > 16 62 O 0.88951107913487 0.40514400175482 0.19575162680398 15.999 > 16 63 O 0.38951107913487 0.90514400175482 0.19575162680398 15.999 > 16 64 O 0.88951107913487 0.90514400175482 0.19575162680398 15.999 > 16 *65 O 0.35692963890920 0.03724453356529 0.36211405864533 15.999 > 17 66 O 0.85692963890920 0.03724453356529 0.36211405864533 15.999 > 17 67 O 0.35692963890920 0.53724453356529 0.36211405864533 15.999 > 17 68 O 0.85692963890920 0.53724453356529 0.36211405864533 15.999 > 17 69 O 0.35692963890920 0.46275546643471 0.86211405864533 15.999 > 18 70 O 0.85692963890920 0.46275546643471 0.86211405864533 15.999 > 18 71 O 0.35692963890920 0.96275546643471 0.86211405864533 15.999 > 18 72 O 0.85692963890920 0.96275546643471 0.86211405864533 15.999 > 18 73 O 0.39307036109080 0.28724453356529 0.36211405864533 15.999 > 19 74 O 0.89307036109080 0.28724453356529 0.36211405864533 15.999 > 19 75 O 0.39307036109080 0.78724453356529 0.36211405864533 15.999 > 19 76 O 0.89307036109080 0.78724453356529 0.36211405864533 15.999 > 19 77 O 0.39307036109080 0.21275546643471 0.86211405864533 15.999 > 20 78 O 0.89307036109080 0.21275546643471 0.86211405864533 15.999 > 20 79 O 0.39307036109080 0.71275546643471 0.86211405864533 15.999 > 20 80 O 0.89307036109080 0.71275546643471 0.86211405864533 15.999 > 20 81 O 0.36048892086513 0.15514400175482 0.19575162680398 15.999 > 21 82 O 0.86048892086513 0.15514400175482 0.19575162680398 15.999 > 21 83 O 0.36048892086513 0.65514400175482 0.19575162680398 15.999 > 21 84 O 0.86048892086513 0.65514400175482 0.19575162680398 15.999 > 21 85 O 0.36048892086513 0.34485599824518 0.69575162680398 15.999 > 22 86 O 0.86048892086513 0.34485599824518 0.69575162680398 15.999 > 22 87 O 0.36048892086513 0.84485599824518 0.69575162680398 15.999 > 22 88 O 0.86048892086513 0.84485599824518 0.69575162680398 15.999 > 22 89 O 0.39716339680698 0.06463589240052 0.03003940436037 15.999 > 23 90 O 0.89716339680698 0.06463589240052 0.03003940436037 15.999 > 23 91 O 0.39716339680698 0.56463589240052 0.03003940436037 15.999 > 23 92 O 0.89716339680698 0.56463589240052 0.03003940436037 15.999 > 23 93 O 0.39716339680698 0.43536410759948 0.53003940436037 15.999 > 24 94 O 0.89716339680698 0.43536410759948 0.53003940436037 15.999 > 24 95 O 0.39716339680698 0.93536410759948 0.53003940436037 15.999 > 24 96 O 0.89716339680698 0.93536410759948 0.53003940436037 15.999 > 24 97 O 0.10283660319302 0.43536410759948 0.96996059563963 15.999 > 25 98 O 0.60283660319302 0.43536410759948 0.96996059563963 15.999 > 25 99 O 0.10283660319302 0.93536410759948 0.96996059563963 15.999 > 25 100 O 0.60283660319302 0.93536410759948 0.96996059563963 15.999 > 25 101 O 0.10283660319302 0.06463589240052 0.46996059563963 15.999 > 26 102 O 0.60283660319302 0.06463589240052 0.46996059563963 15.999 > 26 103 O 0.10283660319302 0.56463589240052 0.46996059563963 15.999 > 26 104 O 0.60283660319302 0.56463589240052 0.46996059563963 15.999 > 26 105 O 0.13951107913487 0.15514400175482 0.30424837319602 15.999 > 27 106 O 0.63951107913487 0.15514400175482 0.30424837319602 15.999 > 27 107 O 0.13951107913487 0.65514400175482 0.30424837319602 15.999 > 27 108 O 0.63951107913487 0.65514400175482 0.30424837319602 15.999 > 27 109 O 0.13951107913487 0.34485599824518 0.80424837319602 15.999 > 28 110 O 0.63951107913487 0.34485599824518 0.80424837319602 15.999 > 28 111 O 0.13951107913487 0.84485599824518 0.80424837319602 15.999 > 28 112 O 0.63951107913487 0.84485599824518 0.80424837319602 15.999 > 28 113 O 0.10692963890920 0.21275546643471 0.63788594135467 15.999 > 29 114 O 0.60692963890920 0.21275546643471 0.63788594135467 15.999 > 29 115 O 0.10692963890920 0.71275546643471 0.63788594135467 15.999 > 29 116 O 0.60692963890920 0.71275546643471 0.63788594135467 15.999 > 29 117 O 0.10692963890920 0.28724453356529 0.13788594135467 15.999 > 30 118 O 0.60692963890920 0.28724453356529 0.13788594135467 15.999 > 30 119 O 0.10692963890920 0.78724453356529 0.13788594135467 15.999 > 30 120 O 0.60692963890920 0.78724453356529 0.13788594135467 15.999 > 30 121 O 0.14307036109080 0.46275546643471 0.63788594135467 15.999 > 31 122 O 0.64307036109080 0.46275546643471 0.63788594135467 15.999 > 31 123 O 0.14307036109080 0.96275546643471 0.63788594135467 15.999 > 31 124 O 0.64307036109080 0.96275546643471 0.63788594135467 15.999 > 31 125 O 0.14307036109080 0.03724453356529 0.13788594135467 15.999 > 32 126 O 0.64307036109080 0.03724453356529 0.13788594135467 15.999 > 32 127 O 0.14307036109080 0.53724453356529 0.13788594135467 15.999 > 32 128 O 0.64307036109080 0.53724453356529 0.13788594135467 15.999 > 32 129 O 0.11048892086513 0.09485599824518 0.80424837319602 15.999 > 33 130 O 0.61048892086513 0.09485599824518 0.80424837319602 15.999 > 33 131 O 0.11048892086513 0.59485599824518 0.80424837319602 15.999 > 33 132 O 0.61048892086513 0.59485599824518 0.80424837319602 15.999 > 33 133 O 0.11048892086513 0.40514400175482 0.30424837319602 15.999 > 34 134 O 0.61048892086513 0.40514400175482 0.30424837319602 15.999 > 34 135 O 0.11048892086513 0.90514400175482 0.30424837319602 15.999 > 34 136 O 0.61048892086513 0.90514400175482 0.30424837319602 15.999 > 34 137 O 0.14716339680698 0.18536410759948 0.96996059563963 15.999 > 35 138 O 0.64716339680698 0.18536410759948 0.96996059563963 15.999 > 35 139 O 0.14716339680698 0.68536410759948 0.96996059563963 15.999 > 35 140 O 0.64716339680698 0.68536410759948 0.96996059563963 15.999 > 35 141 O 0.14716339680698 0.31463589240052 0.46996059563963 15.999 > 36 142 O 0.64716339680698 0.31463589240052 0.46996059563963 15.999 > 36 143 O 0.14716339680698 0.81463589240052 0.46996059563963 15.999 > 36 144 O 0.64716339680698 0.81463589240052 0.46996059563963 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5642068 0.0000000 0.0000000 0.0000000 4.6812865 0.0000000 0.0000000 0.0000000 4.9392675 -------------------------- Born effective charges -------------------------- 1 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 2 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 3 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 4 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 5 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 6 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 7 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 8 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 9 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 10 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 11 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 12 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 13 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 14 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 15 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 16 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 17 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 18 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 19 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 20 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 21 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 22 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 23 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 24 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 25 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 26 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 27 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 28 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 29 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 30 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 31 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 32 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 33 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 34 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 35 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 36 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 145 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 7), data: (652, 17) @ (17, 7) |-- (152, 145), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.102 Solver_block: 200 / 560 - Time: 1.055 Solver_block: 300 / 560 - Time: 1.077 Solver_block: 400 / 560 - Time: 1.065 Solver_block: 500 / 560 - Time: 1.087 Solver_block: 560 / 560 - Time: 0.695 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.207 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 145 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 7), data: (652, 17) @ (17, 7) |-- (152, 145), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), 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 2026-01-09 03:11:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:11:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803258180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.776857260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): 1 Hf 0.50225585888361 0.34904757161191 0.08417980933051 178.490 2 Hf 0.50000000000000 0.02512128183841 0.25000000000000 178.490 3 Hf 0.49774414111639 0.34904757161191 0.41582019066949 178.490 4 Hf 0.50000000000000 0.97487871816159 0.75000000000000 178.490 5 Hf 0.50225585888361 0.65095242838809 0.58417980933051 178.490 6 Hf 0.49774414111639 0.65095242838809 0.91582019066949 178.490 7 Hf 0.99774414111639 0.15095242838809 0.58417980933051 178.490 8 Hf 0.00000000000000 0.52512128183841 0.25000000000000 178.490 9 Hf 0.00225585888361 0.15095242838809 0.91582019066949 178.490 10 Hf 0.00000000000000 0.47487871816159 0.75000000000000 178.490 11 Hf 0.00225585888361 0.84904757161191 0.41582019066949 178.490 12 Hf 0.99774414111639 0.84904757161191 0.08417980933051 178.490 13 O 0.70567320638604 0.62927178480105 0.03003940436037 15.999 14 O 0.70567320638604 0.37072821519895 0.53003940436037 15.999 15 O 0.77902215826973 0.18971199649036 0.69575162680398 15.999 16 O 0.77902215826973 0.81028800350964 0.19575162680398 15.999 17 O 0.71385927781839 0.07448906713057 0.36211405864533 15.999 18 O 0.71385927781839 0.92551093286943 0.86211405864533 15.999 19 O 0.78614072218161 0.57448906713057 0.36211405864533 15.999 20 O 0.78614072218161 0.42551093286943 0.86211405864533 15.999 21 O 0.72097784173027 0.31028800350964 0.19575162680398 15.999 22 O 0.72097784173027 0.68971199649036 0.69575162680398 15.999 23 O 0.79432679361396 0.12927178480105 0.03003940436037 15.999 24 O 0.79432679361396 0.87072821519895 0.53003940436037 15.999 25 O 0.20567320638604 0.87072821519895 0.96996059563963 15.999 26 O 0.20567320638604 0.12927178480105 0.46996059563963 15.999 27 O 0.27902215826973 0.31028800350964 0.30424837319602 15.999 28 O 0.27902215826973 0.68971199649036 0.80424837319602 15.999 29 O 0.21385927781840 0.42551093286943 0.63788594135467 15.999 30 O 0.21385927781840 0.57448906713057 0.13788594135467 15.999 31 O 0.28614072218161 0.92551093286943 0.63788594135467 15.999 32 O 0.28614072218161 0.07448906713057 0.13788594135467 15.999 33 O 0.22097784173027 0.18971199649036 0.80424837319602 15.999 34 O 0.22097784173027 0.81028800350964 0.30424837319602 15.999 35 O 0.29432679361396 0.37072821519895 0.96996059563963 15.999 36 O 0.29432679361396 0.62927178480105 0.46996059563963 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.606516360000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.553714520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): 1 Hf 0.25112792944181 0.17452378580596 0.08417980933051 178.490 > 1 2 Hf 0.75112792944181 0.17452378580596 0.08417980933051 178.490 > 1 3 Hf 0.25112792944181 0.67452378580596 0.08417980933051 178.490 > 1 4 Hf 0.75112792944181 0.67452378580596 0.08417980933051 178.490 > 1 5 Hf 0.25000000000000 0.01256064091920 0.25000000000000 178.490 > 5 6 Hf 0.75000000000000 0.01256064091920 0.25000000000000 178.490 > 5 7 Hf 0.25000000000000 0.51256064091920 0.25000000000000 178.490 > 5 8 Hf 0.75000000000000 0.51256064091920 0.25000000000000 178.490 > 5 9 Hf 0.24887207055819 0.17452378580596 0.41582019066949 178.490 > 9 10 Hf 0.74887207055819 0.17452378580596 0.41582019066949 178.490 > 9 11 Hf 0.24887207055819 0.67452378580596 0.41582019066949 178.490 > 9 12 Hf 0.74887207055819 0.67452378580596 0.41582019066949 178.490 > 9 13 Hf 0.25000000000000 0.48743935908080 0.75000000000000 178.490 > 13 14 Hf 0.75000000000000 0.48743935908080 0.75000000000000 178.490 > 13 15 Hf 0.25000000000000 0.98743935908080 0.75000000000000 178.490 > 13 16 Hf 0.75000000000000 0.98743935908080 0.75000000000000 178.490 > 13 17 Hf 0.25112792944181 0.32547621419404 0.58417980933051 178.490 > 17 18 Hf 0.75112792944181 0.32547621419404 0.58417980933051 178.490 > 17 19 Hf 0.25112792944181 0.82547621419404 0.58417980933051 178.490 > 17 20 Hf 0.75112792944181 0.82547621419404 0.58417980933051 178.490 > 17 21 Hf 0.24887207055819 0.32547621419404 0.91582019066949 178.490 > 21 22 Hf 0.74887207055819 0.32547621419404 0.91582019066949 178.490 > 21 23 Hf 0.24887207055819 0.82547621419404 0.91582019066949 178.490 > 21 24 Hf 0.74887207055819 0.82547621419404 0.91582019066949 178.490 > 21 25 Hf 0.49887207055819 0.07547621419404 0.58417980933051 178.490 > 25 26 Hf 0.99887207055819 0.07547621419404 0.58417980933051 178.490 > 25 27 Hf 0.49887207055819 0.57547621419404 0.58417980933051 178.490 > 25 28 Hf 0.99887207055819 0.57547621419404 0.58417980933051 178.490 > 25 29 Hf 0.00000000000000 0.26256064091920 0.25000000000000 178.490 > 29 30 Hf 0.50000000000000 0.26256064091920 0.25000000000000 178.490 > 29 31 Hf 0.00000000000000 0.76256064091920 0.25000000000000 178.490 > 29 32 Hf 0.50000000000000 0.76256064091920 0.25000000000000 178.490 > 29 33 Hf 0.00112792944181 0.07547621419404 0.91582019066949 178.490 > 33 34 Hf 0.50112792944181 0.07547621419404 0.91582019066949 178.490 > 33 35 Hf 0.00112792944181 0.57547621419404 0.91582019066949 178.490 > 33 36 Hf 0.50112792944181 0.57547621419404 0.91582019066949 178.490 > 33 37 Hf 0.00000000000000 0.23743935908080 0.75000000000000 178.490 > 37 38 Hf 0.50000000000000 0.23743935908080 0.75000000000000 178.490 > 37 39 Hf 0.00000000000000 0.73743935908080 0.75000000000000 178.490 > 37 40 Hf 0.50000000000000 0.73743935908080 0.75000000000000 178.490 > 37 41 Hf 0.00112792944181 0.42452378580596 0.41582019066949 178.490 > 41 42 Hf 0.50112792944181 0.42452378580596 0.41582019066949 178.490 > 41 43 Hf 0.00112792944181 0.92452378580596 0.41582019066949 178.490 > 41 44 Hf 0.50112792944181 0.92452378580596 0.41582019066949 178.490 > 41 45 Hf 0.49887207055819 0.42452378580596 0.08417980933051 178.490 > 45 46 Hf 0.99887207055819 0.42452378580596 0.08417980933051 178.490 > 45 47 Hf 0.49887207055819 0.92452378580596 0.08417980933051 178.490 > 45 48 Hf 0.99887207055819 0.92452378580596 0.08417980933051 178.490 > 45 49 O 0.35283660319302 0.31463589240052 0.03003940436037 15.999 > 49 50 O 0.85283660319302 0.31463589240052 0.03003940436037 15.999 > 49 51 O 0.35283660319302 0.81463589240052 0.03003940436037 15.999 > 49 52 O 0.85283660319302 0.81463589240052 0.03003940436037 15.999 > 49 53 O 0.35283660319302 0.18536410759948 0.53003940436037 15.999 > 53 54 O 0.85283660319302 0.18536410759948 0.53003940436037 15.999 > 53 55 O 0.35283660319302 0.68536410759948 0.53003940436037 15.999 > 53 56 O 0.85283660319302 0.68536410759948 0.53003940436037 15.999 > 53 57 O 0.38951107913487 0.09485599824518 0.69575162680398 15.999 > 57 58 O 0.88951107913487 0.09485599824518 0.69575162680398 15.999 > 57 59 O 0.38951107913487 0.59485599824518 0.69575162680398 15.999 > 57 60 O 0.88951107913487 0.59485599824518 0.69575162680398 15.999 > 57 61 O 0.38951107913487 0.40514400175482 0.19575162680398 15.999 > 61 62 O 0.88951107913487 0.40514400175482 0.19575162680398 15.999 > 61 63 O 0.38951107913487 0.90514400175482 0.19575162680398 15.999 > 61 64 O 0.88951107913487 0.90514400175482 0.19575162680398 15.999 > 61 65 O 0.35692963890920 0.03724453356529 0.36211405864533 15.999 > 65 66 O 0.85692963890920 0.03724453356529 0.36211405864533 15.999 > 65 67 O 0.35692963890920 0.53724453356529 0.36211405864533 15.999 > 65 68 O 0.85692963890920 0.53724453356529 0.36211405864533 15.999 > 65 69 O 0.35692963890920 0.46275546643471 0.86211405864533 15.999 > 69 70 O 0.85692963890920 0.46275546643471 0.86211405864533 15.999 > 69 71 O 0.35692963890920 0.96275546643471 0.86211405864533 15.999 > 69 72 O 0.85692963890920 0.96275546643471 0.86211405864533 15.999 > 69 73 O 0.39307036109080 0.28724453356529 0.36211405864533 15.999 > 73 74 O 0.89307036109080 0.28724453356529 0.36211405864533 15.999 > 73 75 O 0.39307036109080 0.78724453356529 0.36211405864533 15.999 > 73 76 O 0.89307036109080 0.78724453356529 0.36211405864533 15.999 > 73 77 O 0.39307036109080 0.21275546643471 0.86211405864533 15.999 > 77 78 O 0.89307036109080 0.21275546643471 0.86211405864533 15.999 > 77 79 O 0.39307036109080 0.71275546643471 0.86211405864533 15.999 > 77 80 O 0.89307036109080 0.71275546643471 0.86211405864533 15.999 > 77 81 O 0.36048892086513 0.15514400175482 0.19575162680398 15.999 > 81 82 O 0.86048892086513 0.15514400175482 0.19575162680398 15.999 > 81 83 O 0.36048892086513 0.65514400175482 0.19575162680398 15.999 > 81 84 O 0.86048892086513 0.65514400175482 0.19575162680398 15.999 > 81 85 O 0.36048892086513 0.34485599824518 0.69575162680398 15.999 > 85 86 O 0.86048892086513 0.34485599824518 0.69575162680398 15.999 > 85 87 O 0.36048892086513 0.84485599824518 0.69575162680398 15.999 > 85 88 O 0.86048892086513 0.84485599824518 0.69575162680398 15.999 > 85 89 O 0.39716339680698 0.06463589240052 0.03003940436037 15.999 > 89 90 O 0.89716339680698 0.06463589240052 0.03003940436037 15.999 > 89 91 O 0.39716339680698 0.56463589240052 0.03003940436037 15.999 > 89 92 O 0.89716339680698 0.56463589240052 0.03003940436037 15.999 > 89 93 O 0.39716339680698 0.43536410759948 0.53003940436037 15.999 > 93 94 O 0.89716339680698 0.43536410759948 0.53003940436037 15.999 > 93 95 O 0.39716339680698 0.93536410759948 0.53003940436037 15.999 > 93 96 O 0.89716339680698 0.93536410759948 0.53003940436037 15.999 > 93 97 O 0.10283660319302 0.43536410759948 0.96996059563963 15.999 > 97 98 O 0.60283660319302 0.43536410759948 0.96996059563963 15.999 > 97 99 O 0.10283660319302 0.93536410759948 0.96996059563963 15.999 > 97 100 O 0.60283660319302 0.93536410759948 0.96996059563963 15.999 > 97 101 O 0.10283660319302 0.06463589240052 0.46996059563963 15.999 > 101 102 O 0.60283660319302 0.06463589240052 0.46996059563963 15.999 > 101 103 O 0.10283660319302 0.56463589240052 0.46996059563963 15.999 > 101 104 O 0.60283660319302 0.56463589240052 0.46996059563963 15.999 > 101 105 O 0.13951107913487 0.15514400175482 0.30424837319602 15.999 > 105 106 O 0.63951107913487 0.15514400175482 0.30424837319602 15.999 > 105 107 O 0.13951107913487 0.65514400175482 0.30424837319602 15.999 > 105 108 O 0.63951107913487 0.65514400175482 0.30424837319602 15.999 > 105 109 O 0.13951107913487 0.34485599824518 0.80424837319602 15.999 > 109 110 O 0.63951107913487 0.34485599824518 0.80424837319602 15.999 > 109 111 O 0.13951107913487 0.84485599824518 0.80424837319602 15.999 > 109 112 O 0.63951107913487 0.84485599824518 0.80424837319602 15.999 > 109 113 O 0.10692963890920 0.21275546643471 0.63788594135467 15.999 > 113 114 O 0.60692963890920 0.21275546643471 0.63788594135467 15.999 > 113 115 O 0.10692963890920 0.71275546643471 0.63788594135467 15.999 > 113 116 O 0.60692963890920 0.71275546643471 0.63788594135467 15.999 > 113 117 O 0.10692963890920 0.28724453356529 0.13788594135467 15.999 > 117 118 O 0.60692963890920 0.28724453356529 0.13788594135467 15.999 > 117 119 O 0.10692963890920 0.78724453356529 0.13788594135467 15.999 > 117 120 O 0.60692963890920 0.78724453356529 0.13788594135467 15.999 > 117 121 O 0.14307036109080 0.46275546643471 0.63788594135467 15.999 > 121 122 O 0.64307036109080 0.46275546643471 0.63788594135467 15.999 > 121 123 O 0.14307036109080 0.96275546643471 0.63788594135467 15.999 > 121 124 O 0.64307036109080 0.96275546643471 0.63788594135467 15.999 > 121 125 O 0.14307036109080 0.03724453356529 0.13788594135467 15.999 > 125 126 O 0.64307036109080 0.03724453356529 0.13788594135467 15.999 > 125 127 O 0.14307036109080 0.53724453356529 0.13788594135467 15.999 > 125 128 O 0.64307036109080 0.53724453356529 0.13788594135467 15.999 > 125 129 O 0.11048892086513 0.09485599824518 0.80424837319602 15.999 > 129 130 O 0.61048892086513 0.09485599824518 0.80424837319602 15.999 > 129 131 O 0.11048892086513 0.59485599824518 0.80424837319602 15.999 > 129 132 O 0.61048892086513 0.59485599824518 0.80424837319602 15.999 > 129 133 O 0.11048892086513 0.40514400175482 0.30424837319602 15.999 > 133 134 O 0.61048892086513 0.40514400175482 0.30424837319602 15.999 > 133 135 O 0.11048892086513 0.90514400175482 0.30424837319602 15.999 > 133 136 O 0.61048892086513 0.90514400175482 0.30424837319602 15.999 > 133 137 O 0.14716339680698 0.18536410759948 0.96996059563963 15.999 > 137 138 O 0.64716339680698 0.18536410759948 0.96996059563963 15.999 > 137 139 O 0.14716339680698 0.68536410759948 0.96996059563963 15.999 > 137 140 O 0.64716339680698 0.68536410759948 0.96996059563963 15.999 > 137 141 O 0.14716339680698 0.31463589240052 0.46996059563963 15.999 > 141 142 O 0.64716339680698 0.31463589240052 0.46996059563963 15.999 > 141 143 O 0.14716339680698 0.81463589240052 0.46996059563963 15.999 > 141 144 O 0.64716339680698 0.81463589240052 0.46996059563963 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5642068 0.0000000 0.0000000 0.0000000 4.6812865 0.0000000 0.0000000 0.0000000 4.9392675 -------------------------- Born effective charges -------------------------- 1 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 2 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 3 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 4 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 5 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 6 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 7 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 8 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 9 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 10 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 11 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 12 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 13 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 14 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 15 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 16 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 17 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 18 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 19 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 20 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 21 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 22 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 23 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 24 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 25 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 26 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 27 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 28 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 29 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 30 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 31 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 32 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 33 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 34 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 35 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 36 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:12:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:12:36]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803258180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.776857260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): 1 Hf 0.50225585888361 0.34904757161191 0.08417980933051 178.490 2 Hf 0.50000000000000 0.02512128183841 0.25000000000000 178.490 3 Hf 0.49774414111639 0.34904757161191 0.41582019066949 178.490 4 Hf 0.50000000000000 0.97487871816159 0.75000000000000 178.490 5 Hf 0.50225585888361 0.65095242838809 0.58417980933051 178.490 6 Hf 0.49774414111639 0.65095242838809 0.91582019066949 178.490 7 Hf 0.99774414111639 0.15095242838809 0.58417980933051 178.490 8 Hf 0.00000000000000 0.52512128183841 0.25000000000000 178.490 9 Hf 0.00225585888361 0.15095242838809 0.91582019066949 178.490 10 Hf 0.00000000000000 0.47487871816159 0.75000000000000 178.490 11 Hf 0.00225585888361 0.84904757161191 0.41582019066949 178.490 12 Hf 0.99774414111639 0.84904757161191 0.08417980933051 178.490 13 O 0.70567320638604 0.62927178480105 0.03003940436037 15.999 14 O 0.70567320638604 0.37072821519895 0.53003940436037 15.999 15 O 0.77902215826973 0.18971199649036 0.69575162680398 15.999 16 O 0.77902215826973 0.81028800350964 0.19575162680398 15.999 17 O 0.71385927781839 0.07448906713057 0.36211405864533 15.999 18 O 0.71385927781839 0.92551093286943 0.86211405864533 15.999 19 O 0.78614072218161 0.57448906713057 0.36211405864533 15.999 20 O 0.78614072218161 0.42551093286943 0.86211405864533 15.999 21 O 0.72097784173027 0.31028800350964 0.19575162680398 15.999 22 O 0.72097784173027 0.68971199649036 0.69575162680398 15.999 23 O 0.79432679361396 0.12927178480105 0.03003940436037 15.999 24 O 0.79432679361396 0.87072821519895 0.53003940436037 15.999 25 O 0.20567320638604 0.87072821519895 0.96996059563963 15.999 26 O 0.20567320638604 0.12927178480105 0.46996059563963 15.999 27 O 0.27902215826973 0.31028800350964 0.30424837319602 15.999 28 O 0.27902215826973 0.68971199649036 0.80424837319602 15.999 29 O 0.21385927781840 0.42551093286943 0.63788594135467 15.999 30 O 0.21385927781840 0.57448906713057 0.13788594135467 15.999 31 O 0.28614072218161 0.92551093286943 0.63788594135467 15.999 32 O 0.28614072218161 0.07448906713057 0.13788594135467 15.999 33 O 0.22097784173027 0.18971199649036 0.80424837319602 15.999 34 O 0.22097784173027 0.81028800350964 0.30424837319602 15.999 35 O 0.29432679361396 0.37072821519895 0.96996059563963 15.999 36 O 0.29432679361396 0.62927178480105 0.46996059563963 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.606516360000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.553714520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.893145159999998 Atomic positions (fractional): 1 Hf 0.25112792944181 0.17452378580596 0.08417980933051 178.490 > 1 2 Hf 0.75112792944181 0.17452378580596 0.08417980933051 178.490 > 1 3 Hf 0.25112792944181 0.67452378580596 0.08417980933051 178.490 > 1 4 Hf 0.75112792944181 0.67452378580596 0.08417980933051 178.490 > 1 5 Hf 0.25000000000000 0.01256064091920 0.25000000000000 178.490 > 5 6 Hf 0.75000000000000 0.01256064091920 0.25000000000000 178.490 > 5 7 Hf 0.25000000000000 0.51256064091920 0.25000000000000 178.490 > 5 8 Hf 0.75000000000000 0.51256064091920 0.25000000000000 178.490 > 5 9 Hf 0.24887207055819 0.17452378580596 0.41582019066949 178.490 > 9 10 Hf 0.74887207055819 0.17452378580596 0.41582019066949 178.490 > 9 11 Hf 0.24887207055819 0.67452378580596 0.41582019066949 178.490 > 9 12 Hf 0.74887207055819 0.67452378580596 0.41582019066949 178.490 > 9 13 Hf 0.25000000000000 0.48743935908080 0.75000000000000 178.490 > 13 14 Hf 0.75000000000000 0.48743935908080 0.75000000000000 178.490 > 13 15 Hf 0.25000000000000 0.98743935908080 0.75000000000000 178.490 > 13 16 Hf 0.75000000000000 0.98743935908080 0.75000000000000 178.490 > 13 17 Hf 0.25112792944181 0.32547621419404 0.58417980933051 178.490 > 17 18 Hf 0.75112792944181 0.32547621419404 0.58417980933051 178.490 > 17 19 Hf 0.25112792944181 0.82547621419404 0.58417980933051 178.490 > 17 20 Hf 0.75112792944181 0.82547621419404 0.58417980933051 178.490 > 17 21 Hf 0.24887207055819 0.32547621419404 0.91582019066949 178.490 > 21 22 Hf 0.74887207055819 0.32547621419404 0.91582019066949 178.490 > 21 23 Hf 0.24887207055819 0.82547621419404 0.91582019066949 178.490 > 21 24 Hf 0.74887207055819 0.82547621419404 0.91582019066949 178.490 > 21 25 Hf 0.49887207055819 0.07547621419404 0.58417980933051 178.490 > 25 26 Hf 0.99887207055819 0.07547621419404 0.58417980933051 178.490 > 25 27 Hf 0.49887207055819 0.57547621419404 0.58417980933051 178.490 > 25 28 Hf 0.99887207055819 0.57547621419404 0.58417980933051 178.490 > 25 29 Hf 0.00000000000000 0.26256064091920 0.25000000000000 178.490 > 29 30 Hf 0.50000000000000 0.26256064091920 0.25000000000000 178.490 > 29 31 Hf 0.00000000000000 0.76256064091920 0.25000000000000 178.490 > 29 32 Hf 0.50000000000000 0.76256064091920 0.25000000000000 178.490 > 29 33 Hf 0.00112792944181 0.07547621419404 0.91582019066949 178.490 > 33 34 Hf 0.50112792944181 0.07547621419404 0.91582019066949 178.490 > 33 35 Hf 0.00112792944181 0.57547621419404 0.91582019066949 178.490 > 33 36 Hf 0.50112792944181 0.57547621419404 0.91582019066949 178.490 > 33 37 Hf 0.00000000000000 0.23743935908080 0.75000000000000 178.490 > 37 38 Hf 0.50000000000000 0.23743935908080 0.75000000000000 178.490 > 37 39 Hf 0.00000000000000 0.73743935908080 0.75000000000000 178.490 > 37 40 Hf 0.50000000000000 0.73743935908080 0.75000000000000 178.490 > 37 41 Hf 0.00112792944181 0.42452378580596 0.41582019066949 178.490 > 41 42 Hf 0.50112792944181 0.42452378580596 0.41582019066949 178.490 > 41 43 Hf 0.00112792944181 0.92452378580596 0.41582019066949 178.490 > 41 44 Hf 0.50112792944181 0.92452378580596 0.41582019066949 178.490 > 41 45 Hf 0.49887207055819 0.42452378580596 0.08417980933051 178.490 > 45 46 Hf 0.99887207055819 0.42452378580596 0.08417980933051 178.490 > 45 47 Hf 0.49887207055819 0.92452378580596 0.08417980933051 178.490 > 45 48 Hf 0.99887207055819 0.92452378580596 0.08417980933051 178.490 > 45 49 O 0.35283660319302 0.31463589240052 0.03003940436037 15.999 > 49 50 O 0.85283660319302 0.31463589240052 0.03003940436037 15.999 > 49 51 O 0.35283660319302 0.81463589240052 0.03003940436037 15.999 > 49 52 O 0.85283660319302 0.81463589240052 0.03003940436037 15.999 > 49 53 O 0.35283660319302 0.18536410759948 0.53003940436037 15.999 > 53 54 O 0.85283660319302 0.18536410759948 0.53003940436037 15.999 > 53 55 O 0.35283660319302 0.68536410759948 0.53003940436037 15.999 > 53 56 O 0.85283660319302 0.68536410759948 0.53003940436037 15.999 > 53 57 O 0.38951107913487 0.09485599824518 0.69575162680398 15.999 > 57 58 O 0.88951107913487 0.09485599824518 0.69575162680398 15.999 > 57 59 O 0.38951107913487 0.59485599824518 0.69575162680398 15.999 > 57 60 O 0.88951107913487 0.59485599824518 0.69575162680398 15.999 > 57 61 O 0.38951107913487 0.40514400175482 0.19575162680398 15.999 > 61 62 O 0.88951107913487 0.40514400175482 0.19575162680398 15.999 > 61 63 O 0.38951107913487 0.90514400175482 0.19575162680398 15.999 > 61 64 O 0.88951107913487 0.90514400175482 0.19575162680398 15.999 > 61 65 O 0.35692963890920 0.03724453356529 0.36211405864533 15.999 > 65 66 O 0.85692963890920 0.03724453356529 0.36211405864533 15.999 > 65 67 O 0.35692963890920 0.53724453356529 0.36211405864533 15.999 > 65 68 O 0.85692963890920 0.53724453356529 0.36211405864533 15.999 > 65 69 O 0.35692963890920 0.46275546643471 0.86211405864533 15.999 > 69 70 O 0.85692963890920 0.46275546643471 0.86211405864533 15.999 > 69 71 O 0.35692963890920 0.96275546643471 0.86211405864533 15.999 > 69 72 O 0.85692963890920 0.96275546643471 0.86211405864533 15.999 > 69 73 O 0.39307036109080 0.28724453356529 0.36211405864533 15.999 > 73 74 O 0.89307036109080 0.28724453356529 0.36211405864533 15.999 > 73 75 O 0.39307036109080 0.78724453356529 0.36211405864533 15.999 > 73 76 O 0.89307036109080 0.78724453356529 0.36211405864533 15.999 > 73 77 O 0.39307036109080 0.21275546643471 0.86211405864533 15.999 > 77 78 O 0.89307036109080 0.21275546643471 0.86211405864533 15.999 > 77 79 O 0.39307036109080 0.71275546643471 0.86211405864533 15.999 > 77 80 O 0.89307036109080 0.71275546643471 0.86211405864533 15.999 > 77 81 O 0.36048892086513 0.15514400175482 0.19575162680398 15.999 > 81 82 O 0.86048892086513 0.15514400175482 0.19575162680398 15.999 > 81 83 O 0.36048892086513 0.65514400175482 0.19575162680398 15.999 > 81 84 O 0.86048892086513 0.65514400175482 0.19575162680398 15.999 > 81 85 O 0.36048892086513 0.34485599824518 0.69575162680398 15.999 > 85 86 O 0.86048892086513 0.34485599824518 0.69575162680398 15.999 > 85 87 O 0.36048892086513 0.84485599824518 0.69575162680398 15.999 > 85 88 O 0.86048892086513 0.84485599824518 0.69575162680398 15.999 > 85 89 O 0.39716339680698 0.06463589240052 0.03003940436037 15.999 > 89 90 O 0.89716339680698 0.06463589240052 0.03003940436037 15.999 > 89 91 O 0.39716339680698 0.56463589240052 0.03003940436037 15.999 > 89 92 O 0.89716339680698 0.56463589240052 0.03003940436037 15.999 > 89 93 O 0.39716339680698 0.43536410759948 0.53003940436037 15.999 > 93 94 O 0.89716339680698 0.43536410759948 0.53003940436037 15.999 > 93 95 O 0.39716339680698 0.93536410759948 0.53003940436037 15.999 > 93 96 O 0.89716339680698 0.93536410759948 0.53003940436037 15.999 > 93 97 O 0.10283660319302 0.43536410759948 0.96996059563963 15.999 > 97 98 O 0.60283660319302 0.43536410759948 0.96996059563963 15.999 > 97 99 O 0.10283660319302 0.93536410759948 0.96996059563963 15.999 > 97 100 O 0.60283660319302 0.93536410759948 0.96996059563963 15.999 > 97 101 O 0.10283660319302 0.06463589240052 0.46996059563963 15.999 > 101 102 O 0.60283660319302 0.06463589240052 0.46996059563963 15.999 > 101 103 O 0.10283660319302 0.56463589240052 0.46996059563963 15.999 > 101 104 O 0.60283660319302 0.56463589240052 0.46996059563963 15.999 > 101 105 O 0.13951107913487 0.15514400175482 0.30424837319602 15.999 > 105 106 O 0.63951107913487 0.15514400175482 0.30424837319602 15.999 > 105 107 O 0.13951107913487 0.65514400175482 0.30424837319602 15.999 > 105 108 O 0.63951107913487 0.65514400175482 0.30424837319602 15.999 > 105 109 O 0.13951107913487 0.34485599824518 0.80424837319602 15.999 > 109 110 O 0.63951107913487 0.34485599824518 0.80424837319602 15.999 > 109 111 O 0.13951107913487 0.84485599824518 0.80424837319602 15.999 > 109 112 O 0.63951107913487 0.84485599824518 0.80424837319602 15.999 > 109 113 O 0.10692963890920 0.21275546643471 0.63788594135467 15.999 > 113 114 O 0.60692963890920 0.21275546643471 0.63788594135467 15.999 > 113 115 O 0.10692963890920 0.71275546643471 0.63788594135467 15.999 > 113 116 O 0.60692963890920 0.71275546643471 0.63788594135467 15.999 > 113 117 O 0.10692963890920 0.28724453356529 0.13788594135467 15.999 > 117 118 O 0.60692963890920 0.28724453356529 0.13788594135467 15.999 > 117 119 O 0.10692963890920 0.78724453356529 0.13788594135467 15.999 > 117 120 O 0.60692963890920 0.78724453356529 0.13788594135467 15.999 > 117 121 O 0.14307036109080 0.46275546643471 0.63788594135467 15.999 > 121 122 O 0.64307036109080 0.46275546643471 0.63788594135467 15.999 > 121 123 O 0.14307036109080 0.96275546643471 0.63788594135467 15.999 > 121 124 O 0.64307036109080 0.96275546643471 0.63788594135467 15.999 > 121 125 O 0.14307036109080 0.03724453356529 0.13788594135467 15.999 > 125 126 O 0.64307036109080 0.03724453356529 0.13788594135467 15.999 > 125 127 O 0.14307036109080 0.53724453356529 0.13788594135467 15.999 > 125 128 O 0.64307036109080 0.53724453356529 0.13788594135467 15.999 > 125 129 O 0.11048892086513 0.09485599824518 0.80424837319602 15.999 > 129 130 O 0.61048892086513 0.09485599824518 0.80424837319602 15.999 > 129 131 O 0.11048892086513 0.59485599824518 0.80424837319602 15.999 > 129 132 O 0.61048892086513 0.59485599824518 0.80424837319602 15.999 > 129 133 O 0.11048892086513 0.40514400175482 0.30424837319602 15.999 > 133 134 O 0.61048892086513 0.40514400175482 0.30424837319602 15.999 > 133 135 O 0.11048892086513 0.90514400175482 0.30424837319602 15.999 > 133 136 O 0.61048892086513 0.90514400175482 0.30424837319602 15.999 > 133 137 O 0.14716339680698 0.18536410759948 0.96996059563963 15.999 > 137 138 O 0.64716339680698 0.18536410759948 0.96996059563963 15.999 > 137 139 O 0.14716339680698 0.68536410759948 0.96996059563963 15.999 > 137 140 O 0.64716339680698 0.68536410759948 0.96996059563963 15.999 > 137 141 O 0.14716339680698 0.31463589240052 0.46996059563963 15.999 > 141 142 O 0.64716339680698 0.31463589240052 0.46996059563963 15.999 > 141 143 O 0.14716339680698 0.81463589240052 0.46996059563963 15.999 > 141 144 O 0.64716339680698 0.81463589240052 0.46996059563963 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5642068 0.0000000 0.0000000 0.0000000 4.6812865 0.0000000 0.0000000 0.0000000 4.9392675 -------------------------- Born effective charges -------------------------- 1 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 2 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 3 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 4 Hf 5.2235544 0.0000000 -0.4834896 0.0000000 5.2560364 0.0000000 -0.2772204 0.0000000 5.7652158 5 Hf 5.3159170 0.6654529 -0.3266409 0.3451401 5.5727050 0.0822304 -0.2328819 0.4208320 5.9396355 6 Hf 5.3159170 -0.6654529 -0.3266409 -0.3451401 5.5727050 -0.0822304 -0.2328819 -0.4208320 5.9396355 7 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 8 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 9 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 10 Hf 5.2235544 0.0000000 0.4834896 0.0000000 5.2560364 0.0000000 0.2772204 0.0000000 5.7652158 11 Hf 5.3159170 -0.6654529 0.3266409 -0.3451401 5.5727050 0.0822304 0.2328819 0.4208320 5.9396355 12 Hf 5.3159170 0.6654529 0.3266409 0.3451401 5.5727050 -0.0822304 0.2328819 -0.4208320 5.9396355 13 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 14 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 15 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 16 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 17 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 18 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 19 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 20 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 21 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 22 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 23 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 24 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 25 O -2.6201062 1.0703737 0.7427489 1.1410078 -2.7842010 0.0341932 0.7343582 0.1885531 -2.9846868 26 O -2.6201062 -1.0703737 0.7427489 -1.1410078 -2.7842010 -0.0341932 0.7343582 -0.1885531 -2.9846868 27 O -2.6807502 1.1001639 -0.7979424 1.1204258 -2.6280494 0.0886147 -0.8410608 -0.1288361 -2.9337659 28 O -2.6807502 -1.1001639 -0.7979424 -1.1204258 -2.6280494 -0.0886147 -0.8410608 0.1288361 -2.9337659 29 O -2.6268377 -1.0667692 0.7246446 -1.1109660 -2.7884727 -0.1229135 0.7358660 -0.2429514 -2.9037907 30 O -2.6268377 1.0667692 0.7246446 1.1109660 -2.7884727 0.1229135 0.7358660 0.2429514 -2.9037907 31 O -2.6268377 1.0667692 -0.7246446 1.1109660 -2.7884727 -0.1229135 -0.7358660 -0.2429514 -2.9037907 32 O -2.6268377 -1.0667692 -0.7246446 -1.1109660 -2.7884727 0.1229135 -0.7358660 0.2429514 -2.9037907 33 O -2.6807502 1.1001639 0.7979424 1.1204258 -2.6280494 -0.0886147 0.8410608 0.1288361 -2.9337659 34 O -2.6807502 -1.1001639 0.7979424 -1.1204258 -2.6280494 0.0886147 0.8410608 -0.1288361 -2.9337659 35 O -2.6201062 -1.0703737 -0.7427489 -1.1410078 -2.7842010 0.0341932 -0.7343582 0.1885531 -2.9846868 36 O -2.6201062 1.0703737 -0.7427489 1.1410078 -2.7842010 -0.0341932 -0.7343582 -0.1885531 -2.9846868 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) 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 ... [ 10 9 3 ] 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: 0.55, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.670 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.588 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 14.142 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.760 ( 0.000 0.000 0.000) 0.000 15.086 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.586 ( 0.000 0.000 0.000) 0.000 15.596 ( 0.000 0.000 0.000) 0.000 15.785 ( 0.000 0.000 0.000) 0.000 15.872 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.895 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 17.968 ( 0.000 0.000 0.000) 0.000 18.416 ( 0.000 0.000 0.000) 0.000 18.630 ( 0.000 0.000 0.000) 0.000 18.655 ( 0.000 0.000 0.000) 0.000 20.205 ( 0.000 0.000 0.000) 0.000 20.423 ( 0.000 0.000 0.000) 0.000 20.455 ( 0.000 0.000 0.000) 0.000 20.653 ( 0.000 0.000 0.000) 0.000 20.971 ( 0.000 0.000 0.000) 0.000 21.329 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 21.542 ( 0.000 0.000 0.000) 0.000 23.168 ( 0.000 0.000 0.000) 0.000 23.231 ( 0.000 0.000 0.000) 0.000 23.877 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 33.596 0.000 0.000) 33.596 0.818 ( 38.671 0.000 0.000) 38.671 1.058 ( 50.129 0.000 0.000) 50.129 1.736 ( 9.728 0.000 0.000) 9.728 1.879 ( -10.734 0.000 0.000) 10.734 1.933 ( 2.306 0.000 0.000) 2.306 1.962 ( 5.645 0.000 0.000) 5.645 2.240 ( 2.911 0.000 0.000) 2.911 2.677 ( -6.105 0.000 0.000) 6.105 2.691 ( 1.097 0.000 0.000) 1.097 2.747 ( 14.572 0.000 0.000) 14.572 2.969 ( -1.206 0.000 0.000) 1.206 3.114 ( 7.674 0.000 0.000) 7.674 3.127 ( -5.889 0.000 0.000) 5.889 3.261 ( -6.777 0.000 0.000) 6.777 3.404 ( 11.457 0.000 0.000) 11.457 3.524 ( -6.960 0.000 0.000) 6.960 3.601 ( 9.237 0.000 0.000) 9.237 3.811 ( 10.425 0.000 0.000) 10.425 4.110 ( 3.526 0.000 0.000) 3.526 4.198 ( 6.460 0.000 0.000) 6.460 4.205 ( 11.328 0.000 0.000) 11.328 4.538 ( -1.489 0.000 0.000) 1.489 4.559 ( -5.194 0.000 0.000) 5.194 4.894 ( 1.786 0.000 0.000) 1.786 4.960 ( -1.681 0.000 0.000) 1.681 5.151 ( -5.370 0.000 0.000) 5.370 5.231 ( 13.214 0.000 0.000) 13.214 5.648 ( -6.550 0.000 0.000) 6.550 5.670 ( 0.919 0.000 0.000) 0.919 5.884 ( -3.220 0.000 0.000) 3.220 6.030 ( 1.794 0.000 0.000) 1.794 6.509 ( 2.496 0.000 0.000) 2.496 6.538 ( -5.220 0.000 0.000) 5.220 6.630 ( -2.707 0.000 0.000) 2.707 6.644 ( 0.370 0.000 0.000) 0.370 6.707 ( 1.778 0.000 0.000) 1.778 6.918 ( 2.264 0.000 0.000) 2.264 7.050 ( -7.057 0.000 0.000) 7.057 7.095 ( 6.438 0.000 0.000) 6.438 7.188 ( -3.435 0.000 0.000) 3.435 7.323 ( 5.219 0.000 0.000) 5.219 7.350 ( -0.487 0.000 0.000) 0.487 7.426 ( 11.627 0.000 0.000) 11.627 7.442 ( 5.962 0.000 0.000) 5.962 7.588 ( 2.345 0.000 0.000) 2.345 7.733 ( -1.820 0.000 0.000) 1.820 7.847 ( -3.184 0.000 0.000) 3.184 7.897 ( -0.444 0.000 0.000) 0.444 8.033 ( 0.284 0.000 0.000) 0.284 8.110 ( -3.175 0.000 0.000) 3.175 8.245 ( -2.024 0.000 0.000) 2.024 8.624 ( -3.142 0.000 0.000) 3.142 8.792 ( -4.442 0.000 0.000) 4.442 9.219 ( 6.886 0.000 0.000) 6.886 9.274 ( -1.676 0.000 0.000) 1.676 9.871 ( 0.521 0.000 0.000) 0.521 9.879 ( -3.565 0.000 0.000) 3.565 10.971 ( -7.452 0.000 0.000) 7.452 11.087 ( -7.568 0.000 0.000) 7.568 11.608 ( -5.642 0.000 0.000) 5.642 12.448 ( -11.468 0.000 0.000) 11.468 12.593 ( -2.847 0.000 0.000) 2.847 12.611 ( 0.560 0.000 0.000) 0.560 12.638 ( 1.540 0.000 0.000) 1.540 12.792 ( 2.500 0.000 0.000) 2.500 12.915 ( -4.539 0.000 0.000) 4.539 12.919 ( -5.391 0.000 0.000) 5.391 12.990 ( 13.495 0.000 0.000) 13.495 13.031 ( -3.172 0.000 0.000) 3.172 13.328 ( 8.421 0.000 0.000) 8.421 13.374 ( 3.808 0.000 0.000) 3.808 13.524 ( 11.345 0.000 0.000) 11.345 13.600 ( 5.518 0.000 0.000) 5.518 14.178 ( 3.271 0.000 0.000) 3.271 14.362 ( 1.467 0.000 0.000) 1.467 14.386 ( -7.982 0.000 0.000) 7.982 14.485 ( 5.567 0.000 0.000) 5.567 14.679 ( -5.177 0.000 0.000) 5.177 14.751 ( 1.101 0.000 0.000) 1.101 15.057 ( -1.492 0.000 0.000) 1.492 15.222 ( -3.222 0.000 0.000) 3.222 15.262 ( -5.984 0.000 0.000) 5.984 15.448 ( -8.565 0.000 0.000) 8.565 15.503 ( -18.883 0.000 0.000) 18.883 15.663 ( 1.719 0.000 0.000) 1.719 15.870 ( -0.246 0.000 0.000) 0.246 16.272 ( -5.682 0.000 0.000) 5.682 16.505 ( -22.571 0.000 0.000) 22.571 17.198 ( -20.299 0.000 0.000) 20.299 17.410 ( 0.283 0.000 0.000) 0.283 17.591 ( -10.449 0.000 0.000) 10.449 18.014 ( -1.633 0.000 0.000) 1.633 18.220 ( -17.988 0.000 0.000) 17.988 18.509 ( -11.333 0.000 0.000) 11.333 18.540 ( -10.622 0.000 0.000) 10.622 20.281 ( 7.429 0.000 0.000) 7.429 20.513 ( 5.645 0.000 0.000) 5.645 20.519 ( 8.109 0.000 0.000) 8.109 20.929 ( 22.925 0.000 0.000) 22.925 21.001 ( 2.856 0.000 0.000) 2.856 21.408 ( 6.850 0.000 0.000) 6.850 21.427 ( 3.373 0.000 0.000) 3.373 21.494 ( 5.841 0.000 0.000) 5.841 22.359 ( 5.463 0.000 0.000) 5.463 23.146 ( -2.178 0.000 0.000) 2.178 23.211 ( -2.071 0.000 0.000) 2.071 23.840 ( -3.519 0.000 0.000) 3.519 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 26.039 0.000 0.000) 26.039 1.583 ( 31.317 0.000 0.000) 31.317 1.751 ( 2.738 0.000 0.000) 2.738 1.985 ( 12.584 0.000 0.000) 12.584 2.028 ( 6.717 0.000 0.000) 6.717 2.065 ( 44.055 0.000 0.000) 44.055 2.083 ( 5.749 0.000 0.000) 5.749 2.307 ( 3.532 0.000 0.000) 3.532 2.607 ( 1.051 0.000 0.000) 1.051 2.696 ( -1.535 0.000 0.000) 1.535 2.885 ( -3.104 0.000 0.000) 3.104 2.977 ( -8.370 0.000 0.000) 8.370 3.080 ( 12.625 0.000 0.000) 12.625 3.133 ( -6.636 0.000 0.000) 6.636 3.182 ( 1.990 0.000 0.000) 1.990 3.544 ( 10.230 0.000 0.000) 10.230 3.714 ( 17.437 0.000 0.000) 17.437 3.868 ( 15.676 0.000 0.000) 15.676 4.089 ( -4.067 0.000 0.000) 4.067 4.091 ( 15.425 0.000 0.000) 15.425 4.201 ( -7.734 0.000 0.000) 7.734 4.476 ( 13.295 0.000 0.000) 13.295 4.603 ( 11.378 0.000 0.000) 11.378 4.605 ( 6.191 0.000 0.000) 6.191 4.898 ( -4.217 0.000 0.000) 4.217 4.913 ( -2.881 0.000 0.000) 2.881 5.005 ( -6.569 0.000 0.000) 6.569 5.483 ( -8.911 0.000 0.000) 8.911 5.549 ( 16.679 0.000 0.000) 16.679 5.690 ( 0.598 0.000 0.000) 0.598 5.823 ( -1.542 0.000 0.000) 1.542 6.040 ( -1.237 0.000 0.000) 1.237 6.418 ( -5.835 0.000 0.000) 5.835 6.502 ( -4.944 0.000 0.000) 4.944 6.616 ( 3.102 0.000 0.000) 3.102 6.646 ( 0.067 0.000 0.000) 0.067 6.733 ( 0.622 0.000 0.000) 0.622 6.840 ( -5.488 0.000 0.000) 5.488 6.902 ( -6.164 0.000 0.000) 6.164 7.103 ( -5.327 0.000 0.000) 5.327 7.333 ( -1.280 0.000 0.000) 1.280 7.350 ( -0.811 0.000 0.000) 0.811 7.482 ( 20.014 0.000 0.000) 20.014 7.501 ( -1.501 0.000 0.000) 1.501 7.547 ( -2.927 0.000 0.000) 2.927 7.623 ( 0.216 0.000 0.000) 0.216 7.712 ( 0.635 0.000 0.000) 0.635 7.784 ( -0.012 0.000 0.000) 0.012 7.921 ( -4.289 0.000 0.000) 4.289 8.054 ( 1.980 0.000 0.000) 1.980 8.090 ( 7.626 0.000 0.000) 7.626 8.167 ( -5.238 0.000 0.000) 5.238 8.544 ( -4.008 0.000 0.000) 4.008 8.730 ( 1.437 0.000 0.000) 1.437 9.192 ( -6.035 0.000 0.000) 6.035 9.451 ( 14.935 0.000 0.000) 14.935 9.769 ( -6.451 0.000 0.000) 6.451 9.935 ( 6.156 0.000 0.000) 6.156 10.796 ( -8.744 0.000 0.000) 8.744 10.862 ( -13.932 0.000 0.000) 13.932 11.457 ( -8.385 0.000 0.000) 8.385 12.156 ( -14.955 0.000 0.000) 14.955 12.479 ( -11.656 0.000 0.000) 11.656 12.481 ( -13.157 0.000 0.000) 13.157 12.608 ( 4.096 0.000 0.000) 4.096 12.817 ( -0.179 0.000 0.000) 0.179 12.935 ( 7.178 0.000 0.000) 7.178 13.032 ( 2.517 0.000 0.000) 2.517 13.050 ( 13.154 0.000 0.000) 13.154 13.277 ( 13.299 0.000 0.000) 13.299 13.393 ( 1.295 0.000 0.000) 1.295 13.616 ( -6.120 0.000 0.000) 6.120 13.645 ( 17.852 0.000 0.000) 17.852 13.730 ( 7.592 0.000 0.000) 7.592 14.190 ( -6.650 0.000 0.000) 6.650 14.267 ( 4.979 0.000 0.000) 4.979 14.344 ( -2.488 0.000 0.000) 2.488 14.616 ( -1.496 0.000 0.000) 1.496 14.715 ( 15.582 0.000 0.000) 15.582 14.786 ( 2.243 0.000 0.000) 2.243 15.035 ( -9.421 0.000 0.000) 9.421 15.056 ( 1.689 0.000 0.000) 1.689 15.137 ( -4.407 0.000 0.000) 4.407 15.242 ( -10.722 0.000 0.000) 10.722 15.310 ( -2.427 0.000 0.000) 2.427 15.660 ( -2.147 0.000 0.000) 2.147 15.858 ( -1.094 0.000 0.000) 1.094 16.036 ( -20.439 0.000 0.000) 20.439 16.140 ( -6.117 0.000 0.000) 6.117 16.735 ( -23.119 0.000 0.000) 23.119 17.250 ( -21.057 0.000 0.000) 21.057 17.269 ( -13.391 0.000 0.000) 13.391 17.723 ( -28.173 0.000 0.000) 28.173 17.831 ( -15.031 0.000 0.000) 15.031 18.170 ( -21.029 0.000 0.000) 21.029 18.233 ( -18.499 0.000 0.000) 18.499 20.495 ( 12.116 0.000 0.000) 12.116 20.681 ( 9.935 0.000 0.000) 9.935 20.716 ( 9.885 0.000 0.000) 9.885 21.082 ( 4.614 0.000 0.000) 4.614 21.432 ( 22.600 0.000 0.000) 22.600 21.513 ( 4.531 0.000 0.000) 4.531 21.580 ( 9.145 0.000 0.000) 9.145 21.622 ( 5.669 0.000 0.000) 5.669 22.507 ( 8.232 0.000 0.000) 8.232 23.075 ( -4.673 0.000 0.000) 4.673 23.139 ( -4.918 0.000 0.000) 4.918 23.731 ( -6.880 0.000 0.000) 6.880 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 8.410 0.000 0.000) 8.410 1.816 ( 17.674 0.000 0.000) 17.674 2.110 ( -0.879 0.000 0.000) 0.879 2.182 ( 4.606 0.000 0.000) 4.606 2.191 ( 8.025 0.000 0.000) 8.025 2.302 ( 28.439 0.000 0.000) 28.439 2.401 ( 6.168 0.000 0.000) 6.168 2.618 ( 5.362 0.000 0.000) 5.362 2.651 ( -0.436 0.000 0.000) 0.436 2.783 ( -10.182 0.000 0.000) 10.182 2.807 ( -2.328 0.000 0.000) 2.328 2.872 ( 3.647 0.000 0.000) 3.647 3.124 ( 28.119 0.000 0.000) 28.119 3.273 ( 3.764 0.000 0.000) 3.764 3.384 ( 16.062 0.000 0.000) 16.062 3.835 ( 16.045 0.000 0.000) 16.045 4.018 ( -1.371 0.000 0.000) 1.371 4.051 ( -2.898 0.000 0.000) 2.898 4.091 ( 17.778 0.000 0.000) 17.778 4.218 ( 16.610 0.000 0.000) 16.610 4.394 ( 11.204 0.000 0.000) 11.204 4.636 ( -2.589 0.000 0.000) 2.589 4.671 ( -15.953 0.000 0.000) 15.953 4.704 ( 1.839 0.000 0.000) 1.839 4.852 ( 2.745 0.000 0.000) 2.745 4.896 ( 14.682 0.000 0.000) 14.682 4.974 ( 0.799 0.000 0.000) 0.799 5.283 ( -10.126 0.000 0.000) 10.126 5.685 ( -0.976 0.000 0.000) 0.976 5.840 ( 2.604 0.000 0.000) 2.604 5.902 ( 16.554 0.000 0.000) 16.554 5.983 ( -3.236 0.000 0.000) 3.236 6.324 ( -2.265 0.000 0.000) 2.265 6.371 ( -6.472 0.000 0.000) 6.472 6.658 ( -0.542 0.000 0.000) 0.542 6.704 ( 4.909 0.000 0.000) 4.909 6.730 ( -0.948 0.000 0.000) 0.948 6.736 ( -2.507 0.000 0.000) 2.507 6.813 ( -2.632 0.000 0.000) 2.632 6.965 ( -7.375 0.000 0.000) 7.375 7.234 ( -8.415 0.000 0.000) 8.415 7.291 ( -2.953 0.000 0.000) 2.953 7.390 ( -8.078 0.000 0.000) 8.078 7.395 ( -9.582 0.000 0.000) 9.582 7.565 ( -6.855 0.000 0.000) 6.855 7.581 ( -3.936 0.000 0.000) 3.936 7.709 ( -13.218 0.000 0.000) 13.218 7.725 ( -1.320 0.000 0.000) 1.320 8.064 ( -3.258 0.000 0.000) 3.258 8.108 ( 2.595 0.000 0.000) 2.595 8.176 ( 29.383 0.000 0.000) 29.383 8.236 ( 3.062 0.000 0.000) 3.062 8.476 ( -1.682 0.000 0.000) 1.682 8.960 ( 19.612 0.000 0.000) 19.612 9.063 ( -4.995 0.000 0.000) 4.995 9.551 ( -8.885 0.000 0.000) 8.885 9.889 ( 21.182 0.000 0.000) 21.182 10.119 ( 10.915 0.000 0.000) 10.915 10.512 ( -19.417 0.000 0.000) 19.417 10.599 ( -10.867 0.000 0.000) 10.867 11.273 ( -8.954 0.000 0.000) 8.954 11.907 ( -7.291 0.000 0.000) 7.291 12.133 ( -19.522 0.000 0.000) 19.522 12.274 ( -7.593 0.000 0.000) 7.593 12.748 ( 8.849 0.000 0.000) 8.849 12.768 ( -4.226 0.000 0.000) 4.226 13.073 ( 5.168 0.000 0.000) 5.168 13.181 ( 10.791 0.000 0.000) 10.791 13.222 ( -8.103 0.000 0.000) 8.103 13.472 ( 5.235 0.000 0.000) 5.235 13.476 ( 6.957 0.000 0.000) 6.957 13.509 ( 8.048 0.000 0.000) 8.048 13.826 ( 2.102 0.000 0.000) 2.102 14.002 ( 14.509 0.000 0.000) 14.509 14.158 ( 1.619 0.000 0.000) 1.619 14.274 ( -4.048 0.000 0.000) 4.048 14.380 ( 5.805 0.000 0.000) 5.805 14.589 ( -1.438 0.000 0.000) 1.438 14.843 ( 3.240 0.000 0.000) 3.240 14.970 ( 2.013 0.000 0.000) 2.013 14.987 ( -4.341 0.000 0.000) 4.341 15.070 ( -1.588 0.000 0.000) 1.588 15.131 ( 5.486 0.000 0.000) 5.486 15.152 ( 17.316 0.000 0.000) 17.316 15.340 ( 6.522 0.000 0.000) 6.522 15.574 ( -5.895 0.000 0.000) 5.895 15.701 ( -11.160 0.000 0.000) 11.160 15.808 ( -4.452 0.000 0.000) 4.452 16.040 ( -3.482 0.000 0.000) 3.482 16.273 ( -20.503 0.000 0.000) 20.503 16.801 ( -19.493 0.000 0.000) 19.493 16.908 ( -19.661 0.000 0.000) 19.661 17.118 ( -27.994 0.000 0.000) 27.994 17.440 ( -21.208 0.000 0.000) 21.208 17.645 ( -28.986 0.000 0.000) 28.986 17.785 ( -24.065 0.000 0.000) 24.065 20.742 ( 10.843 0.000 0.000) 10.843 20.898 ( 10.257 0.000 0.000) 10.257 20.899 ( 7.181 0.000 0.000) 7.181 21.175 ( 3.882 0.000 0.000) 3.882 21.604 ( 3.983 0.000 0.000) 3.983 21.710 ( 2.562 0.000 0.000) 2.562 21.784 ( 10.515 0.000 0.000) 10.515 21.829 ( 15.609 0.000 0.000) 15.609 22.688 ( 9.106 0.000 0.000) 9.106 22.953 ( -6.903 0.000 0.000) 6.903 23.004 ( -8.012 0.000 0.000) 8.012 23.558 ( -9.633 0.000 0.000) 9.633 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 12.514 0.000 0.000) 12.514 2.088 ( -0.485 0.000 0.000) 0.485 2.117 ( 10.166 0.000 0.000) 10.166 2.183 ( -0.808 0.000 0.000) 0.808 2.328 ( 5.053 0.000 0.000) 5.053 2.552 ( -2.928 0.000 0.000) 2.928 2.556 ( -10.871 0.000 0.000) 10.871 2.574 ( -8.193 0.000 0.000) 8.193 2.590 ( 11.235 0.000 0.000) 11.235 2.717 ( 5.498 0.000 0.000) 5.498 2.853 ( 0.349 0.000 0.000) 0.349 2.983 ( 9.753 0.000 0.000) 9.753 3.275 ( 6.278 0.000 0.000) 6.278 3.770 ( 18.992 0.000 0.000) 18.992 3.828 ( 28.713 0.000 0.000) 28.713 4.036 ( 6.236 0.000 0.000) 6.236 4.130 ( 9.012 0.000 0.000) 9.012 4.216 ( 18.099 0.000 0.000) 18.099 4.218 ( -21.937 0.000 0.000) 21.937 4.395 ( 7.962 0.000 0.000) 7.962 4.465 ( -10.509 0.000 0.000) 10.509 4.516 ( 10.790 0.000 0.000) 10.790 4.565 ( 1.684 0.000 0.000) 1.684 4.663 ( -4.589 0.000 0.000) 4.589 4.826 ( -8.868 0.000 0.000) 8.868 5.055 ( 7.158 0.000 0.000) 7.158 5.066 ( -11.875 0.000 0.000) 11.875 5.154 ( 8.412 0.000 0.000) 8.412 5.673 ( 0.965 0.000 0.000) 0.965 5.868 ( -1.858 0.000 0.000) 1.858 5.983 ( 4.870 0.000 0.000) 4.870 6.173 ( 6.537 0.000 0.000) 6.537 6.290 ( 0.376 0.000 0.000) 0.376 6.366 ( 7.077 0.000 0.000) 7.077 6.546 ( -7.554 0.000 0.000) 7.554 6.705 ( -0.181 0.000 0.000) 0.181 6.722 ( -7.851 0.000 0.000) 7.851 6.815 ( 5.591 0.000 0.000) 5.591 6.819 ( 7.772 0.000 0.000) 7.772 6.863 ( -1.420 0.000 0.000) 1.420 7.055 ( -7.641 0.000 0.000) 7.641 7.196 ( -8.833 0.000 0.000) 8.833 7.205 ( -8.440 0.000 0.000) 8.440 7.208 ( -4.789 0.000 0.000) 4.789 7.390 ( -8.574 0.000 0.000) 8.574 7.427 ( -12.552 0.000 0.000) 12.552 7.500 ( -2.523 0.000 0.000) 2.523 7.631 ( -6.554 0.000 0.000) 6.554 8.058 ( 1.970 0.000 0.000) 1.970 8.138 ( -0.039 0.000 0.000) 0.039 8.272 ( 1.610 0.000 0.000) 1.610 8.384 ( -2.757 0.000 0.000) 2.757 8.868 ( 31.234 0.000 0.000) 31.234 9.028 ( 2.055 0.000 0.000) 2.055 9.339 ( -10.488 0.000 0.000) 10.488 9.424 ( 22.736 0.000 0.000) 22.736 10.065 ( -23.124 0.000 0.000) 23.124 10.317 ( -16.427 0.000 0.000) 16.427 10.356 ( 20.702 0.000 0.000) 20.702 10.362 ( 11.719 0.000 0.000) 11.719 11.109 ( -5.176 0.000 0.000) 5.176 11.685 ( -23.001 0.000 0.000) 23.001 11.877 ( 3.881 0.000 0.000) 3.881 12.147 ( -5.381 0.000 0.000) 5.381 12.679 ( -3.297 0.000 0.000) 3.297 12.903 ( -15.528 0.000 0.000) 15.528 12.954 ( 10.277 0.000 0.000) 10.277 13.177 ( 3.690 0.000 0.000) 3.690 13.362 ( 5.589 0.000 0.000) 5.589 13.580 ( -1.477 0.000 0.000) 1.477 13.651 ( 8.622 0.000 0.000) 8.622 13.693 ( 9.406 0.000 0.000) 9.406 13.886 ( 5.562 0.000 0.000) 5.562 14.180 ( -5.138 0.000 0.000) 5.138 14.200 ( 4.765 0.000 0.000) 4.765 14.200 ( 2.010 0.000 0.000) 2.010 14.488 ( 3.691 0.000 0.000) 3.691 14.555 ( -1.636 0.000 0.000) 1.636 14.880 ( -2.368 0.000 0.000) 2.368 14.913 ( 2.233 0.000 0.000) 2.233 15.066 ( 1.735 0.000 0.000) 1.735 15.069 ( 6.999 0.000 0.000) 6.999 15.271 ( 6.806 0.000 0.000) 6.806 15.389 ( -7.976 0.000 0.000) 7.976 15.592 ( 0.969 0.000 0.000) 0.969 15.627 ( 18.776 0.000 0.000) 18.776 15.641 ( 20.411 0.000 0.000) 20.411 15.645 ( -10.293 0.000 0.000) 10.293 15.913 ( -11.435 0.000 0.000) 11.435 15.967 ( -4.172 0.000 0.000) 4.172 16.502 ( -18.543 0.000 0.000) 18.543 16.546 ( -3.671 0.000 0.000) 3.671 16.674 ( -10.753 0.000 0.000) 10.753 16.988 ( -33.223 0.000 0.000) 33.223 16.999 ( -19.938 0.000 0.000) 19.938 17.254 ( -26.155 0.000 0.000) 26.155 20.926 ( 6.591 0.000 0.000) 6.591 21.004 ( 2.795 0.000 0.000) 2.795 21.088 ( 7.610 0.000 0.000) 7.610 21.229 ( 0.959 0.000 0.000) 0.959 21.673 ( 2.668 0.000 0.000) 2.668 21.733 ( -0.087 0.000 0.000) 0.087 22.011 ( 10.712 0.000 0.000) 10.712 22.089 ( 9.260 0.000 0.000) 9.260 22.801 ( -7.094 0.000 0.000) 7.094 22.821 ( -8.702 0.000 0.000) 8.702 22.886 ( 9.984 0.000 0.000) 9.984 23.339 ( -11.127 0.000 0.000) 11.127 ======================= Grid point 5 (6/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.113 0.000 0.000) 2.113 2.105 ( 2.113 0.000 0.000) 2.113 2.285 ( -11.866 0.000 0.000) 11.866 2.285 ( 11.866 0.000 0.000) 11.866 2.370 ( -10.616 0.000 0.000) 10.616 2.370 ( 10.616 0.000 0.000) 10.616 2.454 ( -4.488 0.000 0.000) 4.488 2.454 ( 4.488 0.000 0.000) 4.488 2.823 ( -3.693 0.000 0.000) 3.693 2.823 ( 3.693 0.000 0.000) 3.693 2.851 ( -12.564 0.000 0.000) 12.564 2.851 ( 12.564 0.000 0.000) 12.564 3.712 ( -25.623 0.000 0.000) 25.623 3.712 ( 25.623 0.000 0.000) 25.623 4.057 ( -3.744 0.000 0.000) 3.744 4.057 ( 3.744 0.000 0.000) 3.744 4.270 ( -7.682 0.000 0.000) 7.682 4.270 ( 7.682 0.000 0.000) 7.682 4.339 ( -9.245 0.000 0.000) 9.245 4.339 ( 9.245 0.000 0.000) 9.245 4.551 ( -14.479 0.000 0.000) 14.479 4.551 ( 14.479 0.000 0.000) 14.479 4.626 ( -0.528 0.000 0.000) 0.528 4.626 ( 0.528 0.000 0.000) 0.528 4.744 ( -16.316 0.000 0.000) 16.316 4.744 ( 16.316 0.000 0.000) 16.316 5.195 ( -4.033 0.000 0.000) 4.033 5.195 ( 4.033 0.000 0.000) 4.033 5.760 ( -6.610 0.000 0.000) 6.610 5.760 ( 6.610 0.000 0.000) 6.610 6.145 ( -7.551 0.000 0.000) 7.551 6.145 ( 7.551 0.000 0.000) 7.551 6.385 ( -7.258 0.000 0.000) 7.258 6.385 ( 7.258 0.000 0.000) 7.258 6.540 ( -8.598 0.000 0.000) 8.598 6.540 ( 8.598 0.000 0.000) 8.598 6.789 ( -6.701 0.000 0.000) 6.701 6.789 ( 6.701 0.000 0.000) 6.701 6.922 ( -4.250 0.000 0.000) 4.250 6.922 ( 4.250 0.000 0.000) 4.250 7.018 ( -8.854 0.000 0.000) 8.854 7.018 ( 8.854 0.000 0.000) 8.854 7.124 ( -1.682 0.000 0.000) 1.682 7.124 ( 1.682 0.000 0.000) 1.682 7.276 ( -0.131 0.000 0.000) 0.131 7.276 ( 0.131 0.000 0.000) 0.131 7.512 ( -3.761 0.000 0.000) 3.761 7.512 ( 3.761 0.000 0.000) 3.761 8.110 ( -2.352 0.000 0.000) 2.352 8.110 ( 2.352 0.000 0.000) 2.352 8.320 ( -2.925 0.000 0.000) 2.925 8.320 ( 2.925 0.000 0.000) 2.925 9.140 ( -8.075 0.000 0.000) 8.075 9.140 ( 8.075 0.000 0.000) 8.075 9.485 ( -26.354 0.000 0.000) 26.354 9.485 ( 26.354 0.000 0.000) 26.354 9.931 ( -19.227 0.000 0.000) 19.227 9.931 ( 19.227 0.000 0.000) 19.227 10.554 ( -3.796 0.000 0.000) 3.796 10.554 ( 3.796 0.000 0.000) 3.796 11.227 ( -18.070 0.000 0.000) 18.070 11.227 ( 18.070 0.000 0.000) 18.070 12.014 ( -7.585 0.000 0.000) 7.585 12.014 ( 7.585 0.000 0.000) 7.585 12.681 ( -4.850 0.000 0.000) 4.850 12.681 ( 4.850 0.000 0.000) 4.850 13.144 ( -6.852 0.000 0.000) 6.852 13.144 ( 6.852 0.000 0.000) 6.852 13.480 ( -6.537 0.000 0.000) 6.537 13.480 ( 6.537 0.000 0.000) 6.537 13.776 ( -1.863 0.000 0.000) 1.863 13.776 ( 1.863 0.000 0.000) 1.863 14.045 ( -7.965 0.000 0.000) 7.965 14.045 ( 7.965 0.000 0.000) 7.965 14.234 ( -0.737 0.000 0.000) 0.737 14.234 ( 0.737 0.000 0.000) 0.737 14.528 ( -0.970 0.000 0.000) 0.970 14.528 ( 0.970 0.000 0.000) 0.970 14.893 ( -2.531 0.000 0.000) 2.531 14.893 ( 2.531 0.000 0.000) 2.531 15.191 ( -9.310 0.000 0.000) 9.310 15.191 ( 9.310 0.000 0.000) 9.310 15.254 ( -9.371 0.000 0.000) 9.371 15.254 ( 9.371 0.000 0.000) 9.371 15.597 ( -8.214 0.000 0.000) 8.214 15.597 ( 8.214 0.000 0.000) 8.214 15.714 ( -8.867 0.000 0.000) 8.867 15.714 ( 8.867 0.000 0.000) 8.867 16.137 ( -17.224 0.000 0.000) 17.224 16.137 ( 17.224 0.000 0.000) 17.224 16.272 ( -31.388 0.000 0.000) 31.388 16.272 ( 31.388 0.000 0.000) 31.388 16.662 ( -10.923 0.000 0.000) 10.923 16.662 ( 10.923 0.000 0.000) 10.923 16.766 ( -17.677 0.000 0.000) 17.677 16.766 ( 17.677 0.000 0.000) 17.677 21.014 ( -1.858 0.000 0.000) 1.858 21.014 ( 1.858 0.000 0.000) 1.858 21.205 ( -3.419 0.000 0.000) 3.419 21.205 ( 3.419 0.000 0.000) 3.419 21.716 ( -1.440 0.000 0.000) 1.440 21.716 ( 1.440 0.000 0.000) 1.440 22.173 ( -2.637 0.000 0.000) 2.637 22.173 ( 2.637 0.000 0.000) 2.637 22.709 ( -0.147 0.000 0.000) 0.147 22.709 ( 0.147 0.000 0.000) 0.147 23.106 ( -11.039 0.000 0.000) 11.039 23.106 ( 11.039 0.000 0.000) 11.039 ======================= Grid point 11 (7/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 31.343 0.000) 31.343 0.740 ( 0.000 36.944 0.000) 36.944 1.089 ( 0.000 55.139 0.000) 55.139 1.731 ( 0.000 9.090 0.000) 9.090 1.929 ( 0.000 3.669 0.000) 3.669 2.004 ( 0.000 8.663 0.000) 8.663 2.118 ( 0.000 6.584 0.000) 6.584 2.326 ( 0.000 11.423 0.000) 11.423 2.679 ( 0.000 10.835 0.000) 10.835 2.752 ( 0.000 5.562 0.000) 5.562 2.874 ( 0.000 -6.310 0.000) 6.310 2.940 ( 0.000 15.913 0.000) 15.913 3.084 ( 0.000 -4.119 0.000) 4.119 3.085 ( 0.000 6.777 0.000) 6.777 3.254 ( 0.000 -2.163 0.000) 2.163 3.508 ( 0.000 -0.048 0.000) 0.048 3.547 ( 0.000 13.564 0.000) 13.564 3.687 ( 0.000 0.644 0.000) 0.644 3.746 ( 0.000 10.889 0.000) 10.889 3.958 ( 0.000 -3.357 0.000) 3.357 4.138 ( 0.000 7.058 0.000) 7.058 4.262 ( 0.000 11.481 0.000) 11.481 4.283 ( 0.000 -11.948 0.000) 11.948 4.866 ( 0.000 0.355 0.000) 0.355 5.022 ( 0.000 22.129 0.000) 22.129 5.078 ( 0.000 0.529 0.000) 0.529 5.089 ( 0.000 10.006 0.000) 10.006 5.204 ( 0.000 -0.168 0.000) 0.168 5.651 ( 0.000 -7.755 0.000) 7.755 5.766 ( 0.000 2.002 0.000) 2.002 5.855 ( 0.000 -6.947 0.000) 6.947 6.145 ( 0.000 13.437 0.000) 13.437 6.422 ( 0.000 -1.523 0.000) 1.523 6.548 ( 0.000 6.837 0.000) 6.837 6.587 ( 0.000 -7.488 0.000) 7.488 6.717 ( 0.000 4.109 0.000) 4.109 6.743 ( 0.000 0.199 0.000) 0.199 6.824 ( 0.000 0.129 0.000) 0.129 6.920 ( 0.000 6.153 0.000) 6.153 7.072 ( 0.000 -5.928 0.000) 5.928 7.173 ( 0.000 -5.337 0.000) 5.337 7.177 ( 0.000 3.480 0.000) 3.480 7.300 ( 0.000 -1.074 0.000) 1.074 7.376 ( 0.000 3.916 0.000) 3.916 7.559 ( 0.000 2.927 0.000) 2.927 7.602 ( 0.000 4.584 0.000) 4.584 7.723 ( 0.000 -2.748 0.000) 2.748 7.888 ( 0.000 1.162 0.000) 1.162 7.914 ( 0.000 -0.164 0.000) 0.164 8.112 ( 0.000 -2.090 0.000) 2.090 8.155 ( 0.000 11.546 0.000) 11.546 8.432 ( 0.000 16.418 0.000) 16.418 8.750 ( 0.000 18.974 0.000) 18.974 8.810 ( 0.000 -3.714 0.000) 3.714 9.294 ( 0.000 14.890 0.000) 14.890 9.483 ( 0.000 -4.904 0.000) 4.904 9.620 ( 0.000 5.993 0.000) 5.993 9.873 ( 0.000 -4.361 0.000) 4.361 10.999 ( 0.000 -6.195 0.000) 6.195 11.142 ( 0.000 -2.806 0.000) 2.806 11.623 ( 0.000 -4.898 0.000) 4.898 12.597 ( 0.000 -1.898 0.000) 1.898 12.602 ( 0.000 0.584 0.000) 0.584 12.603 ( 0.000 -11.341 0.000) 11.341 12.640 ( 0.000 -1.748 0.000) 1.748 12.641 ( 0.000 -11.279 0.000) 11.279 12.801 ( 0.000 -14.741 0.000) 14.741 13.023 ( 0.000 -4.648 0.000) 4.648 13.123 ( 0.000 5.695 0.000) 5.695 13.204 ( 0.000 4.829 0.000) 4.829 13.298 ( 0.000 -3.484 0.000) 3.484 13.441 ( 0.000 8.219 0.000) 8.219 13.509 ( 0.000 0.210 0.000) 0.210 14.008 ( 0.000 -8.995 0.000) 8.995 14.254 ( 0.000 -10.610 0.000) 10.610 14.276 ( 0.000 -5.296 0.000) 5.296 14.581 ( 0.000 16.607 0.000) 16.607 14.589 ( 0.000 4.037 0.000) 4.037 14.692 ( 0.000 -4.321 0.000) 4.321 14.808 ( 0.000 5.065 0.000) 5.065 15.143 ( 0.000 6.302 0.000) 6.302 15.250 ( 0.000 -1.157 0.000) 1.157 15.268 ( 0.000 -3.695 0.000) 3.695 15.567 ( 0.000 -2.633 0.000) 2.633 15.603 ( 0.000 1.252 0.000) 1.252 15.816 ( 0.000 2.920 0.000) 2.920 15.901 ( 0.000 3.522 0.000) 3.522 16.424 ( 0.000 8.495 0.000) 8.495 16.947 ( 0.000 5.079 0.000) 5.079 17.255 ( 0.000 -9.198 0.000) 9.198 17.535 ( 0.000 6.519 0.000) 6.519 17.619 ( 0.000 -7.300 0.000) 7.300 17.898 ( 0.000 -5.865 0.000) 5.865 18.386 ( 0.000 -4.124 0.000) 4.124 18.616 ( 0.000 -4.361 0.000) 4.361 18.627 ( 0.000 0.061 0.000) 0.061 19.874 ( 0.000 -3.756 0.000) 3.756 20.205 ( 0.000 -0.027 0.000) 0.027 20.283 ( 0.000 -1.725 0.000) 1.725 20.918 ( 0.000 24.219 0.000) 24.219 20.971 ( 0.000 -0.495 0.000) 0.495 21.378 ( 0.000 5.987 0.000) 5.987 21.404 ( 0.000 -2.113 0.000) 2.113 21.535 ( 0.000 -0.894 0.000) 0.894 21.749 ( 0.000 4.719 0.000) 4.719 23.128 ( 0.000 -4.239 0.000) 4.239 23.207 ( 0.000 -2.639 0.000) 2.639 23.844 ( 0.000 -3.490 0.000) 3.490 ======================= Grid point 12 (8/60) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 17.313 17.130 0.000) 24.355 0.937 ( 24.484 18.206 0.000) 30.511 1.655 ( 33.813 35.515 0.000) 49.037 1.819 ( 7.644 7.506 0.000) 10.713 1.896 ( -1.107 3.872 0.000) 4.028 2.028 ( 2.772 9.240 0.000) 9.646 2.128 ( 3.375 15.188 0.000) 15.559 2.344 ( 1.626 9.897 0.000) 10.030 2.712 ( -3.194 0.849 0.000) 3.305 2.760 ( -4.711 7.392 0.000) 8.766 2.811 ( 7.728 5.548 0.000) 9.513 2.923 ( -1.612 -2.863 0.000) 3.285 3.038 ( -3.252 -3.293 0.000) 4.628 3.174 ( 5.154 6.721 0.000) 8.470 3.352 ( 4.152 1.739 0.000) 4.501 3.447 ( -2.904 6.244 0.000) 6.886 3.525 ( -3.879 -0.432 0.000) 3.903 3.684 ( 5.189 6.181 0.000) 8.070 3.824 ( 11.619 3.390 0.000) 12.103 4.088 ( 3.852 0.930 0.000) 3.962 4.282 ( 11.606 7.560 0.000) 13.851 4.292 ( 5.903 -3.422 0.000) 6.823 4.336 ( 3.700 6.348 0.000) 7.348 4.823 ( -8.925 10.830 0.000) 14.034 4.889 ( 1.993 -0.025 0.000) 1.993 5.050 ( -3.776 7.895 0.000) 8.752 5.157 ( -4.802 0.432 0.000) 4.821 5.299 ( 12.904 8.472 0.000) 15.437 5.597 ( -5.570 -5.119 0.000) 7.565 5.691 ( -3.597 1.335 0.000) 3.836 5.767 ( -5.436 -9.761 0.000) 11.173 6.182 ( 1.573 12.892 0.000) 12.988 6.503 ( 0.853 -1.553 0.000) 1.771 6.543 ( -2.011 -1.886 0.000) 2.757 6.588 ( 1.338 0.456 0.000) 1.414 6.660 ( -2.354 1.287 0.000) 2.682 6.774 ( 2.358 4.529 0.000) 5.106 6.879 ( -0.871 -3.228 0.000) 3.343 7.010 ( 11.058 -1.514 0.000) 11.161 7.070 ( -5.834 1.177 0.000) 5.952 7.199 ( -1.417 1.353 0.000) 1.959 7.252 ( 10.298 -3.790 0.000) 10.973 7.373 ( 7.913 -3.231 0.000) 8.547 7.485 ( 6.375 1.374 0.000) 6.521 7.513 ( -1.968 6.802 0.000) 7.081 7.643 ( 3.788 5.543 0.000) 6.714 7.703 ( -1.394 -1.854 0.000) 2.320 7.835 ( -3.261 0.574 0.000) 3.312 7.895 ( -0.968 -0.100 0.000) 0.973 8.100 ( -1.464 -0.829 0.000) 1.683 8.171 ( 0.342 11.897 0.000) 11.902 8.414 ( -1.743 16.312 0.000) 16.405 8.746 ( -0.876 16.866 0.000) 16.889 8.768 ( -3.240 -2.409 0.000) 4.037 9.363 ( 6.929 14.951 0.000) 16.479 9.378 ( -6.410 4.414 0.000) 7.783 9.647 ( 2.110 -8.463 0.000) 8.722 9.837 ( -3.455 -4.212 0.000) 5.447 10.962 ( -5.295 -4.361 0.000) 6.860 11.065 ( -7.228 -2.358 0.000) 7.603 11.563 ( -5.428 -4.625 0.000) 7.131 12.475 ( -4.605 -9.552 0.000) 10.604 12.564 ( -3.597 -3.630 0.000) 5.110 12.637 ( -4.144 -3.853 0.000) 5.658 12.661 ( -9.027 -12.241 0.000) 15.210 12.668 ( 2.781 2.484 0.000) 3.729 12.860 ( 10.179 -9.369 0.000) 13.834 12.998 ( 1.280 2.160 0.000) 2.511 13.040 ( -2.354 7.003 0.000) 7.388 13.088 ( -9.277 9.390 0.000) 13.200 13.355 ( 4.525 -1.570 0.000) 4.789 13.444 ( -1.875 6.876 0.000) 7.127 13.595 ( 5.499 -0.651 0.000) 5.538 13.835 ( -6.585 24.421 0.000) 25.294 14.149 ( -1.044 1.489 0.000) 1.819 14.183 ( -4.651 -10.913 0.000) 11.863 14.379 ( 7.009 -6.341 0.000) 9.452 14.537 ( -5.578 4.653 0.000) 7.263 14.698 ( 0.472 -4.871 0.000) 4.894 14.741 ( -4.249 5.335 0.000) 6.820 15.118 ( -0.993 6.326 0.000) 6.404 15.193 ( -5.269 -2.085 0.000) 5.666 15.243 ( -2.454 -1.792 0.000) 3.039 15.458 ( -7.821 0.547 0.000) 7.840 15.532 ( -19.676 4.106 0.000) 20.100 15.638 ( 1.185 -1.322 0.000) 1.776 15.913 ( 0.956 3.839 0.000) 3.956 16.338 ( -7.560 6.865 0.000) 10.212 16.559 ( -23.004 4.602 0.000) 23.460 17.205 ( -17.967 -1.217 0.000) 18.008 17.405 ( -1.246 1.445 0.000) 1.908 17.516 ( -10.650 -7.773 0.000) 13.185 17.954 ( -1.531 -6.084 0.000) 6.273 18.185 ( -18.438 -4.387 0.000) 18.953 18.508 ( -10.443 -3.832 0.000) 11.124 18.510 ( -10.945 0.286 0.000) 10.949 20.256 ( 10.394 -17.399 0.000) 20.268 20.261 ( 5.646 -1.851 0.000) 5.941 20.473 ( 17.669 -3.350 0.000) 17.984 21.006 ( 3.164 0.025 0.000) 3.165 21.088 ( 13.118 17.319 0.000) 21.727 21.469 ( 7.639 5.523 0.000) 9.427 21.471 ( 5.816 -1.096 0.000) 5.919 21.572 ( 6.472 8.549 0.000) 10.723 22.148 ( 20.604 -10.443 0.000) 23.099 23.106 ( -2.097 -4.105 0.000) 4.610 23.190 ( -1.815 -2.354 0.000) 2.973 23.810 ( -3.270 -3.212 0.000) 4.584 ======================= Grid point 13 (9/60) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 32.689 -12.922 0.000) 35.151 1.455 ( 23.312 8.693 0.000) 24.880 1.819 ( 0.323 9.309 0.000) 9.314 1.983 ( 6.565 2.677 0.000) 7.090 2.145 ( 8.300 9.026 0.000) 12.262 2.150 ( 4.941 6.033 0.000) 7.798 2.393 ( 3.151 7.893 0.000) 8.499 2.507 ( 29.357 27.365 0.000) 40.133 2.624 ( -5.321 -5.801 0.000) 7.871 2.659 ( -0.058 5.572 0.000) 5.572 2.860 ( -1.111 -1.294 0.000) 1.705 3.011 ( 1.072 0.594 0.000) 1.226 3.042 ( 9.091 -2.588 0.000) 9.453 3.212 ( -1.129 7.875 0.000) 7.955 3.221 ( -6.844 5.796 0.000) 8.969 3.492 ( 4.494 -4.530 0.000) 6.381 3.664 ( 15.065 -6.299 0.000) 16.328 3.916 ( 13.154 0.912 0.000) 13.185 4.082 ( -0.427 4.138 0.000) 4.160 4.121 ( 15.749 4.644 0.000) 16.419 4.308 ( -7.273 7.895 0.000) 10.735 4.510 ( 11.375 0.471 0.000) 11.384 4.537 ( 10.545 5.579 0.000) 11.930 4.783 ( 6.262 8.389 0.000) 10.468 4.910 ( -4.231 -1.113 0.000) 4.375 4.953 ( -3.628 -0.100 0.000) 3.630 4.994 ( -8.158 3.453 0.000) 8.858 5.448 ( -7.229 -2.514 0.000) 7.654 5.576 ( 9.319 -0.558 0.000) 9.336 5.624 ( 0.662 -1.731 0.000) 1.853 5.690 ( -2.155 -9.817 0.000) 10.050 6.180 ( -1.607 9.739 0.000) 9.871 6.464 ( -4.919 -2.213 0.000) 5.394 6.465 ( -3.393 4.490 0.000) 5.628 6.615 ( 0.233 0.049 0.000) 0.238 6.638 ( 0.149 1.587 0.000) 1.594 6.805 ( -4.067 -1.934 0.000) 4.503 6.814 ( 0.823 2.480 0.000) 2.613 6.994 ( -0.661 7.281 0.000) 7.311 7.137 ( -4.892 3.363 0.000) 5.937 7.265 ( 6.455 -1.312 0.000) 6.587 7.349 ( 0.818 0.102 0.000) 0.824 7.418 ( -3.818 -6.975 0.000) 7.951 7.567 ( 7.784 5.437 0.000) 9.495 7.592 ( -1.469 4.569 0.000) 4.799 7.678 ( 1.643 -3.741 0.000) 4.086 7.708 ( 1.585 5.653 0.000) 5.871 7.840 ( 5.860 6.122 0.000) 8.475 7.927 ( 0.628 0.181 0.000) 0.654 8.058 ( 0.008 0.618 0.000) 0.618 8.150 ( -2.119 8.792 0.000) 9.044 8.369 ( -2.289 15.815 0.000) 15.980 8.718 ( -1.292 18.845 0.000) 18.889 8.746 ( 3.828 1.818 0.000) 4.238 9.234 ( -7.393 2.620 0.000) 7.844 9.584 ( 12.989 13.237 0.000) 18.545 9.734 ( -5.268 -3.215 0.000) 6.172 9.752 ( 8.516 -12.395 0.000) 15.039 10.791 ( -9.899 -2.413 0.000) 10.189 10.850 ( -13.289 -1.391 0.000) 13.362 11.415 ( -8.324 -4.228 0.000) 9.336 12.254 ( -17.173 3.583 0.000) 17.542 12.399 ( -4.292 -6.492 0.000) 7.783 12.439 ( -10.691 -2.850 0.000) 11.064 12.661 ( -0.461 3.881 0.000) 3.908 12.723 ( 3.438 -6.025 0.000) 6.937 12.996 ( 1.691 2.851 0.000) 3.315 13.038 ( 1.090 1.218 0.000) 1.634 13.041 ( 10.509 -5.266 0.000) 11.755 13.166 ( 8.326 -5.315 0.000) 9.878 13.427 ( 0.738 1.966 0.000) 2.100 13.504 ( 8.689 -5.346 0.000) 10.202 13.640 ( -2.716 0.584 0.000) 2.778 13.908 ( 7.183 10.782 0.000) 12.956 14.076 ( -3.505 -9.092 0.000) 9.745 14.235 ( 7.007 -3.921 0.000) 8.030 14.402 ( -5.271 3.368 0.000) 6.255 14.517 ( 2.971 -7.188 0.000) 7.778 14.714 ( 1.280 -6.851 0.000) 6.970 14.739 ( 6.363 0.811 0.000) 6.414 15.015 ( -8.888 0.106 0.000) 8.888 15.134 ( 2.629 7.069 0.000) 7.542 15.168 ( -4.088 2.899 0.000) 5.012 15.269 ( -9.734 2.371 0.000) 10.019 15.288 ( -2.905 -1.431 0.000) 3.238 15.645 ( -0.626 0.068 0.000) 0.630 15.928 ( 0.127 5.136 0.000) 5.138 16.112 ( -18.990 6.712 0.000) 20.141 16.150 ( -9.419 2.114 0.000) 9.653 16.735 ( -24.235 -0.483 0.000) 24.240 17.177 ( -20.531 -8.102 0.000) 22.072 17.284 ( -11.969 2.163 0.000) 12.163 17.675 ( -28.892 -4.660 0.000) 29.265 17.771 ( -14.860 -6.242 0.000) 16.117 18.187 ( -19.805 1.522 0.000) 19.864 18.209 ( -17.678 -2.729 0.000) 17.887 20.432 ( 8.590 -14.639 0.000) 16.974 20.437 ( 10.713 -5.009 0.000) 11.826 20.813 ( 14.236 -0.995 0.000) 14.271 21.084 ( 3.745 -0.622 0.000) 3.796 21.332 ( 8.750 2.715 0.000) 9.162 21.594 ( 5.421 -2.919 0.000) 6.157 21.663 ( 9.993 8.435 0.000) 13.077 21.789 ( 13.004 15.429 0.000) 20.178 22.469 ( 11.977 -2.766 0.000) 12.292 23.038 ( -4.436 -3.685 0.000) 5.767 23.125 ( -4.513 -1.584 0.000) 4.783 23.709 ( -6.396 -2.407 0.000) 6.834 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 7.576 5.056 0.000) 9.108 1.871 ( 16.324 5.465 0.000) 17.215 2.014 ( 29.177 -18.149 0.000) 34.361 2.101 ( 5.248 -3.347 0.000) 6.224 2.181 ( 0.094 6.019 0.000) 6.020 2.283 ( 3.141 4.929 0.000) 5.845 2.446 ( -0.429 0.368 0.000) 0.565 2.566 ( 3.429 0.203 0.000) 3.435 2.649 ( -6.389 -3.864 0.000) 7.467 2.670 ( 2.937 0.300 0.000) 2.953 2.946 ( -7.056 11.032 0.000) 13.096 3.018 ( -5.982 2.193 0.000) 6.371 3.235 ( 10.805 -0.728 0.000) 10.829 3.298 ( 13.821 -8.080 0.000) 16.010 3.405 ( 26.251 22.550 0.000) 34.607 3.663 ( 11.037 -11.724 0.000) 16.101 3.992 ( 15.530 -10.691 0.000) 18.855 4.074 ( -0.012 4.714 0.000) 4.714 4.105 ( 1.556 -0.590 0.000) 1.664 4.299 ( 12.655 9.409 0.000) 15.770 4.420 ( 11.226 2.308 0.000) 11.461 4.502 ( -16.107 -9.415 0.000) 18.657 4.670 ( 2.816 -1.036 0.000) 3.000 4.699 ( -12.209 -1.139 0.000) 12.262 4.895 ( 3.442 1.019 0.000) 3.590 5.001 ( 12.424 7.601 0.000) 14.565 5.009 ( 2.383 5.965 0.000) 6.423 5.310 ( -6.560 1.718 0.000) 6.781 5.514 ( -3.618 -13.742 0.000) 14.210 5.672 ( 0.809 -7.840 0.000) 7.881 5.878 ( 12.231 -2.074 0.000) 12.406 6.122 ( -3.847 3.089 0.000) 4.933 6.370 ( -3.259 3.822 0.000) 5.023 6.387 ( -3.372 3.969 0.000) 5.207 6.605 ( -0.424 -2.995 0.000) 3.025 6.655 ( 0.495 4.495 0.000) 4.522 6.726 ( -2.506 1.319 0.000) 2.832 6.844 ( 2.611 2.358 0.000) 3.518 6.978 ( -8.337 6.125 0.000) 10.345 7.043 ( 2.715 9.639 0.000) 10.014 7.229 ( -5.266 5.252 0.000) 7.438 7.288 ( -7.558 -6.840 0.000) 10.193 7.364 ( -0.234 4.819 0.000) 4.825 7.454 ( -8.134 5.022 0.000) 9.560 7.550 ( -6.227 2.585 0.000) 6.742 7.732 ( 0.905 1.117 0.000) 1.438 7.777 ( -3.324 14.166 0.000) 14.551 7.781 ( -11.242 4.965 0.000) 12.290 8.069 ( 6.325 -0.728 0.000) 6.367 8.109 ( 1.076 4.228 0.000) 4.363 8.206 ( 17.937 1.511 0.000) 18.001 8.334 ( -0.334 10.029 0.000) 10.035 8.702 ( -0.466 20.749 0.000) 20.754 8.996 ( 18.889 3.731 0.000) 19.253 9.111 ( -2.794 4.560 0.000) 5.348 9.534 ( -9.661 -2.101 0.000) 9.887 9.975 ( 19.598 9.076 0.000) 21.598 9.984 ( 13.024 -11.459 0.000) 17.347 10.523 ( -17.502 0.945 0.000) 17.527 10.571 ( -11.499 -3.453 0.000) 12.007 11.230 ( -9.136 -4.322 0.000) 10.107 11.970 ( -10.296 1.784 0.000) 10.449 12.146 ( -15.887 4.249 0.000) 16.445 12.285 ( -5.579 1.117 0.000) 5.690 12.736 ( 6.484 -1.477 0.000) 6.650 12.750 ( -1.801 -1.702 0.000) 2.478 13.055 ( 2.563 -0.972 0.000) 2.741 13.121 ( 8.500 -6.488 0.000) 10.694 13.162 ( -9.279 -9.880 0.000) 13.554 13.296 ( 12.101 -5.987 0.000) 13.502 13.474 ( 4.090 -1.194 0.000) 4.261 13.590 ( 1.366 0.730 0.000) 1.549 13.669 ( 5.886 -9.831 0.000) 11.459 14.059 ( 7.015 2.556 0.000) 7.466 14.073 ( 1.789 -7.411 0.000) 7.624 14.314 ( -4.131 2.743 0.000) 4.958 14.381 ( 5.144 -1.597 0.000) 5.387 14.486 ( -3.884 -9.417 0.000) 10.187 14.778 ( 5.710 -8.439 0.000) 10.189 14.929 ( 0.075 0.191 0.000) 0.205 14.964 ( 9.480 -5.434 0.000) 10.927 15.100 ( -3.301 3.890 0.000) 5.102 15.112 ( -0.798 2.602 0.000) 2.721 15.236 ( 7.425 3.837 0.000) 8.358 15.343 ( 8.445 1.348 0.000) 8.552 15.610 ( -2.107 4.474 0.000) 4.945 15.789 ( -11.851 8.070 0.000) 14.338 15.875 ( -6.842 6.037 0.000) 9.125 16.011 ( -2.447 -2.551 0.000) 3.535 16.254 ( -21.128 -2.345 0.000) 21.258 16.745 ( -19.021 -8.635 0.000) 20.889 16.936 ( -20.012 2.517 0.000) 20.170 17.058 ( -27.965 -2.397 0.000) 28.068 17.398 ( -19.637 -3.545 0.000) 19.955 17.702 ( -26.129 4.541 0.000) 26.521 17.788 ( -22.405 -0.226 0.000) 22.406 20.621 ( 9.234 -15.659 0.000) 18.178 20.672 ( 11.016 -6.290 0.000) 12.685 21.060 ( 9.211 2.817 0.000) 9.632 21.145 ( 1.913 -3.467 0.000) 3.959 21.463 ( 4.656 -5.694 0.000) 7.355 21.677 ( 2.312 -3.270 0.000) 4.005 21.873 ( 10.171 8.439 0.000) 13.216 22.044 ( 10.568 14.266 0.000) 17.754 22.688 ( 9.424 -0.028 0.000) 9.424 22.924 ( -6.357 -2.823 0.000) 6.956 23.004 ( -6.841 0.008 0.000) 6.841 23.548 ( -8.934 -1.147 0.000) 9.008 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.930 -0.510 0.000) 3.963 2.109 ( 3.285 -0.888 0.000) 3.402 2.161 ( 2.754 -0.995 0.000) 2.928 2.212 ( 4.963 8.791 0.000) 10.095 2.349 ( 6.116 -2.557 0.000) 6.629 2.468 ( 2.937 -1.426 0.000) 3.264 2.470 ( -4.568 -3.367 0.000) 5.675 2.578 ( 12.012 -17.668 0.000) 21.364 2.634 ( -0.749 6.085 0.000) 6.131 2.693 ( -2.538 2.553 0.000) 3.599 2.871 ( 3.060 9.700 0.000) 10.171 2.995 ( 9.280 -6.217 0.000) 11.170 3.220 ( -6.359 1.007 0.000) 6.438 3.642 ( 15.571 -12.569 0.000) 20.011 3.882 ( 8.436 -6.151 0.000) 10.441 3.953 ( 17.244 -7.035 0.000) 18.623 4.047 ( -21.575 -16.837 0.000) 27.367 4.139 ( 14.311 11.717 0.000) 18.496 4.279 ( 7.380 -9.920 0.000) 12.364 4.305 ( 12.291 1.833 0.000) 12.427 4.446 ( -10.603 -3.309 0.000) 11.107 4.531 ( -1.626 -3.861 0.000) 4.189 4.536 ( 6.108 1.182 0.000) 6.221 4.652 ( 0.175 1.365 0.000) 1.376 4.893 ( -5.182 5.524 0.000) 7.574 5.043 ( -2.489 3.116 0.000) 3.988 5.174 ( -3.329 4.693 0.000) 5.754 5.214 ( 5.907 3.116 0.000) 6.678 5.510 ( 4.197 -10.765 0.000) 11.554 5.719 ( 1.690 -5.966 0.000) 6.201 6.043 ( -2.243 -1.303 0.000) 2.594 6.056 ( 4.018 -9.692 0.000) 10.491 6.351 ( 1.403 5.066 0.000) 5.257 6.358 ( 1.195 -1.815 0.000) 2.173 6.614 ( -3.524 7.684 0.000) 8.453 6.615 ( 1.413 -5.287 0.000) 5.473 6.720 ( 0.193 4.726 0.000) 4.730 6.766 ( -10.431 4.320 0.000) 11.290 6.939 ( 6.211 1.442 0.000) 6.376 7.128 ( 3.102 5.121 0.000) 5.988 7.145 ( -1.024 14.094 0.000) 14.132 7.149 ( -3.331 5.127 0.000) 6.114 7.307 ( -5.421 9.776 0.000) 11.178 7.326 ( -3.632 8.824 0.000) 9.542 7.401 ( -7.085 4.830 0.000) 8.575 7.520 ( -13.095 7.538 0.000) 15.110 7.652 ( -5.424 11.740 0.000) 12.932 7.697 ( -3.901 6.269 0.000) 7.384 8.108 ( -0.154 5.926 0.000) 5.928 8.113 ( 0.709 0.415 0.000) 0.822 8.369 ( 3.497 9.195 0.000) 9.838 8.543 ( 1.628 11.848 0.000) 11.960 8.788 ( 14.551 -2.581 0.000) 14.778 9.193 ( 12.028 12.655 0.000) 17.459 9.315 ( -10.929 -2.274 0.000) 11.163 9.438 ( 21.622 1.199 0.000) 21.655 10.076 ( -19.269 1.413 0.000) 19.321 10.230 ( 0.115 -8.887 0.000) 8.887 10.330 ( -2.150 -2.902 0.000) 3.612 10.430 ( 15.409 6.803 0.000) 16.844 11.067 ( -4.306 -3.971 0.000) 5.858 11.665 ( -20.597 -2.031 0.000) 20.697 11.971 ( 0.851 8.999 0.000) 9.039 12.182 ( -4.752 3.684 0.000) 6.013 12.671 ( -4.089 -0.201 0.000) 4.094 12.783 ( -7.151 -8.203 0.000) 10.882 13.020 ( 3.722 2.221 0.000) 4.334 13.150 ( 5.083 -3.058 0.000) 5.932 13.303 ( 7.222 -6.722 0.000) 9.866 13.494 ( 3.606 -7.692 0.000) 8.495 13.562 ( 4.720 -9.091 0.000) 10.243 13.633 ( 2.817 -5.987 0.000) 6.616 13.779 ( 5.694 -8.767 0.000) 10.454 14.097 ( -1.830 -7.595 0.000) 7.812 14.177 ( 3.634 -2.069 0.000) 4.182 14.196 ( -5.476 -4.360 0.000) 7.000 14.414 ( -2.247 -9.250 0.000) 9.519 14.416 ( -1.004 -6.437 0.000) 6.515 14.927 ( 5.905 -0.415 0.000) 5.920 14.970 ( -1.109 6.766 0.000) 6.856 14.988 ( 5.600 -0.739 0.000) 5.649 15.155 ( 6.021 -0.166 0.000) 6.023 15.201 ( 3.041 -2.528 0.000) 3.955 15.369 ( 3.481 -5.891 0.000) 6.842 15.615 ( 5.037 5.503 0.000) 7.460 15.645 ( 6.508 0.906 0.000) 6.571 15.676 ( 1.677 5.961 0.000) 6.193 15.683 ( -2.372 1.058 0.000) 2.597 15.896 ( -9.445 -1.930 0.000) 9.640 15.961 ( -4.374 -1.453 0.000) 4.610 16.417 ( -11.282 -13.092 0.000) 17.282 16.509 ( -20.016 0.086 0.000) 20.016 16.675 ( -5.756 6.971 0.000) 9.041 17.002 ( -17.221 2.049 0.000) 17.343 17.145 ( -25.136 10.236 0.000) 27.140 17.302 ( -23.322 3.698 0.000) 23.613 20.799 ( 7.420 -14.602 0.000) 16.379 20.863 ( 6.486 -6.229 0.000) 8.993 21.166 ( 0.504 -5.995 0.000) 6.016 21.184 ( 2.651 3.540 0.000) 4.423 21.553 ( 4.301 -9.200 0.000) 10.155 21.689 ( -1.036 -4.281 0.000) 4.405 22.083 ( 9.702 6.595 0.000) 11.731 22.213 ( 5.407 9.720 0.000) 11.122 22.789 ( -6.044 -1.135 0.000) 6.150 22.793 ( -4.030 -2.210 0.000) 4.596 22.938 ( 6.170 4.278 0.000) 7.508 23.345 ( -10.310 0.438 0.000) 10.319 ======================= Grid point 16 (12/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -3.441 -3.519 0.000) 4.922 2.052 ( 3.441 -3.519 0.000) 4.922 2.286 ( -4.214 -2.953 0.000) 5.146 2.286 ( 4.214 -2.953 0.000) 5.146 2.389 ( -2.980 5.103 0.000) 5.909 2.389 ( 2.980 5.103 0.000) 5.909 2.553 ( -6.184 6.386 0.000) 8.889 2.553 ( 6.184 6.386 0.000) 8.889 2.654 ( -3.551 -7.226 0.000) 8.051 2.654 ( 3.551 -7.226 0.000) 8.051 3.020 ( -8.848 8.322 0.000) 12.147 3.020 ( 8.848 8.322 0.000) 12.147 3.457 ( -25.422 -21.893 0.000) 33.550 3.457 ( 25.422 -21.893 0.000) 33.550 3.956 ( -2.699 -10.820 0.000) 11.151 3.956 ( 2.699 -10.820 0.000) 11.151 4.248 ( -10.535 -6.984 0.000) 12.639 4.248 ( 10.535 -6.984 0.000) 12.639 4.312 ( -0.071 -0.640 0.000) 0.644 4.312 ( 0.071 -0.640 0.000) 0.644 4.447 ( -6.302 -8.494 0.000) 10.576 4.447 ( 6.302 -8.494 0.000) 10.576 4.755 ( -6.158 9.651 0.000) 11.448 4.755 ( 6.158 9.651 0.000) 11.448 4.781 ( -17.840 4.286 0.000) 18.348 4.781 ( 17.840 4.286 0.000) 18.348 5.229 ( -3.162 1.230 0.000) 3.393 5.229 ( 3.162 1.230 0.000) 3.393 5.653 ( -7.179 -6.166 0.000) 9.463 5.653 ( 7.179 -6.166 0.000) 9.463 6.062 ( -2.179 -6.765 0.000) 7.108 6.062 ( 2.179 -6.765 0.000) 7.108 6.392 ( -0.581 -3.830 0.000) 3.874 6.392 ( 0.581 -3.830 0.000) 3.874 6.592 ( -3.951 10.063 0.000) 10.811 6.592 ( 3.951 10.063 0.000) 10.811 6.672 ( -3.594 -3.970 0.000) 5.355 6.672 ( 3.594 -3.970 0.000) 5.355 7.070 ( -4.499 5.120 0.000) 6.816 7.070 ( 4.499 5.120 0.000) 6.816 7.204 ( -1.623 13.717 0.000) 13.812 7.204 ( 1.623 13.717 0.000) 13.812 7.251 ( -0.445 14.585 0.000) 14.592 7.251 ( 0.445 14.585 0.000) 14.592 7.305 ( -1.692 4.373 0.000) 4.689 7.305 ( 1.692 4.373 0.000) 4.689 7.618 ( -2.134 9.375 0.000) 9.615 7.618 ( 2.134 9.375 0.000) 9.615 8.113 ( -0.407 2.845 0.000) 2.874 8.113 ( 0.407 2.845 0.000) 2.874 8.465 ( -5.261 12.727 0.000) 13.772 8.465 ( 5.261 12.727 0.000) 13.772 9.079 ( -11.967 -4.930 0.000) 12.943 9.079 ( 11.967 -4.930 0.000) 12.943 9.577 ( -20.443 7.874 0.000) 21.907 9.577 ( 20.443 7.874 0.000) 21.907 9.917 ( -17.353 -1.583 0.000) 17.425 9.917 ( 17.353 -1.583 0.000) 17.425 10.522 ( -7.318 -3.396 0.000) 8.068 10.522 ( 7.318 -3.396 0.000) 8.068 11.226 ( -18.869 0.208 0.000) 18.870 11.226 ( 18.869 0.208 0.000) 18.870 12.066 ( -6.281 5.272 0.000) 8.200 12.066 ( 6.281 5.272 0.000) 8.200 12.644 ( -2.739 -2.985 0.000) 4.051 12.644 ( 2.739 -2.985 0.000) 4.051 13.158 ( -5.294 0.319 0.000) 5.303 13.158 ( 5.294 0.319 0.000) 5.303 13.429 ( -6.297 -5.105 0.000) 8.106 13.429 ( 6.297 -5.105 0.000) 8.106 13.673 ( -2.481 -10.563 0.000) 10.851 13.673 ( 2.481 -10.563 0.000) 10.851 13.925 ( -9.330 -12.753 0.000) 15.802 13.925 ( 9.330 -12.753 0.000) 15.802 14.195 ( -1.490 -4.307 0.000) 4.557 14.195 ( 1.490 -4.307 0.000) 4.557 14.393 ( -0.194 -8.383 0.000) 8.385 14.393 ( 0.194 -8.383 0.000) 8.385 14.972 ( -0.291 6.142 0.000) 6.148 14.972 ( 0.291 6.142 0.000) 6.148 15.126 ( -6.728 0.627 0.000) 6.757 15.126 ( 6.728 0.627 0.000) 6.757 15.386 ( -13.375 1.613 0.000) 13.472 15.386 ( 13.375 1.613 0.000) 13.472 15.545 ( -9.071 -6.720 0.000) 11.289 15.545 ( 9.071 -6.720 0.000) 11.289 15.670 ( -6.276 -2.497 0.000) 6.755 15.670 ( 6.276 -2.497 0.000) 6.755 16.112 ( -13.235 -0.231 0.000) 13.237 16.112 ( 13.235 -0.231 0.000) 13.237 16.179 ( -15.002 -4.928 0.000) 15.790 16.179 ( 15.002 -4.928 0.000) 15.790 16.733 ( -7.823 7.336 0.000) 10.724 16.733 ( 7.823 7.336 0.000) 10.724 16.909 ( -9.121 10.405 0.000) 13.837 16.909 ( 9.121 10.405 0.000) 13.837 20.908 ( -2.287 -10.303 0.000) 10.554 20.908 ( 2.287 -10.303 0.000) 10.554 21.187 ( -1.405 -1.842 0.000) 2.317 21.187 ( 1.405 -1.842 0.000) 2.317 21.639 ( -3.589 -7.017 0.000) 7.881 21.639 ( 3.589 -7.017 0.000) 7.881 22.239 ( -3.770 5.821 0.000) 6.936 22.239 ( 3.770 5.821 0.000) 6.936 22.714 ( -0.195 0.356 0.000) 0.406 22.714 ( 0.195 0.356 0.000) 0.406 23.129 ( -10.249 2.129 0.000) 10.468 23.129 ( 10.249 2.129 0.000) 10.468 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 29.218 0.000) 29.218 1.393 ( 0.000 30.358 0.000) 30.358 1.917 ( 0.000 9.434 0.000) 9.434 1.928 ( 0.000 15.151 0.000) 15.151 2.209 ( 0.000 41.694 0.000) 41.694 2.218 ( 0.000 12.763 0.000) 12.763 2.293 ( 0.000 11.093 0.000) 11.093 2.558 ( 0.000 10.322 0.000) 10.322 2.742 ( 0.000 -7.227 0.000) 7.227 2.743 ( 0.000 -5.951 0.000) 5.951 2.897 ( 0.000 9.883 0.000) 9.883 3.170 ( 0.000 -6.411 0.000) 6.411 3.219 ( 0.000 16.926 0.000) 16.926 3.242 ( 0.000 7.557 0.000) 7.557 3.342 ( 0.000 24.371 0.000) 24.371 3.426 ( 0.000 -7.634 0.000) 7.634 3.768 ( 0.000 7.660 0.000) 7.660 3.813 ( 0.000 13.479 0.000) 13.479 3.934 ( 0.000 1.289 0.000) 1.289 3.996 ( 0.000 14.283 0.000) 14.283 4.232 ( 0.000 7.056 0.000) 7.056 4.337 ( 0.000 13.408 0.000) 13.408 4.534 ( 0.000 16.368 0.000) 16.368 4.875 ( 0.000 -0.396 0.000) 0.396 5.054 ( 0.000 -3.286 0.000) 3.286 5.200 ( 0.000 1.792 0.000) 1.792 5.350 ( 0.000 14.839 0.000) 14.839 5.432 ( 0.000 -14.822 0.000) 14.822 5.442 ( 0.000 20.861 0.000) 20.861 5.654 ( 0.000 -13.830 0.000) 13.830 5.877 ( 0.000 9.948 0.000) 9.948 6.320 ( 0.000 -9.070 0.000) 9.070 6.386 ( 0.000 -12.991 0.000) 12.991 6.417 ( 0.000 12.283 0.000) 12.283 6.708 ( 0.000 8.270 0.000) 8.270 6.731 ( 0.000 -3.847 0.000) 3.847 6.796 ( 0.000 3.067 0.000) 3.067 6.818 ( 0.000 -0.994 0.000) 0.994 7.021 ( 0.000 3.095 0.000) 3.095 7.064 ( 0.000 -6.258 0.000) 6.258 7.080 ( 0.000 10.358 0.000) 10.358 7.240 ( 0.000 3.844 0.000) 3.844 7.293 ( 0.000 0.669 0.000) 0.669 7.367 ( 0.000 -6.135 0.000) 6.135 7.561 ( 0.000 -2.914 0.000) 2.914 7.706 ( 0.000 1.976 0.000) 1.976 7.740 ( 0.000 9.657 0.000) 9.657 7.885 ( 0.000 -2.790 0.000) 2.790 7.949 ( 0.000 4.803 0.000) 4.803 8.102 ( 0.000 1.761 0.000) 1.761 8.422 ( 0.000 15.320 0.000) 15.320 8.704 ( 0.000 -7.240 0.000) 7.240 8.840 ( 0.000 24.364 0.000) 24.364 9.246 ( 0.000 30.575 0.000) 30.575 9.340 ( 0.000 -9.971 0.000) 9.971 9.720 ( 0.000 28.688 0.000) 28.688 9.751 ( 0.000 -8.216 0.000) 8.216 9.794 ( 0.000 12.082 0.000) 12.082 10.823 ( 0.000 -11.946 0.000) 11.946 11.055 ( 0.000 -6.442 0.000) 6.442 11.485 ( 0.000 -9.398 0.000) 9.398 12.317 ( 0.000 -18.169 0.000) 18.169 12.400 ( 0.000 -12.785 0.000) 12.785 12.461 ( 0.000 -8.207 0.000) 8.207 12.520 ( 0.000 -11.738 0.000) 11.738 12.557 ( 0.000 -6.370 0.000) 6.370 12.676 ( 0.000 1.412 0.000) 1.412 12.898 ( 0.000 -9.262 0.000) 9.262 13.231 ( 0.000 5.322 0.000) 5.322 13.250 ( 0.000 0.551 0.000) 0.551 13.340 ( 0.000 8.077 0.000) 8.077 13.516 ( 0.000 0.599 0.000) 0.599 13.554 ( 0.000 3.587 0.000) 3.587 13.855 ( 0.000 -6.498 0.000) 6.498 14.063 ( 0.000 -9.018 0.000) 9.018 14.127 ( 0.000 -9.597 0.000) 9.597 14.604 ( 0.000 -4.247 0.000) 4.247 14.611 ( 0.000 -1.101 0.000) 1.101 14.943 ( 0.000 8.130 0.000) 8.130 14.954 ( 0.000 21.483 0.000) 21.483 15.197 ( 0.000 -2.832 0.000) 2.832 15.226 ( 0.000 -0.801 0.000) 0.801 15.324 ( 0.000 11.436 0.000) 11.436 15.523 ( 0.000 -1.070 0.000) 1.070 15.613 ( 0.000 -0.008 0.000) 0.008 15.884 ( 0.000 3.899 0.000) 3.899 16.030 ( 0.000 10.052 0.000) 10.052 16.644 ( 0.000 13.937 0.000) 13.937 17.017 ( 0.000 -14.879 0.000) 14.879 17.074 ( 0.000 7.827 0.000) 7.827 17.414 ( 0.000 -13.893 0.000) 13.893 17.709 ( 0.000 11.173 0.000) 11.173 17.718 ( 0.000 -12.757 0.000) 12.757 18.237 ( 0.000 -11.184 0.000) 11.184 18.466 ( 0.000 -11.750 0.000) 11.750 18.626 ( 0.000 -0.939 0.000) 0.939 19.782 ( 0.000 -3.360 0.000) 3.360 20.197 ( 0.000 -1.129 0.000) 1.129 20.392 ( 0.000 10.290 0.000) 10.290 20.954 ( 0.000 -0.521 0.000) 0.521 21.338 ( 0.000 -4.887 0.000) 4.887 21.401 ( 0.000 24.858 0.000) 24.858 21.500 ( 0.000 -3.017 0.000) 3.017 21.580 ( 0.000 14.833 0.000) 14.833 21.908 ( 0.000 12.647 0.000) 12.647 23.005 ( 0.000 -8.467 0.000) 8.467 23.122 ( 0.000 -6.440 0.000) 6.440 23.734 ( 0.000 -8.253 0.000) 8.253 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -5.113 33.097 0.000) 33.490 1.348 ( 13.031 23.097 0.000) 26.519 1.975 ( 5.072 7.911 0.000) 9.397 2.002 ( 2.021 6.346 0.000) 6.661 2.144 ( 3.667 15.687 0.000) 16.110 2.250 ( 3.005 12.650 0.000) 13.002 2.555 ( -0.110 9.526 0.000) 9.526 2.603 ( 19.305 31.333 0.000) 36.803 2.671 ( -6.213 -4.110 0.000) 7.449 2.751 ( 0.753 -7.176 0.000) 7.215 2.916 ( 0.721 6.747 0.000) 6.786 3.080 ( -9.374 14.072 0.000) 16.908 3.088 ( -6.091 6.819 0.000) 9.143 3.294 ( 7.038 -4.057 0.000) 8.124 3.374 ( 2.107 12.012 0.000) 12.196 3.471 ( -0.837 -1.842 0.000) 2.023 3.622 ( -10.470 10.595 0.000) 14.896 3.762 ( -2.052 2.252 0.000) 3.047 3.978 ( 12.371 11.034 0.000) 16.577 4.190 ( 4.313 9.492 0.000) 10.425 4.323 ( 10.755 8.854 0.000) 13.931 4.475 ( 10.604 12.028 0.000) 16.035 4.589 ( 4.128 16.693 0.000) 17.196 4.859 ( -2.397 -4.627 0.000) 5.211 4.915 ( -9.332 -1.172 0.000) 9.405 5.163 ( -3.937 0.916 0.000) 4.042 5.203 ( -9.146 3.676 0.000) 9.857 5.495 ( -3.310 -5.475 0.000) 6.398 5.533 ( 5.224 12.677 0.000) 13.711 5.553 ( -1.967 -7.932 0.000) 8.173 5.749 ( -7.709 6.446 0.000) 10.049 6.331 ( -3.458 -7.695 0.000) 8.436 6.465 ( 9.103 -2.728 0.000) 9.503 6.509 ( 4.282 9.638 0.000) 10.546 6.660 ( -2.731 3.223 0.000) 4.224 6.692 ( -2.096 0.173 0.000) 2.103 6.793 ( -1.627 -1.416 0.000) 2.157 6.852 ( -0.779 -0.366 0.000) 0.861 7.019 ( 8.546 2.939 0.000) 9.037 7.059 ( -1.483 -3.123 0.000) 3.457 7.246 ( 0.173 3.439 0.000) 3.443 7.278 ( 11.752 6.791 0.000) 13.574 7.317 ( 4.208 -2.133 0.000) 4.718 7.439 ( 4.325 -5.257 0.000) 6.808 7.584 ( 2.182 0.484 0.000) 2.235 7.732 ( 1.914 4.673 0.000) 5.049 7.763 ( 2.022 7.383 0.000) 7.655 7.885 ( 0.252 -1.131 0.000) 1.159 7.913 ( -1.820 7.026 0.000) 7.258 8.093 ( -0.610 0.784 0.000) 0.993 8.429 ( 0.009 14.486 0.000) 14.486 8.694 ( -0.586 -4.101 0.000) 4.143 8.818 ( -1.572 22.804 0.000) 22.858 9.221 ( -2.404 21.892 0.000) 22.023 9.292 ( -3.719 -1.919 0.000) 4.185 9.723 ( -2.745 -7.437 0.000) 7.927 9.732 ( -4.216 12.346 0.000) 13.046 9.780 ( 5.788 27.538 0.000) 28.140 10.806 ( -2.871 -11.317 0.000) 11.675 10.990 ( -6.196 -5.639 0.000) 8.377 11.433 ( -4.743 -8.818 0.000) 10.013 12.285 ( -3.860 -9.353 0.000) 10.119 12.286 ( -3.940 -19.048 0.000) 19.452 12.465 ( -4.111 -8.463 0.000) 9.409 12.578 ( 2.067 -5.457 0.000) 5.835 12.631 ( 8.749 -12.999 0.000) 15.669 12.708 ( 2.327 0.876 0.000) 2.486 12.930 ( 2.688 -7.269 0.000) 7.751 13.186 ( -2.317 7.631 0.000) 7.975 13.216 ( -5.625 2.595 0.000) 6.195 13.357 ( 4.993 4.122 0.000) 6.475 13.559 ( -2.038 4.454 0.000) 4.898 13.570 ( 3.703 -1.994 0.000) 4.206 13.913 ( 5.968 -5.115 0.000) 7.860 13.976 ( -5.066 -10.217 0.000) 11.404 14.230 ( 6.337 -8.370 0.000) 10.499 14.505 ( -24.840 20.038 0.000) 31.915 14.574 ( -3.618 -0.697 0.000) 3.684 14.619 ( -3.260 2.121 0.000) 3.890 14.889 ( -5.189 9.864 0.000) 11.146 15.162 ( -3.866 -0.945 0.000) 3.980 15.213 ( 0.091 -0.783 0.000) 0.788 15.272 ( -2.898 8.169 0.000) 8.667 15.469 ( -4.884 1.776 0.000) 5.197 15.636 ( 1.965 0.747 0.000) 2.102 15.655 ( -18.675 7.558 0.000) 20.146 16.017 ( -0.992 7.385 0.000) 7.452 16.528 ( -10.185 12.522 0.000) 16.141 16.626 ( -21.700 0.447 0.000) 21.705 17.126 ( -10.539 -4.782 0.000) 11.573 17.294 ( -12.036 -15.257 0.000) 19.433 17.488 ( -6.319 3.792 0.000) 7.369 17.806 ( -3.370 -6.770 0.000) 7.562 18.038 ( -17.994 -10.579 0.000) 20.873 18.372 ( -9.172 -10.709 0.000) 14.099 18.513 ( -10.391 -0.633 0.000) 10.410 19.980 ( 11.956 -9.602 0.000) 15.334 20.221 ( 3.015 -2.123 0.000) 3.687 20.516 ( 10.589 6.267 0.000) 12.304 20.994 ( 3.040 -0.865 0.000) 3.160 21.397 ( 5.030 -5.211 0.000) 7.242 21.411 ( 1.461 11.220 0.000) 11.315 21.680 ( 8.620 14.656 0.000) 17.003 21.702 ( 16.109 8.091 0.000) 18.027 22.122 ( 16.913 7.649 0.000) 18.562 22.991 ( -1.478 -7.855 0.000) 7.993 23.113 ( -1.020 -5.856 0.000) 5.945 23.709 ( -2.425 -7.553 0.000) 7.932 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 9.126 13.454 0.000) 16.257 1.667 ( 16.081 12.714 0.000) 20.500 2.044 ( 3.394 12.566 0.000) 13.016 2.082 ( 3.815 6.429 0.000) 7.475 2.262 ( 4.891 4.648 0.000) 6.747 2.331 ( 3.556 8.472 0.000) 9.188 2.518 ( -7.042 -2.989 0.000) 7.650 2.574 ( 2.542 9.611 0.000) 9.942 2.697 ( -7.421 -4.321 0.000) 8.587 2.769 ( -4.751 4.826 0.000) 6.772 3.007 ( -0.154 0.986 0.000) 0.998 3.028 ( 5.637 3.261 0.000) 6.513 3.054 ( 10.846 14.590 0.000) 18.180 3.357 ( -3.589 -1.980 0.000) 4.099 3.381 ( -10.532 6.124 0.000) 12.183 3.492 ( 9.854 -7.148 0.000) 12.174 3.537 ( 12.931 20.578 0.000) 24.303 3.851 ( 7.534 -5.082 0.000) 9.088 4.250 ( 12.106 6.253 0.000) 13.626 4.261 ( 2.715 10.744 0.000) 11.082 4.453 ( -3.617 7.226 0.000) 8.080 4.607 ( -7.804 -4.778 0.000) 9.151 4.634 ( 3.729 10.042 0.000) 10.712 4.784 ( 2.638 -3.449 0.000) 4.342 4.884 ( 7.452 2.235 0.000) 7.780 4.960 ( -14.489 -1.984 0.000) 14.624 5.101 ( 0.028 4.576 0.000) 4.576 5.370 ( -3.765 -5.177 0.000) 6.401 5.470 ( -8.710 -3.907 0.000) 9.546 5.604 ( 2.875 3.684 0.000) 4.673 5.752 ( 5.826 9.740 0.000) 11.350 6.218 ( -7.207 -5.972 0.000) 9.359 6.538 ( -1.046 6.456 0.000) 6.540 6.572 ( -2.177 5.632 0.000) 6.038 6.637 ( -0.032 4.412 0.000) 4.412 6.693 ( 3.959 2.595 0.000) 4.734 6.743 ( -0.597 -1.486 0.000) 1.602 6.827 ( -0.778 -1.132 0.000) 1.373 7.053 ( 0.872 -3.681 0.000) 3.783 7.220 ( -3.381 4.326 0.000) 5.490 7.284 ( 13.116 1.793 0.000) 13.238 7.343 ( -0.984 2.500 0.000) 2.686 7.437 ( 1.945 9.413 0.000) 9.612 7.574 ( 5.483 -6.238 0.000) 8.305 7.639 ( 1.960 1.728 0.000) 2.613 7.714 ( -1.744 7.456 0.000) 7.657 7.825 ( 6.365 7.598 0.000) 9.912 7.926 ( 1.061 -0.816 0.000) 1.339 7.970 ( 7.127 6.196 0.000) 9.444 8.094 ( 2.261 2.790 0.000) 3.591 8.380 ( -5.458 14.579 0.000) 15.567 8.668 ( -2.912 9.842 0.000) 10.264 8.846 ( 6.603 12.316 0.000) 13.974 9.167 ( -1.343 -4.057 0.000) 4.274 9.228 ( -2.464 25.187 0.000) 25.308 9.631 ( -6.052 -5.481 0.000) 8.165 9.688 ( 1.084 6.836 0.000) 6.921 9.960 ( 11.253 23.346 0.000) 25.916 10.677 ( -9.085 -9.139 0.000) 12.886 10.803 ( -11.448 -3.596 0.000) 11.999 11.300 ( -7.784 -7.609 0.000) 10.885 12.123 ( -10.727 -13.520 0.000) 17.259 12.267 ( 1.617 -6.564 0.000) 6.760 12.399 ( -2.983 -3.912 0.000) 4.920 12.640 ( 3.658 -4.354 0.000) 5.687 12.711 ( -1.656 -1.929 0.000) 2.542 12.794 ( 6.332 -12.751 0.000) 14.237 12.950 ( -1.944 -5.113 0.000) 5.470 13.120 ( -2.134 4.581 0.000) 5.054 13.201 ( 3.517 5.367 0.000) 6.416 13.446 ( 0.698 3.914 0.000) 3.975 13.497 ( -0.237 0.169 0.000) 0.291 13.603 ( -1.840 -4.403 0.000) 4.772 13.890 ( -1.976 -9.728 0.000) 9.927 14.079 ( 7.372 -2.102 0.000) 7.666 14.150 ( -5.425 5.473 0.000) 7.706 14.342 ( 3.111 -8.039 0.000) 8.620 14.465 ( -6.370 -0.093 0.000) 6.370 14.599 ( -1.001 -3.255 0.000) 3.406 14.788 ( -2.023 6.033 0.000) 6.363 15.052 ( -5.858 3.342 0.000) 6.744 15.238 ( -1.646 1.933 0.000) 2.539 15.244 ( 3.216 3.640 0.000) 4.857 15.302 ( -11.085 4.639 0.000) 12.016 15.360 ( -3.832 7.986 0.000) 8.858 15.687 ( 2.520 3.609 0.000) 4.401 15.986 ( -2.177 0.811 0.000) 2.323 16.225 ( -16.402 3.045 0.000) 16.682 16.275 ( -12.804 11.034 0.000) 16.902 16.698 ( -25.316 -3.188 0.000) 25.516 16.927 ( -21.597 -17.515 0.000) 27.806 17.373 ( -11.194 6.980 0.000) 13.192 17.560 ( -25.804 -6.975 0.000) 26.731 17.597 ( -12.938 -11.309 0.000) 17.183 18.113 ( -15.147 -7.576 0.000) 16.936 18.213 ( -18.047 0.663 0.000) 18.059 20.173 ( 7.481 -11.062 0.000) 13.354 20.340 ( 8.208 -4.627 0.000) 9.423 20.771 ( 12.754 -1.170 0.000) 12.807 21.045 ( 1.315 -3.209 0.000) 3.468 21.444 ( 1.028 5.134 0.000) 5.236 21.511 ( 5.118 -5.457 0.000) 7.482 21.885 ( 9.986 13.924 0.000) 17.135 22.045 ( 14.968 11.044 0.000) 18.602 22.464 ( 14.149 3.843 0.000) 14.661 22.940 ( -3.379 -6.362 0.000) 7.204 23.073 ( -2.858 -3.944 0.000) 4.871 23.633 ( -4.908 -5.712 0.000) 7.530 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 20.852 -10.988 0.000) 23.570 1.977 ( 13.026 3.394 0.000) 13.461 2.110 ( 1.070 13.637 0.000) 13.679 2.115 ( 0.347 6.648 0.000) 6.657 2.286 ( -6.909 -4.547 0.000) 8.271 2.312 ( 1.097 6.103 0.000) 6.201 2.468 ( 2.039 4.356 0.000) 4.810 2.544 ( -5.344 -6.932 0.000) 8.753 2.682 ( 6.569 8.245 0.000) 10.542 2.691 ( -2.047 1.581 0.000) 2.586 3.027 ( -4.868 -0.800 0.000) 4.933 3.120 ( 10.675 -4.423 0.000) 11.555 3.158 ( -9.838 5.825 0.000) 11.433 3.223 ( 4.563 0.399 0.000) 4.580 3.409 ( 8.729 -10.636 0.000) 13.759 3.716 ( 9.614 -16.095 0.000) 18.748 3.852 ( 8.849 12.149 0.000) 15.030 4.067 ( 14.374 4.978 0.000) 15.211 4.174 ( -3.894 3.612 0.000) 5.312 4.231 ( -19.670 -16.999 0.000) 25.997 4.444 ( 2.436 -3.270 0.000) 4.078 4.491 ( 6.790 8.329 0.000) 10.746 4.598 ( -16.057 -10.543 0.000) 19.209 4.687 ( -0.697 2.041 0.000) 2.157 4.942 ( 5.510 4.569 0.000) 7.158 5.037 ( 4.028 -6.278 0.000) 7.460 5.134 ( 1.874 5.375 0.000) 5.692 5.311 ( -2.949 0.135 0.000) 2.952 5.374 ( 2.718 4.236 0.000) 5.033 5.670 ( 3.449 6.675 0.000) 7.513 5.862 ( 4.193 1.313 0.000) 4.394 6.068 ( -6.168 -5.214 0.000) 8.076 6.439 ( -7.702 1.595 0.000) 7.866 6.481 ( -4.328 3.452 0.000) 5.535 6.641 ( 0.205 5.995 0.000) 5.999 6.757 ( -0.246 0.781 0.000) 0.819 6.804 ( 6.132 7.832 0.000) 9.947 6.865 ( 4.682 5.008 0.000) 6.856 7.048 ( -2.782 -3.152 0.000) 4.204 7.104 ( -5.921 4.412 0.000) 7.384 7.336 ( 0.769 8.903 0.000) 8.936 7.396 ( -3.079 8.243 0.000) 8.799 7.477 ( 3.854 6.947 0.000) 7.944 7.559 ( -2.697 5.499 0.000) 6.125 7.642 ( -0.318 7.198 0.000) 7.205 7.772 ( 2.228 2.475 0.000) 3.330 7.858 ( -4.613 3.605 0.000) 5.854 8.013 ( -0.594 6.171 0.000) 6.200 8.112 ( 8.394 5.181 0.000) 9.864 8.203 ( 6.018 4.923 0.000) 7.775 8.292 ( 5.138 10.135 0.000) 11.363 8.592 ( -3.188 15.243 0.000) 15.573 9.095 ( 16.066 6.126 0.000) 17.195 9.111 ( -5.884 11.047 0.000) 12.517 9.258 ( 6.581 17.629 0.000) 18.818 9.473 ( -9.010 -3.671 0.000) 9.729 9.800 ( 9.482 -4.662 0.000) 10.567 10.214 ( 10.311 13.756 0.000) 17.191 10.460 ( -11.137 -7.792 0.000) 13.592 10.547 ( -10.581 2.166 0.000) 10.801 11.120 ( -9.021 -6.577 0.000) 11.164 11.887 ( -11.737 -8.210 0.000) 14.324 12.292 ( -6.947 6.504 0.000) 9.516 12.309 ( 1.097 0.953 0.000) 1.453 12.669 ( -1.664 -6.787 0.000) 6.988 12.716 ( 2.764 -1.691 0.000) 3.240 12.899 ( 3.464 -12.141 0.000) 12.625 12.933 ( 2.382 -11.176 0.000) 11.427 13.074 ( -2.889 3.235 0.000) 4.337 13.272 ( 2.887 1.067 0.000) 3.078 13.417 ( -1.444 -3.188 0.000) 3.499 13.538 ( -2.432 -5.463 0.000) 5.980 13.547 ( 3.210 -4.037 0.000) 5.158 13.895 ( 1.404 -10.730 0.000) 10.822 14.094 ( 1.486 1.617 0.000) 2.196 14.231 ( -13.235 -13.328 0.000) 18.784 14.267 ( 5.021 -10.623 0.000) 11.750 14.399 ( -0.431 3.006 0.000) 3.037 14.595 ( 2.661 -7.243 0.000) 7.716 14.856 ( 7.611 -4.123 0.000) 8.656 14.988 ( 0.470 5.507 0.000) 5.527 15.170 ( -1.960 3.492 0.000) 4.004 15.178 ( -2.613 2.493 0.000) 3.612 15.344 ( 0.793 8.546 0.000) 8.583 15.407 ( 11.540 4.736 0.000) 12.474 15.702 ( -1.571 2.843 0.000) 3.249 15.937 ( -11.513 4.137 0.000) 12.234 15.949 ( -0.986 -4.736 0.000) 4.837 16.011 ( -13.160 6.544 0.000) 14.697 16.185 ( -22.374 -3.245 0.000) 22.608 16.491 ( -17.647 -12.418 0.000) 21.579 16.966 ( -23.785 -0.763 0.000) 23.797 17.065 ( -18.904 1.546 0.000) 18.967 17.363 ( -11.305 1.601 0.000) 11.418 17.756 ( -18.742 -3.548 0.000) 19.075 17.780 ( -22.843 3.097 0.000) 23.052 20.328 ( 7.800 -13.787 0.000) 15.841 20.538 ( 9.935 -7.166 0.000) 12.250 21.018 ( 10.705 -4.755 0.000) 11.713 21.043 ( -1.192 -6.608 0.000) 6.715 21.438 ( -1.676 0.665 0.000) 1.803 21.587 ( 1.840 -5.771 0.000) 6.057 22.074 ( 8.066 11.587 0.000) 14.118 22.290 ( 8.394 10.729 0.000) 13.622 22.690 ( 7.276 0.377 0.000) 7.286 22.855 ( -4.611 -4.200 0.000) 6.237 23.006 ( -2.643 0.384 0.000) 2.671 23.507 ( -7.070 -3.294 0.000) 7.799 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 2.300 -2.435 0.000) 3.349 2.074 ( -2.887 -2.134 0.000) 3.590 2.160 ( -0.632 -2.609 0.000) 2.685 2.191 ( 15.435 -15.008 0.000) 21.529 2.256 ( 9.289 -0.051 0.000) 9.289 2.333 ( -0.453 0.877 0.000) 0.987 2.489 ( 1.267 7.001 0.000) 7.115 2.536 ( 4.193 3.989 0.000) 5.787 2.688 ( 1.387 -5.032 0.000) 5.220 2.779 ( 0.188 8.465 0.000) 8.467 2.900 ( -5.401 -1.178 0.000) 5.528 3.005 ( -2.179 0.985 0.000) 2.391 3.255 ( -2.005 0.752 0.000) 2.142 3.362 ( 5.284 -12.312 0.000) 13.398 3.619 ( 7.824 -15.497 0.000) 17.360 3.661 ( -12.654 -20.675 0.000) 24.240 3.860 ( 2.234 -6.350 0.000) 6.731 4.041 ( 4.443 -14.440 0.000) 15.108 4.176 ( 4.043 -8.077 0.000) 9.032 4.305 ( -10.771 -11.435 0.000) 15.709 4.379 ( -8.228 -12.222 0.000) 14.733 4.426 ( -7.110 2.045 0.000) 7.398 4.535 ( 17.240 8.427 0.000) 19.190 4.772 ( 9.151 6.481 0.000) 11.213 5.003 ( -0.064 4.991 0.000) 4.991 5.086 ( 2.577 -10.746 0.000) 11.051 5.126 ( -4.862 4.870 0.000) 6.882 5.236 ( -3.220 1.961 0.000) 3.771 5.525 ( 8.186 8.900 0.000) 12.092 5.703 ( -1.234 3.210 0.000) 3.439 5.933 ( 3.031 -1.365 0.000) 3.324 6.005 ( 0.120 -0.589 0.000) 0.601 6.313 ( -3.516 -1.996 0.000) 4.043 6.377 ( -4.909 -0.733 0.000) 4.963 6.636 ( -0.067 4.485 0.000) 4.485 6.745 ( -0.314 3.070 0.000) 3.086 6.848 ( -3.643 9.787 0.000) 10.443 6.913 ( -7.202 8.629 0.000) 11.240 7.018 ( 9.338 6.814 0.000) 11.560 7.080 ( 2.257 0.571 0.000) 2.328 7.367 ( 1.174 9.015 0.000) 9.091 7.379 ( 3.180 9.836 0.000) 10.337 7.468 ( -2.802 6.132 0.000) 6.742 7.524 ( -0.968 11.548 0.000) 11.588 7.650 ( -9.328 5.366 0.000) 10.762 7.652 ( -0.948 17.682 0.000) 17.708 7.842 ( -7.149 6.353 0.000) 9.564 7.856 ( 0.131 9.786 0.000) 9.787 8.228 ( 2.713 11.971 0.000) 12.275 8.278 ( 0.572 10.248 0.000) 10.264 8.595 ( 4.501 13.668 0.000) 14.390 8.616 ( 18.863 -2.059 0.000) 18.975 8.951 ( -8.868 15.867 0.000) 18.177 9.259 ( -11.608 -3.320 0.000) 12.073 9.457 ( 12.028 13.689 0.000) 18.222 9.460 ( 17.765 0.720 0.000) 17.780 10.015 ( 5.953 -11.774 0.000) 13.194 10.116 ( -14.755 2.296 0.000) 14.933 10.255 ( -4.423 -4.581 0.000) 6.368 10.567 ( 2.998 5.390 0.000) 6.168 10.995 ( 1.668 -1.493 0.000) 2.238 11.609 ( -15.691 -3.722 0.000) 16.126 12.179 ( -2.334 11.291 0.000) 11.530 12.287 ( -3.100 6.681 0.000) 7.365 12.622 ( -2.741 -7.704 0.000) 8.178 12.696 ( -4.456 3.054 0.000) 5.402 12.985 ( 6.040 -6.228 0.000) 8.676 13.063 ( 8.371 -12.493 0.000) 15.038 13.078 ( 5.253 -8.078 0.000) 9.635 13.351 ( 3.548 -5.803 0.000) 6.802 13.375 ( -2.837 -8.769 0.000) 9.216 13.480 ( -3.734 -9.306 0.000) 10.027 13.612 ( 2.416 -8.379 0.000) 8.720 13.851 ( -13.904 -18.187 0.000) 22.893 13.982 ( -0.318 -12.627 0.000) 12.631 14.119 ( -0.838 -4.833 0.000) 4.905 14.291 ( 0.183 -5.197 0.000) 5.200 14.382 ( -1.509 3.366 0.000) 3.688 14.762 ( 12.551 -14.440 0.000) 19.132 15.030 ( 7.019 -3.676 0.000) 7.923 15.044 ( 3.862 5.233 0.000) 6.503 15.176 ( 3.295 -1.693 0.000) 3.704 15.182 ( 2.521 4.386 0.000) 5.059 15.324 ( -3.542 6.345 0.000) 7.267 15.590 ( -5.475 -7.856 0.000) 9.575 15.615 ( -21.992 -15.962 0.000) 27.174 15.687 ( 0.951 -0.595 0.000) 1.121 15.796 ( -2.636 10.325 0.000) 10.656 15.868 ( 3.089 0.663 0.000) 3.159 15.980 ( 2.308 6.047 0.000) 6.473 16.281 ( -3.169 -0.391 0.000) 3.193 16.494 ( -20.361 -1.522 0.000) 20.418 16.851 ( -1.846 10.269 0.000) 10.433 17.113 ( -11.764 8.887 0.000) 14.743 17.309 ( -20.462 6.682 0.000) 21.525 17.362 ( -18.061 2.300 0.000) 18.207 20.497 ( 8.199 -15.862 0.000) 17.856 20.696 ( 3.336 -11.000 0.000) 11.494 21.034 ( 1.979 -6.659 0.000) 6.947 21.191 ( 4.049 -2.832 0.000) 4.941 21.397 ( -0.324 -6.232 0.000) 6.241 21.578 ( -2.812 -7.001 0.000) 7.544 22.229 ( 7.019 7.889 0.000) 10.560 22.395 ( 1.700 8.629 0.000) 8.795 22.740 ( -1.648 -3.339 0.000) 3.724 22.763 ( -3.740 -1.436 0.000) 4.006 23.029 ( 5.165 4.812 0.000) 7.059 23.345 ( -8.234 -0.658 0.000) 8.260 ======================= Grid point 27 (18/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.964 -1.422 0.000) 2.424 2.004 ( 1.964 -1.422 0.000) 2.424 2.212 ( -4.423 -5.158 0.000) 6.794 2.212 ( 4.423 -5.158 0.000) 6.794 2.423 ( -4.930 -2.467 0.000) 5.512 2.423 ( 4.930 -2.466 0.000) 5.512 2.570 ( -5.543 0.189 0.000) 5.546 2.570 ( 5.543 0.189 0.000) 5.546 2.718 ( -0.307 8.059 0.000) 8.065 2.718 ( 0.307 8.059 0.000) 8.065 2.976 ( -11.867 -20.435 0.000) 23.631 2.976 ( 11.867 -20.435 0.000) 23.631 3.175 ( -0.207 3.170 0.000) 3.177 3.175 ( 0.208 3.170 0.000) 3.177 3.676 ( -1.736 -16.897 0.000) 16.986 3.676 ( 1.736 -16.897 0.000) 16.986 4.054 ( -9.306 -13.287 0.000) 16.222 4.054 ( 9.306 -13.287 0.000) 16.222 4.177 ( -1.487 -12.312 0.000) 12.401 4.177 ( 1.487 -12.312 0.000) 12.401 4.269 ( -1.799 -9.077 0.000) 9.254 4.269 ( 1.799 -9.077 0.000) 9.254 4.904 ( -14.428 6.606 0.000) 15.869 4.904 ( 14.428 6.606 0.000) 15.869 4.942 ( -6.513 8.424 0.000) 10.648 4.942 ( 6.513 8.424 0.000) 10.648 5.164 ( -4.382 -5.920 0.000) 7.365 5.164 ( 4.382 -5.920 0.000) 7.365 5.648 ( -3.711 5.010 0.000) 6.235 5.648 ( 3.711 5.010 0.000) 6.235 5.993 ( -2.266 0.613 0.000) 2.348 5.993 ( 2.266 0.613 0.000) 2.348 6.302 ( -2.003 -4.099 0.000) 4.562 6.302 ( 2.003 -4.099 0.000) 4.562 6.693 ( -5.546 5.068 0.000) 7.513 6.693 ( 5.546 5.068 0.000) 7.513 6.800 ( -2.854 9.218 0.000) 9.650 6.800 ( 2.854 9.218 0.000) 9.650 7.135 ( -0.299 3.517 0.000) 3.530 7.135 ( 0.299 3.517 0.000) 3.530 7.416 ( -2.086 9.051 0.000) 9.289 7.416 ( 2.086 9.051 0.000) 9.289 7.468 ( -4.358 10.761 0.000) 11.610 7.468 ( 4.358 10.761 0.000) 11.610 7.555 ( -4.400 13.299 0.000) 14.008 7.555 ( 4.400 13.299 0.000) 14.008 7.824 ( -2.405 12.020 0.000) 12.258 7.824 ( 2.405 12.020 0.000) 12.258 8.263 ( -1.150 12.176 0.000) 12.231 8.263 ( 1.151 12.176 0.000) 12.231 8.749 ( -8.901 15.616 0.000) 17.974 8.749 ( 8.901 15.616 0.000) 17.974 8.984 ( -14.917 -4.680 0.000) 15.634 8.984 ( 14.917 -4.680 0.000) 15.634 9.711 ( -5.801 2.950 0.000) 6.508 9.711 ( 5.801 2.950 0.000) 6.508 9.886 ( -5.215 0.360 0.000) 5.228 9.886 ( 5.215 0.360 0.000) 5.228 10.424 ( -12.430 -6.335 0.000) 13.951 10.424 ( 12.430 -6.335 0.000) 13.951 11.248 ( -17.668 2.251 0.000) 17.811 11.248 ( 17.668 2.251 0.000) 17.811 12.203 ( -3.785 8.272 0.000) 9.097 12.203 ( 3.785 8.272 0.000) 9.097 12.610 ( -2.297 0.657 0.000) 2.389 12.610 ( 2.297 0.657 0.000) 2.389 13.109 ( -3.317 -6.091 0.000) 6.935 13.109 ( 3.317 -6.091 0.000) 6.935 13.297 ( -8.349 -9.120 0.000) 12.364 13.297 ( 8.349 -9.120 0.000) 12.364 13.382 ( -6.673 -17.553 0.000) 18.779 13.382 ( 6.673 -17.553 0.000) 18.779 13.637 ( -1.845 -13.893 0.000) 14.015 13.637 ( 1.845 -13.893 0.000) 14.015 14.049 ( -4.344 -10.260 0.000) 11.142 14.049 ( 4.344 -10.260 0.000) 11.142 14.334 ( -2.916 1.386 0.000) 3.229 14.334 ( 2.916 1.386 0.000) 3.229 15.054 ( -8.391 -2.933 0.000) 8.889 15.054 ( 8.391 -2.933 0.000) 8.889 15.149 ( -11.169 -7.893 0.000) 13.677 15.149 ( 11.169 -7.893 0.000) 13.677 15.256 ( -4.531 2.424 0.000) 5.139 15.256 ( 4.531 2.424 0.000) 5.139 15.360 ( -10.129 -11.336 0.000) 15.202 15.360 ( 10.129 -11.336 0.000) 15.202 15.711 ( -1.660 5.192 0.000) 5.451 15.711 ( 1.660 5.192 0.000) 5.451 16.122 ( -5.759 -0.237 0.000) 5.764 16.122 ( 5.759 -0.237 0.000) 5.764 16.182 ( -4.759 4.257 0.000) 6.385 16.182 ( 4.759 4.257 0.000) 6.385 16.923 ( -6.386 11.694 0.000) 13.324 16.923 ( 6.386 11.694 0.000) 13.324 17.089 ( -3.696 8.115 0.000) 8.917 17.089 ( 3.696 8.115 0.000) 8.917 20.652 ( -6.043 -15.323 0.000) 16.472 20.652 ( 6.043 -15.323 0.000) 16.472 21.140 ( -6.311 -2.760 0.000) 6.888 21.140 ( 6.311 -2.760 0.000) 6.888 21.479 ( -5.978 -8.968 0.000) 10.777 21.479 ( 5.978 -8.968 0.000) 10.777 22.359 ( -4.818 6.069 0.000) 7.749 22.359 ( 4.818 6.069 0.000) 7.749 22.715 ( -0.514 -0.432 0.000) 0.672 22.715 ( 0.514 -0.432 0.000) 0.672 23.174 ( -7.989 2.241 0.000) 8.297 23.174 ( 7.989 2.242 0.000) 8.297 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 26.299 0.000) 26.299 1.893 ( 0.000 21.528 0.000) 21.528 2.088 ( 0.000 8.395 0.000) 8.395 2.092 ( 0.000 7.511 0.000) 7.511 2.450 ( 0.000 8.392 0.000) 8.392 2.516 ( 0.000 10.896 0.000) 10.896 2.604 ( 0.000 -6.666 0.000) 6.666 2.625 ( 0.000 -3.148 0.000) 3.148 2.668 ( 0.000 0.669 0.000) 0.669 2.998 ( 0.000 2.323 0.000) 2.323 3.032 ( 0.000 -7.198 0.000) 7.198 3.086 ( 0.000 -17.018 0.000) 17.018 3.095 ( 0.000 41.974 0.000) 41.974 3.544 ( 0.000 14.163 0.000) 14.163 3.611 ( 0.000 21.717 0.000) 21.717 3.827 ( 0.000 24.521 0.000) 24.521 3.929 ( 0.000 7.179 0.000) 7.179 4.027 ( 0.000 9.043 0.000) 9.043 4.044 ( 0.000 10.093 0.000) 10.093 4.270 ( 0.000 13.695 0.000) 13.695 4.471 ( 0.000 15.232 0.000) 15.232 4.628 ( 0.000 15.330 0.000) 15.330 4.769 ( 0.000 -0.609 0.000) 0.609 4.822 ( 0.000 -5.186 0.000) 5.186 5.053 ( 0.000 11.294 0.000) 11.294 5.088 ( 0.000 -20.806 0.000) 20.806 5.264 ( 0.000 5.018 0.000) 5.018 5.325 ( 0.000 -20.230 0.000) 20.230 5.644 ( 0.000 14.822 0.000) 14.822 5.775 ( 0.000 10.675 0.000) 10.675 6.104 ( 0.000 -15.923 0.000) 15.923 6.113 ( 0.000 -10.202 0.000) 10.202 6.131 ( 0.000 15.547 0.000) 15.547 6.577 ( 0.000 4.656 0.000) 4.656 6.617 ( 0.000 -5.568 0.000) 5.568 6.779 ( 0.000 -2.975 0.000) 2.975 6.791 ( 0.000 0.030 0.000) 0.030 6.824 ( 0.000 0.407 0.000) 0.407 6.925 ( 0.000 -8.322 0.000) 8.322 7.155 ( 0.000 8.371 0.000) 8.371 7.173 ( 0.000 -12.407 0.000) 12.407 7.308 ( 0.000 12.844 0.000) 12.844 7.310 ( 0.000 1.307 0.000) 1.307 7.349 ( 0.000 4.440 0.000) 4.440 7.474 ( 0.000 -5.341 0.000) 5.341 7.756 ( 0.000 1.537 0.000) 1.537 7.871 ( 0.000 3.825 0.000) 3.825 7.950 ( 0.000 11.386 0.000) 11.386 8.038 ( 0.000 3.645 0.000) 3.645 8.184 ( 0.000 7.001 0.000) 7.001 8.539 ( 0.000 -9.503 0.000) 9.503 8.729 ( 0.000 16.371 0.000) 16.371 9.098 ( 0.000 -15.224 0.000) 15.224 9.323 ( 0.000 25.204 0.000) 25.204 9.562 ( 0.000 -11.261 0.000) 11.261 9.847 ( 0.000 29.813 0.000) 29.813 10.083 ( 0.000 18.125 0.000) 18.125 10.342 ( 0.000 34.250 0.000) 34.250 10.548 ( 0.000 -16.358 0.000) 16.358 10.890 ( 0.000 -10.695 0.000) 10.695 11.260 ( 0.000 -14.100 0.000) 14.100 11.938 ( 0.000 -20.677 0.000) 20.677 12.183 ( 0.000 -8.896 0.000) 8.896 12.323 ( 0.000 -5.586 0.000) 5.586 12.367 ( 0.000 -4.542 0.000) 4.542 12.369 ( 0.000 -11.773 0.000) 11.773 12.656 ( 0.000 -3.606 0.000) 3.606 12.681 ( 0.000 -12.041 0.000) 12.041 13.305 ( 0.000 4.056 0.000) 4.056 13.323 ( 0.000 4.088 0.000) 4.088 13.508 ( 0.000 8.917 0.000) 8.917 13.532 ( 0.000 1.001 0.000) 1.001 13.588 ( 0.000 0.276 0.000) 0.276 13.765 ( 0.000 -2.841 0.000) 2.841 13.911 ( 0.000 -6.764 0.000) 6.764 13.941 ( 0.000 -8.918 0.000) 8.918 14.541 ( 0.000 -2.246 0.000) 2.246 14.573 ( 0.000 -2.355 0.000) 2.355 15.081 ( 0.000 5.339 0.000) 5.339 15.182 ( 0.000 1.519 0.000) 1.519 15.183 ( 0.000 -0.144 0.000) 0.144 15.418 ( 0.000 21.565 0.000) 21.565 15.457 ( 0.000 -1.205 0.000) 1.205 15.553 ( 0.000 4.416 0.000) 4.416 15.707 ( 0.000 12.979 0.000) 12.979 15.966 ( 0.000 5.372 0.000) 5.372 16.282 ( 0.000 15.920 0.000) 15.920 16.702 ( 0.000 -17.423 0.000) 17.423 16.949 ( 0.000 17.727 0.000) 17.727 17.087 ( 0.000 -19.973 0.000) 19.973 17.239 ( 0.000 9.297 0.000) 9.297 17.416 ( 0.000 -18.323 0.000) 18.323 17.947 ( 0.000 13.145 0.000) 13.145 17.977 ( 0.000 -15.093 0.000) 15.093 18.160 ( 0.000 -19.567 0.000) 19.567 18.568 ( 0.000 -5.395 0.000) 5.395 19.789 ( 0.000 4.017 0.000) 4.017 20.153 ( 0.000 -3.625 0.000) 3.625 20.612 ( 0.000 11.837 0.000) 11.837 20.981 ( 0.000 3.840 0.000) 3.840 21.214 ( 0.000 -7.923 0.000) 7.923 21.412 ( 0.000 -6.201 0.000) 6.201 21.836 ( 0.000 20.133 0.000) 20.133 21.923 ( 0.000 19.924 0.000) 19.924 22.256 ( 0.000 22.985 0.000) 22.985 22.803 ( 0.000 -12.566 0.000) 12.566 22.951 ( 0.000 -11.552 0.000) 11.552 23.518 ( 0.000 -14.411 0.000) 14.411 ======================= Grid point 34 (20/60) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 5.427 22.771 0.000) 23.409 1.868 ( -3.848 24.786 0.000) 25.083 2.118 ( 2.825 7.211 0.000) 7.744 2.127 ( 3.470 7.563 0.000) 8.321 2.394 ( -6.604 10.561 0.000) 12.456 2.430 ( -2.462 1.030 0.000) 2.668 2.601 ( -0.510 4.368 0.000) 4.397 2.612 ( 0.592 -6.102 0.000) 6.131 2.701 ( 1.964 2.694 0.000) 3.334 2.911 ( -6.750 -6.068 0.000) 9.076 3.053 ( 1.606 -8.663 0.000) 8.810 3.151 ( 4.051 5.055 0.000) 6.478 3.187 ( 3.732 12.676 0.000) 13.214 3.451 ( -11.594 17.711 0.000) 21.168 3.582 ( -0.615 20.323 0.000) 20.333 3.768 ( -0.638 19.632 0.000) 19.642 3.821 ( -8.972 8.898 0.000) 12.636 3.858 ( -7.083 11.766 0.000) 13.734 4.162 ( 7.984 6.405 0.000) 10.236 4.371 ( 3.527 7.572 0.000) 8.353 4.568 ( 7.220 14.500 0.000) 16.198 4.679 ( -11.761 -9.837 0.000) 15.332 4.718 ( 5.328 7.812 0.000) 9.456 4.775 ( -2.345 -8.232 0.000) 8.560 4.987 ( -2.016 20.184 0.000) 20.285 5.039 ( -4.872 -13.386 0.000) 14.245 5.197 ( -7.951 -9.102 0.000) 12.086 5.312 ( 1.922 -0.771 0.000) 2.071 5.669 ( -10.198 1.651 0.000) 10.331 5.682 ( 3.378 12.560 0.000) 13.006 5.954 ( -2.435 10.989 0.000) 11.256 6.093 ( -0.661 -14.500 0.000) 14.515 6.423 ( 14.396 0.234 0.000) 14.398 6.641 ( 2.359 -3.511 0.000) 4.230 6.651 ( -2.214 0.386 0.000) 2.247 6.703 ( 2.555 3.489 0.000) 4.325 6.796 ( 0.559 -2.143 0.000) 2.215 6.829 ( -1.297 2.048 0.000) 2.424 6.941 ( -2.128 -8.152 0.000) 8.425 7.140 ( 4.341 8.279 0.000) 9.348 7.210 ( 5.498 -9.140 0.000) 10.666 7.309 ( 0.897 1.803 0.000) 2.014 7.432 ( 5.379 3.577 0.000) 6.460 7.434 ( 8.271 5.402 0.000) 9.879 7.565 ( 7.521 1.313 0.000) 7.635 7.823 ( 4.281 3.473 0.000) 5.512 7.884 ( 1.149 3.160 0.000) 3.362 7.934 ( -0.267 9.169 0.000) 9.173 8.051 ( 0.689 6.473 0.000) 6.510 8.138 ( -2.880 3.656 0.000) 4.654 8.592 ( 4.847 -5.529 0.000) 7.353 8.718 ( -0.984 15.217 0.000) 15.249 9.033 ( -5.352 -14.137 0.000) 15.116 9.249 ( -5.758 17.933 0.000) 18.835 9.582 ( 0.773 -4.152 0.000) 4.223 9.838 ( -0.976 29.195 0.000) 29.211 10.023 ( -4.800 17.870 0.000) 18.503 10.366 ( 2.246 31.435 0.000) 31.516 10.544 ( -1.388 -15.411 0.000) 15.473 10.843 ( -4.480 -9.578 0.000) 10.574 11.225 ( -3.190 -12.671 0.000) 13.066 11.911 ( -2.622 -19.852 0.000) 20.024 12.139 ( -1.433 -5.391 0.000) 5.578 12.317 ( -2.099 -7.729 0.000) 8.009 12.403 ( 4.820 -9.674 0.000) 10.808 12.432 ( 3.478 -7.366 0.000) 8.146 12.684 ( 2.396 -3.430 0.000) 4.184 12.742 ( 5.123 -11.303 0.000) 12.410 13.254 ( -4.215 2.607 0.000) 4.956 13.321 ( -0.061 5.731 0.000) 5.731 13.474 ( -0.945 6.102 0.000) 6.175 13.528 ( -0.490 -1.604 0.000) 1.677 13.619 ( 0.662 2.159 0.000) 2.258 13.798 ( -5.214 -8.184 0.000) 9.704 13.838 ( 5.853 -2.146 0.000) 6.234 14.078 ( 7.123 -7.181 0.000) 10.114 14.518 ( -3.112 -2.449 0.000) 3.960 14.539 ( -3.411 -2.298 0.000) 4.112 15.037 ( -22.859 22.202 0.000) 31.866 15.071 ( -1.504 7.445 0.000) 7.596 15.177 ( -5.338 5.044 0.000) 7.344 15.225 ( 2.704 2.309 0.000) 3.555 15.384 ( -6.918 3.838 0.000) 7.911 15.534 ( -0.897 2.420 0.000) 2.581 15.704 ( 0.023 8.807 0.000) 8.807 15.793 ( -14.964 6.651 0.000) 16.376 16.204 ( -7.119 11.660 0.000) 13.662 16.520 ( -15.640 -11.022 0.000) 19.133 16.804 ( -11.336 14.666 0.000) 18.537 16.941 ( -14.748 -19.530 0.000) 24.473 17.086 ( -16.333 -0.664 0.000) 16.347 17.377 ( 0.268 -12.213 0.000) 12.216 17.805 ( -15.159 -12.676 0.000) 19.761 17.841 ( -11.743 6.734 0.000) 13.537 18.108 ( -5.026 -14.527 0.000) 15.372 18.463 ( -9.530 -4.896 0.000) 10.715 19.899 ( 8.023 0.755 0.000) 8.058 20.174 ( 2.369 -3.061 0.000) 3.870 20.668 ( 4.489 8.799 0.000) 9.878 20.992 ( 0.319 0.702 0.000) 0.771 21.280 ( 5.656 -6.280 0.000) 8.451 21.441 ( 2.307 -4.562 0.000) 5.112 21.959 ( 11.014 15.772 0.000) 19.237 22.007 ( 7.208 18.544 0.000) 19.895 22.397 ( 11.504 19.359 0.000) 22.519 22.805 ( 0.071 -11.382 0.000) 11.382 22.958 ( 0.605 -10.338 0.000) 10.356 23.512 ( -0.607 -12.996 0.000) 13.011 ======================= Grid point 35 (21/60) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -8.490 24.039 0.000) 25.495 1.928 ( 6.519 13.994 0.000) 15.438 2.195 ( 4.254 5.474 0.000) 6.933 2.239 ( 7.147 6.703 0.000) 9.798 2.337 ( -6.052 -4.980 0.000) 7.837 2.349 ( 1.293 5.312 0.000) 5.467 2.579 ( -6.001 -5.434 0.000) 8.095 2.600 ( -1.105 7.287 0.000) 7.370 2.759 ( 4.168 9.356 0.000) 10.243 2.775 ( -4.579 -5.975 0.000) 7.527 3.061 ( -1.718 -0.848 0.000) 1.916 3.148 ( -3.617 9.688 0.000) 10.341 3.237 ( 1.569 0.560 0.000) 1.666 3.252 ( -5.646 -3.012 0.000) 6.399 3.395 ( -11.528 11.656 0.000) 16.394 3.628 ( -7.935 9.969 0.000) 12.741 3.768 ( 1.740 0.163 0.000) 1.748 4.041 ( 17.318 23.701 0.000) 29.354 4.255 ( -5.491 -8.510 0.000) 10.128 4.368 ( -10.894 -11.137 0.000) 15.579 4.369 ( -6.474 -0.028 0.000) 6.474 4.540 ( -6.852 -3.383 0.000) 7.642 4.675 ( -15.880 -16.603 0.000) 22.975 4.764 ( 3.550 8.371 0.000) 9.093 4.940 ( 3.284 4.613 0.000) 5.663 5.037 ( 1.872 14.870 0.000) 14.987 5.157 ( 2.368 0.284 0.000) 2.385 5.339 ( 0.529 1.328 0.000) 1.430 5.477 ( -4.363 3.654 0.000) 5.692 5.766 ( 4.178 10.747 0.000) 11.530 5.934 ( -0.437 8.122 0.000) 8.134 6.052 ( -3.823 -10.354 0.000) 11.037 6.558 ( -2.700 -1.734 0.000) 3.209 6.630 ( -1.615 1.528 0.000) 2.223 6.693 ( 2.187 -4.386 0.000) 4.901 6.772 ( -1.087 4.942 0.000) 5.060 6.786 ( 4.811 6.140 0.000) 7.801 6.851 ( 5.964 4.413 0.000) 7.419 6.937 ( 3.567 -5.380 0.000) 6.455 7.268 ( -0.831 -0.820 0.000) 1.168 7.351 ( 12.304 5.439 0.000) 13.452 7.428 ( 9.106 0.701 0.000) 9.133 7.513 ( 2.194 4.135 0.000) 4.681 7.573 ( 4.365 -0.262 0.000) 4.373 7.708 ( 4.534 9.411 0.000) 10.447 7.847 ( -1.595 4.708 0.000) 4.971 7.908 ( 0.934 1.304 0.000) 1.604 7.988 ( 6.237 8.327 0.000) 10.403 8.071 ( 1.462 3.948 0.000) 4.210 8.151 ( 4.472 2.477 0.000) 5.112 8.662 ( -5.407 13.271 0.000) 14.330 8.734 ( 8.162 0.326 0.000) 8.168 8.970 ( 2.290 -9.727 0.000) 9.993 9.140 ( -3.269 11.056 0.000) 11.529 9.560 ( -3.325 1.324 0.000) 3.579 9.793 ( -3.757 25.665 0.000) 25.938 9.923 ( -4.105 17.002 0.000) 17.491 10.423 ( 2.336 21.051 0.000) 21.180 10.461 ( -6.523 -12.365 0.000) 13.980 10.717 ( -6.662 -4.134 0.000) 7.841 11.135 ( -5.318 -8.646 0.000) 10.150 11.829 ( -5.227 -16.401 0.000) 17.214 12.171 ( 4.567 -3.095 0.000) 5.517 12.292 ( -0.003 -6.636 0.000) 6.636 12.473 ( 1.625 -12.545 0.000) 12.650 12.513 ( 4.276 -7.269 0.000) 8.433 12.737 ( 2.458 -1.841 0.000) 3.071 12.842 ( 2.928 -6.472 0.000) 7.103 13.182 ( -1.706 2.247 0.000) 2.822 13.329 ( 0.720 6.927 0.000) 6.964 13.459 ( -1.502 -1.696 0.000) 2.265 13.493 ( -3.355 -5.671 0.000) 6.589 13.592 ( -3.552 8.395 0.000) 9.116 13.711 ( -2.883 -8.729 0.000) 9.193 13.952 ( 4.133 -6.189 0.000) 7.442 14.186 ( 0.706 -7.961 0.000) 7.992 14.314 ( -14.646 4.658 0.000) 15.369 14.435 ( -5.098 -2.501 0.000) 5.679 14.675 ( -7.090 13.622 0.000) 15.357 14.978 ( -7.286 12.529 0.000) 14.494 15.135 ( -0.654 4.976 0.000) 5.019 15.254 ( -3.883 0.752 0.000) 3.955 15.310 ( 4.983 4.037 0.000) 6.414 15.442 ( -14.814 8.202 0.000) 16.933 15.508 ( -0.928 5.625 0.000) 5.701 15.744 ( 3.505 1.918 0.000) 3.995 15.980 ( -13.796 -2.282 0.000) 13.984 16.173 ( -16.168 -8.635 0.000) 18.329 16.466 ( -24.875 -5.821 0.000) 25.547 16.628 ( -24.404 -4.441 0.000) 24.805 16.636 ( -7.218 4.323 0.000) 8.414 17.377 ( -10.470 -9.976 0.000) 14.462 17.420 ( -19.780 -7.158 0.000) 21.036 17.505 ( -10.671 3.516 0.000) 11.235 17.938 ( -11.467 -8.131 0.000) 14.058 18.193 ( -16.094 -3.111 0.000) 16.392 20.042 ( 5.191 -2.209 0.000) 5.641 20.261 ( 5.917 -3.856 0.000) 7.063 20.781 ( 6.373 1.857 0.000) 6.638 20.974 ( -2.144 -3.916 0.000) 4.464 21.405 ( 5.317 -4.765 0.000) 7.139 21.473 ( 0.106 -1.869 0.000) 1.872 22.171 ( 7.471 15.201 0.000) 16.938 22.226 ( 12.768 8.581 0.000) 15.384 22.628 ( 8.488 11.467 0.000) 14.266 22.797 ( -0.960 -8.429 0.000) 8.484 22.976 ( 1.422 -5.499 0.000) 5.680 23.485 ( -2.163 -9.623 0.000) 9.863 ======================= Grid point 36 (22/60) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 1.071 8.023 0.000) 8.094 2.032 ( 2.950 3.516 0.000) 4.590 2.188 ( -6.977 -4.487 0.000) 8.295 2.293 ( 3.771 8.415 0.000) 9.221 2.349 ( -6.908 4.742 0.000) 8.379 2.384 ( -4.726 -6.501 0.000) 8.038 2.422 ( 8.808 8.441 0.000) 12.200 2.546 ( -2.256 3.408 0.000) 4.087 2.712 ( -3.147 -1.475 0.000) 3.476 2.834 ( 1.548 6.845 0.000) 7.018 3.026 ( -7.796 2.077 0.000) 8.068 3.057 ( -0.216 1.101 0.000) 1.122 3.163 ( -1.386 -11.880 0.000) 11.961 3.239 ( -0.939 2.221 0.000) 2.411 3.278 ( 1.579 -3.121 0.000) 3.497 3.546 ( -0.900 3.536 0.000) 3.649 3.831 ( 1.514 -4.055 0.000) 4.328 3.897 ( -18.500 -16.013 0.000) 24.467 4.080 ( -13.894 -9.800 0.000) 17.002 4.278 ( -7.968 -13.828 0.000) 15.959 4.306 ( -14.629 -17.132 0.000) 22.528 4.390 ( 10.795 6.873 0.000) 12.797 4.550 ( 8.056 3.325 0.000) 8.715 4.736 ( -7.716 6.728 0.000) 10.237 5.025 ( 1.198 7.245 0.000) 7.343 5.028 ( 3.408 2.927 0.000) 4.492 5.222 ( 2.806 3.563 0.000) 4.535 5.317 ( -3.222 -1.544 0.000) 3.573 5.547 ( 7.991 10.358 0.000) 13.082 5.823 ( 0.196 6.141 0.000) 6.144 5.940 ( 1.357 6.251 0.000) 6.396 5.985 ( -0.257 -1.557 0.000) 1.578 6.465 ( -9.739 1.418 0.000) 9.841 6.511 ( -3.775 0.332 0.000) 3.790 6.717 ( -2.674 0.744 0.000) 2.776 6.719 ( 1.645 -3.105 0.000) 3.514 6.982 ( 9.875 10.610 0.000) 14.494 7.006 ( 2.195 0.418 0.000) 2.234 7.012 ( 7.049 6.723 0.000) 9.741 7.238 ( -1.719 7.154 0.000) 7.358 7.485 ( -0.368 6.904 0.000) 6.914 7.513 ( 1.892 4.696 0.000) 5.062 7.589 ( -2.061 4.235 0.000) 4.710 7.639 ( 6.745 1.664 0.000) 6.947 7.804 ( -2.305 1.666 0.000) 2.844 7.821 ( 8.068 9.996 0.000) 12.846 7.948 ( 3.424 5.260 0.000) 6.276 8.043 ( -4.985 -1.445 0.000) 5.190 8.208 ( 13.696 4.682 0.000) 14.474 8.281 ( 7.547 2.881 0.000) 8.078 8.559 ( -2.337 14.455 0.000) 14.642 8.844 ( 0.952 9.012 0.000) 9.063 9.124 ( 9.968 -2.871 0.000) 10.373 9.198 ( 9.664 2.787 0.000) 10.058 9.435 ( -8.646 1.840 0.000) 8.839 9.677 ( -6.778 16.555 0.000) 17.889 9.871 ( -0.577 12.250 0.000) 12.264 10.303 ( -7.633 -6.603 0.000) 10.093 10.365 ( -8.907 0.243 0.000) 8.910 10.658 ( 0.771 6.814 0.000) 6.858 11.024 ( -3.871 -0.448 0.000) 3.896 11.699 ( -7.193 -11.020 0.000) 13.159 12.308 ( 7.367 -1.627 0.000) 7.545 12.317 ( 2.044 -3.281 0.000) 3.865 12.475 ( -0.514 -9.572 0.000) 9.586 12.610 ( 5.122 -8.724 0.000) 10.116 12.788 ( 2.514 -1.052 0.000) 2.726 12.839 ( -2.387 0.829 0.000) 2.527 13.162 ( -2.204 5.010 0.000) 5.473 13.319 ( -2.554 3.936 0.000) 4.692 13.374 ( -6.927 -2.671 0.000) 7.424 13.407 ( -3.903 -7.588 0.000) 8.532 13.491 ( -3.987 0.183 0.000) 3.991 13.685 ( 0.184 -10.368 0.000) 10.369 13.970 ( -18.924 -12.560 0.000) 22.713 14.002 ( 1.060 -15.021 0.000) 15.058 14.142 ( -1.685 3.459 0.000) 3.848 14.434 ( 2.882 -1.050 0.000) 3.068 14.574 ( -3.949 5.367 0.000) 6.664 14.854 ( -2.958 5.002 0.000) 5.811 15.134 ( -0.105 9.254 0.000) 9.255 15.210 ( -0.966 1.106 0.000) 1.469 15.235 ( -1.215 2.943 0.000) 3.184 15.481 ( 6.135 0.990 0.000) 6.215 15.525 ( 1.595 7.985 0.000) 8.142 15.652 ( -13.256 -12.923 0.000) 18.513 15.767 ( -11.891 -8.306 0.000) 14.504 15.862 ( -11.735 -8.316 0.000) 14.383 16.037 ( -6.231 -1.520 0.000) 6.414 16.187 ( -16.141 0.684 0.000) 16.156 16.507 ( -7.674 12.184 0.000) 14.400 16.913 ( -24.252 -3.255 0.000) 24.469 17.092 ( -8.986 1.590 0.000) 9.126 17.452 ( -3.354 5.108 0.000) 6.111 17.651 ( -14.911 -6.326 0.000) 16.197 17.810 ( -19.981 -0.226 0.000) 19.982 20.131 ( 3.997 -5.901 0.000) 7.127 20.398 ( 6.107 -7.658 0.000) 9.795 20.919 ( -2.217 -5.520 0.000) 5.949 20.931 ( 7.862 -3.989 0.000) 8.816 21.433 ( -4.033 -1.371 0.000) 4.260 21.474 ( 0.956 -5.349 0.000) 5.434 22.294 ( 4.337 10.831 0.000) 11.667 22.446 ( 7.985 5.533 0.000) 9.715 22.703 ( -0.768 0.508 0.000) 0.921 22.768 ( -1.676 -4.680 0.000) 4.971 23.032 ( 3.803 2.991 0.000) 4.838 23.419 ( -4.213 -5.844 0.000) 7.205 ======================= Grid point 37 (23/60) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 12.191 -10.630 0.000) 16.174 2.041 ( -3.989 -1.725 0.000) 4.346 2.071 ( -0.811 -4.115 0.000) 4.195 2.147 ( -7.202 0.547 0.000) 7.223 2.317 ( -4.048 -0.158 0.000) 4.051 2.355 ( 2.696 7.132 0.000) 7.625 2.557 ( 1.184 -2.618 0.000) 2.874 2.593 ( 0.334 -2.940 0.000) 2.959 2.665 ( 4.971 9.248 0.000) 10.500 2.778 ( -8.046 -15.455 0.000) 17.424 2.874 ( -5.973 -2.577 0.000) 6.505 2.963 ( -1.703 7.387 0.000) 7.581 3.247 ( 0.038 -1.047 0.000) 1.048 3.286 ( 6.364 -5.026 0.000) 8.109 3.346 ( 3.189 -11.710 0.000) 12.137 3.372 ( -13.719 -3.009 0.000) 14.045 3.721 ( -5.619 -6.837 0.000) 8.850 3.744 ( 2.167 -15.693 0.000) 15.841 3.951 ( -2.322 -13.922 0.000) 14.115 4.057 ( -4.357 -11.723 0.000) 12.506 4.099 ( -11.090 -15.378 0.000) 18.959 4.392 ( -10.574 -3.418 0.000) 11.112 4.632 ( 5.276 -6.639 0.000) 8.480 4.845 ( 14.662 11.157 0.000) 18.424 5.033 ( -4.969 -3.544 0.000) 6.103 5.098 ( 4.507 8.212 0.000) 9.367 5.205 ( -4.201 1.138 0.000) 4.353 5.253 ( -1.845 2.055 0.000) 2.761 5.704 ( 5.894 8.727 0.000) 10.531 5.798 ( -1.274 5.492 0.000) 5.638 5.992 ( 3.372 5.772 0.000) 6.685 6.038 ( 3.234 3.355 0.000) 4.660 6.293 ( -5.791 -0.066 0.000) 5.791 6.369 ( -8.272 -0.414 0.000) 8.282 6.712 ( 2.558 3.051 0.000) 3.982 6.775 ( 3.644 0.668 0.000) 3.705 7.017 ( -2.799 3.742 0.000) 4.673 7.032 ( -5.852 7.867 0.000) 9.805 7.158 ( 6.335 7.227 0.000) 9.611 7.193 ( -0.368 8.207 0.000) 8.215 7.523 ( 2.873 7.036 0.000) 7.600 7.539 ( 4.915 7.016 0.000) 8.566 7.580 ( 0.853 5.682 0.000) 5.745 7.696 ( -0.655 4.125 0.000) 4.177 7.742 ( -3.589 6.039 0.000) 7.025 7.887 ( -8.357 2.456 0.000) 8.710 7.983 ( 6.377 12.246 0.000) 13.807 8.040 ( 4.009 8.494 0.000) 9.393 8.445 ( 6.929 6.351 0.000) 9.399 8.492 ( 7.172 11.249 0.000) 13.341 8.592 ( 9.747 2.098 0.000) 9.970 8.852 ( 2.397 10.999 0.000) 11.258 9.207 ( -12.673 -1.031 0.000) 12.714 9.220 ( -4.651 10.187 0.000) 11.198 9.451 ( 12.103 -1.883 0.000) 12.249 9.603 ( 2.181 -2.663 0.000) 3.442 9.902 ( 2.816 3.687 0.000) 4.639 10.141 ( -10.910 -0.135 0.000) 10.911 10.192 ( -1.239 -0.061 0.000) 1.240 10.572 ( -10.130 -4.105 0.000) 10.930 11.075 ( 8.789 8.896 0.000) 12.506 11.527 ( -9.459 -4.779 0.000) 10.598 12.350 ( 0.568 5.293 0.000) 5.323 12.369 ( -1.176 -0.134 0.000) 1.184 12.555 ( 7.746 1.463 0.000) 7.883 12.742 ( 8.066 -11.115 0.000) 13.733 12.784 ( -2.334 1.504 0.000) 2.777 12.842 ( 2.884 -5.388 0.000) 6.112 13.061 ( -6.106 2.882 0.000) 6.752 13.230 ( -5.198 -5.402 0.000) 7.497 13.265 ( -2.661 -4.282 0.000) 5.042 13.302 ( -7.313 -7.975 0.000) 10.820 13.459 ( -0.453 -7.287 0.000) 7.301 13.521 ( -16.222 -13.512 0.000) 21.112 13.750 ( 2.361 -11.640 0.000) 11.877 13.946 ( -5.962 -13.661 0.000) 14.905 14.229 ( 8.545 -1.893 0.000) 8.752 14.463 ( -0.788 3.461 0.000) 3.550 14.546 ( 2.372 -4.490 0.000) 5.078 14.866 ( 2.643 -10.087 0.000) 10.428 15.151 ( 1.927 4.997 0.000) 5.356 15.166 ( -10.325 -4.772 0.000) 11.374 15.255 ( -10.580 -12.952 0.000) 16.724 15.290 ( 3.785 6.378 0.000) 7.417 15.358 ( -12.903 -14.277 0.000) 19.244 15.503 ( -7.108 7.912 0.000) 10.636 15.687 ( 7.049 2.003 0.000) 7.328 15.920 ( 12.044 3.691 0.000) 12.597 15.956 ( -6.115 5.394 0.000) 8.154 16.071 ( 2.532 1.993 0.000) 3.222 16.338 ( -6.272 4.766 0.000) 7.878 16.462 ( -18.251 -1.458 0.000) 18.309 17.053 ( 3.124 10.442 0.000) 10.899 17.281 ( -11.690 6.100 0.000) 13.186 17.405 ( -8.374 3.202 0.000) 8.965 17.409 ( -16.647 3.968 0.000) 17.113 20.229 ( 5.569 -10.948 0.000) 12.283 20.453 ( -1.711 -13.540 0.000) 13.647 20.939 ( 5.078 -2.847 0.000) 5.821 21.097 ( 7.510 -5.934 0.000) 9.571 21.314 ( -6.634 -2.755 0.000) 7.184 21.438 ( -4.357 -6.980 0.000) 8.228 22.371 ( 3.692 6.695 0.000) 7.645 22.537 ( -0.335 6.090 0.000) 6.099 22.665 ( -0.498 -4.299 0.000) 4.328 22.732 ( -1.704 -1.838 0.000) 2.506 23.116 ( 4.116 4.234 0.000) 5.905 23.317 ( -5.314 -2.257 0.000) 5.773 ======================= Grid point 38 (24/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -3.514 -5.879 0.000) 6.849 1.962 ( 3.514 -5.879 0.000) 6.849 2.091 ( -0.868 -5.539 0.000) 5.607 2.091 ( 0.868 -5.539 0.000) 5.607 2.335 ( -7.878 -7.393 0.000) 10.804 2.335 ( 7.878 -7.393 0.000) 10.804 2.506 ( -2.746 -1.964 0.000) 3.376 2.506 ( 2.746 -1.964 0.000) 3.376 2.742 ( -3.164 -4.960 0.000) 5.883 2.742 ( 3.164 -4.960 0.000) 5.883 2.888 ( -7.966 9.292 0.000) 12.239 2.888 ( 7.966 9.292 0.000) 12.239 3.211 ( -1.196 -0.417 0.000) 1.267 3.211 ( 1.196 -0.417 0.000) 1.267 3.367 ( -0.369 -13.567 0.000) 13.572 3.367 ( 0.369 -13.567 0.000) 13.572 3.760 ( -3.782 -16.204 0.000) 16.640 3.760 ( 3.782 -16.204 0.000) 16.640 3.910 ( -2.290 -13.966 0.000) 14.152 3.910 ( 2.290 -13.966 0.000) 14.152 4.146 ( -10.397 -2.545 0.000) 10.704 4.146 ( 10.397 -2.545 0.000) 10.704 4.833 ( -11.606 -11.419 0.000) 16.281 4.833 ( 11.606 -11.419 0.000) 16.281 5.098 ( -8.619 7.699 0.000) 11.557 5.098 ( 8.619 7.699 0.000) 11.557 5.184 ( -3.724 5.640 0.000) 6.759 5.184 ( 3.724 5.640 0.000) 6.759 5.776 ( -1.461 7.003 0.000) 7.153 5.776 ( 1.461 7.003 0.000) 7.153 6.058 ( -1.888 4.688 0.000) 5.054 6.058 ( 1.888 4.688 0.000) 5.054 6.249 ( -1.930 -1.642 0.000) 2.534 6.249 ( 1.930 -1.642 0.000) 2.534 6.810 ( -4.627 5.972 0.000) 7.555 6.810 ( 4.627 5.972 0.000) 7.555 6.923 ( -2.252 3.878 0.000) 4.485 6.923 ( 2.252 3.878 0.000) 4.485 7.219 ( -0.486 4.704 0.000) 4.729 7.219 ( 0.486 4.704 0.000) 4.729 7.591 ( -1.904 8.558 0.000) 8.767 7.591 ( 1.904 8.558 0.000) 8.767 7.644 ( -4.620 7.323 0.000) 8.659 7.644 ( 4.620 7.323 0.000) 8.659 7.730 ( -5.589 5.882 0.000) 8.114 7.730 ( 5.589 5.882 0.000) 8.114 8.069 ( -1.529 12.101 0.000) 12.198 8.069 ( 1.529 12.101 0.000) 12.198 8.520 ( -0.803 12.867 0.000) 12.892 8.520 ( 0.803 12.867 0.000) 12.892 8.892 ( -12.957 -4.066 0.000) 13.580 8.892 ( 12.957 -4.066 0.000) 13.580 9.024 ( -8.717 10.842 0.000) 13.912 9.024 ( 8.717 10.842 0.000) 13.912 9.634 ( -3.541 -7.827 0.000) 8.591 9.634 ( 3.541 -7.827 0.000) 8.591 9.962 ( -5.073 4.490 0.000) 6.774 9.962 ( 5.073 4.490 0.000) 6.774 10.319 ( -11.867 -3.410 0.000) 12.347 10.319 ( 11.867 -3.410 0.000) 12.347 11.304 ( -11.669 3.109 0.000) 12.076 11.304 ( 11.669 3.109 0.000) 12.076 12.349 ( -0.128 6.443 0.000) 6.444 12.349 ( 0.128 6.443 0.000) 6.444 12.699 ( -5.466 7.988 0.000) 9.679 12.699 ( 5.466 7.988 0.000) 9.679 12.919 ( -2.414 -13.581 0.000) 13.794 12.919 ( 2.414 -13.581 0.000) 13.794 13.016 ( -12.303 -12.459 0.000) 17.510 13.016 ( 12.303 -12.459 0.000) 17.510 13.206 ( -2.883 -3.692 0.000) 4.685 13.206 ( 2.884 -3.692 0.000) 4.685 13.426 ( -2.316 -8.338 0.000) 8.653 13.426 ( 2.316 -8.338 0.000) 8.653 13.825 ( -4.718 -12.702 0.000) 13.550 13.825 ( 4.718 -12.702 0.000) 13.550 14.397 ( -5.759 4.189 0.000) 7.122 14.397 ( 5.759 4.189 0.000) 7.122 14.714 ( -13.806 -19.956 0.000) 24.267 14.714 ( 13.806 -19.956 0.000) 24.267 15.097 ( -8.758 -8.833 0.000) 12.439 15.097 ( 8.758 -8.833 0.000) 12.439 15.201 ( -1.694 0.457 0.000) 1.755 15.201 ( 1.694 0.457 0.000) 1.754 15.389 ( -4.464 6.826 0.000) 8.156 15.389 ( 4.464 6.826 0.000) 8.156 15.836 ( -5.733 7.406 0.000) 9.366 15.836 ( 5.733 7.406 0.000) 9.366 16.120 ( -1.498 -0.243 0.000) 1.518 16.120 ( 1.498 -0.243 0.000) 1.518 16.240 ( -2.537 1.203 0.000) 2.807 16.240 ( 2.537 1.203 0.000) 2.807 17.119 ( -2.621 6.507 0.000) 7.015 17.119 ( 2.621 6.507 0.000) 7.015 17.258 ( -3.942 10.563 0.000) 11.275 17.258 ( 3.942 10.563 0.000) 11.275 20.357 ( -6.272 -14.347 0.000) 15.658 20.357 ( 6.272 -14.347 0.000) 15.658 21.095 ( -8.003 -1.602 0.000) 8.162 21.095 ( 8.003 -1.602 0.000) 8.162 21.311 ( -6.768 -8.137 0.000) 10.583 21.311 ( 6.768 -8.137 0.000) 10.583 22.461 ( -4.877 4.482 0.000) 6.624 22.461 ( 4.877 4.482 0.000) 6.624 22.694 ( -1.980 -1.648 0.000) 2.576 22.694 ( 1.980 -1.648 0.000) 2.576 23.209 ( -4.885 1.332 0.000) 5.063 23.209 ( 4.885 1.332 0.000) 5.063 ======================= Grid point 44 (25/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 16.550 0.000) 16.550 2.212 ( 0.000 10.192 0.000) 10.192 2.245 ( 0.000 8.276 0.000) 8.276 2.250 ( 0.000 11.698 0.000) 11.698 2.402 ( 0.000 -7.724 0.000) 7.724 2.475 ( 0.000 -5.325 0.000) 5.325 2.599 ( 0.000 -6.148 0.000) 6.148 2.639 ( 0.000 -7.192 0.000) 7.192 2.753 ( 0.000 10.617 0.000) 10.617 2.811 ( 0.000 -2.001 0.000) 2.001 2.906 ( 0.000 -6.187 0.000) 6.187 2.931 ( 0.000 -7.142 0.000) 7.142 3.810 ( 0.000 27.290 0.000) 27.290 3.818 ( 0.000 12.818 0.000) 12.818 3.960 ( 0.000 9.962 0.000) 9.962 3.980 ( 0.000 -2.924 0.000) 2.924 4.146 ( 0.000 11.798 0.000) 11.798 4.208 ( 0.000 8.208 0.000) 8.208 4.382 ( 0.000 24.102 0.000) 24.102 4.506 ( 0.000 10.632 0.000) 10.632 4.586 ( 0.000 -11.385 0.000) 11.385 4.651 ( 0.000 -22.846 0.000) 22.846 4.684 ( 0.000 -8.142 0.000) 8.142 4.742 ( 0.000 11.251 0.000) 11.251 4.836 ( 0.000 3.094 0.000) 3.094 4.888 ( 0.000 -24.685 0.000) 24.685 5.407 ( 0.000 20.338 0.000) 20.338 5.418 ( 0.000 12.002 0.000) 12.002 5.695 ( 0.000 -14.384 0.000) 14.384 5.778 ( 0.000 -18.072 0.000) 18.072 5.894 ( 0.000 10.687 0.000) 10.687 6.033 ( 0.000 -2.968 0.000) 2.968 6.443 ( 0.000 16.224 0.000) 16.224 6.593 ( 0.000 3.224 0.000) 3.224 6.626 ( 0.000 1.031 0.000) 1.031 6.719 ( 0.000 -2.352 0.000) 2.352 6.729 ( 0.000 -12.729 0.000) 12.729 6.744 ( 0.000 -4.013 0.000) 4.013 6.844 ( 0.000 2.536 0.000) 2.536 6.951 ( 0.000 -9.094 0.000) 9.094 7.288 ( 0.000 4.792 0.000) 4.792 7.326 ( 0.000 0.272 0.000) 0.272 7.364 ( 0.000 -1.181 0.000) 1.181 7.382 ( 0.000 -3.530 0.000) 3.530 7.550 ( 0.000 11.581 0.000) 11.581 7.722 ( 0.000 -5.569 0.000) 5.569 8.005 ( 0.000 6.473 0.000) 6.473 8.070 ( 0.000 -0.593 0.000) 0.593 8.160 ( 0.000 10.337 0.000) 10.337 8.351 ( 0.000 -9.820 0.000) 9.820 8.404 ( 0.000 16.355 0.000) 16.355 8.763 ( 0.000 -19.121 0.000) 19.121 9.039 ( 0.000 15.600 0.000) 15.600 9.322 ( 0.000 -13.650 0.000) 13.650 9.790 ( 0.000 23.004 0.000) 23.004 10.201 ( 0.000 -19.697 0.000) 19.697 10.318 ( 0.000 19.424 0.000) 19.424 10.505 ( 0.000 24.276 0.000) 24.276 10.644 ( 0.000 -14.877 0.000) 14.877 10.936 ( 0.000 -19.762 0.000) 19.762 10.979 ( 0.000 30.954 0.000) 30.954 11.512 ( 0.000 -24.421 0.000) 24.421 12.087 ( 0.000 -0.599 0.000) 0.599 12.164 ( 0.000 -8.222 0.000) 8.222 12.266 ( 0.000 0.050 0.000) 0.050 12.310 ( 0.000 -2.953 0.000) 2.953 12.513 ( 0.000 -3.012 0.000) 3.012 12.559 ( 0.000 -5.416 0.000) 5.416 13.370 ( 0.000 2.160 0.000) 2.160 13.378 ( 0.000 1.336 0.000) 1.336 13.553 ( 0.000 1.245 0.000) 1.245 13.577 ( 0.000 -1.109 0.000) 1.109 13.668 ( 0.000 7.418 0.000) 7.418 13.746 ( 0.000 0.916 0.000) 0.916 13.793 ( 0.000 -5.922 0.000) 5.922 13.804 ( 0.000 -5.102 0.000) 5.102 14.518 ( 0.000 -0.140 0.000) 0.140 14.533 ( 0.000 -1.578 0.000) 1.578 15.145 ( 0.000 1.847 0.000) 1.847 15.169 ( 0.000 -0.935 0.000) 0.935 15.251 ( 0.000 5.281 0.000) 5.281 15.367 ( 0.000 -6.224 0.000) 6.224 15.663 ( 0.000 5.570 0.000) 5.570 15.699 ( 0.000 4.421 0.000) 4.421 16.017 ( 0.000 17.542 0.000) 17.542 16.195 ( 0.000 20.545 0.000) 20.545 16.360 ( 0.000 -17.954 0.000) 17.954 16.631 ( 0.000 20.059 0.000) 20.059 16.655 ( 0.000 -24.487 0.000) 24.487 17.032 ( 0.000 -20.998 0.000) 20.998 17.323 ( 0.000 20.986 0.000) 20.986 17.437 ( 0.000 11.480 0.000) 11.480 17.686 ( 0.000 -14.403 0.000) 14.403 17.746 ( 0.000 -22.533 0.000) 22.533 18.198 ( 0.000 12.619 0.000) 12.619 18.418 ( 0.000 -9.903 0.000) 9.903 19.910 ( 0.000 7.670 0.000) 7.670 20.054 ( 0.000 -6.621 0.000) 6.621 20.834 ( 0.000 11.144 0.000) 11.144 21.039 ( 0.000 -10.074 0.000) 10.074 21.099 ( 0.000 8.013 0.000) 8.013 21.266 ( 0.000 -8.630 0.000) 8.630 22.198 ( 0.000 17.963 0.000) 17.963 22.316 ( 0.000 20.229 0.000) 20.229 22.526 ( 0.000 -15.973 0.000) 15.973 22.677 ( 0.000 -16.807 0.000) 16.807 22.732 ( 0.000 25.003 0.000) 25.003 23.178 ( 0.000 -20.759 0.000) 20.759 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -2.323 8.303 0.000) 8.622 2.187 ( -0.179 13.889 0.000) 13.891 2.272 ( 2.004 11.252 0.000) 11.429 2.325 ( 5.247 7.032 0.000) 8.774 2.346 ( -4.485 -4.776 0.000) 6.552 2.454 ( -3.150 1.131 0.000) 3.347 2.568 ( -3.613 -7.439 0.000) 8.270 2.621 ( 2.040 -6.821 0.000) 7.120 2.753 ( -5.396 -0.027 0.000) 5.396 2.821 ( 5.705 10.671 0.000) 12.101 2.879 ( -2.603 -8.551 0.000) 8.939 3.017 ( 6.327 -9.039 0.000) 11.034 3.594 ( -10.798 19.591 0.000) 22.369 3.780 ( -14.244 11.073 0.000) 18.042 3.878 ( -5.996 6.860 0.000) 9.111 3.892 ( -8.223 -2.429 0.000) 8.575 4.084 ( -6.948 17.099 0.000) 18.457 4.216 ( -1.036 0.477 0.000) 1.141 4.259 ( -3.554 18.644 0.000) 18.980 4.446 ( -12.606 -9.791 0.000) 15.962 4.465 ( -5.029 1.746 0.000) 5.324 4.581 ( -0.747 -1.101 0.000) 1.330 4.649 ( -11.911 -15.927 0.000) 19.888 4.828 ( 5.075 -14.873 0.000) 15.715 4.852 ( 7.018 11.097 0.000) 13.130 4.984 ( 5.260 -4.447 0.000) 6.888 5.400 ( 0.447 21.104 0.000) 21.109 5.426 ( 0.188 9.280 0.000) 9.282 5.609 ( -7.101 -7.629 0.000) 10.423 5.772 ( -0.155 -16.484 0.000) 16.485 5.925 ( 2.885 8.767 0.000) 9.229 6.040 ( 0.240 -1.821 0.000) 1.837 6.535 ( 8.310 7.838 0.000) 11.423 6.595 ( -0.542 1.322 0.000) 1.429 6.599 ( -4.425 -3.518 0.000) 5.653 6.717 ( 3.529 -4.213 0.000) 5.496 6.772 ( 5.497 0.476 0.000) 5.517 6.814 ( 3.321 -3.712 0.000) 4.980 6.896 ( 2.281 4.378 0.000) 4.937 7.018 ( 5.981 -9.129 0.000) 10.914 7.291 ( 4.001 6.616 0.000) 7.731 7.342 ( 2.576 1.191 0.000) 2.838 7.415 ( 3.701 -2.826 0.000) 4.656 7.426 ( 5.603 -3.367 0.000) 6.537 7.705 ( 10.705 8.838 0.000) 13.882 7.829 ( 7.685 -3.259 0.000) 8.347 8.010 ( 0.557 6.487 0.000) 6.511 8.055 ( -0.170 2.081 0.000) 2.088 8.165 ( -0.597 5.638 0.000) 5.670 8.213 ( -7.123 2.282 0.000) 7.480 8.538 ( 7.687 2.918 0.000) 8.222 8.742 ( -1.166 -15.177 0.000) 15.222 9.003 ( -3.009 14.229 0.000) 14.544 9.252 ( -5.642 -10.948 0.000) 12.316 9.802 ( 0.252 20.115 0.000) 20.116 10.154 ( -4.501 -10.861 0.000) 11.757 10.333 ( 1.016 10.739 0.000) 10.787 10.456 ( -4.444 23.237 0.000) 23.658 10.608 ( -3.631 -13.291 0.000) 13.778 10.816 ( -6.571 -4.691 0.000) 8.074 11.073 ( 4.336 14.152 0.000) 14.801 11.508 ( -0.354 -22.572 0.000) 22.575 12.090 ( 0.949 0.528 0.000) 1.086 12.162 ( 0.010 -6.808 0.000) 6.808 12.294 ( 2.087 -1.044 0.000) 2.334 12.339 ( 2.404 -3.807 0.000) 4.502 12.572 ( 5.446 -3.924 0.000) 6.712 12.597 ( 3.530 -4.561 0.000) 5.768 13.313 ( -4.177 3.147 0.000) 5.230 13.363 ( -1.301 -1.395 0.000) 1.908 13.553 ( -0.442 4.027 0.000) 4.051 13.567 ( -5.287 4.005 0.000) 6.632 13.628 ( 3.232 -1.922 0.000) 3.760 13.663 ( -5.348 -5.769 0.000) 7.866 13.852 ( 5.623 3.831 0.000) 6.804 13.953 ( 6.912 -5.971 0.000) 9.134 14.490 ( -3.219 -0.419 0.000) 3.246 14.501 ( -3.399 -1.444 0.000) 3.693 15.152 ( 0.688 1.613 0.000) 1.754 15.158 ( -0.739 0.732 0.000) 1.040 15.296 ( 3.663 4.852 0.000) 6.079 15.387 ( 0.965 -3.677 0.000) 3.802 15.514 ( -17.045 14.843 0.000) 22.602 15.592 ( -5.658 3.099 0.000) 6.451 15.943 ( -7.363 14.302 0.000) 16.086 15.954 ( -17.714 12.925 0.000) 21.928 16.258 ( -11.152 -14.643 0.000) 18.406 16.321 ( -23.263 -11.737 0.000) 26.056 16.638 ( -6.155 3.941 0.000) 7.308 16.916 ( -13.403 -16.691 0.000) 21.407 17.140 ( -13.662 16.093 0.000) 21.110 17.278 ( -7.461 1.042 0.000) 7.533 17.595 ( -9.519 -7.187 0.000) 11.928 17.687 ( -9.055 -15.980 0.000) 18.368 18.123 ( -6.415 10.743 0.000) 12.513 18.324 ( -8.401 -9.280 0.000) 12.517 19.974 ( 5.052 5.986 0.000) 7.833 20.092 ( 3.339 -5.530 0.000) 6.459 20.838 ( -0.139 8.558 0.000) 8.559 20.975 ( -3.560 -4.441 0.000) 5.692 21.217 ( 7.629 1.769 0.000) 7.831 21.320 ( 4.585 -7.025 0.000) 8.389 22.261 ( 5.507 15.381 0.000) 16.337 22.364 ( 3.895 17.259 0.000) 17.693 22.561 ( 3.036 -13.123 0.000) 13.469 22.690 ( 1.269 -10.845 0.000) 10.919 22.828 ( 7.951 17.633 0.000) 19.342 23.209 ( 2.613 -18.398 0.000) 18.582 ======================= Grid point 46 (27/60) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -7.065 11.297 0.000) 13.324 2.169 ( -1.711 8.779 0.000) 8.944 2.234 ( -5.978 -3.868 0.000) 7.120 2.319 ( -5.058 -3.543 0.000) 6.175 2.336 ( 3.853 9.802 0.000) 10.532 2.455 ( 3.388 12.779 0.000) 13.221 2.561 ( 2.257 -3.881 0.000) 4.490 2.606 ( -6.948 -2.369 0.000) 7.341 2.655 ( -1.054 -1.462 0.000) 1.802 2.817 ( -1.377 -17.314 0.000) 17.368 2.957 ( 6.425 10.115 0.000) 11.983 3.143 ( 4.773 -8.232 0.000) 9.516 3.378 ( -10.092 12.687 0.000) 16.212 3.434 ( -17.662 11.608 0.000) 21.135 3.634 ( -15.065 6.370 0.000) 16.357 3.696 ( -9.302 -5.236 0.000) 10.674 3.885 ( -7.983 13.527 0.000) 15.707 4.096 ( -11.140 -2.486 0.000) 11.413 4.174 ( -9.797 -5.277 0.000) 11.128 4.219 ( -7.955 -5.817 0.000) 9.855 4.305 ( -19.494 -17.421 0.000) 26.144 4.321 ( -8.068 -8.121 0.000) 11.447 4.631 ( 7.407 18.433 0.000) 19.865 4.931 ( 4.572 -9.348 0.000) 10.406 4.972 ( 4.080 9.953 0.000) 10.757 5.102 ( 5.732 -4.113 0.000) 7.055 5.321 ( -9.862 11.521 0.000) 15.165 5.392 ( -4.229 2.300 0.000) 4.814 5.573 ( 5.719 6.796 0.000) 8.882 5.780 ( 1.053 -12.436 0.000) 12.481 5.994 ( 3.159 6.395 0.000) 7.132 6.039 ( 0.050 2.212 0.000) 2.213 6.520 ( -1.490 -0.891 0.000) 1.736 6.566 ( -0.581 -5.281 0.000) 5.313 6.719 ( -0.571 4.871 0.000) 4.904 6.792 ( -3.318 -1.953 0.000) 3.850 6.849 ( 8.771 1.493 0.000) 8.897 6.877 ( 8.525 -1.734 0.000) 8.699 7.000 ( 8.223 9.211 0.000) 12.348 7.167 ( 6.767 -7.872 0.000) 10.381 7.454 ( 8.076 2.497 0.000) 8.453 7.471 ( 8.993 6.085 0.000) 10.859 7.517 ( 7.363 -3.582 0.000) 8.188 7.562 ( 6.405 -1.956 0.000) 6.697 7.890 ( 5.668 7.112 0.000) 9.095 7.927 ( -1.008 4.127 0.000) 4.248 7.986 ( -2.020 5.032 0.000) 5.422 8.084 ( -2.725 -1.930 0.000) 3.339 8.122 ( 2.421 3.739 0.000) 4.454 8.169 ( 4.318 -0.815 0.000) 4.394 8.725 ( 10.363 -0.441 0.000) 10.372 8.755 ( 2.556 -3.535 0.000) 4.362 8.961 ( 0.783 9.612 0.000) 9.644 9.141 ( -3.698 -7.477 0.000) 8.341 9.760 ( -5.025 15.604 0.000) 16.393 10.013 ( -9.169 -5.352 0.000) 10.617 10.290 ( -7.149 8.725 0.000) 11.280 10.381 ( -0.705 17.890 0.000) 17.904 10.484 ( -8.195 -9.276 0.000) 12.378 10.700 ( -4.388 -9.193 0.000) 10.186 11.143 ( 2.534 14.792 0.000) 15.008 11.495 ( -1.022 -18.494 0.000) 18.522 12.140 ( 3.769 -0.499 0.000) 3.802 12.173 ( 1.326 -4.495 0.000) 4.687 12.340 ( 2.433 -0.509 0.000) 2.486 12.401 ( 3.494 -4.826 0.000) 5.958 12.693 ( 5.346 -1.719 0.000) 5.616 12.717 ( 7.588 -4.840 0.000) 9.000 13.233 ( -2.876 3.671 0.000) 4.664 13.327 ( -2.217 -5.581 0.000) 6.005 13.470 ( -4.247 2.906 0.000) 5.147 13.529 ( -1.581 6.839 0.000) 7.019 13.566 ( -4.632 -5.118 0.000) 6.903 13.667 ( -0.401 -3.327 0.000) 3.351 13.912 ( -1.925 4.026 0.000) 4.463 14.038 ( -1.518 -7.440 0.000) 7.593 14.351 ( -9.678 1.124 0.000) 9.743 14.385 ( -6.400 -2.407 0.000) 6.838 15.040 ( -13.542 18.619 0.000) 23.023 15.167 ( 0.206 3.057 0.000) 3.064 15.238 ( -0.658 6.911 0.000) 6.942 15.304 ( -9.765 4.971 0.000) 10.957 15.387 ( 2.925 3.220 0.000) 4.350 15.514 ( -2.167 -6.809 0.000) 7.145 15.596 ( -15.495 7.737 0.000) 17.319 15.777 ( -6.735 -0.902 0.000) 6.795 15.798 ( -21.851 -10.487 0.000) 24.237 15.946 ( -15.883 -12.702 0.000) 20.337 16.350 ( -19.506 3.475 0.000) 19.813 16.497 ( -21.913 -8.929 0.000) 23.662 16.964 ( -3.376 20.302 0.000) 20.580 17.251 ( -1.691 -4.053 0.000) 4.392 17.306 ( -15.657 -4.022 0.000) 16.165 17.369 ( -15.656 -14.804 0.000) 21.547 17.940 ( -11.402 7.029 0.000) 13.394 18.091 ( -13.747 -7.198 0.000) 15.517 20.073 ( 3.617 4.491 0.000) 5.766 20.175 ( 4.182 -5.274 0.000) 6.731 20.831 ( 0.148 3.190 0.000) 3.194 20.899 ( -3.538 -3.793 0.000) 5.187 21.357 ( 4.911 0.245 0.000) 4.917 21.406 ( 2.484 -4.023 0.000) 4.728 22.396 ( 6.708 8.928 0.000) 11.168 22.440 ( 2.729 10.614 0.000) 10.959 22.634 ( 3.447 -6.644 0.000) 7.485 22.709 ( 0.085 -6.712 0.000) 6.712 23.007 ( 8.015 11.723 0.000) 14.201 23.265 ( 2.191 -13.107 0.000) 13.289 ======================= Grid point 47 (28/60) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -10.615 15.409 0.000) 18.712 2.092 ( -7.601 -6.175 0.000) 9.794 2.119 ( -3.000 4.994 0.000) 5.826 2.235 ( -5.104 -7.019 0.000) 8.678 2.389 ( -4.731 3.703 0.000) 6.008 2.430 ( 4.628 6.877 0.000) 8.289 2.533 ( -7.968 -6.947 0.000) 10.571 2.577 ( 1.112 -5.005 0.000) 5.127 2.667 ( 6.827 6.729 0.000) 9.586 2.850 ( -0.631 -12.401 0.000) 12.417 2.971 ( -6.599 7.795 0.000) 10.213 3.088 ( -13.802 -0.248 0.000) 13.804 3.192 ( -0.673 7.574 0.000) 7.604 3.231 ( -0.859 0.222 0.000) 0.887 3.362 ( -8.807 8.573 0.000) 12.290 3.536 ( -6.007 -10.300 0.000) 11.924 3.796 ( -2.475 -1.236 0.000) 2.766 3.802 ( -18.262 6.187 0.000) 19.281 3.893 ( -14.232 -2.821 0.000) 14.509 3.964 ( -7.701 -11.215 0.000) 13.605 4.050 ( -9.430 -9.642 0.000) 13.487 4.176 ( -4.477 -15.938 0.000) 16.555 4.833 ( 10.220 14.578 0.000) 17.804 4.931 ( -10.000 12.284 0.000) 15.840 5.015 ( 2.320 -4.763 0.000) 5.298 5.171 ( -2.463 -10.367 0.000) 10.656 5.187 ( 0.575 7.439 0.000) 7.461 5.275 ( -2.230 -1.734 0.000) 2.824 5.722 ( 7.133 7.322 0.000) 10.222 5.824 ( 2.869 -3.531 0.000) 4.549 6.048 ( 2.260 4.143 0.000) 4.719 6.052 ( 1.263 3.859 0.000) 4.061 6.491 ( -8.460 1.012 0.000) 8.520 6.505 ( -3.370 -0.650 0.000) 3.432 6.673 ( 2.304 -0.831 0.000) 2.449 6.694 ( -2.344 -2.184 0.000) 3.204 7.045 ( 6.098 2.834 0.000) 6.724 7.078 ( 8.149 0.277 0.000) 8.153 7.182 ( 8.929 9.334 0.000) 12.917 7.301 ( 5.577 -1.829 0.000) 5.870 7.583 ( 3.943 2.511 0.000) 4.674 7.609 ( -2.370 4.367 0.000) 4.969 7.625 ( 6.081 -1.195 0.000) 6.197 7.645 ( -0.870 1.316 0.000) 1.577 7.866 ( 0.062 4.787 0.000) 4.788 7.974 ( -3.932 -5.152 0.000) 6.481 7.978 ( 6.466 5.361 0.000) 8.400 8.020 ( 4.263 1.297 0.000) 4.456 8.284 ( 10.433 2.818 0.000) 10.807 8.310 ( 8.587 0.111 0.000) 8.588 8.792 ( 0.323 9.279 0.000) 9.285 8.905 ( 4.255 -2.101 0.000) 4.746 9.100 ( 11.605 1.341 0.000) 11.682 9.166 ( 7.613 -4.325 0.000) 8.756 9.580 ( -11.916 11.011 0.000) 16.225 9.767 ( -14.228 -5.747 0.000) 15.345 10.123 ( -7.416 10.112 0.000) 12.540 10.290 ( -9.754 -6.891 0.000) 11.943 10.358 ( -2.244 12.933 0.000) 13.126 10.608 ( -5.330 -10.327 0.000) 11.621 11.192 ( 2.612 14.273 0.000) 14.510 11.465 ( -1.825 -13.360 0.000) 13.484 12.235 ( 5.094 -3.208 0.000) 6.020 12.237 ( 5.314 -3.433 0.000) 6.327 12.411 ( 4.651 1.591 0.000) 4.916 12.478 ( 3.611 -4.960 0.000) 6.135 12.802 ( 4.646 1.948 0.000) 5.038 12.842 ( 3.552 -1.335 0.000) 3.795 13.216 ( 1.395 0.590 0.000) 1.515 13.271 ( -2.871 -5.622 0.000) 6.313 13.360 ( -7.768 3.502 0.000) 8.521 13.414 ( -8.878 3.284 0.000) 9.466 13.532 ( 0.508 -2.922 0.000) 2.966 13.559 ( -11.754 3.560 0.000) 12.282 13.742 ( -8.494 -9.677 0.000) 12.876 13.768 ( -21.334 -8.234 0.000) 22.868 14.233 ( -0.878 5.886 0.000) 5.951 14.355 ( 2.646 -6.141 0.000) 6.686 14.794 ( -11.144 16.768 0.000) 20.133 15.034 ( -12.611 10.800 0.000) 16.604 15.165 ( -4.658 -11.122 0.000) 12.058 15.268 ( -4.822 1.229 0.000) 4.976 15.287 ( -2.660 -2.467 0.000) 3.628 15.314 ( -14.886 -8.765 0.000) 17.275 15.402 ( -7.075 -0.478 0.000) 7.091 15.534 ( -0.228 -6.599 0.000) 6.603 15.776 ( 0.752 3.195 0.000) 3.282 15.785 ( 3.816 0.396 0.000) 3.836 16.038 ( -6.109 2.800 0.000) 6.720 16.137 ( -11.707 -5.465 0.000) 12.920 16.755 ( -17.137 10.176 0.000) 19.931 16.863 ( -22.280 -2.612 0.000) 22.433 17.166 ( 2.347 7.461 0.000) 7.821 17.373 ( 2.889 -11.688 0.000) 12.040 17.663 ( -14.124 6.063 0.000) 15.370 17.768 ( -16.519 -4.105 0.000) 17.021 20.113 ( 0.436 3.695 0.000) 3.721 20.240 ( 1.255 -8.351 0.000) 8.444 20.854 ( 0.164 -1.024 0.000) 1.037 20.870 ( 3.894 -2.242 0.000) 4.493 21.400 ( -3.066 -1.380 0.000) 3.362 21.401 ( -0.799 -1.893 0.000) 2.054 22.472 ( 0.630 6.887 0.000) 6.916 22.517 ( 4.684 1.835 0.000) 5.031 22.684 ( -2.408 -2.146 0.000) 3.225 22.687 ( 1.387 -3.085 0.000) 3.382 23.135 ( 4.209 7.303 0.000) 8.429 23.286 ( -0.235 -7.758 0.000) 7.762 ======================= Grid point 48 (29/60) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -2.402 6.037 0.000) 6.497 1.926 ( -7.967 -10.386 0.000) 13.090 2.056 ( -2.362 1.402 0.000) 2.747 2.105 ( -5.522 -3.351 0.000) 6.459 2.320 ( -3.664 -0.290 0.000) 3.675 2.360 ( -7.006 -6.011 0.000) 9.231 2.538 ( 3.093 3.482 0.000) 4.657 2.575 ( -1.509 -0.517 0.000) 1.595 2.649 ( -8.394 2.939 0.000) 8.894 2.758 ( -5.513 -4.055 0.000) 6.844 2.870 ( 3.448 6.815 0.000) 7.638 3.010 ( 4.793 -4.697 0.000) 6.711 3.207 ( -1.991 -2.130 0.000) 2.916 3.213 ( 0.388 -0.551 0.000) 0.674 3.260 ( -1.696 3.905 0.000) 4.258 3.379 ( -12.555 -2.367 0.000) 12.776 3.493 ( -5.902 -5.829 0.000) 8.295 3.603 ( -10.194 -8.577 0.000) 13.322 3.744 ( -4.885 -2.628 0.000) 5.547 3.841 ( -9.536 -10.322 0.000) 14.053 3.976 ( 6.845 4.935 0.000) 8.438 4.187 ( 4.155 -14.317 0.000) 14.907 4.668 ( -10.980 8.848 0.000) 14.102 4.874 ( -12.903 -11.111 0.000) 17.027 5.055 ( 9.608 8.992 0.000) 13.159 5.176 ( 3.729 -3.683 0.000) 5.241 5.240 ( 2.533 5.463 0.000) 6.022 5.291 ( 0.187 0.174 0.000) 0.255 5.839 ( 3.760 4.810 0.000) 6.105 5.873 ( 1.356 1.449 0.000) 1.984 6.089 ( 2.232 3.143 0.000) 3.855 6.098 ( 2.464 1.977 0.000) 3.159 6.309 ( -7.264 1.668 0.000) 7.453 6.347 ( -8.609 -1.854 0.000) 8.807 6.755 ( 6.114 1.596 0.000) 6.318 6.776 ( 6.493 -0.539 0.000) 6.515 7.089 ( -3.244 3.274 0.000) 4.609 7.117 ( -5.619 0.976 0.000) 5.703 7.280 ( 0.732 4.611 0.000) 4.669 7.304 ( -2.704 2.454 0.000) 3.652 7.626 ( 4.944 3.389 0.000) 5.994 7.636 ( 6.173 2.555 0.000) 6.681 7.673 ( 3.187 3.509 0.000) 4.740 7.714 ( 2.340 -0.874 0.000) 2.498 7.851 ( -2.441 4.037 0.000) 4.718 7.895 ( -4.137 -0.876 0.000) 4.228 8.155 ( 7.814 4.645 0.000) 9.091 8.161 ( 7.179 3.562 0.000) 8.014 8.519 ( 10.976 1.792 0.000) 11.122 8.537 ( 13.405 -0.509 0.000) 13.415 8.777 ( -1.556 10.502 0.000) 10.616 8.922 ( -0.952 -3.667 0.000) 3.789 9.274 ( -11.530 6.812 0.000) 13.392 9.322 ( 2.937 1.509 0.000) 3.301 9.402 ( 7.456 -1.831 0.000) 7.677 9.474 ( -8.143 -7.650 0.000) 11.173 10.015 ( -2.645 5.608 0.000) 6.200 10.106 ( -7.235 -3.501 0.000) 8.038 10.295 ( -2.853 9.007 0.000) 9.448 10.459 ( -8.654 -7.300 0.000) 11.322 11.263 ( 4.120 9.381 0.000) 10.246 11.418 ( -2.708 -6.755 0.000) 7.278 12.362 ( 6.493 1.042 0.000) 6.576 12.387 ( 8.671 -0.387 0.000) 8.679 12.530 ( 6.627 -3.289 0.000) 7.398 12.545 ( 3.082 -6.137 0.000) 6.868 12.864 ( 0.983 3.969 0.000) 4.089 12.868 ( -0.330 3.403 0.000) 3.419 13.092 ( -15.560 0.761 0.000) 15.578 13.157 ( -16.552 -5.170 0.000) 17.340 13.236 ( -0.440 0.670 0.000) 0.801 13.246 ( -0.771 4.251 0.000) 4.320 13.354 ( -4.296 -2.238 0.000) 4.844 13.376 ( -10.984 -2.027 0.000) 11.169 13.556 ( 1.127 -6.868 0.000) 6.960 13.640 ( -3.096 -14.848 0.000) 15.168 14.256 ( 2.968 5.775 0.000) 6.493 14.422 ( 3.016 -8.589 0.000) 9.103 14.585 ( -7.380 6.421 0.000) 9.782 14.722 ( -17.157 -5.848 0.000) 18.126 14.966 ( -6.543 -3.250 0.000) 7.306 15.085 ( -10.478 -12.012 0.000) 15.940 15.219 ( -0.050 1.577 0.000) 1.578 15.227 ( 0.265 0.540 0.000) 0.602 15.426 ( 3.701 6.847 0.000) 7.783 15.531 ( -1.713 -3.439 0.000) 3.842 15.818 ( 5.967 9.149 0.000) 10.923 15.950 ( 6.511 -3.083 0.000) 7.204 16.014 ( 1.543 2.811 0.000) 3.206 16.066 ( 4.092 -1.972 0.000) 4.542 16.416 ( -13.545 2.755 0.000) 13.822 16.444 ( -17.191 -0.626 0.000) 17.202 17.228 ( 0.629 7.034 0.000) 7.063 17.311 ( -9.468 -1.711 0.000) 9.622 17.468 ( -9.245 2.221 0.000) 9.508 17.475 ( -2.155 2.152 0.000) 3.046 20.115 ( 0.407 -0.255 0.000) 0.480 20.216 ( -3.060 -9.957 0.000) 10.416 20.927 ( 6.531 1.508 0.000) 6.703 20.990 ( 7.294 -4.771 0.000) 8.716 21.288 ( -7.316 0.191 0.000) 7.319 21.328 ( -5.936 -4.068 0.000) 7.196 22.485 ( 1.123 5.274 0.000) 5.393 22.579 ( 0.036 -4.624 0.000) 4.624 22.632 ( -0.868 3.835 0.000) 3.932 22.691 ( -0.810 -2.510 0.000) 2.638 23.193 ( 1.758 3.801 0.000) 4.188 23.262 ( -1.751 -3.332 0.000) 3.764 ======================= Grid point 49 (30/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -5.741 -7.838 0.000) 9.715 1.778 ( 5.741 -7.838 0.000) 9.715 2.041 ( -0.873 -1.063 0.000) 1.376 2.041 ( 0.873 -1.063 0.000) 1.376 2.260 ( -0.476 -0.580 0.000) 0.750 2.260 ( 0.476 -0.580 0.000) 0.750 2.539 ( -0.822 3.825 0.000) 3.913 2.539 ( 0.822 3.826 0.000) 3.913 2.643 ( -3.383 -5.550 0.000) 6.499 2.643 ( 3.383 -5.550 0.000) 6.499 3.037 ( -7.034 4.236 0.000) 8.211 3.037 ( 7.034 4.236 0.000) 8.211 3.162 ( -0.170 -3.423 0.000) 3.427 3.162 ( 0.170 -3.423 0.000) 3.427 3.246 ( -0.283 2.600 0.000) 2.615 3.246 ( 0.283 2.600 0.000) 2.615 3.473 ( -2.544 -12.427 0.000) 12.685 3.473 ( 2.544 -12.427 0.000) 12.685 3.700 ( -2.521 -6.386 0.000) 6.866 3.700 ( 2.521 -6.386 0.000) 6.866 4.164 ( -8.236 2.642 0.000) 8.650 4.164 ( 8.236 2.642 0.000) 8.650 4.627 ( -8.227 -7.585 0.000) 11.190 4.627 ( 8.228 -7.585 0.000) 11.190 5.207 ( -3.452 3.075 0.000) 4.623 5.207 ( 3.453 3.075 0.000) 4.623 5.267 ( -0.787 2.330 0.000) 2.459 5.267 ( 0.787 2.330 0.000) 2.459 5.880 ( -0.556 3.110 0.000) 3.160 5.880 ( 0.556 3.110 0.000) 3.160 6.131 ( -0.446 2.241 0.000) 2.285 6.131 ( 0.446 2.241 0.000) 2.285 6.230 ( -0.963 -0.464 0.000) 1.069 6.230 ( 0.963 -0.464 0.000) 1.069 6.894 ( -2.243 2.382 0.000) 3.271 6.894 ( 2.243 2.382 0.000) 3.272 6.967 ( -1.092 0.970 0.000) 1.460 6.967 ( 1.092 0.970 0.000) 1.460 7.289 ( -0.041 2.070 0.000) 2.071 7.289 ( 0.041 2.070 0.000) 2.071 7.713 ( -0.743 3.378 0.000) 3.459 7.713 ( 0.743 3.378 0.000) 3.459 7.747 ( -2.598 3.205 0.000) 4.126 7.747 ( 2.598 3.205 0.000) 4.126 7.804 ( -2.719 1.880 0.000) 3.305 7.804 ( 2.719 1.880 0.000) 3.305 8.245 ( -0.065 5.225 0.000) 5.225 8.245 ( 0.065 5.225 0.000) 5.225 8.702 ( -4.660 4.775 0.000) 6.673 8.702 ( 4.660 4.776 0.000) 6.673 8.827 ( -10.533 -1.693 0.000) 10.668 8.827 ( 10.533 -1.692 0.000) 10.668 9.146 ( -5.721 1.970 0.000) 6.050 9.146 ( 5.721 1.970 0.000) 6.050 9.510 ( -0.062 -3.553 0.000) 3.554 9.510 ( 0.062 -3.553 0.000) 3.554 10.010 ( -1.963 0.942 0.000) 2.177 10.010 ( 1.963 0.942 0.000) 2.177 10.301 ( -4.658 0.515 0.000) 4.686 10.301 ( 4.658 0.515 0.000) 4.686 11.350 ( -3.894 1.316 0.000) 4.111 11.350 ( 3.894 1.316 0.000) 4.111 12.469 ( -2.293 6.904 0.000) 7.275 12.469 ( 2.293 6.904 0.000) 7.275 12.643 ( -0.965 -11.381 0.000) 11.422 12.643 ( 0.965 -11.382 0.000) 11.422 12.852 ( -1.899 0.933 0.000) 2.116 12.852 ( 1.899 0.932 0.000) 2.116 12.885 ( -0.356 0.405 0.000) 0.540 12.885 ( 0.356 0.406 0.000) 0.540 13.217 ( -0.526 4.184 0.000) 4.217 13.217 ( 0.526 4.184 0.000) 4.217 13.316 ( -1.586 -2.728 0.000) 3.155 13.316 ( 1.586 -2.728 0.000) 3.155 13.586 ( -2.000 -10.399 0.000) 10.589 13.586 ( 2.000 -10.399 0.000) 10.589 14.389 ( -9.708 -7.490 0.000) 12.262 14.389 ( 9.708 -7.490 0.000) 12.262 14.499 ( -1.105 1.229 0.000) 1.653 14.499 ( 1.106 1.229 0.000) 1.653 14.937 ( -3.242 -5.355 0.000) 6.260 14.937 ( 3.242 -5.355 0.000) 6.260 15.229 ( -0.362 0.943 0.000) 1.010 15.229 ( 0.362 0.943 0.000) 1.010 15.486 ( -2.263 2.794 0.000) 3.595 15.486 ( 2.263 2.794 0.000) 3.595 15.965 ( -4.000 4.828 0.000) 6.270 15.965 ( 4.000 4.828 0.000) 6.270 16.108 ( -0.245 -0.862 0.000) 0.896 16.108 ( 0.245 -0.862 0.000) 0.896 16.237 ( -1.913 -0.818 0.000) 2.080 16.237 ( 1.913 -0.818 0.000) 2.080 17.185 ( -0.344 1.395 0.000) 1.437 17.185 ( 0.344 1.395 0.000) 1.437 17.436 ( -2.178 5.755 0.000) 6.153 17.436 ( 2.178 5.755 0.000) 6.153 20.147 ( -2.776 -6.209 0.000) 6.801 20.147 ( 2.776 -6.209 0.000) 6.801 21.087 ( -6.198 0.730 0.000) 6.241 21.087 ( 6.198 0.730 0.000) 6.241 21.183 ( -5.559 -4.546 0.000) 7.181 21.183 ( 5.559 -4.545 0.000) 7.181 22.527 ( -2.873 2.131 0.000) 3.577 22.527 ( 2.873 2.131 0.000) 3.577 22.661 ( -1.911 -1.415 0.000) 2.378 22.661 ( 1.911 -1.415 0.000) 2.378 23.225 ( -1.618 0.414 0.000) 1.670 23.225 ( 1.618 0.414 0.000) 1.670 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 0.000 30.132) 30.132 0.750 ( 0.000 0.000 34.620) 34.620 1.180 ( 0.000 0.000 7.912) 7.912 1.357 ( 0.000 0.000 24.514) 24.514 1.429 ( 0.000 0.000 -29.639) 29.639 2.130 ( 0.000 0.000 12.283) 12.283 2.138 ( 0.000 0.000 -12.625) 12.625 2.350 ( 0.000 0.000 11.968) 11.968 2.402 ( 0.000 0.000 -14.780) 14.780 2.550 ( 0.000 0.000 -8.919) 8.919 2.780 ( 0.000 0.000 1.175) 1.175 2.808 ( 0.000 0.000 -3.368) 3.368 2.872 ( 0.000 0.000 -6.572) 6.572 3.019 ( 0.000 0.000 -29.831) 29.831 3.382 ( 0.000 0.000 9.276) 9.276 3.418 ( 0.000 0.000 3.221) 3.221 3.464 ( 0.000 0.000 -0.203) 0.203 3.667 ( 0.000 0.000 26.670) 26.670 3.671 ( 0.000 0.000 -17.258) 17.258 3.894 ( 0.000 0.000 21.417) 21.417 4.263 ( 0.000 0.000 -25.264) 25.264 4.308 ( 0.000 0.000 6.697) 6.697 4.338 ( 0.000 0.000 4.021) 4.021 4.382 ( 0.000 0.000 -20.515) 20.515 5.059 ( 0.000 0.000 2.817) 2.817 5.123 ( 0.000 0.000 1.356) 1.356 5.224 ( 0.000 0.000 9.168) 9.168 5.252 ( 0.000 0.000 12.115) 12.115 5.682 ( 0.000 0.000 7.028) 7.028 5.917 ( 0.000 0.000 11.800) 11.800 5.998 ( 0.000 0.000 -11.455) 11.455 6.005 ( 0.000 0.000 3.844) 3.844 6.346 ( 0.000 0.000 -3.393) 3.393 6.440 ( 0.000 0.000 1.931) 1.931 6.464 ( 0.000 0.000 -14.214) 14.214 6.544 ( 0.000 0.000 -7.710) 7.710 6.724 ( 0.000 0.000 -1.005) 1.005 6.766 ( 0.000 0.000 -4.536) 4.536 6.836 ( 0.000 0.000 11.379) 11.379 7.063 ( 0.000 0.000 -10.533) 10.533 7.185 ( 0.000 0.000 3.043) 3.043 7.247 ( 0.000 0.000 -2.550) 2.550 7.302 ( 0.000 0.000 7.746) 7.746 7.348 ( 0.000 0.000 5.464) 5.464 7.460 ( 0.000 0.000 -4.416) 4.416 7.485 ( 0.000 0.000 -8.290) 8.290 7.774 ( 0.000 0.000 11.975) 11.975 7.795 ( 0.000 0.000 3.030) 3.030 7.856 ( 0.000 0.000 -2.410) 2.410 7.911 ( 0.000 0.000 -1.165) 1.165 8.031 ( 0.000 0.000 0.192) 0.192 8.085 ( 0.000 0.000 -4.697) 4.697 8.491 ( 0.000 0.000 5.816) 5.816 8.609 ( 0.000 0.000 -4.530) 4.530 8.996 ( 0.000 0.000 12.895) 12.895 9.309 ( 0.000 0.000 -15.252) 15.252 10.190 ( 0.000 0.000 20.175) 20.175 10.655 ( 0.000 0.000 -22.881) 22.881 11.449 ( 0.000 0.000 11.738) 11.738 11.620 ( 0.000 0.000 -4.954) 4.954 12.573 ( 0.000 0.000 0.259) 0.259 12.577 ( 0.000 0.000 -0.110) 0.110 12.589 ( 0.000 0.000 0.081) 0.081 12.591 ( 0.000 0.000 -0.116) 0.116 12.715 ( 0.000 0.000 -0.545) 0.545 12.733 ( 0.000 0.000 -2.312) 2.312 12.974 ( 0.000 0.000 2.943) 2.943 13.029 ( 0.000 0.000 -1.845) 1.845 13.206 ( 0.000 0.000 4.369) 4.369 13.273 ( 0.000 0.000 -1.672) 1.672 13.295 ( 0.000 0.000 0.569) 0.569 13.317 ( 0.000 0.000 -1.412) 1.412 13.443 ( 0.000 0.000 2.368) 2.368 13.488 ( 0.000 0.000 -1.663) 1.663 14.143 ( 0.000 0.000 0.773) 0.773 14.218 ( 0.000 0.000 -6.781) 6.781 14.557 ( 0.000 0.000 7.092) 7.092 14.595 ( 0.000 0.000 5.066) 5.066 14.743 ( 0.000 0.000 0.275) 0.275 14.752 ( 0.000 0.000 -0.585) 0.585 15.044 ( 0.000 0.000 -2.070) 2.070 15.115 ( 0.000 0.000 -9.025) 9.025 15.360 ( 0.000 0.000 4.220) 4.220 15.455 ( 0.000 0.000 -4.042) 4.042 15.685 ( 0.000 0.000 6.229) 6.229 15.784 ( 0.000 0.000 -2.560) 2.560 15.944 ( 0.000 0.000 8.355) 8.355 16.172 ( 0.000 0.000 -11.814) 11.814 17.082 ( 0.000 0.000 13.617) 13.617 17.352 ( 0.000 0.000 -10.495) 10.495 17.414 ( 0.000 0.000 5.999) 5.999 17.573 ( 0.000 0.000 -8.250) 8.250 18.062 ( 0.000 0.000 6.180) 6.180 18.170 ( 0.000 0.000 -3.676) 3.676 18.635 ( 0.000 0.000 0.487) 0.487 18.648 ( 0.000 0.000 -0.583) 0.583 20.393 ( 0.000 0.000 17.060) 17.060 20.432 ( 0.000 0.000 0.716) 0.716 20.448 ( 0.000 0.000 -0.665) 0.665 20.655 ( 0.000 0.000 0.135) 0.135 20.658 ( 0.000 0.000 -0.174) 0.174 20.868 ( 0.000 0.000 -26.906) 26.906 21.333 ( 0.000 0.000 0.370) 0.370 21.341 ( 0.000 0.000 -0.370) 0.370 22.122 ( 0.000 0.000 29.482) 29.482 22.707 ( 0.000 0.000 -25.908) 25.908 23.570 ( 0.000 0.000 14.334) 14.334 23.799 ( 0.000 0.000 -7.371) 7.371 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 15.373 0.000 20.544) 25.659 1.015 ( 27.340 0.000 15.406) 31.382 1.395 ( 0.513 0.000 -26.044) 26.049 1.429 ( 17.041 0.000 -17.003) 24.073 1.772 ( 33.131 0.000 41.275) 52.928 2.158 ( 2.410 0.000 10.885) 11.149 2.224 ( 4.337 0.000 -2.994) 5.270 2.243 ( -3.474 0.000 10.348) 10.915 2.528 ( -1.895 0.000 -10.020) 10.197 2.646 ( 14.849 0.000 -12.600) 19.475 2.679 ( -4.771 0.000 0.830) 4.843 2.778 ( 0.333 0.000 -8.557) 8.564 2.990 ( 6.432 0.000 -4.739) 7.989 3.113 ( 6.768 0.000 -26.978) 27.814 3.383 ( 2.272 0.000 6.179) 6.584 3.412 ( 2.458 0.000 3.014) 3.889 3.536 ( 5.096 0.000 5.646) 7.605 3.720 ( -6.591 0.000 8.791) 10.987 3.773 ( 10.635 0.000 20.112) 22.750 3.817 ( 1.861 0.000 -3.664) 4.109 4.212 ( -9.455 0.000 -16.652) 19.149 4.261 ( 2.421 0.000 -19.719) 19.867 4.444 ( 10.026 0.000 4.930) 11.172 4.497 ( 8.565 0.000 -0.470) 8.578 5.009 ( -3.536 0.000 3.892) 5.258 5.091 ( -2.974 0.000 -1.121) 3.178 5.257 ( 0.252 0.000 16.197) 16.199 5.272 ( 4.789 0.000 6.406) 7.999 5.642 ( -2.631 0.000 2.463) 3.604 5.900 ( -5.490 0.000 -3.373) 6.443 5.921 ( -0.511 0.000 6.825) 6.844 6.010 ( -0.408 0.000 7.720) 7.731 6.352 ( -0.019 0.000 -6.296) 6.296 6.454 ( -0.530 0.000 -10.844) 10.857 6.512 ( -0.118 0.000 -8.049) 8.050 6.518 ( -1.847 0.000 -6.053) 6.329 6.846 ( 0.910 0.000 10.055) 10.096 6.940 ( 8.689 0.000 1.498) 8.817 6.968 ( 7.263 0.000 -5.745) 9.260 7.060 ( 1.404 0.000 -6.510) 6.659 7.173 ( 5.995 0.000 6.705) 8.994 7.315 ( 5.315 0.000 -5.711) 7.802 7.327 ( 1.847 0.000 1.903) 2.652 7.393 ( 1.313 0.000 -2.804) 3.096 7.497 ( 10.444 0.000 5.563) 11.833 7.689 ( 9.901 0.000 -12.842) 16.216 7.770 ( -1.835 0.000 2.423) 3.039 7.794 ( 1.698 0.000 6.995) 7.198 7.829 ( -2.499 0.000 -2.013) 3.209 7.909 ( 0.472 0.000 -0.206) 0.515 8.063 ( -1.458 0.000 -2.990) 3.327 8.116 ( 12.095 0.000 -9.257) 15.231 8.451 ( -3.429 0.000 5.100) 6.145 8.573 ( -3.216 0.000 -4.658) 5.661 8.930 ( -5.674 0.000 12.106) 13.369 9.229 ( -7.195 0.000 -14.491) 16.179 10.119 ( -6.368 0.000 19.076) 20.110 10.570 ( -7.674 0.000 -22.558) 23.828 11.373 ( -6.756 0.000 12.169) 13.918 11.547 ( -7.566 0.000 -3.873) 8.499 11.901 ( -54.564 0.000 60.854) 81.734 12.407 ( -15.846 0.000 -5.368) 16.730 12.629 ( -3.931 0.000 3.562) 5.305 12.649 ( 0.936 0.000 0.987) 1.360 12.651 ( 1.850 0.000 2.193) 2.869 12.728 ( 0.041 0.000 -4.917) 4.917 12.897 ( -4.765 0.000 3.683) 6.023 12.938 ( -3.210 0.000 0.823) 3.314 13.005 ( -0.410 0.000 4.736) 4.754 13.160 ( 3.532 0.000 7.419) 8.217 13.269 ( -5.335 0.000 -10.106) 11.427 13.292 ( 6.292 0.000 -5.226) 8.180 13.518 ( 9.888 0.000 -0.067) 9.888 13.554 ( 5.132 0.000 -3.532) 6.230 14.144 ( 0.557 0.000 0.191) 0.589 14.243 ( 2.952 0.000 -8.033) 8.558 14.461 ( -4.891 0.000 3.500) 6.014 14.488 ( 0.741 0.000 0.061) 0.743 14.739 ( -0.861 0.000 6.550) 6.606 14.805 ( 2.331 0.000 3.029) 3.822 14.994 ( -1.970 0.000 -3.988) 4.448 15.055 ( -3.116 0.000 -10.889) 11.326 15.324 ( -4.490 0.000 5.036) 6.747 15.430 ( -5.327 0.000 -3.773) 6.528 15.614 ( -15.585 0.000 8.012) 17.524 15.682 ( -1.883 0.000 1.480) 2.396 15.862 ( -1.662 0.000 0.355) 1.700 16.006 ( -9.596 0.000 -13.565) 16.616 16.778 ( -19.931 0.000 15.379) 25.175 17.065 ( -20.202 0.000 -11.248) 23.122 17.466 ( -0.886 0.000 4.707) 4.790 17.564 ( -5.767 0.000 -3.397) 6.693 18.045 ( -6.371 0.000 3.297) 7.173 18.142 ( -12.447 0.000 -5.365) 13.554 18.524 ( -10.477 0.000 1.092) 10.533 18.541 ( -10.163 0.000 -0.347) 10.169 20.402 ( 4.300 0.000 8.358) 9.400 20.495 ( 4.942 0.000 -1.836) 5.273 20.572 ( 9.272 0.000 7.214) 11.748 20.854 ( 5.327 0.000 -13.897) 14.883 20.957 ( 22.375 0.000 3.026) 22.579 21.097 ( 14.598 0.000 -12.121) 18.974 21.448 ( 10.440 0.000 4.148) 11.234 21.608 ( 16.146 0.000 -9.848) 18.913 22.256 ( 10.608 0.000 15.195) 18.531 22.717 ( 0.691 0.000 -23.482) 23.492 23.537 ( -3.184 0.000 14.031) 14.388 23.763 ( -3.481 0.000 -7.319) 8.105 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 25.774 0.000 1.165) 25.800 1.490 ( 13.517 0.000 -15.294) 20.411 1.649 ( 25.469 0.000 5.979) 26.162 1.817 ( 17.530 0.000 -9.344) 19.865 2.202 ( 1.976 0.000 5.843) 6.168 2.202 ( 1.500 0.000 8.241) 8.376 2.317 ( 4.142 0.000 0.905) 4.240 2.428 ( 12.567 0.000 1.380) 12.642 2.568 ( 13.465 0.000 14.771) 19.988 2.630 ( 8.243 0.000 6.096) 10.253 2.679 ( -3.024 0.000 -7.087) 7.706 3.065 ( 15.741 0.000 -2.978) 16.020 3.130 ( 7.931 0.000 -1.911) 8.158 3.176 ( -2.149 0.000 -1.761) 2.778 3.466 ( -13.144 0.000 17.235) 21.675 3.562 ( 16.086 0.000 -16.272) 22.881 3.564 ( 10.813 0.000 4.627) 11.761 3.712 ( 12.275 0.000 -2.700) 12.568 3.868 ( 0.898 0.000 -13.254) 13.284 3.980 ( -10.633 0.000 -19.044) 21.812 4.072 ( 16.058 0.000 15.112) 22.051 4.409 ( 10.758 0.000 -13.015) 16.885 4.667 ( 10.361 0.000 5.142) 11.567 4.707 ( 9.943 0.000 0.934) 9.986 4.920 ( -5.435 0.000 3.473) 6.450 5.004 ( -5.141 0.000 -2.137) 5.567 5.243 ( -1.906 0.000 22.410) 22.491 5.375 ( 3.571 0.000 1.381) 3.828 5.594 ( -1.836 0.000 -4.930) 5.261 5.787 ( -5.663 0.000 -11.130) 12.488 5.908 ( 0.848 0.000 10.438) 10.472 5.996 ( -0.143 0.000 12.074) 12.075 6.313 ( -3.967 0.000 -10.656) 11.370 6.455 ( -0.114 0.000 1.518) 1.523 6.465 ( -2.859 0.000 -17.482) 17.715 6.506 ( 1.276 0.000 -3.567) 3.788 6.855 ( 0.326 0.000 9.154) 9.160 6.941 ( -3.906 0.000 6.819) 7.859 6.957 ( -2.246 0.000 -0.103) 2.249 7.074 ( -2.204 0.000 -4.760) 5.246 7.287 ( -3.735 0.000 -0.559) 3.776 7.312 ( -3.657 0.000 -2.510) 4.435 7.530 ( 19.358 0.000 4.954) 19.981 7.552 ( 4.375 0.000 2.239) 4.915 7.624 ( -0.803 0.000 5.286) 5.347 7.705 ( -1.751 0.000 4.121) 4.478 7.750 ( -1.714 0.000 4.879) 5.172 7.765 ( -1.398 0.000 -1.803) 2.281 7.840 ( 2.410 0.000 -12.214) 12.450 7.881 ( -6.107 0.000 -4.378) 7.514 8.176 ( 14.453 0.000 9.999) 17.575 8.338 ( -4.226 0.000 8.878) 9.832 8.490 ( -4.423 0.000 -5.120) 6.766 8.598 ( 25.273 0.000 -32.671) 41.306 8.826 ( -1.294 0.000 8.837) 8.931 9.058 ( -6.817 0.000 -11.492) 13.362 9.956 ( -8.669 0.000 15.974) 18.174 10.368 ( -11.067 0.000 -22.007) 24.633 11.102 ( -19.380 0.000 51.016) 54.573 11.184 ( -11.273 0.000 12.467) 16.808 11.434 ( -8.095 0.000 2.879) 8.591 11.999 ( -18.700 0.000 -18.987) 26.650 12.499 ( -7.920 0.000 2.732) 8.377 12.575 ( -3.479 0.000 -0.981) 3.614 12.585 ( -8.604 0.000 7.465) 11.391 12.805 ( -3.961 0.000 -4.830) 6.246 12.919 ( 9.661 0.000 0.292) 9.665 12.987 ( 9.969 0.000 -5.403) 11.339 13.060 ( 4.537 0.000 1.984) 4.952 13.168 ( -0.053 0.000 -12.891) 12.891 13.337 ( 9.290 0.000 5.209) 10.650 13.492 ( 6.076 0.000 -8.818) 10.709 13.661 ( 7.968 0.000 1.412) 8.093 13.699 ( 7.354 0.000 -2.186) 7.672 14.188 ( 3.444 0.000 4.051) 5.317 14.292 ( 1.127 0.000 -4.546) 4.684 14.439 ( 1.721 0.000 7.822) 8.009 14.586 ( 6.837 0.000 -7.086) 9.846 14.728 ( 0.157 0.000 9.968) 9.969 14.888 ( 6.990 0.000 2.926) 7.578 14.989 ( -2.659 0.000 -8.366) 8.779 15.002 ( 2.653 0.000 -2.820) 3.872 15.157 ( -9.000 0.000 7.554) 11.750 15.268 ( -9.307 0.000 -1.530) 9.432 15.380 ( -5.772 0.000 6.761) 8.890 15.569 ( -7.786 0.000 -8.764) 11.723 15.842 ( -1.088 0.000 -1.048) 1.511 15.864 ( -4.288 0.000 -5.119) 6.678 16.375 ( -17.683 0.000 12.846) 21.857 16.619 ( -21.594 0.000 -9.731) 23.685 17.289 ( -19.521 0.000 2.188) 19.644 17.295 ( -15.051 0.000 1.503) 15.126 17.720 ( -25.316 0.000 0.428) 25.320 17.770 ( -18.547 0.000 -4.081) 18.991 18.208 ( -19.710 0.000 2.378) 19.853 18.236 ( -18.792 0.000 -0.214) 18.794 20.566 ( 10.368 0.000 5.297) 11.643 20.653 ( 9.641 0.000 -2.696) 10.011 20.775 ( 9.513 0.000 6.236) 11.374 20.973 ( 6.046 0.000 -10.206) 11.863 21.341 ( 9.878 0.000 -3.533) 10.491 21.357 ( 14.873 0.000 -3.566) 15.294 21.726 ( 14.650 0.000 9.748) 17.596 21.836 ( 7.096 0.000 4.163) 8.227 22.464 ( 8.763 0.000 2.534) 9.122 22.721 ( -0.640 0.000 -17.941) 17.952 23.438 ( -6.387 0.000 13.285) 14.741 23.655 ( -6.829 0.000 -7.182) 9.910 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 16.579 0.000 -0.507) 16.586 1.793 ( 19.408 0.000 -0.773) 19.423 2.043 ( 4.059 0.000 -3.534) 5.382 2.058 ( 12.959 0.000 -5.708) 14.161 2.238 ( 1.199 0.000 4.607) 4.761 2.310 ( 5.775 0.000 -0.965) 5.855 2.438 ( 5.432 0.000 -0.958) 5.515 2.478 ( 0.970 0.000 -5.880) 5.959 2.662 ( 5.081 0.000 1.200) 5.220 2.702 ( 9.222 0.000 -0.117) 9.223 3.066 ( -4.889 0.000 12.800) 13.702 3.094 ( -2.443 0.000 13.561) 13.779 3.241 ( -1.288 0.000 -3.434) 3.668 3.245 ( 14.262 0.000 2.370) 14.457 3.466 ( 20.289 0.000 13.559) 24.403 3.805 ( 10.256 0.000 -2.962) 10.675 3.826 ( 2.534 0.000 -15.491) 15.697 3.947 ( 9.905 0.000 -0.430) 9.914 3.991 ( 18.780 0.000 -14.101) 23.485 4.021 ( 16.262 0.000 -13.048) 20.849 4.411 ( 14.947 0.000 11.056) 18.591 4.620 ( 7.237 0.000 -6.668) 9.841 4.743 ( -8.505 0.000 3.865) 9.341 4.776 ( -7.896 0.000 4.806) 9.244 4.823 ( 2.996 0.000 0.934) 3.139 4.937 ( -2.211 0.000 -4.054) 4.617 5.232 ( 3.494 0.000 21.862) 22.139 5.368 ( -4.777 0.000 7.890) 9.224 5.567 ( -0.645 0.000 -9.297) 9.319 5.688 ( -1.663 0.000 -20.097) 20.165 6.013 ( 8.706 0.000 7.815) 11.699 6.015 ( 1.129 0.000 14.752) 14.795 6.223 ( -2.840 0.000 -10.073) 10.466 6.365 ( -4.566 0.000 -10.587) 11.529 6.499 ( 2.856 0.000 -1.768) 3.359 6.566 ( 4.265 0.000 -4.099) 5.915 6.831 ( -6.568 0.000 8.539) 10.773 6.882 ( 2.490 0.000 7.032) 7.460 6.921 ( -2.170 0.000 0.963) 2.374 6.987 ( -4.600 0.000 -1.302) 4.781 7.186 ( -7.734 0.000 -2.123) 8.020 7.192 ( -5.475 0.000 -3.697) 6.607 7.481 ( -7.661 0.000 4.079) 8.679 7.491 ( -9.745 0.000 4.238) 10.626 7.594 ( -7.608 0.000 2.197) 7.919 7.604 ( -6.076 0.000 4.267) 7.425 7.672 ( -11.506 0.000 -2.881) 11.861 7.724 ( -4.216 0.000 -2.450) 4.876 7.972 ( 8.886 0.000 -1.887) 9.084 8.036 ( 15.425 0.000 -6.463) 16.724 8.242 ( -4.244 0.000 7.785) 8.867 8.393 ( -2.874 0.000 -3.704) 4.688 8.461 ( 11.875 0.000 12.096) 16.951 8.841 ( 0.016 0.000 -19.362) 19.362 9.031 ( 20.921 0.000 7.014) 22.065 9.274 ( 25.634 0.000 -17.748) 31.179 9.763 ( -9.815 0.000 11.707) 15.277 10.113 ( -13.751 0.000 -20.167) 24.409 10.865 ( -6.639 0.000 28.368) 29.135 10.903 ( -15.670 0.000 11.501) 19.438 11.288 ( -5.125 0.000 8.443) 9.877 11.741 ( -5.659 0.000 -18.303) 19.158 12.265 ( -17.259 0.000 11.517) 20.749 12.357 ( -6.464 0.000 7.219) 9.690 12.629 ( 4.552 0.000 -9.576) 10.603 12.638 ( -8.306 0.000 -13.576) 15.915 13.128 ( -0.705 0.000 0.300) 0.766 13.143 ( 10.478 0.000 3.855) 11.165 13.222 ( 10.549 0.000 4.214) 11.359 13.326 ( 12.958 0.000 -6.843) 14.654 13.413 ( -3.100 0.000 -5.405) 6.231 13.480 ( -0.864 0.000 -6.369) 6.428 13.860 ( 8.798 0.000 2.906) 9.266 13.919 ( 12.984 0.000 -3.081) 13.345 14.259 ( 2.851 0.000 4.671) 5.473 14.297 ( -0.597 0.000 0.750) 0.958 14.495 ( 3.188 0.000 7.978) 8.591 14.688 ( 2.646 0.000 -9.950) 10.296 14.742 ( 0.052 0.000 12.589) 12.589 14.965 ( 1.245 0.000 -6.589) 6.706 15.007 ( -1.028 0.000 3.256) 3.415 15.074 ( -8.261 0.000 -1.464) 8.389 15.163 ( 8.767 0.000 2.287) 9.061 15.166 ( 18.483 0.000 2.036) 18.595 15.345 ( 3.592 0.000 0.945) 3.714 15.434 ( -4.173 0.000 -7.887) 8.923 15.762 ( -6.743 0.000 2.096) 7.061 15.792 ( -4.494 0.000 -1.255) 4.666 16.081 ( -9.835 0.000 4.497) 10.814 16.203 ( -17.605 0.000 -5.787) 18.532 16.844 ( -20.389 0.000 3.338) 20.660 16.902 ( -20.399 0.000 -1.482) 20.453 17.170 ( -26.161 0.000 5.317) 26.696 17.322 ( -23.557 0.000 -8.157) 24.929 17.719 ( -26.631 0.000 4.186) 26.958 17.776 ( -24.896 0.000 -1.256) 24.927 20.788 ( 10.109 0.000 3.712) 10.769 20.864 ( 9.866 0.000 -2.994) 10.311 20.947 ( 6.662 0.000 4.740) 8.177 21.088 ( 4.613 0.000 -7.390) 8.711 21.526 ( 8.050 0.000 0.456) 8.063 21.616 ( 11.092 0.000 -7.210) 13.230 21.929 ( 1.937 0.000 10.829) 11.001 21.996 ( 10.324 0.000 5.338) 11.622 22.634 ( 8.070 0.000 -3.172) 8.671 22.693 ( -1.548 0.000 -10.131) 10.249 23.274 ( -9.242 0.000 12.442) 15.499 23.482 ( -9.617 0.000 -7.051) 11.925 ======================= Grid point 103 (35/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 9.306 0.000 1.218) 9.385 2.068 ( 2.516 0.000 -1.570) 2.966 2.183 ( 8.441 0.000 6.083) 10.404 2.221 ( 3.056 0.000 4.232) 5.220 2.313 ( 6.896 0.000 -2.533) 7.346 2.360 ( 2.786 0.000 -9.911) 10.296 2.488 ( 5.388 0.000 -2.530) 5.952 2.546 ( 4.355 0.000 -4.792) 6.476 2.723 ( -4.502 0.000 7.135) 8.436 2.813 ( -6.241 0.000 9.356) 11.246 2.833 ( -4.561 0.000 -1.414) 4.775 3.042 ( -13.378 0.000 -6.109) 14.706 3.306 ( 21.132 0.000 10.597) 23.640 3.603 ( 17.558 0.000 -13.733) 22.291 3.886 ( 13.757 0.000 3.435) 14.179 3.983 ( 7.750 0.000 -6.563) 10.156 4.060 ( 14.231 0.000 5.677) 15.322 4.228 ( -1.461 0.000 -6.723) 6.880 4.244 ( 15.732 0.000 3.185) 16.051 4.337 ( 13.160 0.000 -4.932) 14.054 4.559 ( -4.604 0.000 6.491) 7.958 4.613 ( -5.630 0.000 9.277) 10.852 4.631 ( 3.868 0.000 4.073) 5.617 4.647 ( -4.742 0.000 -1.666) 5.026 4.791 ( -4.298 0.000 -2.879) 5.173 4.891 ( 3.733 0.000 -9.815) 10.501 5.179 ( -12.714 0.000 9.028) 15.593 5.278 ( -3.454 0.000 3.454) 4.885 5.627 ( 7.786 0.000 -0.877) 7.836 5.785 ( 9.913 0.000 -13.034) 16.375 5.970 ( -5.420 0.000 9.095) 10.587 6.146 ( -0.852 0.000 -4.544) 4.624 6.276 ( 7.375 0.000 0.494) 7.392 6.358 ( 7.192 0.000 -6.628) 9.780 6.566 ( 3.003 0.000 3.007) 4.250 6.648 ( -4.111 0.000 2.172) 4.650 6.703 ( 2.091 0.000 0.814) 2.244 6.815 ( -5.768 0.000 -3.427) 6.710 6.934 ( -3.775 0.000 5.951) 7.048 6.960 ( 4.474 0.000 4.634) 6.441 7.016 ( -7.910 0.000 -1.325) 8.020 7.078 ( -3.203 0.000 -5.851) 6.670 7.279 ( -9.599 0.000 4.412) 10.564 7.295 ( -9.486 0.000 2.528) 9.817 7.414 ( -9.506 0.000 0.528) 9.521 7.461 ( -3.676 0.000 -3.179) 4.860 7.468 ( -8.013 0.000 5.957) 9.985 7.595 ( -7.129 0.000 -4.182) 8.265 8.106 ( 3.429 0.000 2.855) 4.462 8.172 ( -2.317 0.000 5.474) 5.944 8.197 ( 2.984 0.000 -5.571) 6.320 8.319 ( -3.510 0.000 -6.166) 7.095 8.863 ( 23.721 0.000 0.677) 23.731 8.934 ( 9.503 0.000 -5.839) 11.153 9.479 ( -11.941 0.000 11.453) 16.546 9.544 ( 25.509 0.000 10.866) 27.727 9.784 ( -17.558 0.000 -16.638) 24.189 9.868 ( 24.505 0.000 -19.623) 31.393 10.534 ( -19.873 0.000 11.526) 22.973 10.693 ( -12.020 0.000 -0.201) 12.022 11.288 ( 6.216 0.000 21.951) 22.814 11.743 ( 5.113 0.000 -15.116) 15.957 11.886 ( -18.521 0.000 15.977) 24.460 12.171 ( -11.610 0.000 -4.190) 12.343 12.570 ( 2.533 0.000 -1.967) 3.207 12.767 ( 8.616 0.000 -13.779) 16.251 12.959 ( -12.361 0.000 8.569) 15.040 13.226 ( -11.009 0.000 -10.677) 15.336 13.358 ( 9.751 0.000 7.189) 12.114 13.450 ( 7.465 0.000 1.216) 7.564 13.562 ( 8.069 0.000 -7.537) 11.041 13.585 ( 8.430 0.000 -9.283) 12.539 14.037 ( 7.439 0.000 7.769) 10.756 14.137 ( 7.805 0.000 -2.310) 8.140 14.259 ( -3.202 0.000 4.820) 5.786 14.291 ( -0.026 0.000 2.418) 2.418 14.558 ( 2.666 0.000 6.303) 6.843 14.695 ( -3.962 0.000 10.867) 11.567 14.728 ( 1.952 0.000 -8.930) 9.141 14.907 ( -6.373 0.000 -7.054) 9.507 15.050 ( 5.841 0.000 0.898) 5.910 15.067 ( 6.325 0.000 -0.290) 6.331 15.314 ( 4.843 0.000 3.726) 6.110 15.385 ( -3.149 0.000 -1.695) 3.576 15.567 ( 6.593 0.000 -0.336) 6.601 15.594 ( 5.845 0.000 -2.107) 6.213 15.661 ( 4.433 0.000 0.691) 4.487 15.662 ( 11.014 0.000 0.768) 11.041 15.910 ( -9.052 0.000 0.021) 9.052 15.932 ( -5.370 0.000 -2.144) 5.782 16.550 ( -13.372 0.000 2.501) 13.603 16.558 ( -5.357 0.000 0.835) 5.421 16.690 ( -15.996 0.000 2.842) 16.247 16.818 ( -24.301 0.000 -8.162) 25.635 17.141 ( -27.134 0.000 5.733) 27.733 17.228 ( -26.695 0.000 -2.561) 26.817 20.963 ( 6.400 0.000 3.216) 7.163 21.041 ( 6.818 0.000 -3.699) 7.757 21.043 ( 2.513 0.000 3.759) 4.522 21.153 ( 1.395 0.000 -5.889) 6.052 21.684 ( 7.240 0.000 4.641) 8.600 21.840 ( 10.432 0.000 -9.319) 13.988 21.918 ( -2.824 0.000 11.720) 12.056 22.120 ( 0.840 0.000 -4.827) 4.899 22.699 ( 3.354 0.000 1.935) 3.872 22.815 ( 9.475 0.000 -6.145) 11.293 23.061 ( -10.830 0.000 11.621) 15.885 23.263 ( -11.173 0.000 -7.021) 13.196 ======================= Grid point 104 (36/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -3.565 0.000 2.579) 4.400 2.127 ( 3.565 0.000 2.579) 4.400 2.211 ( -7.405 0.000 -4.874) 8.865 2.211 ( 7.405 0.000 -4.874) 8.865 2.476 ( -11.255 0.000 8.546) 14.132 2.476 ( 11.255 0.000 8.546) 14.132 2.552 ( -7.222 0.000 5.712) 9.208 2.552 ( 7.222 0.000 5.712) 9.208 2.741 ( -13.681 0.000 -7.571) 15.637 2.741 ( 13.681 0.000 -7.571) 15.637 2.761 ( -4.684 0.000 -5.425) 7.168 2.761 ( 4.684 0.000 -5.425) 7.168 3.784 ( -21.655 0.000 5.538) 22.352 3.784 ( 21.655 0.000 5.538) 22.352 3.922 ( -10.589 0.000 -7.845) 13.179 3.922 ( 10.589 0.000 -7.845) 13.179 4.331 ( -12.973 0.000 1.938) 13.117 4.331 ( 12.973 0.000 1.938) 13.117 4.340 ( -10.572 0.000 0.196) 10.574 4.340 ( 10.572 0.000 0.196) 10.574 4.568 ( -9.271 0.000 1.172) 9.344 4.568 ( 9.271 0.000 1.172) 9.344 4.602 ( -5.627 0.000 -1.888) 5.935 4.602 ( 5.627 0.000 -1.888) 5.935 4.873 ( -14.939 0.000 10.924) 18.507 4.873 ( 14.939 0.000 10.924) 18.507 5.102 ( -11.778 0.000 -8.825) 14.717 5.102 ( 11.778 0.000 -8.825) 14.717 5.819 ( -8.863 0.000 6.500) 10.991 5.819 ( 8.863 0.000 6.500) 10.991 6.013 ( -10.067 0.000 -10.175) 14.313 6.013 ( 10.067 0.000 -10.175) 14.313 6.465 ( -9.789 0.000 5.689) 11.322 6.465 ( 9.789 0.000 5.689) 11.322 6.543 ( -6.813 0.000 -1.036) 6.892 6.543 ( 6.813 0.000 -1.036) 6.892 6.799 ( -5.604 0.000 0.840) 5.666 6.799 ( 5.604 0.000 0.840) 5.666 6.843 ( -7.733 0.000 -3.711) 8.577 6.843 ( 7.733 0.000 -3.711) 8.577 7.095 ( -7.918 0.000 2.887) 8.428 7.095 ( 7.918 0.000 2.887) 8.428 7.121 ( -6.192 0.000 -0.340) 6.201 7.121 ( 6.192 0.000 -0.340) 6.201 7.341 ( -2.834 0.000 6.058) 6.688 7.341 ( 2.834 0.000 6.058) 6.688 7.469 ( -4.046 0.000 -4.511) 6.059 7.469 ( 4.046 0.000 -4.511) 6.059 8.142 ( -0.954 0.000 3.585) 3.710 8.142 ( 0.954 0.000 3.585) 3.710 8.251 ( -2.874 0.000 -5.629) 6.320 8.251 ( 2.874 0.000 -5.629) 6.320 9.193 ( -14.122 0.000 5.265) 15.072 9.193 ( 14.122 0.000 5.265) 15.072 9.353 ( -22.423 0.000 -9.126) 24.209 9.353 ( 22.423 0.000 -9.126) 24.209 10.077 ( -23.881 0.000 11.339) 26.437 10.077 ( 23.881 0.000 11.339) 26.437 10.350 ( -20.468 0.000 -13.897) 24.740 10.350 ( 20.468 0.000 -13.897) 24.740 11.524 ( -15.352 0.000 21.602) 26.502 11.524 ( 15.352 0.000 21.602) 26.502 11.922 ( -11.188 0.000 -12.282) 16.614 11.922 ( 11.188 0.000 -12.282) 16.614 12.712 ( -10.178 0.000 7.181) 12.456 12.712 ( 10.178 0.000 7.181) 12.456 12.981 ( -11.579 0.000 -14.348) 18.437 12.981 ( 11.579 0.000 -14.348) 18.437 13.504 ( -2.905 0.000 5.278) 6.025 13.504 ( 2.905 0.000 5.278) 6.025 13.670 ( -1.128 0.000 -8.512) 8.586 13.670 ( 1.128 0.000 -8.512) 8.586 14.167 ( -5.350 0.000 7.570) 9.269 14.167 ( 5.350 0.000 7.570) 9.269 14.254 ( -3.613 0.000 -0.151) 3.617 14.254 ( 3.613 0.000 -0.151) 3.617 14.614 ( -3.239 0.000 7.437) 8.112 14.614 ( 3.239 0.000 7.437) 8.112 14.793 ( -4.447 0.000 -8.136) 9.272 14.793 ( 4.447 0.000 -8.136) 9.272 15.221 ( -9.884 0.000 1.875) 10.060 15.221 ( 9.884 0.000 1.875) 10.060 15.248 ( -9.848 0.000 -0.637) 9.869 15.248 ( 9.848 0.000 -0.637) 9.869 15.621 ( -8.506 0.000 2.181) 8.781 15.621 ( 8.506 0.000 2.181) 8.781 15.679 ( -8.731 0.000 -2.833) 9.180 15.679 ( 8.731 0.000 -2.833) 9.180 16.171 ( -20.701 0.000 2.868) 20.898 16.171 ( 20.701 0.000 2.868) 20.898 16.237 ( -27.369 0.000 -2.932) 27.525 16.237 ( 27.369 0.000 -2.932) 27.525 16.692 ( -13.858 0.000 2.405) 14.065 16.692 ( 13.858 0.000 2.405) 14.065 16.743 ( -16.909 0.000 -2.061) 17.034 16.743 ( 16.909 0.000 -2.061) 17.034 21.050 ( -1.916 0.000 3.297) 3.814 21.050 ( 1.916 0.000 3.297) 3.814 21.140 ( -2.659 0.000 -4.783) 5.473 21.140 ( 2.659 0.000 -4.783) 5.473 21.824 ( -5.944 0.000 8.943) 10.738 21.824 ( 5.944 0.000 8.943) 10.738 22.037 ( -7.772 0.000 -10.213) 12.834 22.037 ( 7.772 0.000 -10.213) 12.834 22.842 ( -9.589 0.000 9.729) 13.660 22.842 ( 9.589 0.000 9.729) 13.660 23.029 ( -11.004 0.000 -6.966) 13.024 23.029 ( 11.004 0.000 -6.966) 13.024 ======================= Grid point 110 (37/60) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 19.459 20.830) 28.505 1.036 ( 0.000 24.671 23.471) 34.052 1.357 ( 0.000 12.288 -18.109) 21.885 1.570 ( 0.000 13.454 -25.412) 28.754 1.661 ( 0.000 31.198 36.807) 48.250 2.149 ( 0.000 5.578 6.784) 8.782 2.275 ( 0.000 11.187 -2.198) 11.401 2.398 ( 0.000 4.839 11.315) 12.306 2.579 ( 0.000 2.279 -8.103) 8.417 2.597 ( 0.000 17.488 -14.821) 22.924 2.872 ( 0.000 7.174 -1.937) 7.431 2.901 ( 0.000 11.845 -0.153) 11.846 2.931 ( 0.000 5.838 -6.947) 9.075 3.129 ( 0.000 9.808 -27.351) 29.056 3.341 ( 0.000 -9.604 13.135) 16.271 3.361 ( 0.000 -0.939 9.499) 9.545 3.486 ( 0.000 -1.236 -2.820) 3.079 3.633 ( 0.000 5.861 12.439) 13.751 3.639 ( 0.000 -2.393 -16.403) 16.576 4.021 ( 0.000 -4.434 -13.055) 13.787 4.116 ( 0.000 10.269 18.938) 21.543 4.342 ( 0.000 3.176 8.425) 9.004 4.420 ( 0.000 7.452 1.930) 7.698 4.669 ( 0.000 16.796 -25.857) 30.833 5.055 ( 0.000 0.780 3.464) 3.551 5.116 ( 0.000 -0.371 0.894) 0.968 5.248 ( 0.000 2.069 14.997) 15.139 5.285 ( 0.000 3.877 6.681) 7.724 5.742 ( 0.000 4.677 4.865) 6.749 5.864 ( 0.000 -5.534 12.392) 13.572 5.958 ( 0.000 -4.738 4.691) 6.667 6.052 ( 0.000 7.566 -12.940) 14.990 6.406 ( 0.000 -4.280 -0.690) 4.336 6.427 ( 0.000 6.330 -3.901) 7.435 6.473 ( 0.000 -6.711 -7.147) 9.804 6.528 ( 0.000 8.114 -11.942) 14.438 6.741 ( 0.000 2.075 0.413) 2.116 6.788 ( 0.000 1.902 -3.364) 3.865 6.995 ( 0.000 10.224 7.358) 12.596 7.108 ( 0.000 -6.390 2.791) 6.973 7.152 ( 0.000 7.663 -6.002) 9.734 7.161 ( 0.000 -6.107 -1.655) 6.328 7.361 ( 0.000 4.192 8.984) 9.914 7.401 ( 0.000 2.157 3.118) 3.791 7.493 ( 0.000 1.235 -4.748) 4.906 7.613 ( 0.000 7.080 -13.881) 15.582 7.790 ( 0.000 0.341 4.469) 4.482 7.805 ( 0.000 0.936 8.837) 8.886 7.866 ( 0.000 1.547 -2.351) 2.814 7.996 ( 0.000 -0.097 -7.268) 7.269 8.158 ( 0.000 15.143 3.365) 15.513 8.315 ( 0.000 28.307 -13.475) 31.350 8.595 ( 0.000 12.512 8.854) 15.328 8.760 ( 0.000 15.550 -6.397) 16.814 8.955 ( 0.000 -4.221 12.599) 13.287 9.264 ( 0.000 -4.620 -15.145) 15.834 10.144 ( 0.000 -4.809 20.042) 20.611 10.608 ( 0.000 -4.947 -22.864) 23.393 11.409 ( 0.000 -4.146 11.605) 12.323 11.548 ( 0.000 -48.657 66.137) 82.107 11.576 ( 0.000 -4.542 -4.686) 6.526 12.409 ( 0.000 -19.239 -21.854) 29.116 12.605 ( 0.000 1.392 0.380) 1.443 12.611 ( 0.000 -9.628 1.686) 9.775 12.618 ( 0.000 1.873 -0.838) 2.052 12.659 ( 0.000 -7.165 -1.060) 7.243 12.820 ( 0.000 -14.578 3.819) 15.070 12.951 ( 0.000 -7.084 -6.664) 9.726 13.179 ( 0.000 1.711 -1.204) 2.093 13.180 ( 0.000 0.227 6.794) 6.797 13.207 ( 0.000 -1.471 -3.837) 4.109 13.353 ( 0.000 3.471 -7.729) 8.473 13.654 ( 0.000 7.310 10.521) 12.812 13.948 ( 0.000 11.402 -18.625) 21.838 14.079 ( 0.000 -4.589 5.155) 6.901 14.187 ( 0.000 -3.592 -4.909) 6.082 14.642 ( 0.000 6.539 6.572) 9.270 14.693 ( 0.000 9.774 4.062) 10.584 14.736 ( 0.000 -1.645 2.150) 2.707 14.780 ( 0.000 2.621 -2.083) 3.348 15.087 ( 0.000 4.757 -3.579) 5.953 15.124 ( 0.000 1.197 -7.620) 7.713 15.325 ( 0.000 -2.887 4.892) 5.680 15.451 ( 0.000 -0.999 -6.846) 6.919 15.683 ( 0.000 -0.007 5.506) 5.506 15.783 ( 0.000 0.238 -3.466) 3.474 16.010 ( 0.000 6.414 9.627) 11.568 16.251 ( 0.000 7.720 -12.210) 14.446 17.138 ( 0.000 5.631 13.834) 14.936 17.330 ( 0.000 -8.620 6.299) 10.676 17.413 ( 0.000 6.174 -10.746) 12.393 17.492 ( 0.000 -7.833 -8.442) 11.517 18.025 ( 0.000 -4.437 8.515) 9.602 18.212 ( 0.000 -0.211 -9.661) 9.663 18.615 ( 0.000 -2.797 0.203) 2.805 18.622 ( 0.000 -1.935 -0.300) 1.958 20.117 ( 0.000 -13.705 11.261) 17.739 20.256 ( 0.000 -5.971 -3.089) 6.723 20.393 ( 0.000 -0.075 16.978) 16.978 20.863 ( 0.000 -0.594 -26.510) 26.516 20.936 ( 0.000 20.693 1.480) 20.746 20.965 ( 0.000 9.150 -0.871) 9.191 21.391 ( 0.000 7.418 1.954) 7.671 21.511 ( 0.000 13.239 -10.923) 17.163 22.099 ( 0.000 -2.446 29.031) 29.134 22.677 ( 0.000 -3.192 -25.647) 25.844 23.538 ( 0.000 -3.452 14.306) 14.717 23.767 ( 0.000 -3.489 -7.380) 8.163 ======================= Grid point 111 (38/60) ======================= q-point: ( 0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 5.635 19.013 22.239) 29.796 1.171 ( 20.524 13.465 15.859) 29.224 1.510 ( 6.506 9.840 -21.453) 24.483 1.545 ( 6.302 11.596 -19.794) 23.791 2.016 ( 24.851 20.784 25.888) 41.469 2.188 ( 2.466 5.156 10.327) 11.803 2.319 ( 2.375 8.865 -1.727) 9.339 2.388 ( 2.140 12.274 10.606) 16.362 2.546 ( -2.481 1.881 -8.160) 8.734 2.712 ( 3.085 6.557 -9.740) 12.140 2.777 ( 0.480 9.518 0.143) 9.531 2.849 ( -1.141 7.653 -4.820) 9.116 3.054 ( 4.346 6.830 -4.513) 9.269 3.156 ( 1.564 -0.407 -11.257) 11.372 3.368 ( 6.807 3.457 -5.889) 9.642 3.399 ( 2.004 -1.776 1.602) 3.121 3.525 ( 0.665 -5.176 7.765) 9.355 3.609 ( 7.433 -0.528 1.010) 7.520 3.860 ( 9.806 6.515 -6.494) 13.445 3.967 ( -5.895 8.701 19.146) 21.841 4.063 ( 2.679 -2.691 -13.254) 13.787 4.394 ( -2.903 6.781 -6.765) 10.009 4.502 ( 9.601 5.692 6.172) 12.754 4.650 ( 2.107 11.686 -10.390) 15.779 5.037 ( -2.596 2.708 1.774) 4.150 5.091 ( -2.890 -0.500 0.170) 2.938 5.276 ( 0.891 2.286 14.574) 14.779 5.318 ( 5.222 4.913 5.962) 9.324 5.635 ( -7.477 -1.294 2.377) 7.952 5.806 ( -8.856 -6.744 0.340) 11.137 5.873 ( -0.868 -3.321 11.010) 11.533 6.125 ( 2.603 8.442 -6.082) 10.726 6.360 ( -4.308 -0.609 -5.989) 7.402 6.475 ( 2.871 -1.274 -2.097) 3.776 6.503 ( 1.871 -0.367 -4.347) 4.747 6.525 ( -0.337 5.290 -11.473) 12.638 6.846 ( 4.878 -0.074 4.630) 6.725 6.909 ( 7.025 -0.867 -1.323) 7.201 7.014 ( 1.484 3.305 3.848) 5.285 7.091 ( -2.149 2.012 -1.069) 3.132 7.204 ( 8.148 0.093 1.989) 8.388 7.291 ( 8.007 -0.542 -5.269) 9.601 7.340 ( 0.696 3.328 7.250) 8.008 7.481 ( 3.091 2.868 -2.066) 4.696 7.501 ( 5.177 2.054 -0.145) 5.571 7.630 ( 2.484 -2.309 -9.485) 10.073 7.751 ( -2.777 -0.542 5.429) 6.122 7.828 ( 1.120 2.804 3.344) 4.506 7.863 ( -1.029 2.565 0.054) 2.764 7.999 ( -0.343 1.654 -6.897) 7.101 8.178 ( 2.267 14.969 4.238) 15.722 8.398 ( 8.408 22.658 -19.795) 31.240 8.564 ( -2.446 15.069 9.294) 17.872 8.731 ( -2.683 15.764 -6.485) 17.256 8.908 ( -3.627 -1.833 11.468) 12.166 9.201 ( -5.619 -2.837 -14.491) 15.799 10.080 ( -5.788 -4.091 18.771) 20.065 10.513 ( -8.111 -5.522 -19.613) 21.930 11.266 ( -13.825 -18.501 41.349) 47.362 11.395 ( -10.312 -13.154 30.207) 34.522 11.524 ( -5.348 -6.005 0.165) 8.043 12.244 ( -12.748 -15.384 -22.926) 30.410 12.599 ( 0.227 -4.797 0.744) 4.860 12.617 ( -0.880 -6.710 -0.495) 6.786 12.690 ( 4.704 0.949 2.704) 5.509 12.758 ( -2.497 -10.954 2.868) 11.596 12.844 ( 7.193 -6.681 0.404) 9.826 12.956 ( -0.031 -3.689 -4.347) 5.702 12.978 ( -5.575 5.985 0.574) 8.200 13.064 ( -8.498 4.387 -4.629) 10.624 13.325 ( 3.454 -0.151 0.380) 3.478 13.388 ( 0.689 3.940 -3.890) 5.579 13.654 ( -0.974 7.978 4.069) 9.009 13.764 ( -5.365 17.195 -5.956) 18.972 14.139 ( -0.444 0.389 -0.167) 0.614 14.152 ( 3.031 -6.780 -1.259) 7.532 14.483 ( -2.588 2.117 5.795) 6.691 14.543 ( -7.056 5.857 -0.344) 9.176 14.748 ( -1.178 -0.990 5.941) 6.137 14.805 ( 1.645 0.902 4.756) 5.112 15.022 ( -2.607 2.896 -6.598) 7.663 15.054 ( -3.875 -0.038 -10.437) 11.133 15.294 ( -3.838 -2.088 5.139) 6.745 15.410 ( -5.293 -1.510 -4.835) 7.327 15.636 ( -11.745 2.502 6.199) 13.514 15.679 ( -3.016 0.198 2.211) 3.745 15.919 ( -2.994 5.703 2.592) 6.943 16.097 ( -10.823 8.290 -13.006) 18.842 16.818 ( -19.877 3.470 14.975) 25.127 17.096 ( -20.239 2.176 -10.542) 22.924 17.419 ( -0.740 -4.364 3.662) 5.745 17.508 ( -5.516 -4.626 -2.903) 7.763 17.998 ( -6.453 -5.303 4.514) 9.494 18.117 ( -13.332 -3.749 -5.613) 14.943 18.508 ( -10.273 -1.847 0.073) 10.438 18.510 ( -10.272 -2.867 0.026) 10.665 20.271 ( 7.517 -13.161 3.132) 15.476 20.321 ( 4.652 -6.960 0.000) 8.372 20.568 ( 14.895 -2.099 11.682) 19.045 20.918 ( 5.049 3.843 -16.307) 17.498 21.075 ( 9.409 4.749 1.289) 10.618 21.139 ( 14.287 9.425 -6.357) 18.258 21.531 ( 12.195 8.924 6.388) 16.407 21.741 ( 14.976 10.935 -10.512) 21.316 22.196 ( 9.088 -5.015 19.840) 22.391 22.689 ( 0.846 -3.118 -23.570) 23.790 23.508 ( -2.930 -3.150 14.048) 14.692 23.733 ( -3.202 -3.169 -7.311) 8.587 ======================= Grid point 112 (39/60) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 20.965 2.674 6.570) 22.133 1.569 ( 8.511 8.939 -15.338) 19.687 1.681 ( 23.236 3.625 9.992) 25.552 1.878 ( 17.073 4.836 -8.322) 19.599 2.232 ( 2.182 5.028 8.310) 9.955 2.288 ( 1.248 6.676 7.438) 10.073 2.367 ( 3.615 6.797 -2.094) 7.978 2.455 ( -1.530 -0.319 -8.641) 8.782 2.632 ( 0.976 5.703 2.680) 6.376 2.661 ( 3.651 5.240 -0.603) 6.415 2.852 ( 11.080 11.079 3.955) 16.160 3.011 ( 6.908 -3.374 -4.258) 8.788 3.132 ( 3.823 -1.827 11.347) 12.113 3.166 ( 6.871 2.195 2.122) 7.519 3.451 ( 0.071 -4.500 -3.544) 5.729 3.504 ( 0.091 2.366 6.837) 7.235 3.690 ( 13.736 1.663 -1.285) 13.896 3.736 ( 12.326 9.779 -10.456) 18.891 3.904 ( 2.296 3.108 -4.627) 6.028 4.069 ( 1.362 6.017 -5.952) 8.572 4.140 ( 7.801 9.117 0.182) 12.001 4.386 ( 7.772 -0.744 -10.094) 12.761 4.704 ( 8.510 2.395 6.387) 10.906 4.786 ( 8.051 6.644 -1.364) 10.527 4.941 ( -6.463 1.909 1.493) 6.902 4.984 ( -7.152 -2.547 -0.377) 7.601 5.278 ( -2.430 2.241 21.583) 21.834 5.402 ( -0.053 1.933 1.453) 2.418 5.510 ( -2.625 -6.159 -5.334) 8.560 5.632 ( -5.618 -10.253 -6.349) 13.304 5.876 ( 2.053 -1.402 12.857) 13.095 6.150 ( 0.499 10.414 -1.788) 10.578 6.255 ( -5.210 -4.043 -7.592) 10.056 6.470 ( -3.005 -0.322 -13.427) 13.763 6.528 ( 1.156 6.363 2.366) 6.886 6.567 ( 2.849 5.993 -2.337) 7.035 6.883 ( -1.122 -2.393 5.687) 6.271 6.925 ( -1.273 1.792 5.266) 5.706 7.026 ( -0.725 5.296 0.943) 5.428 7.091 ( -0.305 1.071 -5.132) 5.251 7.248 ( -3.866 -1.196 1.822) 4.438 7.301 ( -3.768 1.435 -2.664) 4.833 7.518 ( 6.539 -2.035 6.182) 9.226 7.595 ( 5.668 1.883 1.775) 6.231 7.628 ( 5.044 0.095 1.750) 5.340 7.707 ( 2.129 0.240 3.018) 3.701 7.765 ( 5.108 1.989 -0.948) 5.563 7.816 ( 0.381 5.408 -2.541) 5.988 7.841 ( 0.436 3.354 -1.699) 3.785 7.945 ( -5.139 4.424 -5.611) 8.802 8.272 ( 6.827 7.346 10.028) 14.183 8.482 ( -2.873 12.947 6.317) 14.689 8.656 ( -2.087 9.432 -10.336) 14.147 8.664 ( 9.370 13.118 -15.304) 22.228 8.905 ( 6.960 9.353 0.118) 11.660 9.086 ( -2.057 3.873 -11.048) 11.886 9.927 ( -8.412 -3.030 15.950) 18.285 10.321 ( -9.742 -4.330 -18.641) 21.474 10.969 ( -11.471 -9.119 47.170) 49.394 11.167 ( -12.106 -2.906 13.691) 18.506 11.382 ( -7.664 -4.659 -0.227) 8.972 11.944 ( -13.889 -5.543 -27.874) 31.632 12.463 ( -11.442 -6.425 7.393) 15.062 12.545 ( -5.600 -2.822 2.754) 6.849 12.694 ( -1.260 3.937 3.502) 5.418 12.795 ( 0.393 1.859 4.538) 4.920 12.889 ( 0.273 -3.390 -9.864) 10.434 12.962 ( 5.752 0.092 -6.358) 8.574 13.044 ( 6.165 -8.005 -3.692) 10.758 13.067 ( 6.349 -0.554 -1.017) 6.454 13.364 ( 2.256 0.824 -0.019) 2.401 13.436 ( 3.456 -1.860 -4.727) 6.144 13.691 ( 4.220 2.119 2.513) 5.349 13.782 ( 4.110 4.444 -7.092) 9.324 14.161 ( 3.327 -1.491 6.385) 7.353 14.259 ( 5.067 -4.075 -1.684) 6.717 14.450 ( -1.622 1.524 4.632) 5.139 14.554 ( 5.998 -2.500 -3.266) 7.273 14.709 ( -1.990 -2.053 9.156) 9.592 14.869 ( 5.245 -2.495 6.368) 8.619 14.960 ( -5.068 -1.696 -8.578) 10.107 15.031 ( 2.817 1.944 -6.247) 7.123 15.172 ( -5.636 1.583 3.778) 6.968 15.258 ( -7.961 0.053 -2.540) 8.356 15.405 ( -6.900 3.546 9.341) 12.143 15.600 ( -5.480 3.205 -6.244) 8.905 15.893 ( -1.470 3.191 -2.819) 4.504 15.903 ( -6.085 5.337 -4.940) 9.482 16.418 ( -17.763 3.914 12.884) 22.290 16.648 ( -21.677 2.144 -8.198) 23.275 17.201 ( -19.453 -7.641 2.970) 21.110 17.272 ( -16.634 -3.082 -2.338) 17.078 17.691 ( -23.238 -2.767 2.126) 23.498 17.748 ( -17.885 -3.092 -2.366) 18.304 18.198 ( -19.093 -0.790 0.884) 19.129 18.211 ( -18.104 -2.666 -0.135) 18.300 20.436 ( 9.038 -13.281 1.372) 16.123 20.460 ( 8.780 -9.274 0.040) 12.771 20.855 ( 11.524 0.189 5.545) 12.790 21.035 ( 5.412 4.681 -8.355) 11.001 21.280 ( 9.571 -1.951 2.698) 10.133 21.425 ( 12.436 5.271 -9.474) 16.499 21.802 ( 11.056 7.159 12.002) 17.819 21.978 ( 8.870 11.928 1.945) 14.992 22.418 ( 10.495 -4.035 3.274) 11.711 22.699 ( 0.026 -2.285 -17.986) 18.130 23.415 ( -5.939 -2.354 13.387) 14.834 23.634 ( -6.343 -2.321 -7.156) 9.840 ======================= Grid point 113 (40/60) ======================= q-point: ( 0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 18.183 -3.508 -2.448) 18.680 1.795 ( 14.140 -1.180 -6.979) 15.813 2.067 ( 9.119 5.985 4.484) 11.793 2.135 ( 5.928 4.643 -1.616) 7.701 2.293 ( 0.281 4.956 3.547) 6.101 2.356 ( 11.284 -0.262 6.643) 13.097 2.439 ( 3.598 2.741 -2.462) 5.150 2.451 ( 2.009 -2.891 -1.413) 3.794 2.636 ( 2.063 2.393 -0.931) 3.294 2.733 ( 6.392 2.133 -6.582) 9.420 2.851 ( -8.494 -9.809 10.759) 16.856 3.107 ( 2.758 -8.245 -9.995) 13.247 3.286 ( -6.643 6.254 9.967) 13.512 3.342 ( 7.174 -0.544 2.749) 7.702 3.505 ( 18.408 1.012 4.831) 19.058 3.618 ( 9.167 -1.933 0.162) 9.370 3.910 ( 7.935 3.413 -4.059) 9.544 4.035 ( 10.404 3.329 -0.947) 10.965 4.069 ( 10.211 3.833 -2.493) 11.187 4.111 ( 16.380 10.362 -16.907) 25.721 4.421 ( 12.806 2.959 6.261) 14.558 4.557 ( 3.120 -5.186 -2.694) 6.625 4.713 ( -8.657 -6.607 7.656) 13.312 4.756 ( -9.477 -0.268 3.723) 10.186 4.849 ( -0.099 0.747 -1.646) 1.810 4.942 ( 0.361 1.374 -6.558) 6.710 5.194 ( -2.130 -3.485 9.994) 10.796 5.354 ( -6.443 -7.855 -1.064) 10.215 5.463 ( 3.502 0.438 2.534) 4.345 5.642 ( 3.319 -2.704 -6.626) 7.889 5.981 ( 7.088 -1.670 8.731) 11.369 6.115 ( -4.642 2.761 6.411) 8.383 6.209 ( 2.006 2.991 -10.109) 10.732 6.403 ( -2.622 -0.654 -15.050) 15.291 6.532 ( -0.218 6.926 6.516) 9.512 6.615 ( 1.519 5.810 -2.006) 6.331 6.816 ( -4.197 -1.097 6.940) 8.184 6.926 ( 0.693 -0.614 2.586) 2.746 7.009 ( -4.430 6.892 -1.042) 8.259 7.052 ( 0.390 7.551 0.771) 7.600 7.148 ( -4.767 -2.413 -3.056) 6.155 7.188 ( -5.892 2.983 -4.180) 7.816 7.475 ( -5.639 2.249 8.032) 10.068 7.574 ( -7.814 6.264 2.799) 10.398 7.610 ( -3.321 1.970 6.156) 7.267 7.704 ( -6.232 7.898 -2.291) 10.318 7.744 ( -3.837 2.575 -2.870) 5.440 7.751 ( -8.205 5.599 -2.758) 10.309 7.998 ( 8.180 3.166 -1.280) 8.864 8.045 ( 13.543 2.200 -4.408) 14.411 8.367 ( -3.804 11.216 10.658) 15.933 8.470 ( 8.890 4.121 11.708) 15.267 8.596 ( -2.376 15.888 -8.549) 18.198 8.823 ( 5.910 -0.881 -17.791) 18.767 9.127 ( 17.166 9.148 6.305) 20.448 9.350 ( 22.016 7.505 -16.217) 28.356 9.736 ( -9.753 -2.647 12.785) 16.296 10.100 ( -11.898 -1.261 -20.324) 23.584 10.808 ( -6.218 -4.704 27.796) 28.869 10.887 ( -13.952 -1.859 12.782) 19.013 11.236 ( -5.100 -4.594 7.426) 10.113 11.745 ( -4.502 0.119 -24.394) 24.806 12.195 ( -14.644 -5.894 10.958) 19.216 12.392 ( -8.715 0.575 1.452) 8.854 12.668 ( -6.572 4.818 -7.624) 11.160 12.705 ( 2.176 5.835 -4.250) 7.540 13.020 ( 6.462 -9.878 2.117) 11.993 13.100 ( 6.227 -4.040 -0.265) 7.427 13.163 ( 5.715 -7.124 2.678) 9.517 13.264 ( 11.146 -4.295 -1.981) 12.108 13.376 ( -2.864 -3.264 -5.930) 7.350 13.458 ( 0.620 -2.114 -7.852) 8.155 13.814 ( 7.036 -4.061 6.157) 10.194 13.921 ( 8.428 -1.381 -5.163) 9.980 14.222 ( 1.598 -3.150 6.517) 7.413 14.311 ( -0.625 -0.855 -1.769) 2.062 14.454 ( 1.341 -2.144 8.630) 8.993 14.654 ( 2.463 -5.101 -3.555) 6.687 14.678 ( -1.334 -5.090 6.235) 8.159 14.878 ( -1.691 -4.651 -5.200) 7.178 14.998 ( 4.140 -4.257 0.414) 5.953 15.070 ( -2.810 -0.296 -3.699) 4.655 15.140 ( 8.338 2.510 7.239) 11.323 15.272 ( 11.634 5.317 -2.573) 13.048 15.348 ( 1.472 2.070 4.080) 4.806 15.496 ( -2.867 6.453 -8.642) 11.160 15.784 ( -5.949 1.714 1.822) 6.454 15.849 ( -4.857 4.271 -3.376) 7.296 16.110 ( -11.084 3.405 7.361) 13.735 16.233 ( -17.582 2.050 -3.212) 17.990 16.753 ( -20.591 -9.088 1.586) 22.563 16.830 ( -23.137 -6.673 -5.508) 24.702 17.191 ( -23.434 2.931 7.951) 24.920 17.336 ( -21.043 0.553 -5.401) 21.732 17.734 ( -24.874 1.501 2.350) 25.030 17.776 ( -23.192 -0.337 -1.324) 23.232 20.636 ( 9.802 -14.837 1.539) 17.849 20.670 ( 10.626 -9.921 -0.914) 14.566 21.031 ( 5.204 -0.968 1.138) 5.414 21.122 ( 2.646 3.009 -5.277) 6.626 21.469 ( 8.700 -3.549 6.143) 11.226 21.659 ( 10.298 3.683 -9.875) 14.735 21.934 ( 2.185 2.301 13.761) 14.122 22.141 ( 5.935 10.615 -0.683) 12.181 22.603 ( 6.575 -2.483 -2.453) 7.444 22.710 ( 2.665 1.574 -9.368) 9.866 23.263 ( -8.585 -1.173 12.616) 15.305 23.473 ( -8.929 -1.072 -7.039) 11.420 ======================= Grid point 114 (41/60) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 8.531 -3.518 2.212) 9.489 2.083 ( 8.369 -1.948 -5.169) 10.027 2.190 ( 4.806 1.835 4.686) 6.959 2.224 ( 2.195 1.979 0.254) 2.966 2.265 ( 3.830 -3.623 -1.944) 5.619 2.401 ( -2.607 3.774 -9.787) 10.809 2.528 ( 5.928 6.285 6.688) 10.925 2.592 ( -7.542 -6.177 6.831) 11.904 2.658 ( 4.514 -1.026 -1.368) 4.827 2.722 ( 0.756 -2.507 -4.060) 4.831 2.901 ( 1.525 2.071 5.953) 6.485 3.098 ( -5.253 0.250 -9.799) 11.121 3.201 ( 9.454 -4.036 17.179) 20.019 3.549 ( 13.598 -4.627 -12.033) 18.738 3.801 ( 9.702 -9.167 -2.705) 13.619 3.830 ( 11.525 -12.489 -4.240) 17.515 4.130 ( 1.950 1.775 1.809) 3.198 4.166 ( -6.073 -3.229 0.556) 6.900 4.304 ( 11.595 -1.784 1.203) 11.793 4.317 ( 4.879 -5.160 0.901) 7.158 4.516 ( 1.924 -1.325 0.888) 2.499 4.538 ( -4.254 -5.484 -0.179) 6.943 4.575 ( -0.256 -1.600 9.965) 10.096 4.673 ( 1.090 1.095 1.984) 2.514 4.842 ( -1.388 3.629 -4.169) 5.699 4.934 ( 4.975 2.616 -11.358) 12.673 5.135 ( -6.960 -0.790 4.852) 8.521 5.243 ( -4.264 -3.856 -3.609) 6.788 5.597 ( 8.327 -0.131 8.369) 11.807 5.757 ( 7.554 -2.469 -2.959) 8.480 5.984 ( -6.017 0.052 3.535) 6.979 6.093 ( -0.815 -5.702 -0.361) 5.771 6.282 ( 5.578 1.844 -0.914) 5.946 6.408 ( 3.741 -0.577 -11.601) 12.203 6.537 ( -0.014 1.361 7.364) 7.489 6.616 ( -1.798 1.844 -1.096) 2.799 6.734 ( -3.159 4.942 5.691) 8.173 6.887 ( -5.588 5.377 3.917) 8.688 6.927 ( -1.164 -1.018 -4.982) 5.216 7.045 ( -3.459 2.951 -6.917) 8.277 7.078 ( 0.437 7.947 1.500) 8.099 7.134 ( 1.725 6.519 -2.022) 7.040 7.370 ( -3.748 11.186 6.412) 13.427 7.386 ( -9.235 7.661 2.423) 12.241 7.473 ( -8.594 5.152 2.117) 10.241 7.567 ( -6.382 9.633 5.771) 12.916 7.581 ( -3.601 9.573 -5.834) 11.775 7.675 ( -4.584 7.422 -2.969) 9.215 8.122 ( 3.871 3.218 3.376) 6.062 8.220 ( 2.538 5.125 1.779) 5.989 8.281 ( -0.949 8.591 0.405) 8.653 8.473 ( -5.569 13.542 -8.941) 17.156 8.824 ( 18.206 -1.503 6.478) 19.383 9.027 ( 14.429 6.970 -11.035) 19.457 9.457 ( -9.291 -1.779 10.441) 14.089 9.596 ( 20.267 4.759 12.766) 24.421 9.737 ( -5.723 -2.914 -16.543) 17.746 9.934 ( 12.828 4.578 -18.812) 23.225 10.513 ( -18.769 -2.331 11.907) 22.349 10.673 ( -11.855 -2.023 -0.340) 12.031 11.250 ( 7.362 -3.092 22.362) 23.745 11.755 ( 4.978 1.064 -19.417) 20.073 11.856 ( -17.366 -2.954 15.339) 23.358 12.174 ( -11.999 -0.109 -8.797) 14.878 12.606 ( 1.503 3.992 2.756) 5.078 12.796 ( 5.276 2.355 -6.514) 8.707 12.949 ( -8.440 -0.557 5.218) 9.939 13.221 ( -9.339 -0.969 -12.909) 15.962 13.285 ( 9.460 -7.119 7.620) 14.080 13.336 ( 8.742 -10.661 1.222) 13.841 13.488 ( 8.394 -7.936 -6.566) 13.287 13.535 ( 4.870 -4.579 -8.838) 11.082 13.947 ( 5.401 -8.974 9.762) 14.318 14.084 ( 6.576 -5.650 -3.529) 9.361 14.197 ( -4.781 -6.660 5.453) 9.846 14.263 ( -2.771 -4.225 0.749) 5.108 14.481 ( 1.175 -4.295 8.609) 9.693 14.590 ( -4.780 -8.734 11.434) 15.161 14.712 ( 2.209 -1.829 -12.166) 12.500 14.839 ( -3.076 -3.920 -10.999) 12.075 15.090 ( 6.739 2.722 3.110) 7.905 15.122 ( 7.773 0.645 -0.814) 7.842 15.315 ( 5.038 0.383 6.908) 8.559 15.413 ( 1.782 0.122 0.691) 1.916 15.559 ( 4.997 1.859 -1.782) 5.622 15.609 ( 10.517 1.982 -3.048) 11.128 15.678 ( 2.985 0.791 -0.195) 3.094 15.682 ( -5.954 1.584 -0.568) 6.188 15.910 ( -8.040 0.692 2.090) 8.336 15.956 ( -7.563 1.691 -1.303) 7.859 16.419 ( -11.103 -11.315 0.402) 15.858 16.451 ( -13.054 -5.400 -2.914) 14.424 16.780 ( -12.584 8.355 7.191) 16.730 16.924 ( -16.304 6.765 -6.012) 18.648 17.203 ( -24.597 5.792 3.927) 25.573 17.275 ( -23.838 3.885 -2.531) 24.284 20.828 ( 8.237 -13.597 2.655) 16.118 20.875 ( 8.370 -8.265 -0.315) 11.767 21.078 ( -0.224 -5.813 -1.912) 6.124 21.138 ( -1.166 -0.264 -5.476) 5.605 21.644 ( 8.020 -3.190 9.334) 12.713 21.845 ( 5.403 -0.168 -0.566) 5.436 21.938 ( 0.829 2.607 2.734) 3.868 22.181 ( -2.398 4.561 -9.424) 10.741 22.704 ( 5.574 0.924 4.530) 7.242 22.848 ( 8.937 3.114 -6.279) 11.358 23.067 ( -9.927 0.457 11.703) 15.353 23.270 ( -10.347 0.504 -7.009) 12.507 ======================= Grid point 115 (42/60) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -4.028 -1.406 5.392) 6.876 2.114 ( 4.028 -1.406 5.392) 6.876 2.246 ( -4.144 1.394 -5.946) 7.380 2.246 ( 4.144 1.394 -5.946) 7.380 2.379 ( -9.000 -3.673 4.255) 10.611 2.379 ( 9.000 -3.673 4.255) 10.611 2.519 ( -9.613 -7.224 -7.157) 13.994 2.519 ( 9.613 -7.224 -7.157) 13.994 2.729 ( -8.993 6.501 9.307) 14.483 2.729 ( 8.993 6.501 9.307) 14.483 2.923 ( -9.088 7.619 -7.889) 14.244 2.923 ( 9.088 7.619 -7.889) 14.244 3.616 ( -21.539 -14.847 11.998) 28.780 3.616 ( 21.539 -14.847 11.998) 28.780 3.862 ( -9.328 -7.530 -9.624) 15.373 3.862 ( 9.328 -7.530 -9.624) 15.373 4.178 ( -5.423 -11.280 0.520) 12.526 4.178 ( 5.423 -11.280 0.520) 12.526 4.263 ( -6.696 -9.757 -5.582) 13.084 4.263 ( 6.696 -9.757 -5.582) 13.084 4.552 ( -4.173 -1.481 7.018) 8.299 4.552 ( 4.173 -1.481 7.018) 8.299 4.682 ( -5.521 4.953 -5.018) 8.955 4.682 ( 5.521 4.953 -5.018) 8.955 4.915 ( -12.312 4.651 9.117) 16.011 4.915 ( 12.312 4.651 9.117) 16.011 5.113 ( -8.506 1.036 -8.901) 12.355 5.113 ( 8.506 1.036 -8.901) 12.355 5.779 ( -7.874 -2.732 9.859) 12.910 5.779 ( 7.874 -2.732 9.859) 12.910 5.983 ( -7.413 -3.660 -7.776) 11.350 5.983 ( 7.413 -3.660 -7.776) 11.350 6.430 ( -6.744 -3.602 4.101) 8.676 6.430 ( 6.744 -3.602 4.101) 8.676 6.543 ( -5.243 1.776 -5.293) 7.659 6.543 ( 5.243 1.776 -5.293) 7.659 6.752 ( -5.687 1.984 8.356) 10.301 6.752 ( 5.687 1.984 8.356) 10.301 6.960 ( -3.715 7.470 -10.018) 13.037 6.960 ( 3.715 7.470 -10.018) 13.037 7.179 ( -3.908 6.510 2.785) 8.088 7.179 ( 3.908 6.510 2.785) 8.088 7.239 ( -1.628 9.306 -2.138) 9.686 7.239 ( 1.628 9.306 -2.138) 9.686 7.452 ( -4.441 11.747 8.196) 14.996 7.452 ( 4.441 11.747 8.196) 14.996 7.583 ( -3.252 10.387 -3.834) 11.540 7.583 ( 3.252 10.387 -3.834) 11.540 8.183 ( -2.577 5.282 6.599) 8.837 8.183 ( 2.577 5.282 6.599) 8.837 8.358 ( -5.202 9.660 -8.562) 13.918 8.358 ( 5.202 9.660 -8.562) 13.918 9.171 ( -14.937 -1.469 8.256) 17.130 9.171 ( 14.937 -1.469 8.256) 17.130 9.397 ( -18.616 3.706 -12.206) 22.567 9.397 ( 18.616 3.706 -12.206) 22.567 10.080 ( -22.245 0.196 11.694) 25.132 10.080 ( 22.245 0.196 11.694) 25.132 10.345 ( -18.940 -0.825 -12.742) 22.842 10.345 ( 18.940 -0.825 -12.742) 22.842 11.503 ( -15.598 -1.825 21.134) 26.330 11.503 ( 15.598 -1.825 21.134) 26.330 11.927 ( -10.868 0.477 -15.337) 18.804 11.927 ( 10.868 0.477 -15.337) 18.804 12.715 ( -8.084 0.759 9.751) 12.689 12.715 ( 8.084 0.759 9.751) 12.689 13.006 ( -9.837 2.062 -14.118) 17.331 13.006 ( 9.837 2.062 -14.118) 17.331 13.428 ( -1.840 -7.733 4.421) 9.096 13.428 ( 1.840 -7.733 4.421) 9.096 13.585 ( -0.785 -8.426 -8.163) 11.758 13.585 ( 0.785 -8.426 -8.163) 11.758 14.062 ( -6.481 -11.169 9.599) 16.090 14.062 ( 6.481 -11.169 9.599) 16.090 14.194 ( -4.227 -6.535 -2.080) 8.056 14.194 ( 4.227 -6.535 -2.080) 8.056 14.512 ( -2.316 -6.483 10.200) 12.306 14.512 ( 2.316 -6.483 10.200) 12.306 14.769 ( -3.260 -1.604 -13.043) 13.539 14.769 ( 3.260 -1.604 -13.043) 13.539 15.253 ( -7.809 4.514 6.357) 11.034 15.253 ( 7.809 4.514 6.357) 11.034 15.353 ( -11.703 2.964 -3.187) 12.486 15.353 ( 11.703 2.964 -3.187) 12.486 15.580 ( -8.169 -4.233 2.963) 9.666 15.580 ( 8.169 -4.233 2.963) 9.666 15.643 ( -6.714 -2.151 -2.491) 7.478 15.643 ( 6.714 -2.151 -2.491) 7.478 16.120 ( -14.538 -2.674 0.947) 14.812 16.120 ( 14.538 -2.674 0.947) 14.812 16.153 ( -15.575 -5.022 -1.928) 16.478 16.153 ( 15.575 -5.022 -1.928) 16.478 16.784 ( -8.821 8.446 4.118) 12.888 16.784 ( 8.821 8.446 4.118) 12.888 16.871 ( -9.231 9.906 -3.455) 13.974 16.871 ( 9.231 9.906 -3.455) 13.974 20.955 ( -2.615 -9.203 4.452) 10.552 20.955 ( 2.615 -9.203 4.452) 10.552 21.084 ( -2.855 -5.769 -7.148) 9.619 21.084 ( 2.855 -5.769 -7.148) 9.619 21.795 ( -6.152 -2.502 12.081) 13.786 21.795 ( 6.152 -2.502 12.081) 13.786 22.068 ( -7.510 2.629 -12.710) 14.995 22.068 ( 7.510 2.629 -12.710) 14.995 22.861 ( -9.099 1.791 10.288) 13.851 22.861 ( 9.099 1.791 10.288) 13.851 23.053 ( -10.234 2.186 -6.957) 12.567 23.053 ( 10.234 2.187 -6.957) 12.567 ======================= Grid point 121 (43/60) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 22.263 9.792) 24.321 1.543 ( 0.000 25.837 13.199) 29.013 1.587 ( 0.000 12.228 -15.768) 19.954 1.886 ( 0.000 17.960 -18.087) 25.489 2.220 ( 0.000 13.764 13.293) 19.135 2.398 ( 0.000 19.717 2.052) 19.824 2.520 ( 0.000 7.211 8.387) 11.061 2.584 ( 0.000 27.693 15.770) 31.869 2.611 ( 0.000 0.892 -2.624) 2.771 2.934 ( 0.000 11.790 -0.085) 11.791 2.991 ( 0.000 -5.057 7.945) 9.418 3.102 ( 0.000 12.288 -7.724) 14.513 3.147 ( 0.000 0.810 -2.434) 2.565 3.196 ( 0.000 3.007 2.744) 4.071 3.262 ( 0.000 16.866 -14.680) 22.360 3.359 ( 0.000 -8.463 -6.483) 10.661 3.538 ( 0.000 19.471 -8.174) 21.117 3.648 ( 0.000 6.039 -13.577) 14.859 3.853 ( 0.000 14.781 6.543) 16.164 4.065 ( 0.000 10.508 -11.809) 15.808 4.361 ( 0.000 11.589 25.426) 27.942 4.401 ( 0.000 2.185 10.105) 10.339 4.579 ( 0.000 7.426 -4.530) 8.699 4.931 ( 0.000 8.571 -27.285) 28.599 5.051 ( 0.000 -1.709 3.405) 3.810 5.127 ( 0.000 1.260 -0.134) 1.267 5.315 ( 0.000 5.729 17.646) 18.553 5.429 ( 0.000 10.544 4.166) 11.337 5.701 ( 0.000 -11.683 12.236) 16.917 5.844 ( 0.000 -6.202 4.114) 7.442 5.881 ( 0.000 10.401 4.427) 11.304 6.216 ( 0.000 8.392 -20.521) 22.170 6.250 ( 0.000 -11.028 -1.820) 11.177 6.325 ( 0.000 -8.287 -5.122) 9.742 6.606 ( 0.000 10.468 0.890) 10.506 6.710 ( 0.000 9.318 -6.754) 11.508 6.773 ( 0.000 -1.149 3.023) 3.234 6.821 ( 0.000 0.885 -0.811) 1.200 7.014 ( 0.000 -1.132 -0.008) 1.132 7.040 ( 0.000 -6.149 -2.025) 6.474 7.177 ( 0.000 8.427 6.559) 10.679 7.284 ( 0.000 4.924 -1.799) 5.242 7.372 ( 0.000 -5.689 1.700) 5.937 7.453 ( 0.000 -4.999 -5.584) 7.495 7.459 ( 0.000 6.069 14.150) 15.397 7.723 ( 0.000 5.794 -6.728) 8.879 7.833 ( 0.000 2.945 -0.109) 2.947 7.835 ( 0.000 4.144 6.919) 8.065 7.933 ( 0.000 5.033 -2.236) 5.507 7.946 ( 0.000 -1.851 -8.652) 8.848 8.520 ( 0.000 18.677 8.345) 20.456 8.769 ( 0.000 19.244 -12.908) 23.172 8.833 ( 0.000 -8.409 11.647) 14.366 9.116 ( 0.000 36.954 -2.432) 37.034 9.131 ( 0.000 -9.313 -14.821) 17.504 9.202 ( 0.000 29.548 -5.402) 30.038 10.007 ( 0.000 -9.320 19.425) 21.545 10.463 ( 0.000 -10.102 -22.521) 24.682 11.033 ( 0.000 -9.066 59.794) 60.477 11.289 ( 0.000 -8.308 11.149) 13.905 11.446 ( 0.000 -9.014 -4.086) 9.897 12.056 ( 0.000 -14.616 -35.573) 38.458 12.385 ( 0.000 -13.215 5.072) 14.155 12.490 ( 0.000 -13.411 -2.889) 13.718 12.506 ( 0.000 -12.408 9.506) 15.631 12.605 ( 0.000 -2.095 2.026) 2.915 12.647 ( 0.000 0.215 -2.032) 2.044 12.767 ( 0.000 -11.618 -12.069) 16.752 13.197 ( 0.000 1.411 2.891) 3.217 13.221 ( 0.000 4.078 1.342) 4.293 13.292 ( 0.000 6.749 -3.922) 7.806 13.382 ( 0.000 0.061 -12.077) 12.077 13.720 ( 0.000 0.574 13.579) 13.591 13.991 ( 0.000 -3.309 -11.201) 11.679 13.994 ( 0.000 -4.179 8.744) 9.691 14.103 ( 0.000 -4.685 -0.451) 4.707 14.677 ( 0.000 -3.905 5.955) 7.121 14.712 ( 0.000 0.915 9.817) 9.859 14.828 ( 0.000 1.531 -7.899) 8.046 14.932 ( 0.000 10.442 -6.775) 12.447 15.168 ( 0.000 7.428 0.819) 7.473 15.266 ( 0.000 12.448 -5.239) 13.506 15.293 ( 0.000 0.769 6.777) 6.820 15.439 ( 0.000 0.753 -6.586) 6.629 15.689 ( 0.000 0.772 5.671) 5.724 15.809 ( 0.000 2.571 -5.255) 5.851 16.175 ( 0.000 10.563 11.194) 15.391 16.445 ( 0.000 11.966 -13.562) 18.086 17.102 ( 0.000 -14.467 7.221) 16.169 17.282 ( 0.000 -13.790 -9.084) 16.513 17.287 ( 0.000 9.536 14.754) 17.567 17.578 ( 0.000 10.650 -11.454) 15.640 17.864 ( 0.000 -12.580 10.488) 16.379 18.095 ( 0.000 -11.655 -10.696) 15.820 18.511 ( 0.000 -7.928 3.156) 8.533 18.580 ( 0.000 -3.095 -3.270) 4.502 19.958 ( 0.000 -3.618 13.476) 13.953 20.240 ( 0.000 2.849 -12.035) 12.368 20.382 ( 0.000 -1.352 16.639) 16.694 20.836 ( 0.000 -2.419 -25.373) 25.489 21.092 ( 0.000 6.517 10.397) 12.270 21.301 ( 0.000 16.509 -8.313) 18.484 21.650 ( 0.000 19.351 5.685) 20.168 21.800 ( 0.000 17.672 -7.982) 19.391 22.024 ( 0.000 -5.486 27.818) 28.354 22.581 ( 0.000 -6.828 -24.871) 25.791 23.432 ( 0.000 -7.786 14.052) 16.064 23.657 ( 0.000 -8.140 -7.292) 10.928 ======================= Grid point 122 (44/60) ======================= q-point: ( 0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.625 19.970 10.840) 23.189 1.532 ( 4.488 24.645 14.096) 28.744 1.687 ( 8.687 9.511 -14.604) 19.473 1.865 ( -0.844 19.035 -15.851) 24.785 2.298 ( 5.878 8.229 10.346) 14.467 2.391 ( -0.451 12.481 8.134) 14.905 2.496 ( 0.297 7.663 -2.931) 8.209 2.564 ( -4.124 1.664 -3.442) 5.623 2.736 ( 7.586 20.505 8.010) 23.284 2.868 ( -3.821 5.049 -1.430) 6.492 2.957 ( -3.822 5.015 1.769) 6.549 3.022 ( -4.089 1.722 -3.218) 5.481 3.132 ( -1.274 14.569 5.587) 15.656 3.216 ( 0.474 5.015 -3.361) 6.056 3.321 ( 4.877 -4.445 0.927) 6.663 3.414 ( 5.095 1.821 -5.497) 7.713 3.554 ( -0.416 4.662 -2.928) 5.521 3.720 ( 14.205 19.330 -16.405) 29.061 4.047 ( 10.463 11.525 2.486) 15.763 4.107 ( -0.958 11.215 1.686) 11.381 4.202 ( 0.084 10.507 6.969) 12.608 4.504 ( -2.133 3.761 -1.167) 4.479 4.615 ( 4.567 4.182 0.785) 6.242 4.836 ( -3.408 5.742 -10.850) 12.740 5.045 ( -3.023 -2.929 3.076) 5.214 5.103 ( -2.703 2.530 -2.119) 4.266 5.344 ( 0.268 3.950 15.944) 16.428 5.453 ( 2.961 7.684 2.105) 8.500 5.552 ( -11.382 -6.951 4.623) 14.115 5.683 ( -11.071 -4.702 -1.980) 12.190 5.882 ( 0.490 5.347 12.471) 13.578 6.244 ( -1.327 -1.725 -17.298) 17.434 6.307 ( 3.705 0.919 -2.209) 4.410 6.408 ( 5.614 -4.345 -7.530) 10.348 6.591 ( 1.310 8.265 2.462) 8.723 6.668 ( -0.982 7.625 -3.782) 8.568 6.810 ( 0.759 -4.208 3.528) 5.543 6.893 ( 3.769 -2.287 -2.473) 5.055 7.061 ( 2.901 2.301 3.071) 4.811 7.078 ( 1.450 -1.713 0.968) 2.444 7.252 ( 7.270 4.249 2.766) 8.864 7.323 ( 5.634 1.914 -1.438) 6.122 7.424 ( 0.105 0.779 6.649) 6.696 7.447 ( 4.941 -2.289 3.313) 6.374 7.501 ( 3.347 1.128 -2.653) 4.417 7.686 ( -2.026 6.343 -10.756) 12.650 7.801 ( -0.164 5.552 4.989) 7.466 7.885 ( 2.782 2.596 2.155) 4.373 7.919 ( 1.051 3.268 0.711) 3.506 8.029 ( 3.457 3.576 -5.237) 7.222 8.475 ( -3.781 12.966 6.681) 15.068 8.706 ( -4.656 10.194 -11.824) 16.292 8.847 ( 0.097 1.361 9.857) 9.951 9.059 ( -2.822 10.543 -7.104) 13.022 9.180 ( 1.892 27.526 -4.547) 27.963 9.210 ( 1.832 22.033 -10.163) 24.333 9.962 ( -4.144 -7.966 18.197) 20.292 10.382 ( -6.705 -7.898 -17.994) 20.764 10.976 ( -5.155 -6.537 49.219) 49.918 11.244 ( -4.895 -7.949 13.079) 16.069 11.396 ( -4.555 -8.247 -3.027) 9.895 11.974 ( -6.306 -11.097 -32.009) 34.460 12.380 ( -2.176 -15.130 5.132) 16.124 12.447 ( -2.621 -12.516 -0.961) 12.824 12.535 ( 2.767 -8.635 2.620) 9.439 12.675 ( 2.128 -4.571 -2.728) 5.732 12.709 ( 7.179 -5.871 3.262) 9.831 12.815 ( 5.390 -7.723 -8.534) 12.709 13.125 ( -3.445 6.386 -0.737) 7.293 13.173 ( -5.432 4.746 -2.871) 7.764 13.340 ( 4.139 2.855 0.086) 5.029 13.429 ( 1.792 0.722 -7.833) 8.068 13.730 ( 0.207 0.703 10.179) 10.205 13.911 ( -5.931 -0.758 -5.104) 7.862 14.034 ( 3.425 -5.229 5.462) 8.301 14.144 ( 2.091 -2.015 -4.758) 5.574 14.637 ( -9.415 7.481 6.429) 13.636 14.660 ( -6.959 6.777 3.980) 10.498 14.697 ( -5.450 0.191 9.198) 10.693 14.853 ( -1.699 4.358 -1.669) 4.967 15.055 ( -5.148 0.362 -8.109) 9.612 15.099 ( -8.708 5.822 -9.360) 14.047 15.297 ( -1.972 3.196 4.687) 6.006 15.408 ( -3.907 2.137 -4.951) 6.659 15.687 ( -0.052 1.841 3.443) 3.905 15.716 ( -8.311 4.263 1.967) 9.545 16.071 ( -6.839 9.851 6.601) 13.690 16.291 ( -12.173 11.464 -12.890) 21.113 16.847 ( -17.872 -3.105 11.826) 21.655 17.071 ( -17.180 -6.700 -8.440) 20.280 17.323 ( -4.595 -3.674 7.392) 9.448 17.486 ( -7.429 3.841 -4.719) 9.603 17.829 ( -6.243 -11.899 4.675) 14.228 17.969 ( -12.582 -11.475 -6.339) 18.171 18.405 ( -9.877 -7.764 2.836) 12.879 18.473 ( -10.034 -2.848 -3.189) 10.907 20.066 ( 6.959 -6.686 7.914) 12.480 20.246 ( 1.146 -0.989 -5.435) 5.642 20.530 ( 12.243 -2.145 10.796) 16.463 20.921 ( 7.208 -2.844 -22.710) 23.996 21.156 ( 5.352 5.655 11.384) 13.792 21.397 ( 7.877 14.174 -10.099) 19.103 21.784 ( 10.186 15.978 9.329) 21.121 21.987 ( 13.875 15.032 -7.817) 21.899 22.095 ( 7.949 -4.881 22.339) 24.208 22.596 ( 1.352 -6.414 -23.059) 23.973 23.411 ( -2.036 -7.052 13.837) 15.663 23.634 ( -2.297 -7.418 -7.176) 10.573 ======================= Grid point 123 (45/60) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 5.296 14.440 13.052) 20.172 1.784 ( 8.229 8.618 -4.952) 12.904 1.821 ( 10.141 13.897 -1.750) 17.293 1.993 ( 13.552 8.543 -6.617) 17.332 2.363 ( -0.764 6.770 3.094) 7.483 2.423 ( 2.913 6.247 7.863) 10.456 2.438 ( -5.541 -0.602 -3.725) 6.703 2.532 ( 1.565 8.412 -3.128) 9.110 2.750 ( -5.739 6.677 0.853) 8.845 2.794 ( -1.681 4.834 -0.190) 5.122 2.887 ( -3.979 -2.508 -2.974) 5.564 2.975 ( -1.211 -2.075 -5.050) 5.593 3.137 ( 2.214 6.065 3.826) 7.505 3.200 ( 1.118 -0.131 -3.559) 3.733 3.480 ( 5.041 -3.562 3.119) 6.915 3.534 ( 8.262 -0.274 1.253) 8.361 3.721 ( 15.141 14.922 10.775) 23.833 3.951 ( -4.896 2.593 13.424) 14.522 4.053 ( 15.934 18.299 -18.252) 30.362 4.237 ( -0.650 10.104 -5.170) 11.368 4.346 ( 2.562 7.588 -3.906) 8.911 4.420 ( 8.016 6.099 -6.582) 12.032 4.686 ( -1.051 -4.729 3.746) 6.124 4.789 ( -4.209 -8.985 -2.246) 10.173 4.975 ( -10.306 -1.255 2.024) 10.577 5.000 ( 0.927 6.427 0.302) 6.500 5.222 ( -9.522 -5.705 9.173) 14.400 5.351 ( -7.193 -6.456 -3.182) 10.176 5.496 ( -0.230 4.495 4.700) 6.507 5.577 ( 2.865 5.128 -1.055) 5.968 5.913 ( 2.583 5.087 11.400) 12.748 6.174 ( -4.532 -4.010 -6.990) 9.245 6.351 ( 0.800 9.426 -6.777) 11.637 6.446 ( -1.076 -1.559 -8.752) 8.954 6.665 ( 0.897 6.734 2.617) 7.280 6.699 ( 4.499 6.610 -0.536) 8.014 6.799 ( -0.633 -4.739 5.343) 7.170 6.904 ( -1.429 -3.631 -0.946) 4.015 7.088 ( 1.056 0.349 2.759) 2.975 7.142 ( 4.265 5.523 -3.573) 7.840 7.298 ( -4.212 4.527 3.527) 7.119 7.360 ( -1.960 2.109 -2.018) 3.516 7.546 ( 3.424 6.394 7.651) 10.543 7.579 ( 7.329 -1.277 0.878) 7.491 7.619 ( 10.194 -1.086 -0.145) 10.252 7.735 ( 4.593 2.520 -5.584) 7.657 7.857 ( 6.363 7.593 3.868) 10.635 7.912 ( -3.114 2.820 4.024) 5.817 7.952 ( 4.350 6.554 -2.284) 8.191 8.053 ( -0.875 7.396 -4.927) 8.930 8.413 ( -0.623 7.183 5.706) 9.195 8.649 ( 1.642 -0.120 -14.930) 15.020 8.801 ( -4.454 13.284 9.600) 16.984 9.018 ( -2.182 10.037 -9.458) 13.962 9.214 ( 3.975 26.596 1.432) 26.929 9.319 ( 7.985 20.865 -10.769) 24.800 9.844 ( -7.045 -5.123 16.109) 18.314 10.230 ( -7.421 -4.948 -17.747) 19.862 10.847 ( -6.371 -3.107 37.825) 38.484 11.079 ( -10.511 -5.852 12.586) 17.411 11.271 ( -6.893 -6.433 0.807) 9.463 11.839 ( -6.032 -4.384 -31.858) 32.719 12.257 ( -8.482 -13.449 7.817) 17.718 12.410 ( -2.224 -10.095 -4.260) 11.180 12.623 ( 5.786 -8.131 0.754) 10.008 12.719 ( 2.802 -7.693 -5.756) 10.008 12.847 ( 4.712 -8.877 8.513) 13.171 12.931 ( 1.920 0.070 2.597) 3.230 13.070 ( -1.844 4.856 -4.260) 6.717 13.095 ( 1.159 6.547 -8.181) 10.542 13.383 ( -0.992 2.082 -1.147) 2.576 13.432 ( -0.668 0.219 -4.649) 4.702 13.710 ( -1.293 -0.422 5.256) 5.430 13.811 ( -1.712 -1.164 -4.939) 5.356 14.138 ( 5.489 -5.871 2.987) 8.574 14.154 ( 0.042 -1.858 1.039) 2.129 14.490 ( -1.352 2.455 5.716) 6.366 14.532 ( -3.644 0.901 3.571) 5.181 14.672 ( -2.415 -1.080 9.651) 10.007 14.815 ( -0.562 -0.614 5.442) 5.506 14.952 ( -4.964 0.414 -10.654) 11.761 15.031 ( 0.846 -1.372 -12.915) 13.015 15.242 ( -1.974 5.699 2.514) 6.534 15.307 ( -4.218 5.074 -2.786) 7.163 15.522 ( -7.491 7.696 10.864) 15.277 15.680 ( -1.154 4.468 -2.571) 5.283 15.955 ( -5.785 3.341 -0.461) 6.696 16.046 ( -9.343 8.738 -8.588) 15.408 16.472 ( -16.844 -0.411 10.562) 19.886 16.655 ( -20.517 -2.550 -5.728) 21.454 17.008 ( -22.902 -11.151 8.092) 26.727 17.219 ( -20.710 -1.973 -10.662) 23.377 17.613 ( -12.244 -5.638 3.499) 13.926 17.648 ( -17.010 -5.622 1.339) 17.965 18.126 ( -16.181 -6.259 1.642) 17.427 18.180 ( -17.597 -1.642 -2.778) 17.891 20.202 ( 6.701 -9.623 3.773) 12.318 20.315 ( 5.735 -5.206 -4.778) 9.100 20.785 ( 10.410 -6.050 7.701) 14.292 21.067 ( 5.474 -2.368 -15.672) 16.768 21.285 ( 6.654 2.729 13.151) 14.989 21.579 ( 8.845 9.861 -11.610) 17.614 21.946 ( 4.444 5.759 15.123) 16.782 22.224 ( 9.091 12.995 -0.163) 15.860 22.356 ( 12.964 -0.716 1.502) 13.070 22.641 ( 3.482 -2.954 -16.352) 16.977 23.344 ( -4.499 -5.219 13.297) 14.976 23.560 ( -4.839 -5.548 -6.980) 10.145 ======================= Grid point 124 (46/60) ======================= q-point: ( 0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 13.051 -1.616 4.301) 13.836 1.846 ( 3.638 5.690 -11.915) 13.696 2.164 ( 15.538 1.700 11.010) 19.119 2.246 ( 5.960 7.080 0.499) 9.269 2.298 ( -3.083 -0.578 3.313) 4.562 2.394 ( 0.008 1.481 -0.565) 1.585 2.422 ( 1.040 1.485 2.828) 3.359 2.547 ( -1.210 5.399 -4.378) 7.055 2.691 ( -3.254 -2.362 7.199) 8.246 2.713 ( -2.082 3.200 2.035) 4.326 2.832 ( -0.891 4.681 -9.410) 10.548 2.945 ( 1.098 -5.823 -13.598) 14.833 3.246 ( 7.484 -4.197 3.224) 9.166 3.319 ( 9.978 -8.330 -4.282) 13.685 3.433 ( -7.248 3.446 13.947) 16.091 3.694 ( 1.916 -3.111 -8.284) 9.054 3.925 ( 5.697 -4.630 8.361) 11.126 4.081 ( 5.029 -0.697 -3.174) 5.988 4.141 ( 7.250 7.408 3.214) 10.852 4.271 ( -2.050 0.199 -4.521) 4.968 4.434 ( -1.063 -5.071 6.420) 8.249 4.523 ( 1.720 4.177 0.809) 4.589 4.596 ( -4.973 -3.971 0.509) 6.384 4.697 ( -3.859 -2.554 -1.539) 4.877 4.816 ( 1.837 -3.951 -4.445) 6.225 4.924 ( -6.398 -2.508 -9.967) 12.107 5.175 ( 3.370 4.074 5.385) 7.547 5.275 ( -0.702 2.217 -3.389) 4.110 5.530 ( 2.998 4.047 8.372) 9.770 5.643 ( 3.245 2.445 -2.250) 4.645 5.975 ( 2.763 0.762 7.812) 8.321 6.070 ( -5.341 -3.828 1.126) 6.667 6.357 ( -0.313 8.178 -5.708) 9.978 6.398 ( -2.849 1.247 -8.456) 9.010 6.637 ( -1.949 3.895 3.801) 5.781 6.728 ( -1.942 0.868 -3.371) 3.986 6.846 ( 4.467 6.246 4.163) 8.735 6.901 ( 1.519 0.731 0.755) 1.847 7.124 ( 1.553 4.110 4.974) 6.637 7.153 ( -5.392 6.856 3.649) 9.455 7.254 ( 1.023 9.628 -5.121) 10.953 7.272 ( -3.643 4.642 -7.280) 9.371 7.564 ( -0.699 5.102 7.837) 9.378 7.672 ( 1.409 5.630 0.145) 5.806 7.707 ( -4.946 4.408 8.045) 10.422 7.784 ( 1.461 3.940 0.958) 4.310 7.818 ( -1.665 3.459 -2.942) 4.837 7.892 ( -7.287 7.165 -8.967) 13.595 8.103 ( 11.765 6.994 0.959) 13.721 8.146 ( 8.495 8.773 -2.329) 12.432 8.510 ( 9.637 3.782 13.375) 16.914 8.661 ( -5.220 12.446 6.457) 14.961 8.836 ( 11.583 3.541 -14.737) 19.076 8.929 ( -5.290 15.806 -13.284) 21.314 9.381 ( 11.201 17.342 6.651) 21.690 9.535 ( 12.153 10.059 -10.148) 18.758 9.678 ( -8.428 -1.799 15.261) 17.526 10.068 ( -8.054 -2.036 -20.725) 22.328 10.711 ( -8.747 -5.472 21.102) 23.489 10.843 ( -10.710 -2.497 10.649) 15.308 11.149 ( -2.992 -2.987 12.122) 12.838 11.753 ( -1.576 0.998 -30.045) 30.103 12.050 ( -11.302 -8.867 9.677) 17.320 12.323 ( -6.429 -7.259 -11.120) 14.753 12.759 ( -0.716 -3.255 -0.231) 3.341 12.769 ( 6.932 -4.542 0.050) 8.288 12.872 ( -0.438 4.865 10.313) 11.411 12.936 ( 4.164 -10.907 4.790) 12.620 13.092 ( 0.959 0.969 -1.757) 2.224 13.182 ( 5.798 -4.131 -9.177) 11.615 13.320 ( -4.460 -1.555 -2.315) 5.260 13.414 ( -0.691 -1.988 -7.774) 8.054 13.710 ( 1.163 -6.478 8.047) 10.395 13.843 ( 3.617 -6.691 -4.933) 9.065 14.138 ( -2.285 -5.753 4.954) 7.929 14.209 ( -1.268 -8.599 -0.649) 8.716 14.451 ( -1.595 -1.192 7.200) 7.470 14.511 ( -1.215 -6.159 8.506) 10.571 14.604 ( -1.521 -1.145 2.219) 2.924 14.833 ( -0.219 -1.565 -4.634) 4.896 14.902 ( 2.154 -3.221 -3.158) 4.999 15.050 ( 1.134 -0.861 -7.720) 7.850 15.243 ( 2.256 7.055 4.887) 8.874 15.352 ( 9.195 4.446 -4.050) 10.987 15.456 ( 1.146 7.433 7.847) 10.869 15.642 ( -1.709 6.680 -8.342) 10.823 15.792 ( -8.771 -1.674 0.232) 8.932 15.878 ( -10.345 -3.217 -6.251) 12.507 16.187 ( -10.089 1.204 8.726) 13.394 16.276 ( -16.028 5.326 1.993) 17.007 16.520 ( -20.047 -12.003 5.369) 23.975 16.735 ( -21.397 -2.793 -12.809) 25.094 17.245 ( -19.348 1.292 8.050) 20.996 17.350 ( -14.386 1.967 -2.054) 14.664 17.752 ( -19.527 -2.076 0.167) 19.638 17.769 ( -20.914 1.575 -1.056) 21.000 20.360 ( 8.503 -12.910 3.664) 15.887 20.479 ( 9.597 -8.805 -6.171) 14.412 20.922 ( 2.409 -8.949 4.536) 10.318 21.127 ( 0.241 -3.211 -11.784) 12.216 21.430 ( 7.294 -0.466 15.999) 17.589 21.746 ( 6.955 4.916 -7.689) 11.475 21.988 ( 0.194 2.388 10.191) 10.468 22.317 ( -0.412 5.801 -12.401) 13.697 22.578 ( 8.901 1.501 5.406) 10.522 22.759 ( 7.322 3.837 -7.787) 11.356 23.225 ( -6.737 -2.831 12.519) 14.496 23.434 ( -7.091 -3.150 -6.892) 10.378 ======================= Grid point 125 (47/60) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 7.517 -3.594 -2.219) 8.622 1.963 ( 10.940 -7.004 -5.195) 13.990 2.188 ( -3.814 -2.926 3.841) 6.153 2.273 ( -4.588 -0.110 0.128) 4.592 2.305 ( 0.719 6.395 3.952) 7.552 2.441 ( 0.208 -1.558 0.130) 1.577 2.481 ( 2.124 -3.429 5.145) 6.538 2.552 ( -3.518 1.138 -3.664) 5.206 2.681 ( -0.769 2.396 -0.149) 2.520 2.685 ( 11.600 -4.557 2.521) 12.715 2.891 ( 7.193 -1.269 -1.297) 7.418 3.055 ( 4.146 -0.177 -11.134) 11.882 3.225 ( -6.899 1.649 16.211) 17.695 3.459 ( 8.662 -5.962 2.732) 10.864 3.558 ( 9.347 -13.825 -2.704) 16.906 3.623 ( -1.091 -7.348 -14.781) 16.543 3.896 ( -16.668 -16.984 14.286) 27.756 4.108 ( -0.909 -11.975 0.593) 12.024 4.121 ( 1.137 -11.674 -1.848) 11.874 4.174 ( -9.520 -10.020 -7.614) 15.780 4.401 ( -7.844 -8.523 -0.133) 11.584 4.452 ( 2.571 -6.577 0.992) 7.131 4.646 ( 7.810 3.805 3.846) 9.501 4.744 ( 5.345 6.056 -0.673) 8.105 4.857 ( 1.858 -0.029 -3.837) 4.264 4.991 ( 8.959 4.991 -8.093) 13.065 5.188 ( -3.282 5.459 4.205) 7.632 5.252 ( -2.594 3.902 -0.705) 4.738 5.626 ( 6.005 2.910 6.615) 9.396 5.723 ( 4.323 -0.658 -0.219) 4.378 5.953 ( -5.051 -2.508 0.538) 5.665 6.002 ( -1.452 -1.994 1.158) 2.725 6.337 ( -0.003 3.421 1.180) 3.618 6.383 ( 1.528 0.043 -0.902) 1.774 6.591 ( -2.892 4.757 -1.296) 5.716 6.667 ( -3.568 0.158 -6.027) 7.006 6.911 ( -1.866 3.282 5.423) 6.608 6.918 ( 0.492 12.350 6.243) 13.847 7.094 ( 2.088 10.763 -0.345) 10.969 7.134 ( -1.441 7.189 -3.607) 8.171 7.197 ( 2.275 5.606 -0.507) 6.072 7.289 ( -0.081 9.387 -7.905) 12.273 7.516 ( -6.235 5.325 3.471) 8.904 7.585 ( -7.629 5.644 -1.075) 9.550 7.640 ( 0.844 12.403 5.385) 13.548 7.759 ( 0.911 10.162 0.891) 10.241 7.787 ( -2.613 10.945 -0.559) 11.267 7.847 ( 0.042 9.963 -1.493) 10.074 8.259 ( 4.863 10.640 3.039) 12.087 8.339 ( 8.043 6.656 -1.563) 10.556 8.505 ( -4.941 13.170 5.922) 15.262 8.751 ( -7.446 11.676 -13.157) 19.102 8.840 ( 15.047 5.138 12.811) 20.418 9.157 ( 15.547 5.243 -16.122) 23.002 9.432 ( -10.513 0.105 11.629) 15.677 9.675 ( 1.193 -0.695 -4.184) 4.406 9.732 ( 10.601 6.418 2.606) 12.663 10.007 ( 8.301 2.676 -15.270) 17.586 10.438 ( -15.970 -5.404 12.479) 20.975 10.615 ( -12.952 -4.234 -3.402) 14.045 11.216 ( 9.140 0.762 23.076) 24.832 11.765 ( -6.102 -3.043 1.727) 7.034 11.806 ( -3.313 1.278 -14.135) 14.574 12.147 ( -9.969 -2.955 -16.823) 19.777 12.716 ( -0.788 5.934 8.804) 10.647 12.831 ( -0.876 1.550 8.218) 8.409 12.938 ( 2.493 -2.333 -1.120) 3.593 13.067 ( 7.908 -14.595 2.029) 16.724 13.133 ( 5.639 -5.386 -0.867) 7.846 13.195 ( -6.380 -3.763 -6.276) 9.709 13.309 ( 5.001 -9.243 -5.490) 11.857 13.419 ( 0.198 -6.376 -9.269) 11.252 13.733 ( 0.841 -12.016 12.363) 17.261 13.924 ( 3.733 -10.606 -5.200) 12.387 13.988 ( -11.245 -14.071 8.886) 20.085 14.122 ( -5.402 -9.525 -2.424) 11.215 14.430 ( -0.139 -4.017 11.441) 12.126 14.478 ( -1.359 0.457 9.382) 9.491 14.650 ( 4.606 -4.823 -9.368) 11.499 14.807 ( -2.025 0.216 -17.449) 17.567 15.005 ( 7.452 -7.530 3.287) 11.092 15.119 ( 5.740 -2.769 -5.620) 8.497 15.343 ( 6.057 3.756 11.391) 13.437 15.441 ( -2.966 1.055 4.950) 5.866 15.565 ( -15.160 -10.751 -3.331) 18.881 15.610 ( 5.391 -1.808 -4.390) 7.184 15.647 ( -3.729 0.038 -1.084) 3.883 15.689 ( 5.368 1.364 -3.272) 6.433 15.952 ( -6.987 2.122 6.353) 9.679 16.040 ( -5.538 9.326 0.246) 10.849 16.288 ( -4.742 -1.679 2.581) 5.654 16.403 ( -12.707 1.142 -6.651) 14.388 16.939 ( -7.063 7.670 6.377) 12.222 17.061 ( -11.011 7.215 -4.618) 13.950 17.327 ( -19.569 6.588 1.443) 20.699 17.354 ( -18.690 4.214 -0.851) 19.179 20.548 ( 9.264 -14.651 5.103) 18.070 20.688 ( 9.557 -10.163 -5.189) 14.884 20.901 ( -3.430 -11.633 1.239) 12.192 21.076 ( -5.022 -5.989 -11.686) 14.059 21.588 ( 7.795 -2.368 17.555) 19.353 21.832 ( -0.443 -0.997 11.694) 11.745 22.003 ( 3.208 3.435 -10.681) 11.669 22.247 ( -5.399 1.863 -16.212) 17.189 22.745 ( 7.471 3.376 9.107) 12.254 22.917 ( 7.337 3.607 -4.435) 9.301 23.074 ( -7.231 0.240 10.256) 12.551 23.272 ( -8.290 -0.558 -6.893) 10.795 ======================= Grid point 126 (48/60) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -5.613 -4.203 4.971) 8.595 2.059 ( 5.613 -4.203 4.971) 8.596 2.179 ( -5.767 -7.528 -4.648) 10.561 2.179 ( 5.767 -7.528 -4.648) 10.561 2.375 ( -6.504 1.083 0.359) 6.603 2.375 ( 6.504 1.083 0.359) 6.603 2.469 ( -4.260 3.331 -7.039) 8.876 2.469 ( 4.260 3.331 -7.039) 8.876 2.813 ( -7.124 -0.766 8.773) 11.327 2.813 ( 7.124 -0.766 8.773) 11.327 2.987 ( -7.019 -2.800 -5.639) 9.429 2.987 ( 7.019 -2.800 -5.639) 9.429 3.349 ( -16.652 -8.109 16.812) 25.014 3.349 ( 16.652 -8.109 16.812) 25.014 3.652 ( -3.764 -12.281 -6.846) 14.555 3.652 ( 3.764 -12.281 -6.846) 14.555 3.915 ( -10.927 -15.749 -2.600) 19.344 3.915 ( 10.927 -15.749 -2.600) 19.344 4.040 ( -3.751 -11.778 -10.718) 16.361 4.040 ( 3.751 -11.778 -10.718) 16.361 4.459 ( -5.773 -8.329 12.744) 16.282 4.459 ( 5.773 -8.329 12.744) 16.282 4.729 ( -4.164 -1.680 -12.365) 13.155 4.729 ( 4.164 -1.680 -12.365) 13.155 5.043 ( -10.257 7.944 6.659) 14.583 5.043 ( 10.257 7.944 6.659) 14.583 5.154 ( -6.472 3.856 -2.870) 8.062 5.154 ( 6.472 3.856 -2.870) 8.062 5.746 ( -4.201 0.054 8.349) 9.347 5.746 ( 4.201 0.054 8.349) 9.347 5.926 ( -3.959 -1.085 -6.858) 7.993 5.926 ( 3.959 -1.085 -6.858) 7.993 6.385 ( -2.929 -0.693 7.764) 8.327 6.385 ( 2.929 -0.693 7.764) 8.327 6.581 ( -3.584 2.454 -9.461) 10.411 6.581 ( 3.584 2.454 -9.461) 10.411 6.888 ( -1.257 9.645 9.443) 13.556 6.888 ( 1.257 9.645 9.443) 13.556 7.128 ( -1.027 10.225 -9.942) 14.298 7.128 ( 1.027 10.225 -9.942) 14.298 7.304 ( -2.715 6.058 3.600) 7.551 7.304 ( 2.715 6.058 3.600) 7.551 7.418 ( -3.744 8.824 -4.478) 10.580 7.418 ( 3.744 8.824 -4.478) 10.580 7.716 ( -4.118 13.160 7.404) 15.651 7.716 ( 4.118 13.160 7.404) 15.651 7.812 ( -2.827 12.605 -1.903) 13.057 7.812 ( 2.827 12.605 -1.903) 13.057 8.351 ( -4.197 11.403 8.043) 14.571 8.351 ( 4.197 11.403 8.042) 14.571 8.569 ( -8.584 10.781 -11.664) 18.055 8.569 ( 8.584 10.781 -11.664) 18.055 9.165 ( -14.564 1.363 12.730) 19.391 9.165 ( 14.564 1.363 12.730) 19.391 9.467 ( -13.845 2.916 -15.272) 20.819 9.467 ( 13.845 2.916 -15.272) 20.819 10.077 ( -17.475 -0.569 11.379) 20.861 10.077 ( 17.475 -0.569 11.379) 20.861 10.307 ( -15.704 -3.178 -9.663) 18.711 10.307 ( 15.704 -3.178 -9.663) 18.711 11.475 ( -14.490 -0.580 19.388) 24.211 11.475 ( 14.490 -0.580 19.388) 24.211 11.940 ( -9.172 0.929 -21.517) 23.409 11.940 ( 9.172 0.929 -21.517) 23.409 12.755 ( -4.107 3.310 12.531) 13.596 12.755 ( 4.107 3.310 12.531) 13.596 13.031 ( -6.598 -0.175 -10.250) 12.191 13.031 ( 6.598 -0.175 -10.250) 12.191 13.225 ( -2.172 -12.450 2.906) 12.968 13.225 ( 2.172 -12.450 2.906) 12.968 13.379 ( -3.162 -11.555 -7.656) 14.217 13.379 ( 3.162 -11.555 -7.656) 14.217 13.787 ( -5.965 -15.050 13.929) 21.357 13.787 ( 5.965 -15.050 13.929) 21.357 14.008 ( -4.743 -11.876 -5.491) 13.917 14.008 ( 4.743 -11.876 -5.491) 13.917 14.449 ( -1.458 -0.448 10.348) 10.460 14.449 ( 1.458 -0.448 10.348) 10.460 14.746 ( -3.918 -1.577 -17.016) 17.533 14.746 ( 3.918 -1.577 -17.016) 17.533 15.228 ( -13.453 -12.427 2.721) 18.515 15.228 ( 13.453 -12.427 2.721) 18.515 15.279 ( -8.111 -4.579 -1.614) 9.453 15.279 ( 8.111 -4.579 -1.614) 9.453 15.511 ( -8.495 -0.989 11.156) 14.057 15.511 ( 8.495 -0.989 11.156) 14.057 15.683 ( -4.509 4.883 -4.178) 7.850 15.683 ( 4.509 4.883 -4.178) 7.850 16.101 ( -11.613 0.431 0.177) 11.622 16.101 ( 11.613 0.431 0.177) 11.622 16.150 ( -10.952 4.563 -3.021) 12.243 16.150 ( 10.952 4.563 -3.021) 12.243 16.973 ( -5.368 10.575 4.046) 12.531 16.973 ( 5.368 10.575 4.046) 12.531 17.055 ( -4.121 8.889 -3.107) 10.278 17.055 ( 4.121 8.889 -3.107) 10.278 20.726 ( -6.878 -13.731 6.970) 16.865 20.726 ( 6.878 -13.731 6.970) 16.865 20.934 ( -7.711 -9.154 -12.250) 17.126 20.934 ( 7.711 -9.154 -12.250) 17.126 21.743 ( -6.634 -2.692 17.737) 19.128 21.743 ( 6.634 -2.692 17.737) 19.128 22.118 ( -6.549 2.248 -16.981) 18.338 22.118 ( 6.549 2.248 -16.981) 18.338 22.899 ( -7.283 1.821 11.431) 13.676 22.899 ( 7.283 1.821 11.431) 13.676 23.099 ( -7.988 2.286 -6.941) 10.827 23.099 ( 7.988 2.286 -6.941) 10.827 ======================= Grid point 132 (49/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 22.319 1.560) 22.374 1.840 ( 0.000 14.049 -8.362) 16.349 1.988 ( 0.000 20.052 8.581) 21.811 2.222 ( 0.000 16.251 -12.858) 20.722 2.392 ( 0.000 6.835 13.275) 14.931 2.606 ( 0.000 5.290 -6.407) 8.308 2.609 ( 0.000 -0.873 3.917) 4.013 2.639 ( 0.000 2.671 3.352) 4.286 2.780 ( 0.000 -10.809 8.515) 13.760 2.967 ( 0.000 -5.389 -0.394) 5.404 2.987 ( 0.000 -15.810 -9.115) 18.249 3.008 ( 0.000 -6.999 -2.753) 7.521 3.321 ( 0.000 36.795 19.550) 41.666 3.453 ( 0.000 17.993 -1.101) 18.027 3.542 ( 0.000 20.326 -6.287) 21.276 3.733 ( 0.000 24.965 -12.034) 27.714 3.880 ( 0.000 17.971 -0.235) 17.972 3.986 ( 0.000 22.765 -11.361) 25.443 4.150 ( 0.000 14.633 7.448) 16.419 4.324 ( 0.000 13.645 -8.113) 15.875 4.409 ( 0.000 -0.854 4.701) 4.778 4.525 ( 0.000 5.456 18.215) 19.015 4.628 ( 0.000 -3.312 -11.699) 12.158 4.940 ( 0.000 -7.517 -17.571) 19.112 5.013 ( 0.000 -1.858 9.146) 9.332 5.143 ( 0.000 0.215 -2.115) 2.126 5.411 ( 0.000 -18.288 12.759) 22.299 5.482 ( 0.000 11.537 17.021) 20.562 5.656 ( 0.000 12.261 -0.579) 12.275 5.700 ( 0.000 -11.556 -11.326) 16.181 6.075 ( 0.000 -4.698 4.470) 6.484 6.132 ( 0.000 14.983 3.231) 15.328 6.159 ( 0.000 -8.579 -1.493) 8.707 6.384 ( 0.000 9.344 -17.861) 20.158 6.685 ( 0.000 -5.628 5.677) 7.994 6.744 ( 0.000 3.439 5.434) 6.430 6.791 ( 0.000 -4.392 -2.066) 4.854 6.854 ( 0.000 5.017 -3.305) 6.008 6.937 ( 0.000 -4.264 3.365) 5.432 7.063 ( 0.000 2.337 -6.715) 7.110 7.213 ( 0.000 -8.185 3.583) 8.935 7.268 ( 0.000 -0.225 2.053) 2.066 7.330 ( 0.000 0.020 -1.776) 1.776 7.337 ( 0.000 -6.297 -7.846) 10.060 7.604 ( 0.000 9.361 16.654) 19.105 7.857 ( 0.000 7.683 -2.187) 7.988 7.915 ( 0.000 3.084 8.731) 9.259 7.936 ( 0.000 9.132 -1.331) 9.228 8.009 ( 0.000 8.432 -11.967) 14.639 8.026 ( 0.000 3.817 -2.011) 4.314 8.636 ( 0.000 -11.802 9.535) 15.173 8.863 ( 0.000 17.491 11.246) 20.795 8.906 ( 0.000 -13.991 -14.030) 19.814 9.154 ( 0.000 20.633 -14.568) 25.258 9.791 ( 0.000 -13.009 18.049) 22.249 9.799 ( 0.000 32.288 -2.122) 32.357 9.835 ( 0.000 34.223 -4.090) 34.466 10.224 ( 0.000 -14.566 -21.549) 26.010 11.067 ( 0.000 10.288 42.629) 43.853 11.086 ( 0.000 -12.901 10.039) 16.347 11.226 ( 0.000 -14.042 -3.551) 14.484 11.880 ( 0.000 -3.779 -31.942) 32.165 12.091 ( 0.000 -17.598 11.877) 21.231 12.215 ( 0.000 -11.072 1.517) 11.175 12.373 ( 0.000 -4.209 1.007) 4.328 12.518 ( 0.000 -6.498 5.166) 8.301 12.536 ( 0.000 -11.103 -12.360) 16.615 12.607 ( 0.000 -4.343 -3.654) 5.676 13.237 ( 0.000 2.804 -0.796) 2.915 13.310 ( 0.000 4.107 2.872) 5.012 13.379 ( 0.000 0.101 -12.329) 12.329 13.413 ( 0.000 4.601 -5.622) 7.264 13.720 ( 0.000 0.678 10.928) 10.949 13.899 ( 0.000 -4.939 -5.075) 7.082 13.917 ( 0.000 -3.854 8.925) 9.722 14.009 ( 0.000 -5.132 1.624) 5.382 14.611 ( 0.000 -2.343 7.087) 7.464 14.693 ( 0.000 -2.360 11.397) 11.639 14.834 ( 0.000 -0.109 -13.354) 13.355 14.986 ( 0.000 -2.039 -14.308) 14.452 15.363 ( 0.000 5.630 8.327) 10.052 15.456 ( 0.000 17.234 3.378) 17.562 15.500 ( 0.000 5.446 -4.750) 7.227 15.508 ( 0.000 9.310 0.018) 9.310 15.755 ( 0.000 9.074 5.294) 10.505 15.888 ( 0.000 6.537 -6.080) 8.928 16.415 ( 0.000 14.571 11.193) 18.373 16.702 ( 0.000 14.752 -15.203) 21.184 16.790 ( 0.000 -17.675 7.436) 19.175 16.969 ( 0.000 -18.558 -8.633) 20.468 17.497 ( 0.000 12.197 16.205) 20.283 17.550 ( 0.000 -19.527 10.253) 22.055 17.791 ( 0.000 -19.141 -11.967) 22.574 17.808 ( 0.000 12.950 -12.120) 17.737 18.310 ( 0.000 -12.771 8.990) 15.618 18.483 ( 0.000 -7.258 -7.034) 10.107 19.964 ( 0.000 3.836 14.859) 15.346 20.330 ( 0.000 6.226 -18.431) 19.455 20.332 ( 0.000 -4.037 15.956) 16.459 20.762 ( 0.000 -5.390 -23.770) 24.373 21.250 ( 0.000 9.915 17.265) 19.910 21.597 ( 0.000 15.083 -15.146) 21.375 21.886 ( 0.000 -8.829 26.122) 27.574 22.077 ( 0.000 23.485 7.429) 24.632 22.205 ( 0.000 23.870 -4.586) 24.307 22.413 ( 0.000 -10.681 -23.572) 25.879 23.231 ( 0.000 -13.183 13.284) 18.715 23.445 ( 0.000 -14.092 -6.908) 15.695 ======================= Grid point 133 (50/60) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 2.088 19.034 1.148) 19.183 1.869 ( 2.784 11.396 -7.054) 13.688 2.024 ( 3.011 22.345 7.904) 23.893 2.211 ( -0.231 15.755 -7.396) 17.406 2.437 ( 3.256 5.956 9.691) 11.831 2.532 ( -6.587 -0.776 5.066) 8.346 2.551 ( -4.694 1.553 0.131) 4.947 2.636 ( 1.324 4.830 -5.011) 7.084 2.764 ( -1.018 -7.136 5.845) 9.281 2.878 ( -5.213 -10.341 -4.298) 12.353 3.019 ( 1.535 -1.664 1.937) 2.979 3.124 ( 3.180 -2.102 -4.106) 5.602 3.225 ( -0.920 10.005 3.156) 10.531 3.367 ( -9.886 16.139 -7.529) 20.369 3.533 ( -3.492 20.997 0.766) 21.299 3.619 ( -9.708 18.788 -6.689) 22.181 3.875 ( 6.925 23.927 8.563) 26.340 4.110 ( 7.760 13.219 -3.141) 15.647 4.222 ( -5.137 6.465 13.094) 15.480 4.341 ( 6.278 11.963 -4.639) 14.284 4.422 ( 5.934 8.638 -7.275) 12.757 4.516 ( -6.678 -1.677 -4.475) 8.212 4.616 ( 1.719 -0.821 0.163) 1.912 4.813 ( -9.721 -6.906 -9.727) 15.388 5.002 ( -1.416 -2.538 8.961) 9.421 5.143 ( -1.602 1.839 -4.054) 4.731 5.317 ( -6.395 -10.756 10.139) 16.105 5.426 ( -7.805 1.385 6.390) 10.182 5.607 ( -2.898 2.523 0.101) 3.843 5.694 ( 0.931 7.576 -2.458) 8.018 6.016 ( -2.469 4.442 5.320) 7.357 6.098 ( 0.704 -7.468 1.179) 7.593 6.352 ( 8.368 0.762 -5.371) 9.973 6.418 ( 2.418 5.307 -13.784) 14.967 6.693 ( 0.771 -3.397 3.977) 5.287 6.729 ( 2.102 4.950 5.695) 7.833 6.783 ( -2.024 -2.093 -3.455) 4.519 6.846 ( 1.971 2.581 -3.108) 4.495 7.033 ( 4.650 -2.803 6.589) 8.538 7.134 ( 2.709 3.798 -0.609) 4.705 7.239 ( 5.684 -7.394 2.700) 9.709 7.316 ( 4.718 0.437 0.823) 4.809 7.382 ( 5.632 -4.455 -4.361) 8.401 7.415 ( 5.985 -0.499 -3.211) 6.810 7.638 ( 3.413 9.636 9.069) 13.665 7.827 ( -2.356 7.831 -5.726) 9.983 7.943 ( 0.878 8.507 0.907) 8.600 7.954 ( 1.896 6.469 1.871) 6.996 7.996 ( 4.158 3.872 3.346) 6.593 8.126 ( 4.076 5.245 -3.213) 7.379 8.559 ( -4.777 -5.270 3.444) 7.903 8.751 ( -9.827 -4.073 -10.582) 15.004 8.947 ( 4.012 7.977 8.559) 12.368 9.203 ( 2.745 15.850 -11.374) 19.701 9.684 ( -5.672 3.932 10.447) 12.521 9.820 ( -1.229 31.342 -3.743) 31.588 9.869 ( 2.183 15.554 3.993) 16.206 10.192 ( -2.875 -11.859 -20.468) 23.829 10.961 ( -6.945 -1.435 24.372) 25.383 11.080 ( -3.415 -7.069 15.228) 17.132 11.223 ( -0.556 -6.780 6.484) 9.398 11.843 ( -2.705 -2.451 -28.887) 29.117 12.062 ( -2.826 -17.360 11.252) 20.880 12.214 ( -0.324 -10.934 -2.115) 11.141 12.406 ( 2.852 -4.815 0.097) 5.597 12.532 ( 1.664 -8.197 -5.381) 9.946 12.587 ( 3.986 -7.249 1.010) 8.334 12.681 ( 6.438 -6.481 -3.585) 9.813 13.216 ( -1.734 3.725 -1.495) 4.372 13.257 ( -2.972 4.173 -2.207) 5.578 13.403 ( 1.502 1.698 -3.947) 4.551 13.438 ( 1.029 0.543 -6.423) 6.527 13.727 ( 0.193 0.544 9.998) 10.015 13.851 ( -3.440 -3.907 0.069) 5.206 13.947 ( 2.539 -3.938 6.393) 7.926 14.066 ( 3.652 -5.235 -3.610) 7.334 14.617 ( 0.280 -2.612 9.324) 9.687 14.655 ( -3.869 -1.541 11.194) 11.944 14.836 ( -1.132 1.767 -11.819) 12.004 14.963 ( -2.111 1.654 -14.205) 14.456 15.187 ( -19.000 17.937 5.141) 26.630 15.286 ( -11.481 12.321 -0.859) 16.863 15.396 ( -3.972 6.307 3.052) 8.054 15.496 ( -2.844 5.979 -4.273) 7.880 15.740 ( -0.669 4.836 4.296) 6.503 15.808 ( -5.719 5.070 -0.963) 7.703 16.290 ( -10.568 12.598 8.475) 18.499 16.518 ( -13.759 9.833 -8.865) 19.094 16.675 ( -12.175 -11.117 2.144) 16.626 16.821 ( -13.628 -17.828 -7.744) 23.738 17.319 ( -17.247 -3.559 13.318) 22.079 17.502 ( -3.228 -3.671 6.533) 8.159 17.624 ( -13.825 -11.601 -6.877) 19.313 17.788 ( -4.003 2.319 -9.328) 10.412 18.210 ( -9.112 -12.114 8.271) 17.268 18.381 ( -9.414 -6.894 -6.983) 13.599 20.021 ( 3.810 1.565 11.100) 11.839 20.268 ( -1.163 2.541 -3.243) 4.281 20.478 ( 8.372 -3.066 2.257) 9.197 20.836 ( 6.534 -5.530 -22.687) 24.248 21.293 ( 3.331 8.259 18.522) 20.552 21.663 ( 5.153 13.440 -15.050) 20.825 21.906 ( 2.287 -5.915 22.423) 23.302 22.204 ( 10.731 17.782 7.995) 22.255 22.316 ( 7.311 15.852 -8.352) 19.351 22.460 ( 5.919 -4.222 -17.979) 19.393 23.230 ( -0.297 -11.909 13.117) 17.719 23.441 ( -0.505 -12.735 -6.808) 14.450 ======================= Grid point 134 (51/60) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.764 15.745 5.794) 17.004 1.939 ( 2.939 7.053 -7.503) 10.709 2.111 ( 5.582 17.927 6.520) 19.876 2.251 ( 4.568 15.198 -3.167) 16.183 2.380 ( -6.724 -4.343 2.920) 8.521 2.437 ( -4.623 -1.899 -1.927) 5.356 2.526 ( 2.068 4.929 6.902) 8.729 2.669 ( 0.822 4.916 -5.491) 7.416 2.728 ( -3.643 -3.150 4.860) 6.842 2.783 ( -2.023 -5.735 -1.065) 6.173 2.982 ( -3.579 6.235 -4.854) 8.675 3.025 ( -8.102 9.736 -6.364) 14.175 3.284 ( -1.911 5.852 4.823) 7.821 3.315 ( 0.975 0.558 4.128) 4.278 3.382 ( -1.869 5.522 -4.377) 7.290 3.458 ( -2.303 1.911 -8.022) 8.561 3.970 ( -11.152 -3.206 13.426) 17.746 4.121 ( 9.404 12.559 6.717) 17.067 4.240 ( -13.801 -5.699 -8.545) 17.203 4.266 ( -0.480 -2.231 -3.971) 4.580 4.420 ( -2.459 -0.126 4.364) 5.010 4.570 ( 1.753 2.448 2.496) 3.911 4.654 ( 3.459 7.801 -9.065) 12.450 4.693 ( 1.763 5.519 -5.105) 7.722 4.854 ( -10.799 -5.170 9.499) 15.283 5.068 ( -7.646 0.897 -8.320) 11.335 5.222 ( -0.621 4.440 6.320) 7.748 5.306 ( 0.162 -0.472 -2.525) 2.574 5.589 ( 0.379 4.900 7.751) 9.178 5.704 ( -0.077 6.480 -3.360) 7.300 5.991 ( -1.079 -0.755 3.482) 3.723 6.075 ( -2.728 -4.628 0.032) 5.372 6.420 ( 2.015 0.127 -4.247) 4.703 6.518 ( 2.632 6.101 -9.125) 11.288 6.714 ( 0.497 -2.404 0.515) 2.508 6.735 ( -1.691 -0.884 -1.679) 2.541 6.834 ( 6.498 7.241 4.769) 10.835 6.881 ( 1.348 4.096 1.232) 4.484 7.117 ( 5.933 2.070 9.153) 11.102 7.248 ( 8.409 5.063 -5.066) 11.045 7.299 ( -0.746 -3.007 3.288) 4.518 7.426 ( 1.067 3.582 -4.535) 5.876 7.541 ( 10.339 -4.933 3.203) 11.895 7.581 ( 7.589 -0.205 0.269) 7.597 7.724 ( 3.747 8.154 1.394) 9.081 7.812 ( 2.216 6.036 -6.228) 8.951 7.961 ( -3.662 3.528 7.070) 8.709 8.015 ( 5.095 7.311 1.014) 8.969 8.071 ( 3.320 6.018 3.212) 7.587 8.194 ( 4.470 6.241 -0.558) 7.697 8.527 ( -1.084 3.917 -5.656) 6.965 8.587 ( 0.751 -5.422 -10.511) 11.851 9.019 ( 1.863 9.469 9.073) 13.246 9.228 ( -0.412 13.577 -7.200) 15.373 9.576 ( -4.150 -0.891 11.401) 12.165 9.786 ( -2.009 24.468 -4.386) 24.939 9.881 ( -1.031 17.071 2.982) 17.360 10.119 ( -3.816 -5.203 -18.676) 19.759 10.798 ( -8.782 -5.229 17.713) 20.450 10.956 ( -7.997 -7.722 6.299) 12.777 11.194 ( -1.756 1.892 16.466) 16.667 11.795 ( -1.599 0.076 -27.228) 27.275 11.981 ( -4.750 -14.807 9.483) 18.214 12.198 ( -1.277 -11.148 -7.546) 13.523 12.481 ( 4.289 -6.151 -0.350) 7.507 12.579 ( 2.945 -6.061 -8.513) 10.857 12.679 ( 4.349 -7.742 10.303) 13.602 12.836 ( 7.538 -7.261 -2.418) 10.742 13.174 ( -2.160 4.658 -0.261) 5.141 13.222 ( -0.600 5.843 -5.584) 8.105 13.417 ( -0.943 0.036 -2.666) 2.828 13.433 ( -1.410 -0.222 -3.240) 3.540 13.691 ( -4.088 -0.414 7.218) 8.305 13.762 ( -5.161 -3.086 1.302) 6.152 14.006 ( 2.406 -6.741 3.558) 7.993 14.108 ( -0.503 -3.706 -6.950) 7.892 14.505 ( -8.945 -0.548 17.496) 19.658 14.602 ( -4.445 0.769 10.097) 11.059 14.703 ( -4.931 9.194 1.910) 10.607 14.917 ( -5.055 9.028 -3.264) 10.850 14.980 ( -4.580 4.076 -10.006) 11.735 15.026 ( -4.217 2.292 -17.446) 18.094 15.366 ( 0.321 6.456 3.906) 7.552 15.427 ( -2.964 6.346 -1.808) 7.234 15.656 ( -6.370 4.949 8.598) 11.790 15.739 ( -1.886 0.691 -0.523) 2.076 16.001 ( -16.854 -0.296 3.944) 17.311 16.200 ( -18.643 4.805 -11.643) 22.499 16.357 ( -13.690 -10.138 8.649) 19.105 16.548 ( -8.824 -4.245 -7.279) 12.201 16.852 ( -24.976 -5.432 13.289) 28.808 17.148 ( -24.065 -6.726 -14.577) 28.928 17.498 ( -5.504 -3.715 8.257) 10.596 17.625 ( -10.609 3.506 -0.434) 11.182 17.966 ( -13.359 -10.078 5.110) 17.497 18.118 ( -15.042 -5.084 -6.734) 17.247 20.090 ( 3.119 -2.118 6.165) 7.227 20.274 ( 1.856 0.902 -6.872) 7.175 20.646 ( 6.718 -8.166 6.542) 12.435 20.975 ( 5.302 -5.910 -19.832) 21.362 21.361 ( 3.175 4.466 21.467) 22.155 21.765 ( 4.150 8.611 -9.347) 13.370 21.970 ( 3.075 -2.103 11.455) 12.046 22.367 ( 1.023 -1.314 -18.491) 18.566 22.476 ( 11.312 12.797 10.398) 19.996 22.669 ( 11.250 8.576 -7.421) 15.974 23.210 ( -1.844 -8.775 12.582) 15.451 23.416 ( -2.138 -9.480 -6.679) 11.792 ======================= Grid point 135 (52/60) ======================= q-point: ( 0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.008 7.828 9.250) 12.118 1.958 ( -0.939 4.913 -10.777) 11.881 2.222 ( -1.849 -0.056 3.897) 4.314 2.262 ( 1.931 2.851 7.127) 7.915 2.320 ( -6.150 -5.379 -3.992) 9.094 2.401 ( 8.457 7.643 -2.874) 11.755 2.521 ( -3.600 4.757 6.285) 8.665 2.602 ( -3.663 0.799 0.396) 3.770 2.660 ( -4.222 -1.343 -0.459) 4.455 2.767 ( -3.558 -0.292 -8.826) 9.521 2.868 ( -1.657 5.671 1.782) 6.171 3.012 ( 4.761 6.615 -8.564) 11.822 3.231 ( -1.692 3.513 1.064) 4.042 3.243 ( 0.171 2.097 0.705) 2.219 3.417 ( -5.692 -7.598 8.534) 12.765 3.530 ( 7.567 -8.773 -0.653) 11.603 3.772 ( -10.133 -12.698 2.202) 16.394 3.934 ( -6.437 -11.725 -3.977) 13.954 4.087 ( -12.834 -8.501 -0.649) 15.408 4.136 ( -9.012 -16.227 -7.803) 20.135 4.339 ( -11.089 -7.381 10.089) 16.710 4.549 ( -4.233 3.007 2.850) 5.923 4.637 ( -0.423 8.199 0.533) 8.227 4.747 ( 2.312 4.325 9.578) 10.760 4.842 ( 6.500 8.143 -10.732) 14.958 4.973 ( 2.322 5.379 -8.017) 9.930 5.280 ( 3.118 5.019 3.585) 6.911 5.324 ( 0.191 -0.173 0.537) 0.596 5.617 ( 2.609 5.060 3.756) 6.821 5.708 ( 1.096 4.469 -4.810) 6.657 5.956 ( -1.779 -3.602 1.063) 4.155 6.029 ( -1.233 0.399 -0.333) 1.338 6.451 ( 0.084 3.876 -0.879) 3.975 6.480 ( -4.424 4.804 -0.208) 6.534 6.693 ( -0.959 -1.641 -1.287) 2.295 6.732 ( -0.930 4.071 -3.432) 5.405 6.918 ( 3.004 0.513 4.669) 5.576 7.005 ( 8.283 9.460 -0.200) 12.575 7.211 ( 0.593 3.178 9.673) 10.199 7.302 ( 3.102 9.020 3.419) 10.133 7.369 ( -2.692 5.068 -5.828) 8.180 7.436 ( 5.434 8.580 -7.210) 12.455 7.636 ( -1.046 1.244 3.549) 3.904 7.702 ( 4.216 -1.735 1.141) 4.700 7.771 ( -3.258 2.382 0.356) 4.051 7.840 ( 2.182 2.756 -1.463) 3.808 7.950 ( 4.845 8.144 1.606) 9.612 8.000 ( -2.563 4.291 -2.776) 5.717 8.245 ( 11.109 7.643 4.529) 14.225 8.342 ( 8.341 9.441 -0.953) 12.633 8.567 ( 6.720 2.379 5.050) 8.737 8.760 ( 10.345 -0.070 -9.913) 14.328 9.010 ( -0.336 10.854 2.846) 11.226 9.177 ( -5.259 11.016 -10.908) 16.371 9.537 ( 0.248 -4.931 13.720) 14.582 9.723 ( -4.464 11.334 -1.043) 12.226 9.857 ( -0.113 16.650 1.859) 16.754 10.045 ( -2.700 2.825 -15.681) 16.161 10.586 ( -11.666 -7.580 13.145) 19.140 10.760 ( -10.687 -7.078 -1.397) 12.894 11.188 ( 2.102 7.520 21.653) 23.018 11.773 ( -1.268 -0.751 -16.022) 16.090 11.878 ( -4.255 -7.096 -3.020) 8.808 12.156 ( -2.878 -8.941 -14.772) 17.505 12.587 ( 5.898 -7.953 0.551) 9.917 12.666 ( 5.657 -6.833 -6.303) 10.882 12.753 ( 2.690 -6.646 15.120) 16.734 12.959 ( 3.382 -4.438 3.065) 6.366 13.122 ( -2.664 6.032 -3.776) 7.599 13.204 ( -1.887 5.283 -5.254) 7.686 13.328 ( -6.835 1.743 -0.836) 7.103 13.394 ( -2.515 -0.276 -4.696) 5.335 13.586 ( -4.857 -5.546 7.403) 10.448 13.681 ( -1.210 -9.308 -1.387) 9.488 13.994 ( -7.031 -9.718 2.196) 12.194 14.034 ( -4.964 -7.971 -1.754) 9.553 14.365 ( -3.642 -3.367 18.948) 19.587 14.509 ( -2.176 3.406 3.526) 5.364 14.652 ( -3.223 4.066 6.742) 8.508 14.794 ( -2.450 0.811 -1.199) 2.846 14.915 ( -1.720 2.602 -14.008) 14.351 15.051 ( 1.664 0.979 -14.664) 14.790 15.382 ( 0.309 6.507 5.321) 8.411 15.448 ( 6.660 4.653 -0.192) 8.127 15.572 ( -6.567 -0.045 4.317) 7.859 15.625 ( -7.020 -8.556 -1.029) 11.115 15.652 ( -15.328 -13.831 -0.231) 20.647 15.806 ( -11.821 1.807 -11.460) 16.563 16.180 ( -8.178 0.777 13.285) 15.619 16.385 ( -8.471 -1.208 3.790) 9.358 16.430 ( -12.904 6.748 2.149) 14.719 16.714 ( -14.397 0.732 -13.825) 19.973 17.240 ( -14.582 -0.923 9.452) 17.402 17.416 ( -11.643 4.127 -5.829) 13.659 17.687 ( -12.651 -4.460 4.906) 14.283 17.788 ( -16.308 0.104 -3.020) 16.586 20.170 ( 4.875 -6.444 5.284) 9.655 20.357 ( 6.201 -3.522 -9.579) 11.942 20.720 ( -0.021 -11.342 7.017) 13.337 21.022 ( -1.045 -6.566 -17.849) 19.048 21.436 ( 4.406 0.711 23.759) 24.175 21.828 ( 1.653 3.160 3.944) 5.318 22.014 ( 1.278 0.522 -4.855) 5.047 22.342 ( -2.824 -1.634 -19.489) 19.760 22.684 ( 8.168 8.085 11.477) 16.242 22.865 ( 7.350 7.054 -4.534) 11.151 23.151 ( -3.635 -4.828 10.993) 12.545 23.348 ( -4.288 -5.804 -6.687) 9.838 ======================= Grid point 136 (53/60) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.503 -4.697 3.833) 9.646 1.939 ( 0.209 1.013 -7.724) 7.793 2.099 ( -6.505 -5.736 3.815) 9.475 2.177 ( -7.111 -7.424 -2.103) 10.493 2.375 ( 4.168 -2.347 8.867) 10.075 2.436 ( -1.572 5.237 5.087) 7.468 2.518 ( -0.975 -0.027 -3.669) 3.796 2.546 ( -4.550 0.730 -2.303) 5.152 2.631 ( 7.974 -0.827 -4.975) 9.435 2.676 ( -2.385 -0.608 -7.818) 8.197 2.871 ( -3.259 -0.925 7.403) 8.141 3.072 ( -4.911 -3.590 -9.351) 11.155 3.193 ( 0.476 -1.463 10.529) 10.641 3.299 ( 5.089 -8.245 1.269) 9.772 3.373 ( 4.222 -4.498 2.276) 6.575 3.514 ( -2.963 -7.243 -8.527) 11.573 3.633 ( -7.576 -7.775 14.662) 18.244 3.830 ( -8.486 -15.181 -0.032) 17.392 3.898 ( -6.336 -10.819 -7.892) 14.815 3.952 ( -2.828 -9.506 -0.038) 9.918 4.208 ( -1.364 -11.501 -0.449) 11.590 4.342 ( -5.825 -1.585 -3.429) 6.942 4.567 ( -5.828 -9.438 3.507) 11.634 4.809 ( -6.867 -2.120 -12.856) 14.728 4.978 ( 12.150 10.131 7.952) 17.706 5.110 ( 7.858 6.620 -2.558) 10.588 5.299 ( -1.393 4.358 4.363) 6.323 5.310 ( -1.682 2.430 3.061) 4.254 5.696 ( 4.509 4.325 0.594) 6.276 5.766 ( 4.147 4.671 -2.553) 6.748 5.922 ( -1.814 -0.619 -1.588) 2.488 6.007 ( -1.810 1.552 -4.628) 5.206 6.401 ( -1.956 2.812 6.387) 7.248 6.425 ( -1.971 4.000 4.623) 6.423 6.649 ( -3.271 -0.238 -4.544) 5.604 6.697 ( -2.251 3.987 -7.199) 8.532 6.965 ( 2.422 2.220 7.752) 8.419 7.152 ( 3.754 10.487 0.048) 11.139 7.258 ( 3.093 7.518 7.222) 10.874 7.301 ( -1.799 7.371 -5.206) 9.202 7.342 ( 2.815 9.171 4.468) 10.582 7.475 ( -1.715 9.406 -8.875) 13.045 7.588 ( -3.623 2.171 0.371) 4.240 7.664 ( -4.800 2.367 -5.035) 7.348 7.793 ( 5.024 4.915 7.571) 10.331 7.925 ( 5.124 6.491 -3.661) 9.044 7.985 ( -0.140 7.905 3.741) 8.746 8.042 ( 2.633 9.664 -0.804) 10.049 8.461 ( 9.464 5.904 1.548) 11.262 8.488 ( 5.710 11.771 -0.478) 13.091 8.697 ( 0.165 4.943 8.649) 9.964 8.864 ( 2.202 4.149 -3.025) 5.587 9.028 ( -2.305 9.389 -1.407) 9.770 9.202 ( 14.060 0.654 -12.886) 19.083 9.475 ( -8.263 2.907 9.928) 13.240 9.636 ( -3.988 -3.095 -3.516) 6.153 9.900 ( 4.779 9.612 4.394) 11.599 10.055 ( 4.810 3.959 -9.201) 11.112 10.323 ( -13.069 -6.021 10.686) 17.923 10.510 ( -13.082 -6.272 -6.482) 15.890 11.295 ( 7.788 6.783 20.691) 23.126 11.674 ( -7.855 -5.197 12.980) 16.037 11.872 ( 3.127 3.839 -29.303) 29.718 12.075 ( -4.862 -3.747 -21.134) 22.008 12.712 ( 5.264 -6.571 3.568) 9.145 12.799 ( 2.867 -5.844 9.388) 11.424 12.816 ( 7.390 -9.283 -1.518) 11.962 12.954 ( -1.795 3.517 11.085) 11.767 13.084 ( -2.518 -3.206 -10.964) 11.697 13.144 ( -3.526 3.944 3.507) 6.347 13.196 ( -3.616 -2.157 -4.091) 5.871 13.331 ( -4.159 -2.545 -6.823) 8.386 13.520 ( -1.422 -9.491 11.558) 15.023 13.699 ( 2.288 -12.074 -4.371) 13.043 13.732 ( -13.428 -11.154 11.705) 21.017 13.907 ( -7.677 -12.699 -4.477) 15.500 14.376 ( 3.863 -1.572 12.968) 13.622 14.506 ( 0.848 0.452 3.197) 3.338 14.584 ( -1.648 0.768 0.797) 1.985 14.778 ( -2.246 -5.844 -9.391) 11.287 14.900 ( 1.611 -1.080 -6.130) 6.430 15.086 ( 2.183 -0.116 -11.989) 12.187 15.264 ( -15.986 -16.180 2.423) 22.874 15.318 ( -10.174 -10.792 -2.245) 15.001 15.434 ( 2.937 3.926 9.693) 10.863 15.592 ( 0.287 -1.650 6.416) 6.631 15.679 ( 4.207 3.126 -5.731) 7.766 15.726 ( 3.363 1.607 -8.062) 8.882 16.030 ( -0.804 5.575 7.534) 9.406 16.197 ( -6.735 4.508 -7.050) 10.742 16.318 ( -2.741 4.144 10.503) 11.619 16.476 ( -11.942 5.403 -2.600) 13.363 17.073 ( 0.011 6.165 2.546) 6.670 17.175 ( -8.080 4.375 -6.648) 11.341 17.429 ( -13.431 3.223 2.548) 14.045 17.457 ( -14.019 6.697 0.795) 15.557 20.298 ( 7.363 -10.575 7.342) 14.830 20.512 ( 6.932 -7.657 -5.779) 11.836 20.662 ( -3.651 -12.190 0.717) 12.745 20.936 ( -6.887 -7.645 -17.565) 20.356 21.552 ( 6.546 -1.523 23.722) 24.656 21.811 ( -3.591 -1.037 18.796) 19.164 22.054 ( 3.317 1.788 -19.231) 19.596 22.259 ( -4.896 -0.163 -19.448) 20.055 22.823 ( 5.502 4.296 11.620) 13.555 22.972 ( 2.053 1.676 4.277) 5.032 23.081 ( -1.565 0.854 2.059) 2.724 23.244 ( -5.430 -2.290 -6.801) 8.999 ======================= Grid point 137 (54/60) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -5.853 -6.109 0.789) 8.497 1.966 ( 5.853 -6.109 0.789) 8.497 2.017 ( -7.648 -7.100 -4.207) 11.252 2.017 ( 7.648 -7.100 -4.207) 11.252 2.412 ( -2.944 1.283 5.483) 6.354 2.412 ( 2.944 1.283 5.483) 6.354 2.523 ( -1.151 -1.138 -2.701) 3.149 2.523 ( 1.151 -1.138 -2.701) 3.149 2.690 ( -7.538 -5.025 4.116) 9.950 2.690 ( 7.538 -5.025 4.116) 9.950 2.869 ( -11.192 -7.694 -8.088) 15.808 2.869 ( 11.192 -7.694 -8.088) 15.808 3.325 ( -8.337 1.515 11.054) 13.927 3.325 ( 8.337 1.515 11.054) 13.927 3.450 ( -6.591 -8.703 3.469) 11.455 3.450 ( 6.591 -8.703 3.469) 11.455 3.619 ( -10.008 -12.720 -0.875) 16.208 3.619 ( 10.008 -12.720 -0.875) 16.208 3.875 ( -5.852 -4.046 -14.682) 16.315 3.875 ( 5.852 -4.046 -14.682) 16.315 4.257 ( -7.505 -11.371 15.330) 20.509 4.257 ( 7.505 -11.371 15.330) 20.509 4.604 ( -9.991 -9.981 -16.159) 21.461 4.604 ( 9.991 -9.981 -16.159) 21.461 5.193 ( -7.014 7.105 5.756) 11.524 5.193 ( 7.014 7.105 5.756) 11.524 5.252 ( -3.636 5.241 1.937) 6.666 5.252 ( 3.636 5.241 1.937) 6.666 5.789 ( -3.500 3.755 3.286) 6.095 5.789 ( 3.500 3.755 3.286) 6.095 5.935 ( -4.123 1.293 -8.698) 9.712 5.935 ( 4.123 1.293 -8.698) 9.712 6.397 ( -0.904 1.471 10.556) 10.696 6.397 ( 0.904 1.471 10.556) 10.696 6.631 ( -2.247 2.455 -11.440) 11.914 6.631 ( 2.247 2.455 -11.440) 11.914 7.069 ( -7.089 8.476 11.394) 15.872 7.069 ( 7.089 8.476 11.394) 15.872 7.327 ( -3.463 9.332 -4.928) 11.107 7.327 ( 3.463 9.332 -4.928) 11.107 7.410 ( -4.215 5.051 0.806) 6.628 7.410 ( 4.215 5.051 0.806) 6.628 7.565 ( -3.530 6.224 -6.221) 9.481 7.565 ( 3.530 6.224 -6.221) 9.481 7.909 ( -4.817 6.900 8.838) 12.203 7.909 ( 4.817 6.900 8.838) 12.204 8.041 ( -2.717 10.082 -3.426) 10.990 8.041 ( 2.717 10.082 -3.426) 10.990 8.577 ( -2.798 10.936 5.094) 12.385 8.577 ( 2.798 10.936 5.094) 12.385 8.724 ( -8.843 4.988 -8.775) 13.419 8.724 ( 8.843 4.988 -8.775) 13.419 9.225 ( -13.160 4.034 12.333) 18.481 9.225 ( 13.160 4.034 12.333) 18.481 9.487 ( -10.455 -1.118 -11.571) 15.635 9.487 ( 10.455 -1.118 -11.571) 15.635 10.066 ( -10.651 -0.293 8.207) 13.449 10.066 ( 10.651 -0.293 8.207) 13.449 10.241 ( -11.792 -2.677 -7.052) 13.998 10.241 ( 11.792 -2.677 -7.052) 13.998 11.485 ( -9.750 1.280 16.995) 19.635 11.485 ( 9.750 1.280 16.995) 19.635 11.965 ( -5.293 1.590 -26.235) 26.811 11.965 ( 5.294 1.590 -26.235) 26.811 12.790 ( -2.791 -2.371 8.271) 9.045 12.790 ( 2.791 -2.371 8.271) 9.045 12.969 ( -5.102 -8.094 -5.242) 10.910 12.969 ( 5.102 -8.094 -5.242) 10.910 13.034 ( -6.051 -1.670 6.904) 9.331 13.034 ( 6.051 -1.670 6.904) 9.331 13.220 ( -4.982 -3.622 -6.217) 8.752 13.220 ( 4.982 -3.622 -6.217) 8.752 13.544 ( -4.460 -9.654 13.643) 17.298 13.544 ( 4.460 -9.654 13.643) 17.298 13.769 ( -4.789 -12.487 -6.073) 14.688 13.769 ( 4.789 -12.487 -6.073) 14.688 14.469 ( -3.915 1.943 7.031) 8.279 14.469 ( 3.915 1.943 7.031) 8.279 14.657 ( -7.243 -8.091 -7.935) 13.449 14.657 ( 7.243 -8.091 -7.935) 13.449 15.011 ( -8.553 -8.813 1.927) 12.431 15.011 ( 8.553 -8.813 1.927) 12.431 15.157 ( -5.109 -4.858 -8.548) 11.080 15.157 ( 5.109 -4.858 -8.548) 11.080 15.515 ( -4.439 0.300 11.831) 12.640 15.515 ( 4.439 0.300 11.831) 12.640 15.757 ( -1.585 2.060 -9.239) 9.598 15.757 ( 1.585 2.060 -9.239) 9.598 16.155 ( -9.854 4.677 5.163) 12.068 16.155 ( 9.854 4.677 5.163) 12.068 16.248 ( -9.022 4.336 -1.831) 10.176 16.248 ( 9.022 4.336 -1.831) 10.176 17.154 ( -5.282 7.055 3.116) 9.348 17.154 ( 5.282 7.055 3.116) 9.348 17.225 ( -6.139 9.180 -2.929) 11.425 17.225 ( 6.139 9.180 -2.929) 11.425 20.463 ( -7.856 -12.632 9.986) 17.916 20.463 ( 7.856 -12.632 9.986) 17.916 20.759 ( -9.316 -8.338 -17.544) 21.543 20.759 ( 9.316 -8.338 -17.544) 21.543 21.696 ( -6.831 -2.121 22.312) 23.430 21.696 ( 6.831 -2.121 22.312) 23.430 22.149 ( -5.333 1.027 -20.299) 21.012 22.149 ( 5.333 1.027 -20.299) 21.012 22.925 ( -4.429 0.901 12.493) 13.285 22.925 ( 4.429 0.901 12.493) 13.285 23.134 ( -4.836 1.308 -6.990) 8.600 23.134 ( 4.836 1.308 -6.990) 8.600 ======================= Grid point 143 (55/60) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 14.548 -1.149) 14.593 2.157 ( 0.000 19.760 -3.216) 20.020 2.286 ( 0.000 7.368 6.421) 9.774 2.401 ( 0.000 -5.408 -1.269) 5.555 2.498 ( 0.000 4.073 12.053) 12.722 2.552 ( 0.000 1.279 -1.778) 2.190 2.612 ( 0.000 -9.751 4.704) 10.826 2.616 ( 0.000 -4.289 0.901) 4.382 2.633 ( 0.000 1.514 -2.965) 3.329 2.805 ( 0.000 0.542 -5.737) 5.762 2.824 ( 0.000 -11.062 -4.813) 12.064 2.852 ( 0.000 -4.399 -6.723) 8.034 3.806 ( 0.000 17.322 3.638) 17.699 3.936 ( 0.000 20.589 11.221) 23.448 3.943 ( 0.000 19.240 -5.996) 20.153 4.089 ( 0.000 -1.014 8.451) 8.512 4.143 ( 0.000 16.399 -3.512) 16.771 4.310 ( 0.000 -1.607 8.474) 8.625 4.312 ( 0.000 2.796 -11.079) 11.426 4.439 ( 0.000 11.440 1.269) 11.510 4.444 ( 0.000 -4.945 -4.161) 6.463 4.602 ( 0.000 6.589 -10.023) 11.995 4.623 ( 0.000 3.960 2.147) 4.504 4.737 ( 0.000 -9.978 -6.447) 11.879 4.969 ( 0.000 -2.423 9.534) 9.838 5.044 ( 0.000 -15.802 14.939) 21.746 5.157 ( 0.000 3.785 -9.079) 9.836 5.391 ( 0.000 -17.893 -17.172) 24.799 5.732 ( 0.000 13.447 12.426) 18.309 5.879 ( 0.000 10.417 -2.356) 10.680 5.965 ( 0.000 -10.055 6.555) 12.003 6.033 ( 0.000 -5.172 -0.702) 5.219 6.424 ( 0.000 14.352 1.460) 14.426 6.561 ( 0.000 7.968 -10.309) 13.030 6.615 ( 0.000 -2.856 2.053) 3.518 6.672 ( 0.000 -6.997 -2.812) 7.541 6.772 ( 0.000 0.876 9.490) 9.530 6.844 ( 0.000 -5.979 8.253) 10.192 6.904 ( 0.000 1.369 -0.554) 1.477 6.969 ( 0.000 -6.613 -0.418) 6.626 7.193 ( 0.000 1.652 -4.747) 5.027 7.223 ( 0.000 -2.632 -2.319) 3.508 7.253 ( 0.000 -0.918 -7.231) 7.289 7.290 ( 0.000 -3.050 -5.489) 6.279 7.796 ( 0.000 9.363 15.225) 17.873 7.921 ( 0.000 -3.036 11.527) 11.921 7.996 ( 0.000 5.624 -2.080) 5.997 8.058 ( 0.000 -0.736 -1.981) 2.113 8.153 ( 0.000 12.058 -0.057) 12.058 8.256 ( 0.000 16.821 -10.624) 19.895 8.394 ( 0.000 -12.952 5.190) 13.953 8.599 ( 0.000 -17.602 -12.288) 21.467 9.197 ( 0.000 17.099 13.616) 21.858 9.514 ( 0.000 -15.596 15.991) 22.337 9.548 ( 0.000 19.937 -17.876) 26.777 9.912 ( 0.000 -17.744 -20.085) 26.800 10.360 ( 0.000 25.714 3.364) 25.934 10.436 ( 0.000 27.717 -3.756) 27.970 10.785 ( 0.000 -18.659 7.597) 20.146 10.897 ( 0.000 -20.342 -3.357) 20.617 11.360 ( 0.000 18.562 27.294) 33.007 11.733 ( 0.000 -19.410 17.242) 25.962 11.895 ( 0.000 4.782 -20.821) 21.364 12.033 ( 0.000 -8.614 -7.640) 11.514 12.330 ( 0.000 -0.407 2.036) 2.077 12.387 ( 0.000 -5.983 6.110) 8.551 12.420 ( 0.000 0.448 -6.611) 6.626 12.499 ( 0.000 -6.064 -4.641) 7.636 13.301 ( 0.000 3.481 -1.689) 3.870 13.347 ( 0.000 -0.559 0.801) 0.977 13.397 ( 0.000 1.892 -9.774) 9.955 13.438 ( 0.000 -1.497 -6.889) 7.050 13.775 ( 0.000 4.462 6.151) 7.599 13.844 ( 0.000 0.026 0.446) 0.447 13.848 ( 0.000 -3.327 6.585) 7.377 13.907 ( 0.000 -5.295 2.420) 5.822 14.597 ( 0.000 0.900 8.069) 8.119 14.638 ( 0.000 -2.936 10.112) 10.530 14.853 ( 0.000 2.370 -15.329) 15.511 14.920 ( 0.000 -4.090 -15.229) 15.768 15.474 ( 0.000 5.210 9.662) 10.978 15.545 ( 0.000 -1.842 8.707) 8.900 15.618 ( 0.000 5.661 -4.366) 7.149 15.668 ( 0.000 2.114 -3.250) 3.877 16.058 ( 0.000 19.247 3.663) 19.593 16.147 ( 0.000 20.531 -4.036) 20.924 16.433 ( 0.000 -19.274 6.167) 20.236 16.575 ( 0.000 -22.145 -6.379) 23.045 16.741 ( 0.000 19.249 9.892) 21.642 17.017 ( 0.000 18.110 -15.652) 23.936 17.143 ( 0.000 -21.878 9.462) 23.837 17.396 ( 0.000 -20.888 -14.139) 25.223 17.753 ( 0.000 14.274 16.698) 21.968 18.038 ( 0.000 -14.967 14.383) 20.757 18.063 ( 0.000 13.205 -11.857) 17.747 18.302 ( 0.000 -11.280 -10.107) 15.146 20.081 ( 0.000 7.524 14.956) 16.742 20.225 ( 0.000 -6.904 15.221) 16.714 20.472 ( 0.000 8.242 -20.936) 22.500 20.632 ( 0.000 -7.920 -22.240) 23.608 21.463 ( 0.000 11.863 21.329) 24.406 21.690 ( 0.000 -11.331 24.050) 26.586 21.891 ( 0.000 15.313 -18.938) 24.355 22.175 ( 0.000 -13.845 -21.646) 25.695 22.524 ( 0.000 22.507 9.745) 24.526 22.679 ( 0.000 24.429 -5.020) 24.940 22.924 ( 0.000 -18.676 11.852) 22.119 23.114 ( 0.000 -20.215 -6.125) 21.123 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -1.782 12.140 -1.176) 12.326 2.137 ( -1.873 17.068 -3.994) 17.629 2.322 ( -0.602 -3.099 2.697) 4.152 2.368 ( 0.017 -0.286 0.510) 0.585 2.460 ( -1.871 6.018 6.965) 9.393 2.515 ( -4.549 1.247 3.155) 5.675 2.610 ( -0.056 -8.793 4.286) 9.782 2.628 ( 1.653 5.379 -0.233) 5.632 2.669 ( 2.697 -3.104 -0.548) 4.149 2.756 ( -0.429 1.294 -7.327) 7.453 2.915 ( 4.191 -6.205 -0.029) 7.487 2.945 ( 7.589 -8.077 -4.483) 11.956 3.588 ( -14.054 19.023 3.537) 23.914 3.744 ( -13.919 19.734 -7.303) 25.229 3.886 ( -11.276 13.174 4.843) 18.004 3.994 ( -11.266 8.518 -4.771) 14.907 4.038 ( -7.839 -4.023 7.433) 11.527 4.201 ( -8.451 -0.432 -4.048) 9.381 4.253 ( -8.944 -10.172 1.291) 13.606 4.390 ( -5.591 -4.042 -8.843) 11.216 4.459 ( 2.640 9.327 9.108) 13.301 4.611 ( 1.200 3.368 5.181) 6.295 4.709 ( 3.216 3.861 -8.283) 9.688 4.754 ( 6.142 3.985 -5.100) 8.923 4.948 ( -1.969 -2.135 12.714) 13.042 5.088 ( 2.834 -7.658 10.145) 13.023 5.195 ( 3.060 3.666 -9.147) 10.318 5.364 ( -3.512 -9.510 -14.215) 17.460 5.691 ( -2.044 7.251 9.892) 12.434 5.844 ( -2.153 5.456 -5.308) 7.910 5.919 ( -4.026 -7.423 8.631) 12.075 6.065 ( 0.844 -1.099 -2.069) 2.490 6.415 ( -2.446 1.195 -3.956) 4.803 6.461 ( 1.579 1.705 -6.070) 6.500 6.682 ( 0.836 0.992 2.902) 3.179 6.731 ( 2.469 -0.987 0.037) 2.659 6.834 ( 7.586 6.698 3.806) 10.812 6.924 ( 5.485 3.455 0.612) 6.511 6.974 ( 5.954 -3.323 9.095) 11.367 7.065 ( 7.089 -7.845 2.122) 10.785 7.188 ( 2.483 -0.336 -0.041) 2.506 7.292 ( 4.942 -0.679 -3.070) 5.858 7.344 ( 7.306 0.191 -6.708) 9.920 7.361 ( 6.494 -3.782 -6.289) 9.800 7.819 ( 3.008 7.273 8.012) 11.231 7.952 ( -1.072 4.431 -1.793) 4.898 8.011 ( 3.886 -1.288 8.842) 9.744 8.086 ( 2.567 4.416 1.757) 5.402 8.157 ( -0.864 11.232 0.019) 11.265 8.220 ( -1.558 4.776 -0.364) 5.037 8.409 ( 1.392 -7.493 -3.919) 8.570 8.562 ( -2.673 -11.470 -14.567) 18.733 9.191 ( 0.008 14.328 15.876) 21.386 9.475 ( -3.096 -9.168 14.682) 17.584 9.563 ( 0.370 14.048 -15.139) 20.656 9.893 ( -1.852 -16.063 -20.252) 25.915 10.346 ( -1.493 23.561 2.446) 23.735 10.403 ( -2.835 25.524 -2.832) 25.837 10.742 ( -4.242 -16.866 7.649) 18.999 10.848 ( -4.339 -17.800 -1.823) 18.412 11.368 ( 0.598 16.512 24.570) 29.608 11.716 ( -1.518 -18.312 16.466) 24.674 11.874 ( -1.320 4.854 -19.897) 20.523 12.026 ( -0.954 -8.737 -10.083) 13.376 12.340 ( 1.356 -1.982 1.866) 3.041 12.438 ( 3.529 -1.508 1.110) 3.995 12.462 ( 4.120 -3.840 -1.595) 5.853 12.567 ( 6.042 -4.535 -3.256) 8.226 13.288 ( -1.257 3.442 -0.504) 3.699 13.329 ( -1.069 3.201 -2.514) 4.208 13.391 ( -0.771 -1.995 -4.777) 5.234 13.422 ( -1.124 -2.304 -6.367) 6.864 13.783 ( -0.935 3.917 6.461) 7.613 13.796 ( -1.585 -0.595 3.368) 3.770 13.877 ( 1.384 -3.873 4.244) 5.910 13.973 ( 4.387 -3.362 -2.441) 6.043 14.593 ( -0.660 0.156 10.145) 10.167 14.617 ( -2.217 -1.957 11.014) 11.404 14.851 ( -0.100 0.508 -14.724) 14.733 14.947 ( 2.432 -1.432 -17.158) 17.388 15.455 ( -1.085 4.706 8.126) 9.453 15.513 ( -5.856 4.877 3.076) 8.219 15.537 ( -13.486 10.454 1.780) 17.156 15.578 ( -2.796 2.257 -1.729) 3.988 15.933 ( -11.135 13.433 -0.130) 17.448 15.946 ( -15.376 12.315 -0.835) 19.717 16.332 ( -8.609 -16.526 5.836) 19.526 16.377 ( -18.975 -16.005 3.186) 25.027 16.606 ( -9.741 8.828 0.252) 13.149 16.795 ( -16.295 10.912 -15.732) 25.141 17.054 ( -10.094 -15.766 9.991) 21.220 17.321 ( -9.411 -12.782 -14.382) 21.419 17.634 ( -7.437 9.523 18.850) 22.390 17.938 ( -9.670 -2.058 5.994) 11.562 17.997 ( -5.701 1.749 -4.933) 7.739 18.212 ( -8.572 -10.146 -9.753) 16.479 20.090 ( 0.331 3.958 11.571) 12.233 20.289 ( 4.969 -1.327 14.460) 15.348 20.451 ( -1.038 0.906 -17.613) 17.666 20.731 ( 7.720 -4.217 -22.266) 23.941 21.453 ( -0.855 7.135 23.098) 24.189 21.754 ( 5.080 -6.506 22.672) 24.128 21.921 ( 2.459 11.378 -20.406) 23.493 22.217 ( 3.502 -10.085 -20.692) 23.283 22.595 ( 6.097 19.534 10.435) 22.971 22.759 ( 6.829 20.989 -5.051) 22.643 22.954 ( 2.596 -16.462 11.621) 20.317 23.144 ( 2.548 -17.989 -6.175) 19.189 ======================= Grid point 145 (57/60) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -4.016 11.653 -0.923) 12.360 2.088 ( -2.077 9.125 -4.678) 10.462 2.242 ( -5.231 -8.525 1.909) 10.183 2.313 ( -6.088 -8.497 -3.411) 10.996 2.457 ( 0.318 11.340 6.584) 13.117 2.498 ( 1.756 11.570 2.189) 11.905 2.601 ( -0.935 -6.355 3.642) 7.384 2.617 ( -1.293 2.585 3.346) 4.421 2.708 ( 1.998 -0.779 2.870) 3.583 2.819 ( 2.882 6.691 -6.740) 9.925 2.963 ( 0.458 -7.512 6.632) 10.031 3.099 ( 4.909 -5.792 -5.129) 9.163 3.312 ( -11.155 10.775 1.480) 15.579 3.468 ( -9.177 14.662 -8.018) 19.065 3.614 ( -12.944 9.882 2.771) 16.519 3.717 ( -16.088 15.120 -2.144) 22.182 3.772 ( -12.590 -12.604 0.646) 17.826 3.932 ( -15.341 -10.342 -9.419) 20.760 4.036 ( -12.085 -14.542 -0.921) 18.931 4.135 ( -15.370 -16.284 -8.174) 23.837 4.523 ( -3.355 4.811 18.117) 19.043 4.632 ( 1.692 4.528 12.834) 13.714 4.796 ( 3.338 7.428 5.891) 10.051 4.862 ( 3.181 6.485 -8.110) 10.860 4.918 ( 0.523 5.389 -1.871) 5.729 5.101 ( -2.573 1.089 0.704) 2.881 5.243 ( -0.786 -3.368 -7.177) 7.967 5.287 ( 0.303 0.653 -3.051) 3.135 5.676 ( 0.322 3.207 5.490) 6.367 5.801 ( -1.351 3.218 -3.848) 5.195 5.867 ( -0.333 -6.537 2.080) 6.868 6.042 ( -1.414 -1.058 -7.821) 8.018 6.423 ( 3.992 -0.129 3.709) 5.451 6.593 ( 6.656 2.312 -8.366) 10.938 6.673 ( -0.230 -2.677 0.520) 2.737 6.712 ( -3.328 0.430 -1.803) 3.809 6.965 ( -0.733 4.612 10.060) 11.091 7.045 ( 9.187 10.695 3.155) 14.447 7.142 ( 9.712 0.482 12.990) 16.226 7.213 ( 6.784 -5.398 0.968) 8.723 7.323 ( 9.991 0.130 -5.526) 11.418 7.438 ( 6.805 -1.237 -3.799) 7.891 7.470 ( 6.079 -0.143 -4.169) 7.372 7.537 ( 7.701 -3.509 -3.244) 9.064 7.869 ( 0.372 6.170 0.774) 6.230 7.930 ( -1.698 4.377 -3.979) 6.155 8.026 ( -1.094 1.362 5.318) 5.598 8.086 ( -3.551 0.835 -0.736) 3.722 8.201 ( 6.475 6.763 8.385) 12.569 8.270 ( 6.354 0.921 6.697) 9.277 8.471 ( 6.322 -5.153 -10.654) 13.417 8.562 ( 3.505 0.326 -14.583) 15.002 9.208 ( 0.679 10.437 14.963) 18.256 9.402 ( -2.646 -7.341 17.700) 19.344 9.530 ( -4.296 10.590 -13.974) 18.052 9.833 ( -3.839 -10.694 -18.758) 21.931 10.281 ( -4.874 18.935 2.591) 19.723 10.345 ( -2.570 21.079 -2.268) 21.356 10.611 ( -8.056 -13.076 8.169) 17.396 10.732 ( -6.647 -15.049 -1.793) 16.549 11.377 ( 0.268 14.380 20.830) 25.313 11.675 ( -2.300 -15.564 15.037) 21.763 11.861 ( 0.080 5.214 -21.497) 22.120 12.002 ( -0.724 -8.967 -12.939) 15.759 12.388 ( 3.150 -2.930 2.315) 4.885 12.514 ( 3.748 -0.866 -8.060) 8.931 12.566 ( 5.120 -3.687 8.232) 10.372 12.717 ( 7.490 -3.879 -3.510) 9.136 13.258 ( -1.202 4.383 2.001) 4.965 13.317 ( -0.307 3.599 -3.370) 4.940 13.369 ( -1.190 -3.446 -1.050) 3.794 13.406 ( -0.244 -2.927 -4.558) 5.422 13.695 ( -6.645 -0.525 6.081) 9.023 13.755 ( -5.372 3.844 0.796) 6.653 13.876 ( -1.962 -6.612 4.505) 8.238 14.047 ( 1.555 -1.844 -9.270) 9.579 14.500 ( -8.606 0.005 22.598) 24.181 14.581 ( -1.552 -1.024 11.184) 11.338 14.843 ( -1.183 2.018 -13.875) 14.070 15.012 ( 3.273 0.567 -21.289) 21.547 15.172 ( -15.320 19.012 2.727) 24.568 15.260 ( -16.958 16.218 -4.897) 23.970 15.453 ( -1.387 0.184 5.503) 5.678 15.501 ( -3.271 -0.643 -0.056) 3.335 15.637 ( -14.824 -8.668 -0.289) 17.174 15.661 ( -13.112 -7.627 -2.566) 15.384 15.905 ( -21.376 -4.961 10.512) 24.332 16.118 ( -13.410 -5.224 -4.300) 15.020 16.333 ( -9.108 4.548 11.135) 15.087 16.612 ( -9.016 5.613 -2.362) 10.880 16.739 ( -11.727 -4.574 -2.222) 12.782 16.989 ( -19.948 -7.673 -15.805) 26.582 17.524 ( -7.533 6.216 15.604) 18.408 17.678 ( -11.304 -5.416 13.651) 18.532 17.828 ( -11.872 2.414 -8.069) 14.556 17.988 ( -10.825 -7.804 -9.931) 16.635 20.092 ( 0.133 1.067 6.845) 6.929 20.339 ( -0.411 5.427 -7.553) 9.309 20.484 ( 3.648 -8.135 6.711) 11.159 20.879 ( 5.176 -3.135 -21.730) 22.557 21.435 ( -0.578 2.503 25.872) 25.999 21.845 ( 2.835 -0.577 19.106) 19.323 21.977 ( 2.529 3.556 -21.286) 21.728 22.288 ( 2.599 -4.299 -19.432) 20.071 22.736 ( 6.527 13.510 11.959) 19.186 22.909 ( 6.196 12.141 -2.110) 13.793 23.015 ( 3.056 -9.300 8.320) 12.847 23.197 ( 2.032 -12.981 -6.368) 14.601 ======================= Grid point 146 (58/60) ======================= q-point: ( 0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -6.745 11.269 4.304) 13.821 2.045 ( -2.764 4.743 -6.176) 8.263 2.115 ( -6.787 -7.827 1.749) 10.506 2.176 ( -6.680 -7.717 -3.971) 10.952 2.433 ( -2.628 9.656 7.110) 12.276 2.520 ( 1.065 2.361 3.786) 4.587 2.570 ( -2.139 -2.974 -0.378) 3.683 2.585 ( -4.995 -0.568 0.582) 5.060 2.704 ( -0.687 9.407 4.188) 10.321 2.819 ( -4.516 4.125 -6.056) 8.607 2.930 ( -4.542 -1.325 0.296) 4.741 3.019 ( -4.076 -8.064 -4.511) 10.099 3.273 ( 0.539 0.980 5.653) 5.763 3.347 ( -8.871 4.206 9.440) 13.620 3.400 ( -8.681 8.327 3.856) 12.632 3.452 ( 1.083 1.204 -10.172) 10.300 3.540 ( -11.593 -3.373 -5.194) 13.143 3.691 ( -5.451 -11.329 -9.264) 15.617 3.785 ( -9.771 -17.550 -6.417) 21.087 3.869 ( -7.471 -11.881 -7.370) 15.852 4.309 ( -13.926 3.423 21.920) 26.194 4.554 ( -9.463 -3.862 20.098) 22.548 4.737 ( -12.304 5.678 -15.822) 20.831 4.928 ( 1.786 2.612 -5.472) 6.321 4.957 ( 0.510 8.145 -1.605) 8.318 5.067 ( 5.115 3.866 -2.282) 6.806 5.235 ( 2.353 -7.041 7.835) 10.793 5.350 ( 3.354 1.943 -0.135) 3.878 5.704 ( 2.452 2.929 0.434) 3.844 5.808 ( 1.305 4.740 -7.495) 8.963 5.887 ( 2.039 -2.869 1.732) 3.923 6.039 ( 0.561 0.037 -8.359) 8.378 6.522 ( 3.310 2.729 6.767) 8.012 6.550 ( -5.584 2.106 3.493) 6.916 6.656 ( -1.150 -1.591 -2.231) 2.972 6.775 ( 1.926 0.443 -9.174) 9.384 6.920 ( 0.090 -0.157 11.739) 11.740 7.188 ( 4.375 7.704 -5.972) 10.685 7.269 ( 4.819 2.048 9.748) 11.066 7.428 ( 9.799 2.999 6.723) 12.256 7.452 ( 0.112 4.393 -5.741) 7.230 7.550 ( 3.391 -2.270 -0.457) 4.106 7.581 ( 5.273 0.585 -3.225) 6.208 7.669 ( 4.703 -2.521 -4.058) 6.704 7.825 ( -3.427 2.774 0.495) 4.437 7.890 ( 0.742 1.779 -4.826) 5.197 8.043 ( 1.107 0.963 3.551) 3.842 8.073 ( 4.915 3.219 1.171) 5.991 8.377 ( 8.963 5.333 8.572) 13.500 8.445 ( 10.621 0.743 9.832) 14.492 8.627 ( 5.306 4.000 -10.435) 12.371 8.725 ( 12.496 -3.034 -12.519) 17.946 9.165 ( -3.459 4.807 7.641) 9.668 9.367 ( -8.902 7.470 -10.802) 15.866 9.437 ( 3.283 -4.149 14.399) 15.340 9.729 ( -6.568 -4.769 -9.905) 12.806 10.164 ( -5.783 13.950 4.903) 15.877 10.276 ( -4.193 15.481 -3.620) 16.442 10.420 ( -9.935 -9.063 7.564) 15.429 10.572 ( -8.665 -12.293 -4.975) 15.841 11.391 ( 1.390 12.072 18.527) 22.157 11.624 ( -2.517 -11.280 14.384) 18.451 11.871 ( 1.047 2.571 -23.288) 23.453 12.012 ( 1.460 -5.308 -19.184) 19.959 12.473 ( 5.068 -3.298 2.959) 6.732 12.594 ( 4.117 -1.045 -9.261) 10.189 12.660 ( 3.718 -2.741 10.853) 11.795 12.847 ( 4.355 -4.166 -5.137) 7.919 13.241 ( -0.948 4.379 3.110) 5.454 13.302 ( -1.312 3.790 -0.876) 4.105 13.340 ( -1.966 -1.366 1.327) 2.738 13.392 ( -3.423 0.086 -1.297) 3.661 13.526 ( -6.676 -5.477 2.071) 8.880 13.554 ( -11.771 2.833 -0.170) 12.109 13.789 ( -6.441 -9.426 4.972) 12.452 13.930 ( -14.347 -2.915 -5.485) 15.634 14.351 ( -2.012 0.974 25.203) 25.302 14.543 ( -1.773 -0.903 11.759) 11.927 14.769 ( -6.042 8.509 -6.613) 12.355 14.903 ( -12.808 6.504 -10.583) 17.843 15.004 ( -3.913 9.495 -8.608) 13.400 15.078 ( -0.372 1.502 -17.706) 17.774 15.260 ( -13.526 -17.912 0.139) 22.446 15.290 ( -12.538 -16.037 -2.441) 20.502 15.507 ( -2.290 2.689 6.045) 7.001 15.555 ( 2.732 4.178 3.412) 6.047 15.629 ( -3.288 -1.870 6.991) 7.949 15.851 ( -9.590 1.919 -11.810) 15.334 16.234 ( -9.383 3.825 13.361) 16.769 16.355 ( -1.112 -2.466 18.900) 19.093 16.513 ( -17.445 1.484 -13.087) 21.859 16.768 ( -2.110 3.313 -16.058) 16.531 17.228 ( -13.131 -0.229 11.424) 17.406 17.485 ( -15.572 2.339 -11.275) 19.366 17.600 ( -4.323 -3.496 11.912) 13.145 17.778 ( -10.474 -0.672 -3.506) 11.066 20.106 ( 1.465 -0.926 5.035) 5.325 20.347 ( 2.250 2.063 -13.684) 14.021 20.519 ( -1.115 -8.236 12.418) 14.942 20.918 ( -1.614 -3.285 -21.355) 21.666 21.447 ( 2.173 0.337 27.487) 27.575 21.864 ( -1.142 0.711 19.383) 19.430 22.020 ( 1.905 0.249 -23.005) 23.085 22.307 ( -0.924 -1.282 -19.398) 19.462 22.843 ( 3.687 7.659 13.109) 15.624 22.981 ( 0.873 0.105 8.728) 8.772 23.079 ( 2.748 2.127 -2.747) 4.430 23.215 ( -0.403 -7.800 -6.653) 10.259 ======================= Grid point 147 (59/60) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -2.868 4.959 6.833) 8.916 1.962 ( -6.291 -6.518 1.233) 9.142 1.972 ( -4.772 -0.179 -5.102) 6.988 2.047 ( -5.818 -4.847 -4.271) 8.694 2.369 ( -3.039 2.033 5.255) 6.402 2.455 ( -4.505 -3.383 5.418) 7.816 2.490 ( -2.875 -1.858 -2.144) 4.039 2.550 ( -1.207 1.758 -1.754) 2.761 2.661 ( -3.615 3.630 -0.497) 5.147 2.721 ( -1.048 3.289 -4.074) 5.340 2.828 ( -6.310 -3.771 -1.510) 7.505 2.899 ( -7.755 -9.146 -9.619) 15.373 3.219 ( 1.569 3.264 5.616) 6.682 3.251 ( -2.011 2.715 0.817) 3.475 3.345 ( -1.687 -1.911 5.268) 5.852 3.413 ( 0.304 -1.282 8.006) 8.113 3.467 ( -5.484 -8.625 -7.231) 12.520 3.598 ( 1.012 -8.668 11.005) 14.045 3.728 ( 4.220 -3.329 -14.141) 15.128 3.888 ( 2.695 -2.216 -9.286) 9.920 4.046 ( -6.619 -1.411 17.750) 18.996 4.310 ( -12.571 -6.820 15.343) 20.975 4.466 ( -11.324 4.425 -15.782) 19.922 4.684 ( -14.456 -8.463 -15.496) 22.819 5.149 ( 9.374 6.247 5.923) 12.728 5.210 ( 6.433 3.051 -0.123) 7.121 5.301 ( 2.570 -1.461 8.454) 8.956 5.383 ( -0.663 2.339 2.335) 3.370 5.771 ( 3.761 2.526 -2.023) 4.962 5.851 ( 3.110 3.088 -8.341) 9.422 5.917 ( -0.089 -0.264 0.260) 0.381 6.033 ( -1.853 0.770 -8.134) 8.378 6.452 ( -3.236 1.844 8.027) 8.849 6.489 ( -4.955 2.066 10.732) 12.000 6.637 ( -0.346 -0.637 -7.133) 7.170 6.749 ( -3.050 1.281 -9.812) 10.354 6.992 ( 6.298 0.645 9.990) 11.827 7.299 ( 7.436 4.242 -12.652) 15.276 7.375 ( 4.658 3.417 10.417) 11.911 7.417 ( -6.613 4.791 7.142) 10.849 7.471 ( -1.339 2.767 8.795) 9.316 7.602 ( 2.392 0.219 -5.781) 6.260 7.622 ( -1.052 4.572 -7.253) 8.638 7.679 ( -2.712 -0.465 -7.388) 7.884 7.859 ( 6.796 1.896 7.914) 10.602 8.020 ( 7.303 3.485 -4.439) 9.230 8.064 ( 0.853 0.657 4.561) 4.687 8.175 ( 3.265 3.537 -2.749) 5.543 8.554 ( 8.531 3.082 5.641) 10.682 8.670 ( 7.762 5.917 1.778) 9.921 8.730 ( 5.410 0.163 2.334) 5.894 8.886 ( -0.685 -1.274 -5.195) 5.393 9.171 ( -2.961 4.704 -2.388) 6.049 9.222 ( 8.053 1.242 -7.016) 10.753 9.493 ( -2.666 -0.561 6.797) 7.323 9.560 ( -7.226 -3.679 1.314) 8.214 10.066 ( -2.994 7.698 5.406) 9.871 10.189 ( -3.959 3.197 -0.040) 5.089 10.220 ( -7.710 0.159 0.925) 7.767 10.381 ( -9.229 -7.344 -7.432) 13.941 11.439 ( 3.080 7.314 16.821) 18.599 11.570 ( -2.726 -5.715 14.722) 16.026 11.915 ( 3.182 0.510 -25.509) 25.711 12.033 ( -0.249 -0.541 -27.204) 27.210 12.592 ( 5.986 -3.643 3.767) 7.956 12.701 ( 6.180 -2.635 -5.822) 8.890 12.713 ( 1.390 -2.868 9.580) 10.096 12.884 ( -0.622 -4.145 -4.933) 6.473 13.175 ( -6.673 2.392 5.207) 8.796 13.200 ( -6.775 5.229 3.998) 9.446 13.258 ( -3.102 5.246 -1.150) 6.202 13.307 ( -4.875 0.466 -0.544) 4.927 13.391 ( -1.445 -3.720 5.818) 7.055 13.505 ( 1.415 -6.217 -3.160) 7.116 13.574 ( -12.756 -5.378 8.505) 16.247 13.660 ( -7.456 -10.704 -0.345) 13.049 14.378 ( 3.154 1.831 13.914) 14.384 14.510 ( -1.070 -1.168 5.904) 6.113 14.626 ( -6.459 1.287 0.616) 6.615 14.676 ( -9.934 -1.246 -5.075) 11.224 14.897 ( -4.935 -1.315 -2.525) 5.697 14.989 ( -6.012 -6.621 -1.117) 9.013 15.114 ( -2.107 -3.976 -10.878) 11.772 15.153 ( -1.656 -1.400 -13.396) 13.571 15.495 ( 0.673 2.251 10.166) 10.434 15.544 ( -1.281 -2.496 8.490) 8.941 15.728 ( 5.841 1.477 -7.841) 9.888 15.745 ( -0.509 0.364 -10.473) 10.492 16.124 ( 1.056 3.100 5.188) 6.135 16.239 ( -6.398 0.871 -6.829) 9.398 16.378 ( -1.453 1.390 16.602) 16.723 16.569 ( -14.917 3.058 0.299) 15.230 17.157 ( 2.218 2.075 -1.472) 3.375 17.244 ( -2.639 2.731 -8.898) 9.675 17.463 ( -9.951 0.429 7.122) 12.244 17.559 ( -9.545 3.152 -0.603) 10.070 20.163 ( 4.218 -3.325 7.856) 9.517 20.407 ( -2.235 -3.035 8.953) 9.714 20.478 ( 3.318 -5.574 -13.132) 14.647 20.820 ( -7.314 -3.516 -21.408) 22.895 21.531 ( 5.624 -0.600 26.749) 27.341 21.797 ( -5.129 -0.434 22.581) 23.160 22.073 ( 3.402 0.341 -23.941) 24.183 22.254 ( -3.889 -0.212 -20.284) 20.655 22.898 ( 1.928 3.135 13.407) 13.903 22.971 ( -1.415 -1.405 12.388) 12.548 23.121 ( 1.417 3.072 -6.570) 7.390 23.188 ( -1.855 -3.346 -6.911) 7.900 ======================= Grid point 148 (60/60) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.567 -5.127 4.605) 8.267 1.830 ( 4.567 -5.127 4.605) 8.267 1.949 ( -2.420 -1.392 -6.112) 6.720 1.949 ( 2.420 -1.392 -6.112) 6.720 2.370 ( -3.462 -2.887 7.484) 8.737 2.370 ( 3.462 -2.887 7.484) 8.737 2.493 ( -2.610 -0.846 -2.920) 4.007 2.493 ( 2.610 -0.846 -2.920) 4.007 2.658 ( -3.114 -1.266 0.929) 3.488 2.658 ( 3.114 -1.266 0.929) 3.488 2.791 ( -1.709 0.339 -12.425) 12.546 2.791 ( 1.709 0.339 -12.425) 12.546 3.270 ( -2.658 -4.616 3.264) 6.247 3.270 ( 2.658 -4.616 3.264) 6.247 3.311 ( -5.098 -5.297 0.672) 7.383 3.311 ( 5.098 -5.297 0.672) 7.383 3.546 ( -7.718 2.975 13.685) 15.991 3.546 ( 7.718 2.975 13.685) 15.991 3.845 ( -3.012 -1.579 -3.562) 4.925 3.845 ( 3.012 -1.579 -3.562) 4.925 4.097 ( -5.984 -3.246 6.024) 9.090 4.097 ( 5.984 -3.246 6.024) 9.090 4.417 ( -8.513 -7.248 -16.341) 19.800 4.417 ( 8.513 -7.248 -16.341) 19.800 5.295 ( -1.134 3.006 5.174) 6.090 5.295 ( 1.134 3.006 5.174) 6.090 5.324 ( -2.944 1.896 3.146) 4.708 5.324 ( 2.945 1.896 3.146) 4.708 5.855 ( -3.870 2.245 -0.199) 4.479 5.855 ( 3.870 2.245 -0.199) 4.479 5.954 ( -4.859 0.524 -9.114) 10.342 5.954 ( 4.859 0.524 -9.114) 10.342 6.423 ( -0.702 0.897 11.238) 11.295 6.423 ( 0.702 0.897 11.238) 11.295 6.666 ( -3.194 0.985 -12.134) 12.586 6.666 ( 3.194 0.985 -12.134) 12.586 7.189 ( -11.267 3.412 13.585) 17.976 7.189 ( 11.267 3.412 13.585) 17.976 7.441 ( -1.406 2.464 8.512) 8.972 7.441 ( 1.406 2.464 8.512) 8.972 7.501 ( -7.443 3.513 -11.814) 14.398 7.501 ( 7.443 3.513 -11.814) 14.398 7.648 ( -1.528 2.275 -6.961) 7.481 7.648 ( 1.528 2.275 -6.961) 7.481 7.992 ( -4.950 2.036 9.622) 11.011 7.992 ( 4.950 2.036 9.622) 11.011 8.172 ( -3.737 3.341 -6.706) 8.373 8.172 ( 3.737 3.341 -6.706) 8.373 8.727 ( -6.160 3.711 2.244) 7.534 8.727 ( 6.160 3.711 2.244) 7.534 8.785 ( -4.612 2.087 -2.719) 5.747 8.785 ( 4.612 2.087 -2.719) 5.746 9.274 ( -11.727 0.661 9.316) 14.991 9.274 ( 11.727 0.661 9.316) 14.991 9.449 ( -8.678 -1.607 -6.086) 10.720 9.449 ( 8.678 -1.607 -6.086) 10.720 10.068 ( -3.709 0.280 5.899) 6.974 10.068 ( 3.709 0.281 5.899) 6.974 10.222 ( -4.999 0.161 -6.955) 8.567 10.222 ( 4.999 0.161 -6.955) 8.566 11.508 ( -3.271 0.745 15.536) 15.894 11.508 ( 3.271 0.745 15.536) 15.894 11.991 ( -3.463 0.810 -28.760) 28.979 11.991 ( 3.463 0.810 -28.760) 28.979 12.695 ( -3.151 -4.037 6.435) 8.224 12.695 ( 3.151 -4.037 6.435) 8.224 12.832 ( -4.665 -4.060 -5.082) 8.005 12.832 ( 4.665 -4.060 -5.082) 8.005 13.102 ( -1.905 3.986 8.445) 9.531 13.102 ( 1.905 3.986 8.445) 9.531 13.218 ( -1.150 2.274 -2.586) 3.630 13.218 ( 1.150 2.274 -2.586) 3.630 13.419 ( -3.275 -3.279 9.105) 10.217 13.419 ( 3.275 -3.279 9.105) 10.217 13.553 ( -3.259 -8.466 -3.349) 9.670 13.553 ( 3.259 -8.466 -3.349) 9.670 14.481 ( -7.036 -3.095 6.328) 9.956 14.481 ( 7.036 -3.095 6.328) 9.956 14.529 ( -2.839 -0.769 1.847) 3.473 14.529 ( 2.839 -0.769 1.847) 3.473 14.884 ( -3.000 -3.981 1.431) 5.187 14.884 ( 3.000 -3.981 1.431) 5.187 15.121 ( -1.447 -0.087 -15.330) 15.398 15.121 ( 1.447 -0.087 -15.330) 15.398 15.516 ( -1.225 -0.034 9.650) 9.727 15.516 ( 1.225 -0.034 9.650) 9.727 15.770 ( -1.751 -0.070 -12.575) 12.697 15.770 ( 1.751 -0.070 -12.575) 12.697 16.245 ( -7.507 3.620 6.376) 10.493 16.245 ( 7.507 3.620 6.376) 10.493 16.294 ( -7.630 0.446 1.900) 7.876 16.294 ( 7.630 0.446 1.900) 7.876 17.242 ( -8.396 2.289 5.228) 10.152 17.242 ( 8.396 2.289 5.228) 10.152 17.370 ( -8.734 4.539 -5.687) 11.367 17.370 ( 8.734 4.539 -5.687) 11.367 20.281 ( -6.744 -5.336 12.387) 15.080 20.281 ( 6.744 -5.336 12.387) 15.080 20.640 ( -9.230 -3.409 -21.059) 23.245 20.640 ( 9.230 -3.408 -21.059) 23.245 21.666 ( -6.904 -0.840 24.730) 25.689 21.666 ( 6.904 -0.840 24.730) 25.689 22.160 ( -4.699 0.221 -22.007) 22.504 22.160 ( 4.699 0.221 -22.007) 22.504 22.935 ( -1.786 0.214 13.127) 13.250 22.935 ( 1.786 0.214 13.127) 13.250 23.150 ( -1.614 0.387 -7.078) 7.270 23.150 ( 1.614 0.387 -7.078) 7.270 =================== 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 3/29160 10.0 1802.139 3042.289 2498.974 0.000 0.000 -0.000 3/29160 20.0 544.732 674.167 527.342 0.000 0.000 -0.000 3/29160 30.0 220.826 275.946 203.505 0.000 0.000 -0.000 3/29160 40.0 125.707 158.259 113.033 0.000 0.000 -0.000 3/29160 50.0 84.354 106.388 74.805 0.000 0.000 -0.000 3/29160 60.0 62.005 78.137 54.603 0.000 0.000 -0.000 3/29160 70.0 48.327 60.817 42.453 0.000 0.000 -0.000 3/29160 80.0 39.236 49.317 34.479 0.000 0.000 -0.000 3/29160 90.0 32.819 41.214 28.898 0.000 0.000 -0.000 3/29160 100.0 28.078 35.236 24.795 0.000 0.000 -0.000 3/29160 110.0 24.449 30.666 21.663 0.000 0.000 -0.000 3/29160 120.0 21.595 27.072 19.199 0.000 0.000 -0.000 3/29160 130.0 19.300 24.181 17.216 0.000 0.000 -0.000 3/29160 140.0 17.420 21.813 15.588 0.000 0.000 -0.000 3/29160 150.0 15.856 19.843 14.230 0.000 0.000 -0.000 3/29160 160.0 14.540 18.183 13.083 0.000 0.000 -0.000 3/29160 170.0 13.418 16.768 12.102 0.000 0.000 -0.000 3/29160 180.0 12.452 15.549 11.255 0.000 0.000 -0.000 3/29160 190.0 11.614 14.491 10.517 0.000 0.000 -0.000 3/29160 200.0 10.880 13.564 9.869 0.000 0.000 -0.000 3/29160 210.0 10.232 12.748 9.296 0.000 0.000 -0.000 3/29160 220.0 9.658 12.022 8.786 0.000 0.000 -0.000 3/29160 230.0 9.145 11.375 8.329 0.000 0.000 -0.000 3/29160 240.0 8.684 10.794 7.918 0.000 0.000 -0.000 3/29160 250.0 8.267 10.269 7.546 0.000 0.000 -0.000 3/29160 260.0 7.890 9.793 7.208 0.000 0.000 -0.000 3/29160 270.0 7.546 9.360 6.900 0.000 0.000 -0.000 3/29160 280.0 7.231 8.964 6.617 0.000 0.000 -0.000 3/29160 290.0 6.943 8.601 6.357 0.000 0.000 -0.000 3/29160 300.0 6.676 8.267 6.118 0.000 0.000 -0.000 3/29160 310.0 6.430 7.958 5.896 0.000 0.000 -0.000 3/29160 320.0 6.202 7.671 5.690 0.000 0.000 -0.000 3/29160 330.0 5.990 7.406 5.498 0.000 0.000 -0.000 3/29160 340.0 5.793 7.158 5.319 0.000 0.000 -0.000 3/29160 350.0 5.608 6.927 5.152 0.000 0.000 -0.000 3/29160 360.0 5.435 6.710 4.995 0.000 0.000 -0.000 3/29160 370.0 5.273 6.507 4.848 0.000 0.000 -0.000 3/29160 380.0 5.120 6.317 4.709 0.000 0.000 -0.000 3/29160 390.0 4.976 6.137 4.578 0.000 0.000 -0.000 3/29160 400.0 4.840 5.967 4.455 0.000 0.000 -0.000 3/29160 410.0 4.712 5.807 4.338 0.000 0.000 -0.000 3/29160 420.0 4.591 5.656 4.227 0.000 0.000 -0.000 3/29160 430.0 4.475 5.512 4.122 0.000 0.000 -0.000 3/29160 440.0 4.366 5.376 4.022 0.000 0.000 -0.000 3/29160 450.0 4.262 5.246 3.927 0.000 0.000 -0.000 3/29160 460.0 4.162 5.123 3.837 0.000 0.000 -0.000 3/29160 470.0 4.068 5.005 3.750 0.000 0.000 -0.000 3/29160 480.0 3.978 4.893 3.668 0.000 0.000 -0.000 3/29160 490.0 3.891 4.786 3.589 0.000 0.000 -0.000 3/29160 500.0 3.809 4.684 3.513 0.000 0.000 -0.000 3/29160 510.0 3.730 4.586 3.441 0.000 0.000 -0.000 3/29160 520.0 3.654 4.492 3.372 0.000 0.000 -0.000 3/29160 530.0 3.581 4.402 3.305 0.000 0.000 -0.000 3/29160 540.0 3.512 4.315 3.241 0.000 0.000 -0.000 3/29160 550.0 3.445 4.232 3.180 0.000 0.000 -0.000 3/29160 560.0 3.380 4.152 3.121 0.000 0.000 -0.000 3/29160 570.0 3.318 4.075 3.064 0.000 0.000 -0.000 3/29160 580.0 3.258 4.001 3.009 0.000 0.000 -0.000 3/29160 590.0 3.201 3.930 2.956 0.000 0.000 -0.000 3/29160 600.0 3.145 3.861 2.905 0.000 0.000 -0.000 3/29160 610.0 3.091 3.795 2.856 0.000 0.000 -0.000 3/29160 620.0 3.040 3.731 2.808 0.000 0.000 -0.000 3/29160 630.0 2.989 3.669 2.762 0.000 0.000 -0.000 3/29160 640.0 2.941 3.609 2.718 0.000 0.000 -0.000 3/29160 650.0 2.894 3.551 2.675 0.000 0.000 -0.000 3/29160 660.0 2.849 3.495 2.633 0.000 0.000 -0.000 3/29160 670.0 2.805 3.441 2.593 0.000 0.000 -0.000 3/29160 680.0 2.762 3.388 2.553 0.000 0.000 -0.000 3/29160 690.0 2.721 3.338 2.515 0.000 0.000 -0.000 3/29160 700.0 2.681 3.288 2.478 0.000 0.000 -0.000 3/29160 710.0 2.642 3.240 2.443 0.000 0.000 -0.000 3/29160 720.0 2.604 3.194 2.408 0.000 0.000 -0.000 3/29160 730.0 2.567 3.148 2.374 0.000 0.000 -0.000 3/29160 740.0 2.532 3.104 2.341 0.000 0.000 -0.000 3/29160 750.0 2.497 3.062 2.309 0.000 0.000 -0.000 3/29160 760.0 2.463 3.020 2.278 0.000 0.000 -0.000 3/29160 770.0 2.430 2.980 2.248 0.000 0.000 -0.000 3/29160 780.0 2.399 2.940 2.219 0.000 0.000 -0.000 3/29160 790.0 2.367 2.902 2.190 0.000 0.000 -0.000 3/29160 800.0 2.337 2.865 2.162 0.000 0.000 -0.000 3/29160 810.0 2.308 2.828 2.135 0.000 0.000 -0.000 3/29160 820.0 2.279 2.793 2.108 0.000 0.000 -0.000 3/29160 830.0 2.251 2.758 2.083 0.000 0.000 -0.000 3/29160 840.0 2.223 2.725 2.057 0.000 0.000 -0.000 3/29160 850.0 2.197 2.692 2.033 0.000 0.000 -0.000 3/29160 860.0 2.171 2.660 2.009 0.000 0.000 -0.000 3/29160 870.0 2.145 2.628 1.985 0.000 0.000 -0.000 3/29160 880.0 2.120 2.598 1.962 0.000 0.000 -0.000 3/29160 890.0 2.096 2.568 1.940 0.000 0.000 -0.000 3/29160 900.0 2.072 2.539 1.918 0.000 0.000 -0.000 3/29160 910.0 2.049 2.510 1.897 0.000 0.000 -0.000 3/29160 920.0 2.026 2.482 1.876 0.000 0.000 -0.000 3/29160 930.0 2.004 2.455 1.855 0.000 0.000 -0.000 3/29160 940.0 1.983 2.429 1.835 0.000 0.000 -0.000 3/29160 950.0 1.961 2.403 1.816 0.000 0.000 -0.000 3/29160 960.0 1.941 2.377 1.796 0.000 0.000 -0.000 3/29160 970.0 1.920 2.352 1.778 0.000 0.000 -0.000 3/29160 980.0 1.900 2.328 1.759 0.000 0.000 -0.000 3/29160 990.0 1.881 2.304 1.741 0.000 0.000 -0.000 3/29160 1000.0 1.862 2.280 1.724 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1093.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:25:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|