----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:30:49]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.374330592335438 0.000000000000000 0.000000000000000 b 0.000000000000000 6.352284160000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): *1 Rb 0.59469365008803 0.93474732440807 0.69571973746371 85.468 2 Rb 0.40530634991197 0.43474732440808 0.80428026253629 85.468 3 Rb 0.40530634991197 0.06525267559193 0.30428026253629 85.468 4 Rb 0.59469365008803 0.56525267559193 0.19571973746371 85.468 *5 Rb 0.97203066805343 0.78780467515811 0.64119069155744 85.468 6 Rb 0.02796933194657 0.28780467515811 0.85880930844256 85.468 7 Rb 0.02796933194657 0.21219532484189 0.35880930844256 85.468 8 Rb 0.97203066805343 0.71219532484189 0.14119069155744 85.468 *9 Rb 0.75192787104457 0.14110672799275 0.00774647301195 85.468 10 Rb 0.24807212895543 0.64110672799275 0.49225352698805 85.468 11 Rb 0.24807212895543 0.85889327200725 0.99225352698805 85.468 12 Rb 0.75192787104457 0.35889327200725 0.50774647301195 85.468 *13 S 0.66948280348178 0.64389431987752 0.97028513005013 32.065 14 S 0.33051719651822 0.14389431987752 0.52971486994987 32.065 15 S 0.33051719651822 0.35610568012248 0.02971486994987 32.065 16 S 0.66948280348178 0.85610568012248 0.47028513005013 32.065 *17 S 0.91025009194813 0.78728333877447 0.87793133469973 32.065 18 S 0.08974990805187 0.28728333877447 0.62206866530027 32.065 19 S 0.08974990805187 0.21271666122553 0.12206866530027 32.065 20 S 0.91025009194813 0.71271666122553 0.37793133469973 32.065 *21 S 0.71391818100163 0.42200003311923 0.76468491775449 32.065 22 S 0.28608181899837 0.92200003311923 0.73531508224551 32.065 23 S 0.28608181899837 0.57799996688077 0.23531508224551 32.065 24 S 0.71391818100163 0.07799996688077 0.26468491775449 32.065 *25 B 0.76608934749724 0.61571885931948 0.87175318872605 10.811 26 B 0.23391065250276 0.11571885931948 0.62824681127395 10.811 27 B 0.23391065250276 0.38428114068052 0.12824681127395 10.811 28 B 0.76608934749724 0.88428114068052 0.37175318872605 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.374330592335438 0.000000000000000 0.000000000000000 b 0.000000000000000 6.352284160000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): *1 Rb 0.59469365008803 0.93474732440807 0.69571973746371 85.468 > 1 2 Rb 0.40530634991197 0.43474732440808 0.80428026253629 85.468 > 2 3 Rb 0.40530634991197 0.06525267559193 0.30428026253629 85.468 > 3 4 Rb 0.59469365008803 0.56525267559193 0.19571973746371 85.468 > 4 *5 Rb 0.97203066805343 0.78780467515811 0.64119069155744 85.468 > 5 6 Rb 0.02796933194657 0.28780467515811 0.85880930844256 85.468 > 6 7 Rb 0.02796933194657 0.21219532484189 0.35880930844256 85.468 > 7 8 Rb 0.97203066805343 0.71219532484189 0.14119069155744 85.468 > 8 *9 Rb 0.75192787104457 0.14110672799275 0.00774647301195 85.468 > 9 10 Rb 0.24807212895543 0.64110672799275 0.49225352698805 85.468 > 10 11 Rb 0.24807212895543 0.85889327200725 0.99225352698805 85.468 > 11 12 Rb 0.75192787104457 0.35889327200725 0.50774647301195 85.468 > 12 *13 S 0.66948280348178 0.64389431987752 0.97028513005013 32.065 > 13 14 S 0.33051719651822 0.14389431987752 0.52971486994987 32.065 > 14 15 S 0.33051719651822 0.35610568012248 0.02971486994987 32.065 > 15 16 S 0.66948280348178 0.85610568012248 0.47028513005013 32.065 > 16 *17 S 0.91025009194813 0.78728333877447 0.87793133469973 32.065 > 17 18 S 0.08974990805187 0.28728333877447 0.62206866530027 32.065 > 18 19 S 0.08974990805187 0.21271666122553 0.12206866530027 32.065 > 19 20 S 0.91025009194813 0.71271666122553 0.37793133469973 32.065 > 20 *21 S 0.71391818100163 0.42200003311923 0.76468491775449 32.065 > 21 22 S 0.28608181899837 0.92200003311923 0.73531508224551 32.065 > 22 23 S 0.28608181899837 0.57799996688077 0.23531508224551 32.065 > 23 24 S 0.71391818100163 0.07799996688077 0.26468491775449 32.065 > 24 *25 B 0.76608934749724 0.61571885931948 0.87175318872605 10.811 > 25 26 B 0.23391065250276 0.11571885931948 0.62824681127395 10.811 > 26 27 B 0.23391065250276 0.38428114068052 0.12824681127395 10.811 > 27 28 B 0.76608934749724 0.88428114068052 0.37175318872605 10.811 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.748661184670876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.704568320000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): *1 Rb 0.29734682504402 0.46737366220404 0.69571973746371 85.468 > 1 2 Rb 0.79734682504402 0.46737366220404 0.69571973746371 85.468 > 1 3 Rb 0.29734682504402 0.96737366220404 0.69571973746371 85.468 > 1 4 Rb 0.79734682504402 0.96737366220404 0.69571973746371 85.468 > 1 5 Rb 0.20265317495598 0.21737366220404 0.80428026253629 85.468 > 2 6 Rb 0.70265317495598 0.21737366220404 0.80428026253629 85.468 > 2 7 Rb 0.20265317495598 0.71737366220404 0.80428026253629 85.468 > 2 8 Rb 0.70265317495598 0.71737366220404 0.80428026253629 85.468 > 2 9 Rb 0.20265317495598 0.03262633779596 0.30428026253629 85.468 > 3 10 Rb 0.70265317495598 0.03262633779596 0.30428026253629 85.468 > 3 11 Rb 0.20265317495598 0.53262633779596 0.30428026253629 85.468 > 3 12 Rb 0.70265317495598 0.53262633779596 0.30428026253629 85.468 > 3 13 Rb 0.29734682504402 0.28262633779596 0.19571973746371 85.468 > 4 14 Rb 0.79734682504402 0.28262633779596 0.19571973746371 85.468 > 4 15 Rb 0.29734682504402 0.78262633779596 0.19571973746371 85.468 > 4 16 Rb 0.79734682504402 0.78262633779596 0.19571973746371 85.468 > 4 *17 Rb 0.48601533402671 0.39390233757906 0.64119069155744 85.468 > 5 18 Rb 0.98601533402672 0.39390233757906 0.64119069155744 85.468 > 5 19 Rb 0.48601533402671 0.89390233757906 0.64119069155744 85.468 > 5 20 Rb 0.98601533402672 0.89390233757906 0.64119069155744 85.468 > 5 21 Rb 0.01398466597328 0.14390233757906 0.85880930844256 85.468 > 6 22 Rb 0.51398466597328 0.14390233757906 0.85880930844256 85.468 > 6 23 Rb 0.01398466597328 0.64390233757906 0.85880930844256 85.468 > 6 24 Rb 0.51398466597328 0.64390233757906 0.85880930844256 85.468 > 6 25 Rb 0.01398466597328 0.10609766242094 0.35880930844256 85.468 > 7 26 Rb 0.51398466597328 0.10609766242094 0.35880930844256 85.468 > 7 27 Rb 0.01398466597328 0.60609766242094 0.35880930844256 85.468 > 7 28 Rb 0.51398466597328 0.60609766242094 0.35880930844256 85.468 > 7 29 Rb 0.48601533402671 0.35609766242094 0.14119069155744 85.468 > 8 30 Rb 0.98601533402672 0.35609766242094 0.14119069155744 85.468 > 8 31 Rb 0.48601533402671 0.85609766242094 0.14119069155744 85.468 > 8 32 Rb 0.98601533402672 0.85609766242094 0.14119069155744 85.468 > 8 *33 Rb 0.37596393552229 0.07055336399637 0.00774647301195 85.468 > 9 34 Rb 0.87596393552229 0.07055336399637 0.00774647301195 85.468 > 9 35 Rb 0.37596393552229 0.57055336399637 0.00774647301195 85.468 > 9 36 Rb 0.87596393552229 0.57055336399637 0.00774647301195 85.468 > 9 37 Rb 0.12403606447771 0.32055336399637 0.49225352698805 85.468 > 10 38 Rb 0.62403606447771 0.32055336399637 0.49225352698805 85.468 > 10 39 Rb 0.12403606447771 0.82055336399637 0.49225352698805 85.468 > 10 40 Rb 0.62403606447771 0.82055336399637 0.49225352698805 85.468 > 10 41 Rb 0.12403606447771 0.42944663600363 0.99225352698805 85.468 > 11 42 Rb 0.62403606447771 0.42944663600363 0.99225352698805 85.468 > 11 43 Rb 0.12403606447771 0.92944663600363 0.99225352698805 85.468 > 11 44 Rb 0.62403606447771 0.92944663600363 0.99225352698805 85.468 > 11 45 Rb 0.37596393552229 0.17944663600363 0.50774647301195 85.468 > 12 46 Rb 0.87596393552229 0.17944663600363 0.50774647301195 85.468 > 12 47 Rb 0.37596393552229 0.67944663600363 0.50774647301195 85.468 > 12 48 Rb 0.87596393552229 0.67944663600363 0.50774647301195 85.468 > 12 *49 S 0.33474140174089 0.32194715993876 0.97028513005013 32.065 > 13 50 S 0.83474140174089 0.32194715993876 0.97028513005013 32.065 > 13 51 S 0.33474140174089 0.82194715993876 0.97028513005013 32.065 > 13 52 S 0.83474140174089 0.82194715993876 0.97028513005013 32.065 > 13 53 S 0.16525859825911 0.07194715993876 0.52971486994987 32.065 > 14 54 S 0.66525859825911 0.07194715993876 0.52971486994987 32.065 > 14 55 S 0.16525859825911 0.57194715993876 0.52971486994987 32.065 > 14 56 S 0.66525859825911 0.57194715993876 0.52971486994987 32.065 > 14 57 S 0.16525859825911 0.17805284006124 0.02971486994987 32.065 > 15 58 S 0.66525859825911 0.17805284006124 0.02971486994987 32.065 > 15 59 S 0.16525859825911 0.67805284006124 0.02971486994987 32.065 > 15 60 S 0.66525859825911 0.67805284006124 0.02971486994987 32.065 > 15 61 S 0.33474140174089 0.42805284006124 0.47028513005013 32.065 > 16 62 S 0.83474140174089 0.42805284006124 0.47028513005013 32.065 > 16 63 S 0.33474140174089 0.92805284006124 0.47028513005013 32.065 > 16 64 S 0.83474140174089 0.92805284006124 0.47028513005013 32.065 > 16 *65 S 0.45512504597406 0.39364166938723 0.87793133469973 32.065 > 17 66 S 0.95512504597406 0.39364166938723 0.87793133469973 32.065 > 17 67 S 0.45512504597406 0.89364166938723 0.87793133469973 32.065 > 17 68 S 0.95512504597406 0.89364166938723 0.87793133469973 32.065 > 17 69 S 0.04487495402594 0.14364166938723 0.62206866530027 32.065 > 18 70 S 0.54487495402594 0.14364166938723 0.62206866530027 32.065 > 18 71 S 0.04487495402594 0.64364166938723 0.62206866530027 32.065 > 18 72 S 0.54487495402594 0.64364166938723 0.62206866530027 32.065 > 18 73 S 0.04487495402594 0.10635833061277 0.12206866530027 32.065 > 19 74 S 0.54487495402594 0.10635833061277 0.12206866530027 32.065 > 19 75 S 0.04487495402594 0.60635833061277 0.12206866530027 32.065 > 19 76 S 0.54487495402594 0.60635833061277 0.12206866530027 32.065 > 19 77 S 0.45512504597406 0.35635833061277 0.37793133469973 32.065 > 20 78 S 0.95512504597406 0.35635833061277 0.37793133469973 32.065 > 20 79 S 0.45512504597406 0.85635833061277 0.37793133469973 32.065 > 20 80 S 0.95512504597406 0.85635833061277 0.37793133469973 32.065 > 20 *81 S 0.35695909050081 0.21100001655962 0.76468491775449 32.065 > 21 82 S 0.85695909050081 0.21100001655962 0.76468491775449 32.065 > 21 83 S 0.35695909050081 0.71100001655962 0.76468491775449 32.065 > 21 84 S 0.85695909050081 0.71100001655962 0.76468491775449 32.065 > 21 85 S 0.14304090949919 0.46100001655962 0.73531508224551 32.065 > 22 86 S 0.64304090949919 0.46100001655962 0.73531508224551 32.065 > 22 87 S 0.14304090949919 0.96100001655962 0.73531508224551 32.065 > 22 88 S 0.64304090949919 0.96100001655962 0.73531508224551 32.065 > 22 89 S 0.14304090949919 0.28899998344038 0.23531508224551 32.065 > 23 90 S 0.64304090949919 0.28899998344038 0.23531508224551 32.065 > 23 91 S 0.14304090949919 0.78899998344038 0.23531508224551 32.065 > 23 92 S 0.64304090949919 0.78899998344038 0.23531508224551 32.065 > 23 93 S 0.35695909050081 0.03899998344039 0.26468491775449 32.065 > 24 94 S 0.85695909050081 0.03899998344039 0.26468491775449 32.065 > 24 95 S 0.35695909050081 0.53899998344039 0.26468491775449 32.065 > 24 96 S 0.85695909050081 0.53899998344039 0.26468491775449 32.065 > 24 *97 B 0.38304467374862 0.30785942965974 0.87175318872605 10.811 > 25 98 B 0.88304467374862 0.30785942965974 0.87175318872605 10.811 > 25 99 B 0.38304467374862 0.80785942965974 0.87175318872605 10.811 > 25 100 B 0.88304467374862 0.80785942965974 0.87175318872605 10.811 > 25 101 B 0.11695532625138 0.05785942965974 0.62824681127395 10.811 > 26 102 B 0.61695532625138 0.05785942965974 0.62824681127395 10.811 > 26 103 B 0.11695532625138 0.55785942965974 0.62824681127395 10.811 > 26 104 B 0.61695532625138 0.55785942965974 0.62824681127395 10.811 > 26 105 B 0.11695532625138 0.19214057034026 0.12824681127395 10.811 > 27 106 B 0.61695532625138 0.19214057034026 0.12824681127395 10.811 > 27 107 B 0.11695532625138 0.69214057034026 0.12824681127395 10.811 > 27 108 B 0.61695532625138 0.69214057034026 0.12824681127395 10.811 > 27 109 B 0.38304467374862 0.44214057034026 0.37175318872605 10.811 > 28 110 B 0.88304467374862 0.44214057034026 0.37175318872605 10.811 > 28 111 B 0.38304467374862 0.94214057034026 0.37175318872605 10.811 > 28 112 B 0.88304467374862 0.94214057034026 0.37175318872605 10.811 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4584763 0.0000000 -0.1615123 0.0000000 3.3646453 0.0000000 -0.1615122 0.0000000 3.3804985 -------------------------- Born effective charges -------------------------- 1 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 2 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 3 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 4 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 5 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 6 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 7 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 8 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 9 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 10 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 11 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 12 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 13 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 14 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 15 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 16 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 17 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 18 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 19 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 20 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 21 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 22 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 23 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 24 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 25 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 26 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 27 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 28 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.034 Solver_block: 200 / 880 - Time: 0.956 Solver_block: 300 / 880 - Time: 0.952 Solver_block: 400 / 880 - Time: 0.948 Solver_block: 500 / 880 - Time: 0.937 Solver_block: 600 / 880 - Time: 0.961 Solver_block: 700 / 880 - Time: 0.958 Solver_block: 800 / 880 - Time: 0.947 Solver_block: 880 / 880 - Time: 0.783 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.652 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:31:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:31:36]------------------------- 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: 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.374330592335438 0.000000000000000 0.000000000000000 b 0.000000000000000 6.352284160000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): 1 Rb 0.59469365008803 0.93474732440807 0.69571973746371 85.468 2 Rb 0.40530634991197 0.43474732440808 0.80428026253629 85.468 3 Rb 0.40530634991197 0.06525267559193 0.30428026253629 85.468 4 Rb 0.59469365008803 0.56525267559193 0.19571973746371 85.468 5 Rb 0.97203066805343 0.78780467515811 0.64119069155744 85.468 6 Rb 0.02796933194657 0.28780467515811 0.85880930844256 85.468 7 Rb 0.02796933194657 0.21219532484189 0.35880930844256 85.468 8 Rb 0.97203066805343 0.71219532484189 0.14119069155744 85.468 9 Rb 0.75192787104457 0.14110672799275 0.00774647301195 85.468 10 Rb 0.24807212895543 0.64110672799275 0.49225352698805 85.468 11 Rb 0.24807212895543 0.85889327200725 0.99225352698805 85.468 12 Rb 0.75192787104457 0.35889327200725 0.50774647301195 85.468 13 S 0.66948280348178 0.64389431987752 0.97028513005013 32.065 14 S 0.33051719651822 0.14389431987752 0.52971486994987 32.065 15 S 0.33051719651822 0.35610568012248 0.02971486994987 32.065 16 S 0.66948280348178 0.85610568012248 0.47028513005013 32.065 17 S 0.91025009194813 0.78728333877447 0.87793133469973 32.065 18 S 0.08974990805187 0.28728333877447 0.62206866530027 32.065 19 S 0.08974990805187 0.21271666122553 0.12206866530027 32.065 20 S 0.91025009194813 0.71271666122553 0.37793133469973 32.065 21 S 0.71391818100163 0.42200003311923 0.76468491775449 32.065 22 S 0.28608181899837 0.92200003311923 0.73531508224551 32.065 23 S 0.28608181899837 0.57799996688077 0.23531508224551 32.065 24 S 0.71391818100163 0.07799996688077 0.26468491775449 32.065 25 B 0.76608934749724 0.61571885931948 0.87175318872605 10.811 26 B 0.23391065250276 0.11571885931948 0.62824681127395 10.811 27 B 0.23391065250276 0.38428114068052 0.12824681127395 10.811 28 B 0.76608934749724 0.88428114068052 0.37175318872605 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.748661184670876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.704568320000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): 1 Rb 0.29734682504402 0.46737366220404 0.69571973746371 85.468 > 1 2 Rb 0.79734682504402 0.46737366220404 0.69571973746371 85.468 > 1 3 Rb 0.29734682504402 0.96737366220404 0.69571973746371 85.468 > 1 4 Rb 0.79734682504402 0.96737366220404 0.69571973746371 85.468 > 1 5 Rb 0.20265317495598 0.21737366220404 0.80428026253629 85.468 > 5 6 Rb 0.70265317495598 0.21737366220404 0.80428026253629 85.468 > 5 7 Rb 0.20265317495598 0.71737366220404 0.80428026253629 85.468 > 5 8 Rb 0.70265317495598 0.71737366220404 0.80428026253629 85.468 > 5 9 Rb 0.20265317495598 0.03262633779596 0.30428026253629 85.468 > 9 10 Rb 0.70265317495598 0.03262633779596 0.30428026253629 85.468 > 9 11 Rb 0.20265317495598 0.53262633779596 0.30428026253629 85.468 > 9 12 Rb 0.70265317495598 0.53262633779596 0.30428026253629 85.468 > 9 13 Rb 0.29734682504402 0.28262633779596 0.19571973746371 85.468 > 13 14 Rb 0.79734682504402 0.28262633779596 0.19571973746371 85.468 > 13 15 Rb 0.29734682504402 0.78262633779596 0.19571973746371 85.468 > 13 16 Rb 0.79734682504402 0.78262633779596 0.19571973746371 85.468 > 13 17 Rb 0.48601533402671 0.39390233757906 0.64119069155744 85.468 > 17 18 Rb 0.98601533402672 0.39390233757906 0.64119069155744 85.468 > 17 19 Rb 0.48601533402671 0.89390233757906 0.64119069155744 85.468 > 17 20 Rb 0.98601533402672 0.89390233757906 0.64119069155744 85.468 > 17 21 Rb 0.01398466597328 0.14390233757906 0.85880930844256 85.468 > 21 22 Rb 0.51398466597328 0.14390233757906 0.85880930844256 85.468 > 21 23 Rb 0.01398466597328 0.64390233757906 0.85880930844256 85.468 > 21 24 Rb 0.51398466597328 0.64390233757906 0.85880930844256 85.468 > 21 25 Rb 0.01398466597328 0.10609766242094 0.35880930844256 85.468 > 25 26 Rb 0.51398466597328 0.10609766242094 0.35880930844256 85.468 > 25 27 Rb 0.01398466597328 0.60609766242094 0.35880930844256 85.468 > 25 28 Rb 0.51398466597328 0.60609766242094 0.35880930844256 85.468 > 25 29 Rb 0.48601533402671 0.35609766242094 0.14119069155744 85.468 > 29 30 Rb 0.98601533402672 0.35609766242094 0.14119069155744 85.468 > 29 31 Rb 0.48601533402671 0.85609766242094 0.14119069155744 85.468 > 29 32 Rb 0.98601533402672 0.85609766242094 0.14119069155744 85.468 > 29 33 Rb 0.37596393552229 0.07055336399637 0.00774647301195 85.468 > 33 34 Rb 0.87596393552229 0.07055336399637 0.00774647301195 85.468 > 33 35 Rb 0.37596393552229 0.57055336399637 0.00774647301195 85.468 > 33 36 Rb 0.87596393552229 0.57055336399637 0.00774647301195 85.468 > 33 37 Rb 0.12403606447771 0.32055336399637 0.49225352698805 85.468 > 37 38 Rb 0.62403606447771 0.32055336399637 0.49225352698805 85.468 > 37 39 Rb 0.12403606447771 0.82055336399637 0.49225352698805 85.468 > 37 40 Rb 0.62403606447771 0.82055336399637 0.49225352698805 85.468 > 37 41 Rb 0.12403606447771 0.42944663600363 0.99225352698805 85.468 > 41 42 Rb 0.62403606447771 0.42944663600363 0.99225352698805 85.468 > 41 43 Rb 0.12403606447771 0.92944663600363 0.99225352698805 85.468 > 41 44 Rb 0.62403606447771 0.92944663600363 0.99225352698805 85.468 > 41 45 Rb 0.37596393552229 0.17944663600363 0.50774647301195 85.468 > 45 46 Rb 0.87596393552229 0.17944663600363 0.50774647301195 85.468 > 45 47 Rb 0.37596393552229 0.67944663600363 0.50774647301195 85.468 > 45 48 Rb 0.87596393552229 0.67944663600363 0.50774647301195 85.468 > 45 49 S 0.33474140174089 0.32194715993876 0.97028513005013 32.065 > 49 50 S 0.83474140174089 0.32194715993876 0.97028513005013 32.065 > 49 51 S 0.33474140174089 0.82194715993876 0.97028513005013 32.065 > 49 52 S 0.83474140174089 0.82194715993876 0.97028513005013 32.065 > 49 53 S 0.16525859825911 0.07194715993876 0.52971486994987 32.065 > 53 54 S 0.66525859825911 0.07194715993876 0.52971486994987 32.065 > 53 55 S 0.16525859825911 0.57194715993876 0.52971486994987 32.065 > 53 56 S 0.66525859825911 0.57194715993876 0.52971486994987 32.065 > 53 57 S 0.16525859825911 0.17805284006124 0.02971486994987 32.065 > 57 58 S 0.66525859825911 0.17805284006124 0.02971486994987 32.065 > 57 59 S 0.16525859825911 0.67805284006124 0.02971486994987 32.065 > 57 60 S 0.66525859825911 0.67805284006124 0.02971486994987 32.065 > 57 61 S 0.33474140174089 0.42805284006124 0.47028513005013 32.065 > 61 62 S 0.83474140174089 0.42805284006124 0.47028513005013 32.065 > 61 63 S 0.33474140174089 0.92805284006124 0.47028513005013 32.065 > 61 64 S 0.83474140174089 0.92805284006124 0.47028513005013 32.065 > 61 65 S 0.45512504597406 0.39364166938723 0.87793133469973 32.065 > 65 66 S 0.95512504597406 0.39364166938723 0.87793133469973 32.065 > 65 67 S 0.45512504597406 0.89364166938723 0.87793133469973 32.065 > 65 68 S 0.95512504597406 0.89364166938723 0.87793133469973 32.065 > 65 69 S 0.04487495402594 0.14364166938723 0.62206866530027 32.065 > 69 70 S 0.54487495402594 0.14364166938723 0.62206866530027 32.065 > 69 71 S 0.04487495402594 0.64364166938723 0.62206866530027 32.065 > 69 72 S 0.54487495402594 0.64364166938723 0.62206866530027 32.065 > 69 73 S 0.04487495402594 0.10635833061277 0.12206866530027 32.065 > 73 74 S 0.54487495402594 0.10635833061277 0.12206866530027 32.065 > 73 75 S 0.04487495402594 0.60635833061277 0.12206866530027 32.065 > 73 76 S 0.54487495402594 0.60635833061277 0.12206866530027 32.065 > 73 77 S 0.45512504597406 0.35635833061277 0.37793133469973 32.065 > 77 78 S 0.95512504597406 0.35635833061277 0.37793133469973 32.065 > 77 79 S 0.45512504597406 0.85635833061277 0.37793133469973 32.065 > 77 80 S 0.95512504597406 0.85635833061277 0.37793133469973 32.065 > 77 81 S 0.35695909050081 0.21100001655962 0.76468491775449 32.065 > 81 82 S 0.85695909050081 0.21100001655962 0.76468491775449 32.065 > 81 83 S 0.35695909050081 0.71100001655962 0.76468491775449 32.065 > 81 84 S 0.85695909050081 0.71100001655962 0.76468491775449 32.065 > 81 85 S 0.14304090949919 0.46100001655962 0.73531508224551 32.065 > 85 86 S 0.64304090949919 0.46100001655962 0.73531508224551 32.065 > 85 87 S 0.14304090949919 0.96100001655962 0.73531508224551 32.065 > 85 88 S 0.64304090949919 0.96100001655962 0.73531508224551 32.065 > 85 89 S 0.14304090949919 0.28899998344038 0.23531508224551 32.065 > 89 90 S 0.64304090949919 0.28899998344038 0.23531508224551 32.065 > 89 91 S 0.14304090949919 0.78899998344038 0.23531508224551 32.065 > 89 92 S 0.64304090949919 0.78899998344038 0.23531508224551 32.065 > 89 93 S 0.35695909050081 0.03899998344039 0.26468491775449 32.065 > 93 94 S 0.85695909050081 0.03899998344039 0.26468491775449 32.065 > 93 95 S 0.35695909050081 0.53899998344039 0.26468491775449 32.065 > 93 96 S 0.85695909050081 0.53899998344039 0.26468491775449 32.065 > 93 97 B 0.38304467374862 0.30785942965974 0.87175318872605 10.811 > 97 98 B 0.88304467374862 0.30785942965974 0.87175318872605 10.811 > 97 99 B 0.38304467374862 0.80785942965974 0.87175318872605 10.811 > 97 100 B 0.88304467374862 0.80785942965974 0.87175318872605 10.811 > 97 101 B 0.11695532625138 0.05785942965974 0.62824681127395 10.811 > 101 102 B 0.61695532625138 0.05785942965974 0.62824681127395 10.811 > 101 103 B 0.11695532625138 0.55785942965974 0.62824681127395 10.811 > 101 104 B 0.61695532625138 0.55785942965974 0.62824681127395 10.811 > 101 105 B 0.11695532625138 0.19214057034026 0.12824681127395 10.811 > 105 106 B 0.61695532625138 0.19214057034026 0.12824681127395 10.811 > 105 107 B 0.11695532625138 0.69214057034026 0.12824681127395 10.811 > 105 108 B 0.61695532625138 0.69214057034026 0.12824681127395 10.811 > 105 109 B 0.38304467374862 0.44214057034026 0.37175318872605 10.811 > 109 110 B 0.88304467374862 0.44214057034026 0.37175318872605 10.811 > 109 111 B 0.38304467374862 0.94214057034026 0.37175318872605 10.811 > 109 112 B 0.88304467374862 0.94214057034026 0.37175318872605 10.811 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4584763 0.0000000 -0.1615123 0.0000000 3.3646453 0.0000000 -0.1615122 0.0000000 3.3804985 -------------------------- Born effective charges -------------------------- 1 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 2 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 3 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 4 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 5 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 6 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 7 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 8 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 9 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 10 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 11 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 12 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 13 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 14 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 15 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 16 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 17 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 18 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 19 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 20 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 21 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 22 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 23 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 24 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 25 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 26 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 27 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 28 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 17, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 33, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 81, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:32:08]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.374330592335438 0.000000000000000 0.000000000000000 b 0.000000000000000 6.352284160000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): 1 Rb 0.59469365008803 0.93474732440807 0.69571973746371 85.468 2 Rb 0.40530634991197 0.43474732440808 0.80428026253629 85.468 3 Rb 0.40530634991197 0.06525267559193 0.30428026253629 85.468 4 Rb 0.59469365008803 0.56525267559193 0.19571973746371 85.468 5 Rb 0.97203066805343 0.78780467515811 0.64119069155744 85.468 6 Rb 0.02796933194657 0.28780467515811 0.85880930844256 85.468 7 Rb 0.02796933194657 0.21219532484189 0.35880930844256 85.468 8 Rb 0.97203066805343 0.71219532484189 0.14119069155744 85.468 9 Rb 0.75192787104457 0.14110672799275 0.00774647301195 85.468 10 Rb 0.24807212895543 0.64110672799275 0.49225352698805 85.468 11 Rb 0.24807212895543 0.85889327200725 0.99225352698805 85.468 12 Rb 0.75192787104457 0.35889327200725 0.50774647301195 85.468 13 S 0.66948280348178 0.64389431987752 0.97028513005013 32.065 14 S 0.33051719651822 0.14389431987752 0.52971486994987 32.065 15 S 0.33051719651822 0.35610568012248 0.02971486994987 32.065 16 S 0.66948280348178 0.85610568012248 0.47028513005013 32.065 17 S 0.91025009194813 0.78728333877447 0.87793133469973 32.065 18 S 0.08974990805187 0.28728333877447 0.62206866530027 32.065 19 S 0.08974990805187 0.21271666122553 0.12206866530027 32.065 20 S 0.91025009194813 0.71271666122553 0.37793133469973 32.065 21 S 0.71391818100163 0.42200003311923 0.76468491775449 32.065 22 S 0.28608181899837 0.92200003311923 0.73531508224551 32.065 23 S 0.28608181899837 0.57799996688077 0.23531508224551 32.065 24 S 0.71391818100163 0.07799996688077 0.26468491775449 32.065 25 B 0.76608934749724 0.61571885931948 0.87175318872605 10.811 26 B 0.23391065250276 0.11571885931948 0.62824681127395 10.811 27 B 0.23391065250276 0.38428114068052 0.12824681127395 10.811 28 B 0.76608934749724 0.88428114068052 0.37175318872605 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.748661184670876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.704568320000000 0.000000000000000 c -3.316595085573933 0.000000000000000 12.606078348940493 Atomic positions (fractional): 1 Rb 0.29734682504402 0.46737366220404 0.69571973746371 85.468 > 1 2 Rb 0.79734682504402 0.46737366220404 0.69571973746371 85.468 > 1 3 Rb 0.29734682504402 0.96737366220404 0.69571973746371 85.468 > 1 4 Rb 0.79734682504402 0.96737366220404 0.69571973746371 85.468 > 1 5 Rb 0.20265317495598 0.21737366220404 0.80428026253629 85.468 > 5 6 Rb 0.70265317495598 0.21737366220404 0.80428026253629 85.468 > 5 7 Rb 0.20265317495598 0.71737366220404 0.80428026253629 85.468 > 5 8 Rb 0.70265317495598 0.71737366220404 0.80428026253629 85.468 > 5 9 Rb 0.20265317495598 0.03262633779596 0.30428026253629 85.468 > 9 10 Rb 0.70265317495598 0.03262633779596 0.30428026253629 85.468 > 9 11 Rb 0.20265317495598 0.53262633779596 0.30428026253629 85.468 > 9 12 Rb 0.70265317495598 0.53262633779596 0.30428026253629 85.468 > 9 13 Rb 0.29734682504402 0.28262633779596 0.19571973746371 85.468 > 13 14 Rb 0.79734682504402 0.28262633779596 0.19571973746371 85.468 > 13 15 Rb 0.29734682504402 0.78262633779596 0.19571973746371 85.468 > 13 16 Rb 0.79734682504402 0.78262633779596 0.19571973746371 85.468 > 13 17 Rb 0.48601533402671 0.39390233757906 0.64119069155744 85.468 > 17 18 Rb 0.98601533402672 0.39390233757906 0.64119069155744 85.468 > 17 19 Rb 0.48601533402671 0.89390233757906 0.64119069155744 85.468 > 17 20 Rb 0.98601533402672 0.89390233757906 0.64119069155744 85.468 > 17 21 Rb 0.01398466597328 0.14390233757906 0.85880930844256 85.468 > 21 22 Rb 0.51398466597328 0.14390233757906 0.85880930844256 85.468 > 21 23 Rb 0.01398466597328 0.64390233757906 0.85880930844256 85.468 > 21 24 Rb 0.51398466597328 0.64390233757906 0.85880930844256 85.468 > 21 25 Rb 0.01398466597328 0.10609766242094 0.35880930844256 85.468 > 25 26 Rb 0.51398466597328 0.10609766242094 0.35880930844256 85.468 > 25 27 Rb 0.01398466597328 0.60609766242094 0.35880930844256 85.468 > 25 28 Rb 0.51398466597328 0.60609766242094 0.35880930844256 85.468 > 25 29 Rb 0.48601533402671 0.35609766242094 0.14119069155744 85.468 > 29 30 Rb 0.98601533402672 0.35609766242094 0.14119069155744 85.468 > 29 31 Rb 0.48601533402671 0.85609766242094 0.14119069155744 85.468 > 29 32 Rb 0.98601533402672 0.85609766242094 0.14119069155744 85.468 > 29 33 Rb 0.37596393552229 0.07055336399637 0.00774647301195 85.468 > 33 34 Rb 0.87596393552229 0.07055336399637 0.00774647301195 85.468 > 33 35 Rb 0.37596393552229 0.57055336399637 0.00774647301195 85.468 > 33 36 Rb 0.87596393552229 0.57055336399637 0.00774647301195 85.468 > 33 37 Rb 0.12403606447771 0.32055336399637 0.49225352698805 85.468 > 37 38 Rb 0.62403606447771 0.32055336399637 0.49225352698805 85.468 > 37 39 Rb 0.12403606447771 0.82055336399637 0.49225352698805 85.468 > 37 40 Rb 0.62403606447771 0.82055336399637 0.49225352698805 85.468 > 37 41 Rb 0.12403606447771 0.42944663600363 0.99225352698805 85.468 > 41 42 Rb 0.62403606447771 0.42944663600363 0.99225352698805 85.468 > 41 43 Rb 0.12403606447771 0.92944663600363 0.99225352698805 85.468 > 41 44 Rb 0.62403606447771 0.92944663600363 0.99225352698805 85.468 > 41 45 Rb 0.37596393552229 0.17944663600363 0.50774647301195 85.468 > 45 46 Rb 0.87596393552229 0.17944663600363 0.50774647301195 85.468 > 45 47 Rb 0.37596393552229 0.67944663600363 0.50774647301195 85.468 > 45 48 Rb 0.87596393552229 0.67944663600363 0.50774647301195 85.468 > 45 49 S 0.33474140174089 0.32194715993876 0.97028513005013 32.065 > 49 50 S 0.83474140174089 0.32194715993876 0.97028513005013 32.065 > 49 51 S 0.33474140174089 0.82194715993876 0.97028513005013 32.065 > 49 52 S 0.83474140174089 0.82194715993876 0.97028513005013 32.065 > 49 53 S 0.16525859825911 0.07194715993876 0.52971486994987 32.065 > 53 54 S 0.66525859825911 0.07194715993876 0.52971486994987 32.065 > 53 55 S 0.16525859825911 0.57194715993876 0.52971486994987 32.065 > 53 56 S 0.66525859825911 0.57194715993876 0.52971486994987 32.065 > 53 57 S 0.16525859825911 0.17805284006124 0.02971486994987 32.065 > 57 58 S 0.66525859825911 0.17805284006124 0.02971486994987 32.065 > 57 59 S 0.16525859825911 0.67805284006124 0.02971486994987 32.065 > 57 60 S 0.66525859825911 0.67805284006124 0.02971486994987 32.065 > 57 61 S 0.33474140174089 0.42805284006124 0.47028513005013 32.065 > 61 62 S 0.83474140174089 0.42805284006124 0.47028513005013 32.065 > 61 63 S 0.33474140174089 0.92805284006124 0.47028513005013 32.065 > 61 64 S 0.83474140174089 0.92805284006124 0.47028513005013 32.065 > 61 65 S 0.45512504597406 0.39364166938723 0.87793133469973 32.065 > 65 66 S 0.95512504597406 0.39364166938723 0.87793133469973 32.065 > 65 67 S 0.45512504597406 0.89364166938723 0.87793133469973 32.065 > 65 68 S 0.95512504597406 0.89364166938723 0.87793133469973 32.065 > 65 69 S 0.04487495402594 0.14364166938723 0.62206866530027 32.065 > 69 70 S 0.54487495402594 0.14364166938723 0.62206866530027 32.065 > 69 71 S 0.04487495402594 0.64364166938723 0.62206866530027 32.065 > 69 72 S 0.54487495402594 0.64364166938723 0.62206866530027 32.065 > 69 73 S 0.04487495402594 0.10635833061277 0.12206866530027 32.065 > 73 74 S 0.54487495402594 0.10635833061277 0.12206866530027 32.065 > 73 75 S 0.04487495402594 0.60635833061277 0.12206866530027 32.065 > 73 76 S 0.54487495402594 0.60635833061277 0.12206866530027 32.065 > 73 77 S 0.45512504597406 0.35635833061277 0.37793133469973 32.065 > 77 78 S 0.95512504597406 0.35635833061277 0.37793133469973 32.065 > 77 79 S 0.45512504597406 0.85635833061277 0.37793133469973 32.065 > 77 80 S 0.95512504597406 0.85635833061277 0.37793133469973 32.065 > 77 81 S 0.35695909050081 0.21100001655962 0.76468491775449 32.065 > 81 82 S 0.85695909050081 0.21100001655962 0.76468491775449 32.065 > 81 83 S 0.35695909050081 0.71100001655962 0.76468491775449 32.065 > 81 84 S 0.85695909050081 0.71100001655962 0.76468491775449 32.065 > 81 85 S 0.14304090949919 0.46100001655962 0.73531508224551 32.065 > 85 86 S 0.64304090949919 0.46100001655962 0.73531508224551 32.065 > 85 87 S 0.14304090949919 0.96100001655962 0.73531508224551 32.065 > 85 88 S 0.64304090949919 0.96100001655962 0.73531508224551 32.065 > 85 89 S 0.14304090949919 0.28899998344038 0.23531508224551 32.065 > 89 90 S 0.64304090949919 0.28899998344038 0.23531508224551 32.065 > 89 91 S 0.14304090949919 0.78899998344038 0.23531508224551 32.065 > 89 92 S 0.64304090949919 0.78899998344038 0.23531508224551 32.065 > 89 93 S 0.35695909050081 0.03899998344039 0.26468491775449 32.065 > 93 94 S 0.85695909050081 0.03899998344039 0.26468491775449 32.065 > 93 95 S 0.35695909050081 0.53899998344039 0.26468491775449 32.065 > 93 96 S 0.85695909050081 0.53899998344039 0.26468491775449 32.065 > 93 97 B 0.38304467374862 0.30785942965974 0.87175318872605 10.811 > 97 98 B 0.88304467374862 0.30785942965974 0.87175318872605 10.811 > 97 99 B 0.38304467374862 0.80785942965974 0.87175318872605 10.811 > 97 100 B 0.88304467374862 0.80785942965974 0.87175318872605 10.811 > 97 101 B 0.11695532625138 0.05785942965974 0.62824681127395 10.811 > 101 102 B 0.61695532625138 0.05785942965974 0.62824681127395 10.811 > 101 103 B 0.11695532625138 0.55785942965974 0.62824681127395 10.811 > 101 104 B 0.61695532625138 0.55785942965974 0.62824681127395 10.811 > 101 105 B 0.11695532625138 0.19214057034026 0.12824681127395 10.811 > 105 106 B 0.61695532625138 0.19214057034026 0.12824681127395 10.811 > 105 107 B 0.11695532625138 0.69214057034026 0.12824681127395 10.811 > 105 108 B 0.61695532625138 0.69214057034026 0.12824681127395 10.811 > 105 109 B 0.38304467374862 0.44214057034026 0.37175318872605 10.811 > 109 110 B 0.88304467374862 0.44214057034026 0.37175318872605 10.811 > 109 111 B 0.38304467374862 0.94214057034026 0.37175318872605 10.811 > 109 112 B 0.88304467374862 0.94214057034026 0.37175318872605 10.811 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4584763 0.0000000 -0.1615123 0.0000000 3.3646453 0.0000000 -0.1615122 0.0000000 3.3804985 -------------------------- Born effective charges -------------------------- 1 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 2 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 3 Rb 1.2905631 -0.1404216 0.0538020 -0.1419581 1.1150269 -0.0839042 0.1153888 -0.0493691 1.1772180 4 Rb 1.2905631 0.1404216 0.0538020 0.1419581 1.1150269 0.0839042 0.1153888 0.0493691 1.1772180 5 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 6 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 7 Rb 1.1086339 0.0642213 -0.0220995 0.1022564 1.1204584 0.0158454 -0.0102414 -0.0112755 1.2034647 8 Rb 1.1086339 -0.0642213 -0.0220995 -0.1022564 1.1204584 -0.0158454 -0.0102414 0.0112755 1.2034647 9 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 10 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 11 Rb 1.0740904 -0.0206651 0.0032307 0.0029161 1.3874832 -0.1318863 -0.0652428 -0.0499982 1.1536871 12 Rb 1.0740904 0.0206651 0.0032307 -0.0029161 1.3874832 0.1318863 -0.0652428 0.0499982 1.1536871 13 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 14 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 15 S -1.8421752 -0.0012333 0.6892580 -0.0553329 -1.1742576 -0.0515155 0.6786691 -0.1214531 -1.8357944 16 S -1.8421752 0.0012333 0.6892580 0.0553329 -1.1742576 0.0515155 0.6786691 0.1214531 -1.8357944 17 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 18 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 19 S -2.0263849 -0.7297974 -0.0255784 -0.7266674 -1.7119478 -0.0737124 -0.0153363 -0.1032754 -1.1580603 20 S -2.0263849 0.7297974 -0.0255784 0.7266674 -1.7119478 0.0737124 -0.0153363 0.1032754 -1.1580603 21 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 22 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 23 S -1.2288869 -0.1161664 -0.0458948 -0.1297828 -1.8020541 -0.6894143 -0.0851685 -0.6948552 -1.8441346 24 S -1.2288869 0.1161664 -0.0458948 0.1297828 -1.8020541 0.6894143 -0.0851685 0.6948552 -1.8441346 25 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 26 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 27 B 1.6241597 0.8084705 -0.6527180 0.9828796 1.0652909 1.0187588 -0.6180690 1.0389287 1.3036195 28 B 1.6241597 -0.8084705 -0.6527180 -0.9828796 1.0652909 -1.0187588 -0.6180690 -1.0389287 1.3036195 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 ... [ 5 8 4 ] 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: 0.44, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 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 1.014 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 13.031 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.125 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 23.472 ( 0.000 0.000 0.000) 0.000 23.625 ( 0.000 0.000 0.000) 0.000 23.659 ( 0.000 0.000 0.000) 0.000 23.725 ( 0.000 0.000 0.000) 0.000 23.974 ( 0.000 0.000 0.000) 0.000 24.205 ( 0.000 0.000 0.000) 0.000 24.227 ( 0.000 0.000 0.000) 0.000 24.585 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 16.257 0.000 -3.992) 16.740 0.355 ( 14.912 0.000 9.223) 17.534 0.562 ( 21.951 0.000 16.927) 27.720 0.906 ( -7.935 0.000 -4.786) 9.267 1.004 ( -8.347 0.000 -3.935) 9.229 1.180 ( -5.327 0.000 -2.023) 5.698 1.192 ( -5.052 0.000 -1.260) 5.206 1.234 ( -6.169 0.000 -1.351) 6.315 1.314 ( -2.112 0.000 6.944) 7.258 1.394 ( 1.803 0.000 2.498) 3.081 1.412 ( -0.393 0.000 -1.910) 1.950 1.457 ( -0.063 0.000 -2.736) 2.737 1.491 ( -0.701 0.000 -2.618) 2.710 1.528 ( -1.994 0.000 -2.301) 3.045 1.566 ( 8.066 0.000 1.131) 8.145 1.623 ( 1.711 0.000 -1.106) 2.038 1.664 ( 4.914 0.000 -4.468) 6.642 1.714 ( -1.719 0.000 0.570) 1.811 1.745 ( 2.009 0.000 -2.043) 2.865 1.767 ( 1.872 0.000 0.955) 2.101 1.886 ( 1.097 0.000 4.116) 4.259 1.947 ( -0.644 0.000 4.438) 4.484 2.017 ( 4.297 0.000 0.070) 4.297 2.029 ( 1.674 0.000 2.650) 3.134 2.108 ( -1.896 0.000 -1.499) 2.417 2.147 ( -2.377 0.000 0.551) 2.440 2.184 ( -1.897 0.000 -0.980) 2.135 2.218 ( -3.095 0.000 -0.873) 3.215 2.257 ( -1.035 0.000 -0.805) 1.311 2.322 ( -0.317 0.000 1.905) 1.931 2.322 ( -1.652 0.000 0.554) 1.742 2.405 ( -1.498 0.000 -1.877) 2.401 2.422 ( -1.775 0.000 -0.425) 1.825 2.595 ( -11.681 0.000 -3.388) 12.163 2.604 ( 3.759 0.000 -2.616) 4.580 2.690 ( -0.686 0.000 0.072) 0.690 2.703 ( 5.068 0.000 7.406) 8.973 2.849 ( 2.584 0.000 -1.668) 3.076 2.896 ( 1.593 0.000 -0.207) 1.606 2.921 ( 2.715 0.000 -17.526) 17.735 3.043 ( -0.573 0.000 0.603) 0.832 3.125 ( -1.494 0.000 1.144) 1.881 3.175 ( 2.946 0.000 2.301) 3.738 3.197 ( -2.558 0.000 0.246) 2.570 3.528 ( 2.457 0.000 -0.395) 2.488 3.621 ( 0.148 0.000 1.241) 1.250 3.631 ( -1.415 0.000 -0.683) 1.571 3.684 ( 0.449 0.000 6.959) 6.974 3.718 ( -1.537 0.000 1.174) 1.934 3.750 ( 1.143 0.000 -1.219) 1.671 3.795 ( -0.790 0.000 -1.086) 1.342 3.860 ( 0.084 0.000 -1.123) 1.126 3.913 ( -6.277 0.000 5.650) 8.445 3.999 ( -0.789 0.000 -8.758) 8.793 4.051 ( 9.489 0.000 2.475) 9.806 4.270 ( 0.969 0.000 0.091) 0.973 4.280 ( 0.442 0.000 0.833) 0.943 4.325 ( 0.036 0.000 -1.600) 1.600 4.336 ( -0.422 0.000 0.163) 0.452 4.630 ( -7.671 0.000 11.612) 13.917 7.657 ( 0.121 0.000 -0.345) 0.365 7.660 ( -0.152 0.000 0.824) 0.838 7.673 ( 0.341 0.000 0.446) 0.561 7.676 ( -0.084 0.000 -0.532) 0.538 7.907 ( 0.426 0.000 -0.511) 0.665 7.915 ( -0.570 0.000 0.030) 0.571 7.931 ( -0.254 0.000 0.569) 0.623 7.937 ( 0.245 0.000 -0.015) 0.245 13.032 ( -0.082 0.000 0.360) 0.369 13.039 ( -0.005 0.000 -0.325) 0.325 13.043 ( -0.094 0.000 0.346) 0.359 13.048 ( 0.162 0.000 -0.413) 0.444 14.109 ( 0.179 0.000 0.058) 0.188 14.124 ( -0.045 0.000 -0.071) 0.084 14.134 ( 0.009 0.000 -0.017) 0.020 14.145 ( 0.153 0.000 0.075) 0.170 23.448 ( -1.506 0.000 -1.963) 2.474 23.613 ( -2.046 0.000 3.844) 4.354 23.731 ( 0.448 0.000 -0.190) 0.487 23.767 ( -0.967 0.000 6.422) 6.494 24.164 ( -4.602 0.000 -0.759) 4.664 24.219 ( 0.701 0.000 2.101) 2.215 24.477 ( 6.355 0.000 -26.841) 27.583 24.662 ( 5.091 0.000 3.383) 6.113 ======================= Grid point 2 (3/55) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 10.534 0.000 -5.198) 11.747 0.585 ( 1.551 0.000 2.186) 2.680 0.802 ( -1.536 0.000 7.149) 7.312 0.813 ( 5.801 0.000 0.387) 5.814 0.999 ( -6.622 0.000 1.080) 6.710 1.031 ( -9.516 0.000 -1.719) 9.670 1.084 ( 8.936 0.000 3.659) 9.656 1.092 ( -4.495 0.000 -3.097) 5.459 1.332 ( 0.090 0.000 2.049) 2.051 1.384 ( -0.971 0.000 -2.480) 2.664 1.419 ( -0.178 0.000 1.506) 1.517 1.447 ( -0.004 0.000 -0.978) 0.978 1.481 ( 1.103 0.000 -0.517) 1.218 1.506 ( -0.644 0.000 -1.655) 1.776 1.586 ( -0.622 0.000 -4.511) 4.554 1.688 ( 2.211 0.000 1.440) 2.639 1.703 ( -0.075 0.000 0.153) 0.171 1.768 ( 0.828 0.000 0.421) 0.929 1.787 ( 5.779 0.000 -1.081) 5.880 1.840 ( 3.430 0.000 2.102) 4.023 1.928 ( 1.904 0.000 1.741) 2.580 1.968 ( 2.016 0.000 2.997) 3.612 2.010 ( -2.609 0.000 -1.394) 2.958 2.071 ( -0.515 0.000 -1.252) 1.354 2.087 ( -0.592 0.000 -0.305) 0.666 2.110 ( -1.002 0.000 0.100) 1.007 2.125 ( -2.042 0.000 0.996) 2.272 2.146 ( -2.441 0.000 -0.376) 2.469 2.204 ( -5.585 0.000 -1.533) 5.791 2.258 ( -3.156 0.000 -0.931) 3.291 2.321 ( -0.809 0.000 0.800) 1.137 2.343 ( -2.578 0.000 -2.629) 3.682 2.404 ( -3.213 0.000 -0.125) 3.216 2.487 ( 5.122 0.000 1.086) 5.236 2.649 ( 2.106 0.000 -1.753) 2.740 2.685 ( -0.073 0.000 0.402) 0.409 2.789 ( 0.124 0.000 1.846) 1.850 2.874 ( 0.392 0.000 0.361) 0.533 2.888 ( 0.081 0.000 -4.544) 4.545 2.917 ( 0.864 0.000 -0.245) 0.898 3.035 ( -0.402 0.000 0.458) 0.609 3.122 ( 0.598 0.000 0.410) 0.725 3.174 ( -0.328 0.000 0.173) 0.371 3.242 ( 1.617 0.000 2.753) 3.193 3.582 ( 2.592 0.000 -1.344) 2.920 3.610 ( 0.725 0.000 -0.174) 0.746 3.620 ( -0.381 0.000 1.113) 1.177 3.671 ( -4.527 0.000 3.229) 5.560 3.725 ( 0.939 0.000 2.376) 2.554 3.750 ( -0.081 0.000 -2.095) 2.097 3.782 ( -0.352 0.000 0.110) 0.368 3.791 ( -2.675 0.000 -1.122) 2.901 3.898 ( -0.157 0.000 0.355) 0.388 3.932 ( -1.167 0.000 -4.410) 4.561 4.238 ( 4.902 0.000 1.277) 5.065 4.294 ( 0.465 0.000 0.677) 0.822 4.316 ( -0.164 0.000 -0.896) 0.911 4.319 ( 6.817 0.000 -1.779) 7.045 4.327 ( -0.556 0.000 0.986) 1.132 4.504 ( -9.048 0.000 3.474) 9.692 7.659 ( 0.086 0.000 -0.103) 0.134 7.661 ( -0.118 0.000 0.685) 0.695 7.672 ( -0.026 0.000 -0.468) 0.469 7.681 ( 0.207 0.000 0.186) 0.278 7.905 ( -0.326 0.000 -0.039) 0.328 7.912 ( 0.277 0.000 -0.391) 0.479 7.929 ( -0.137 0.000 0.252) 0.287 7.940 ( 0.106 0.000 0.026) 0.110 13.032 ( -0.064 0.000 0.310) 0.316 13.037 ( 0.008 0.000 -0.283) 0.284 13.043 ( -0.039 0.000 0.149) 0.154 13.049 ( 0.082 0.000 -0.183) 0.201 14.113 ( 0.148 0.000 0.059) 0.160 14.123 ( -0.067 0.000 -0.066) 0.094 14.135 ( 0.019 0.000 -0.019) 0.027 14.148 ( 0.085 0.000 0.037) 0.093 23.415 ( -0.727 0.000 -1.159) 1.368 23.596 ( -1.052 0.000 1.934) 2.202 23.734 ( 0.039 0.000 -0.220) 0.223 23.779 ( 0.255 0.000 0.396) 0.471 24.092 ( -2.047 0.000 -0.128) 2.051 24.242 ( 0.466 0.000 1.461) 1.533 24.463 ( 1.322 0.000 -7.006) 7.130 24.755 ( 2.350 0.000 1.796) 2.957 ======================= Grid point 5 (4/55) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.000 14.325 0.000) 14.325 0.381 ( 0.000 19.358 0.000) 19.358 0.700 ( 0.000 33.198 0.000) 33.198 0.971 ( 0.000 -1.913 0.000) 1.913 1.156 ( 0.000 -0.099 0.000) 0.099 1.260 ( 0.000 2.271 0.000) 2.271 1.305 ( 0.000 -2.728 0.000) 2.728 1.326 ( 0.000 5.759 0.000) 5.759 1.338 ( 0.000 6.224 0.000) 6.224 1.393 ( 0.000 3.826 0.000) 3.826 1.418 ( 0.000 -1.824 0.000) 1.824 1.466 ( 0.000 3.691 0.000) 3.691 1.494 ( 0.000 0.375 0.000) 0.375 1.526 ( 0.000 6.854 0.000) 6.854 1.640 ( 0.000 4.820 0.000) 4.820 1.643 ( 0.000 1.879 0.000) 1.879 1.700 ( 0.000 5.018 0.000) 5.018 1.721 ( 0.000 1.900 0.000) 1.900 1.806 ( 0.000 3.996 0.000) 3.996 1.810 ( 0.000 5.384 0.000) 5.384 1.870 ( 0.000 5.068 0.000) 5.068 1.940 ( 0.000 2.427 0.000) 2.427 1.970 ( 0.000 -2.929 0.000) 2.929 1.992 ( 0.000 3.871 0.000) 3.871 2.131 ( 0.000 -1.672 0.000) 1.672 2.172 ( 0.000 0.789 0.000) 0.789 2.202 ( 0.000 -0.138 0.000) 0.138 2.245 ( 0.000 -0.253 0.000) 0.253 2.282 ( 0.000 0.503 0.000) 0.503 2.328 ( 0.000 1.382 0.000) 1.382 2.382 ( 0.000 1.072 0.000) 1.072 2.436 ( 0.000 0.341 0.000) 0.341 2.479 ( 0.000 1.608 0.000) 1.608 2.552 ( 0.000 2.089 0.000) 2.089 2.634 ( 0.000 0.996 0.000) 0.996 2.695 ( 0.000 -0.166 0.000) 0.166 2.716 ( 0.000 -1.581 0.000) 1.581 2.733 ( 0.000 1.189 0.000) 1.189 2.810 ( 0.000 -0.600 0.000) 0.600 2.971 ( 0.000 -4.018 0.000) 4.018 3.068 ( 0.000 1.359 0.000) 1.359 3.140 ( 0.000 -0.121 0.000) 0.121 3.234 ( 0.000 -1.228 0.000) 1.228 3.281 ( 0.000 -3.250 0.000) 3.250 3.549 ( 0.000 -1.339 0.000) 1.339 3.597 ( 0.000 0.374 0.000) 0.374 3.664 ( 0.000 0.348 0.000) 0.348 3.668 ( 0.000 -5.056 0.000) 5.056 3.685 ( 0.000 -0.610 0.000) 0.610 3.697 ( 0.000 -2.576 0.000) 2.576 3.773 ( 0.000 -2.483 0.000) 2.483 3.833 ( 0.000 0.357 0.000) 0.357 3.846 ( 0.000 -0.996 0.000) 0.996 3.923 ( 0.000 -1.753 0.000) 1.753 3.971 ( 0.000 -4.358 0.000) 4.358 3.995 ( 0.000 -1.667 0.000) 1.667 4.227 ( 0.000 -1.989 0.000) 1.989 4.310 ( 0.000 1.681 0.000) 1.681 4.338 ( 0.000 -0.433 0.000) 0.433 4.996 ( 0.000 -5.495 0.000) 5.495 7.653 ( 0.000 -0.389 0.000) 0.389 7.656 ( 0.000 -0.157 0.000) 0.157 7.674 ( 0.000 0.350 0.000) 0.350 7.679 ( 0.000 0.230 0.000) 0.230 7.905 ( 0.000 0.244 0.000) 0.244 7.914 ( 0.000 -0.326 0.000) 0.326 7.939 ( 0.000 0.997 0.000) 0.997 7.957 ( 0.000 1.266 0.000) 1.266 13.028 ( 0.000 -0.129 0.000) 0.129 13.033 ( 0.000 -0.354 0.000) 0.354 13.051 ( 0.000 0.454 0.000) 0.454 13.056 ( 0.000 0.439 0.000) 0.439 14.109 ( 0.000 0.209 0.000) 0.209 14.129 ( 0.000 0.093 0.000) 0.093 14.135 ( 0.000 0.084 0.000) 0.084 14.143 ( 0.000 -0.046 0.000) 0.046 23.654 ( 0.000 2.745 0.000) 2.745 23.664 ( 0.000 1.019 0.000) 1.019 23.767 ( 0.000 3.454 0.000) 3.454 23.973 ( 0.000 -0.048 0.000) 0.048 24.042 ( 0.000 0.298 0.000) 0.298 24.172 ( 0.000 -3.244 0.000) 3.244 24.212 ( 0.000 -3.209 0.000) 3.209 24.526 ( 0.000 -5.733 0.000) 5.733 ======================= Grid point 6 (5/55) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 10.536 7.930 -4.819) 14.040 0.449 ( 8.040 10.909 5.261) 14.536 0.832 ( 0.629 13.413 4.307) 14.101 0.967 ( 8.128 14.160 1.754) 16.421 1.101 ( -5.385 6.207 0.435) 8.229 1.205 ( -8.373 2.864 1.271) 8.940 1.239 ( -4.364 -2.502 -4.641) 6.844 1.287 ( -0.597 6.887 -4.562) 8.282 1.357 ( -1.301 -0.128 1.555) 2.032 1.361 ( -0.669 3.640 3.916) 5.388 1.428 ( 2.724 3.401 3.233) 5.426 1.496 ( 0.598 3.099 -1.914) 3.691 1.531 ( 1.709 2.227 -1.258) 3.076 1.569 ( -1.603 5.970 0.906) 6.248 1.612 ( 1.328 3.407 -1.419) 3.922 1.648 ( -0.374 1.072 -2.121) 2.406 1.687 ( 4.318 3.834 -2.275) 6.206 1.737 ( 2.438 0.073 -0.561) 2.503 1.788 ( -0.787 6.255 -0.733) 6.347 1.833 ( 0.276 5.569 -0.767) 5.628 1.891 ( 1.037 0.757 3.438) 3.670 1.955 ( -0.225 0.550 3.397) 3.448 2.005 ( 1.908 -0.452 0.406) 2.002 2.048 ( 3.404 0.891 1.465) 3.812 2.114 ( -0.372 1.107 -1.438) 1.852 2.172 ( -1.620 -0.836 -0.087) 1.825 2.191 ( -3.048 3.177 -0.894) 4.493 2.215 ( -0.791 0.298 -1.514) 1.734 2.247 ( -1.081 -1.040 1.189) 1.914 2.292 ( -2.203 -1.579 0.036) 2.711 2.366 ( -4.478 2.032 0.051) 4.918 2.374 ( 1.107 1.287 -1.389) 2.194 2.471 ( -0.798 2.673 -1.385) 3.115 2.592 ( -0.522 -0.090 -1.528) 1.617 2.614 ( -7.922 1.335 -3.792) 8.884 2.671 ( -0.219 -0.871 0.535) 1.045 2.725 ( 5.474 2.269 6.895) 9.091 2.790 ( 4.421 -3.087 -2.562) 5.970 2.847 ( 2.788 -0.198 -1.569) 3.205 3.003 ( 2.190 -2.842 0.154) 3.591 3.052 ( -2.172 1.393 -0.561) 2.641 3.124 ( -1.405 0.148 1.610) 2.142 3.177 ( -2.371 -0.191 -0.002) 2.378 3.229 ( -1.666 2.498 -3.989) 4.992 3.499 ( 0.312 -2.303 -0.565) 2.391 3.593 ( -0.810 -0.941 -0.345) 1.289 3.644 ( -1.684 -1.487 0.697) 2.353 3.668 ( 1.737 -0.518 1.645) 2.448 3.681 ( -0.369 -5.184 -0.188) 5.200 3.731 ( -1.253 0.050 3.045) 3.293 3.767 ( -0.653 -2.539 -0.250) 2.634 3.862 ( 1.769 -0.757 -1.030) 2.183 3.895 ( -5.058 -1.354 3.177) 6.125 3.939 ( 0.879 -4.871 -5.129) 7.128 3.996 ( 6.568 -5.983 1.219) 8.968 4.087 ( 6.716 -6.600 3.173) 9.936 4.253 ( 2.886 -1.423 -0.200) 3.224 4.294 ( -0.555 0.055 -2.263) 2.331 4.348 ( 0.252 0.860 1.724) 1.943 4.808 ( -13.012 3.020 1.292) 13.420 7.650 ( -0.085 -0.569 0.071) 0.580 7.658 ( 0.019 -0.168 0.207) 0.267 7.677 ( 0.042 0.288 -0.352) 0.457 7.686 ( 0.319 0.638 1.122) 1.330 7.909 ( 0.150 0.339 -0.215) 0.429 7.916 ( 0.018 -0.097 -0.501) 0.510 7.938 ( 0.285 0.788 0.363) 0.914 7.953 ( -0.379 1.281 0.016) 1.336 13.027 ( -0.187 -0.248 0.162) 0.350 13.033 ( 0.051 -0.166 -0.148) 0.228 13.053 ( -0.081 0.419 -0.104) 0.440 13.059 ( 0.307 0.588 0.419) 0.785 14.111 ( 0.164 0.193 0.053) 0.259 14.127 ( -0.108 0.175 -0.077) 0.220 14.135 ( 0.031 0.071 -0.040) 0.088 14.145 ( 0.144 -0.056 0.070) 0.170 23.548 ( -5.288 5.763 -1.136) 7.904 23.669 ( -5.710 4.510 2.775) 7.788 23.730 ( 2.524 1.919 -1.437) 3.481 23.803 ( -2.811 2.166 4.332) 5.600 24.133 ( -4.150 -2.931 -0.334) 5.092 24.187 ( 0.807 -2.998 0.916) 3.237 24.347 ( 11.437 -7.849 -13.802) 19.568 24.598 ( 4.804 -6.202 2.838) 8.342 ======================= Grid point 7 (6/55) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 11.564 5.311 -4.601) 13.531 0.669 ( 6.872 1.253 7.509) 10.256 0.805 ( -1.176 7.523 -0.516) 7.632 0.946 ( -8.164 7.111 2.798) 11.182 1.041 ( -5.952 6.979 -3.606) 9.856 1.081 ( -2.196 4.216 -1.301) 4.928 1.183 ( -2.684 13.041 -1.839) 13.441 1.304 ( 4.965 4.584 2.008) 7.049 1.354 ( 2.336 3.853 -0.166) 4.509 1.377 ( 0.146 1.402 2.356) 2.746 1.434 ( -1.483 6.479 -0.240) 6.651 1.520 ( 0.569 3.576 0.647) 3.678 1.536 ( 0.451 6.545 0.508) 6.580 1.556 ( 0.194 6.012 -0.837) 6.073 1.638 ( 2.691 -0.065 -0.987) 2.867 1.668 ( 1.659 -0.456 1.133) 2.060 1.725 ( -2.819 4.724 -2.753) 6.152 1.754 ( -0.220 -1.245 -0.336) 1.308 1.810 ( 4.032 1.467 -0.244) 4.297 1.867 ( 2.624 2.898 1.656) 4.246 1.942 ( 1.356 1.800 1.010) 2.470 1.961 ( 1.257 -0.053 3.128) 3.371 2.025 ( -0.118 1.349 -1.500) 2.021 2.080 ( -1.845 2.402 -1.409) 3.340 2.093 ( 0.914 -1.180 1.765) 2.311 2.133 ( -2.039 2.362 0.655) 3.188 2.150 ( -1.475 0.928 -0.468) 1.805 2.161 ( -2.876 -0.451 -1.012) 3.082 2.232 ( -0.418 4.279 -2.070) 4.772 2.265 ( -1.149 -1.755 -1.012) 2.329 2.271 ( -3.368 1.096 -0.150) 3.545 2.382 ( -5.299 0.200 -0.729) 5.353 2.398 ( -1.024 3.479 -0.387) 3.647 2.524 ( 3.814 2.224 -0.164) 4.418 2.603 ( 0.132 -2.602 -0.471) 2.648 2.691 ( 1.408 -1.123 -0.087) 1.803 2.806 ( -0.200 0.506 0.955) 1.099 2.841 ( 2.001 -0.700 -0.557) 2.192 2.876 ( 0.480 0.277 0.174) 0.581 2.992 ( -1.374 3.608 -0.901) 3.965 3.036 ( 0.309 -0.564 0.300) 0.710 3.116 ( -0.245 0.342 0.630) 0.757 3.184 ( 1.717 -2.942 0.131) 3.409 3.209 ( -0.522 0.792 1.127) 1.473 3.537 ( 3.085 -4.199 0.203) 5.214 3.592 ( 1.091 -1.719 -1.049) 2.290 3.612 ( -1.964 -1.036 -0.789) 2.356 3.629 ( -4.288 -3.925 2.864) 6.480 3.695 ( 0.511 -2.452 -0.307) 2.524 3.733 ( 0.082 -1.203 1.128) 1.651 3.768 ( 0.330 -0.768 1.370) 1.605 3.821 ( -2.250 1.217 -0.037) 2.558 3.856 ( -1.288 -3.801 -4.333) 5.906 3.915 ( 0.364 -1.023 -0.955) 1.446 4.111 ( 2.934 -9.590 0.691) 10.053 4.182 ( 1.858 -6.372 1.876) 6.898 4.268 ( -0.464 -0.947 -1.638) 1.948 4.324 ( 1.309 -1.010 1.294) 2.100 4.400 ( 7.218 2.738 -0.408) 7.731 4.587 ( -10.683 2.876 0.837) 11.095 7.652 ( 0.244 -0.537 0.011) 0.590 7.657 ( -0.293 -0.333 0.243) 0.506 7.675 ( 0.037 0.371 -0.315) 0.488 7.695 ( 0.134 0.936 0.528) 1.083 7.899 ( -0.382 0.102 -0.244) 0.465 7.927 ( 0.895 0.566 -0.317) 1.105 7.942 ( -0.739 1.260 0.565) 1.566 7.946 ( 0.173 0.539 -0.207) 0.603 13.025 ( -0.031 -0.424 0.004) 0.425 13.032 ( -0.069 -0.039 0.006) 0.079 13.051 ( -0.046 0.415 -0.095) 0.428 13.065 ( 0.101 0.875 0.176) 0.898 14.114 ( 0.132 0.157 0.049) 0.211 14.125 ( -0.070 0.176 -0.057) 0.198 14.135 ( 0.023 0.079 -0.024) 0.085 14.147 ( 0.080 -0.073 0.035) 0.114 23.477 ( -1.533 5.479 -0.925) 5.764 23.624 ( -1.245 2.681 2.093) 3.622 23.736 ( -0.437 0.315 -0.790) 0.956 23.799 ( 0.382 2.007 0.121) 2.046 24.067 ( -1.874 -2.320 -0.066) 2.983 24.206 ( 0.440 -3.333 0.805) 3.457 24.418 ( 2.380 -3.925 -4.605) 6.502 24.684 ( 2.237 -6.802 1.463) 7.308 ======================= Grid point 10 (7/55) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 14.303 0.000) 14.303 0.752 ( 0.000 17.923 0.000) 17.923 0.958 ( 0.000 2.270 0.000) 2.270 1.167 ( 0.000 1.571 0.000) 1.571 1.189 ( 0.000 -0.089 0.000) 0.089 1.266 ( 0.000 10.585 0.000) 10.585 1.362 ( 0.000 4.007 0.000) 4.007 1.405 ( 0.000 1.362 0.000) 1.362 1.435 ( 0.000 9.343 0.000) 9.343 1.458 ( 0.000 3.645 0.000) 3.645 1.493 ( 0.000 0.272 0.000) 0.272 1.504 ( 0.000 5.800 0.000) 5.800 1.521 ( 0.000 4.258 0.000) 4.258 1.620 ( 0.000 3.078 0.000) 3.078 1.672 ( 0.000 1.758 0.000) 1.758 1.737 ( 0.000 3.695 0.000) 3.695 1.775 ( 0.000 0.239 0.000) 0.239 1.793 ( 0.000 2.884 0.000) 2.884 1.856 ( 0.000 2.936 0.000) 2.936 1.910 ( 0.000 -2.104 0.000) 2.104 1.962 ( 0.000 5.273 0.000) 5.273 1.974 ( 0.000 5.606 0.000) 5.606 2.022 ( 0.000 7.633 0.000) 7.633 2.064 ( 0.000 1.443 0.000) 1.443 2.128 ( 0.000 0.534 0.000) 0.534 2.182 ( 0.000 -0.952 0.000) 0.952 2.208 ( 0.000 2.003 0.000) 2.003 2.229 ( 0.000 -0.498 0.000) 0.498 2.300 ( 0.000 1.194 0.000) 1.194 2.382 ( 0.000 3.766 0.000) 3.766 2.416 ( 0.000 -1.385 0.000) 1.385 2.448 ( 0.000 4.899 0.000) 4.899 2.504 ( 0.000 -0.121 0.000) 0.121 2.656 ( 0.000 8.397 0.000) 8.397 2.659 ( 0.000 -3.244 0.000) 3.244 2.690 ( 0.000 0.165 0.000) 0.165 2.698 ( 0.000 6.156 0.000) 6.156 2.757 ( 0.000 -0.604 0.000) 0.604 2.815 ( 0.000 2.273 0.000) 2.273 2.878 ( 0.000 -4.965 0.000) 4.965 3.095 ( 0.000 1.253 0.000) 1.253 3.162 ( 0.000 2.748 0.000) 2.748 3.205 ( 0.000 -1.298 0.000) 1.298 3.217 ( 0.000 -2.329 0.000) 2.329 3.537 ( 0.000 -6.686 0.000) 6.686 3.539 ( 0.000 0.165 0.000) 0.165 3.586 ( 0.000 -6.639 0.000) 6.639 3.612 ( 0.000 0.553 0.000) 0.553 3.674 ( 0.000 -0.843 0.000) 0.843 3.680 ( 0.000 -0.329 0.000) 0.329 3.716 ( 0.000 -2.355 0.000) 2.355 3.801 ( 0.000 -3.738 0.000) 3.738 3.844 ( 0.000 0.006 0.000) 0.006 3.883 ( 0.000 -4.145 0.000) 4.145 3.885 ( 0.000 -1.474 0.000) 1.474 3.955 ( 0.000 -2.623 0.000) 2.623 4.191 ( 0.000 -1.241 0.000) 1.241 4.314 ( 0.000 -2.055 0.000) 2.055 4.322 ( 0.000 -0.500 0.000) 0.500 4.839 ( 0.000 -10.282 0.000) 10.282 7.646 ( 0.000 -0.153 0.000) 0.153 7.656 ( 0.000 0.140 0.000) 0.140 7.678 ( 0.000 -0.008 0.000) 0.008 7.683 ( 0.000 0.091 0.000) 0.091 7.914 ( 0.000 0.678 0.000) 0.678 7.916 ( 0.000 0.473 0.000) 0.473 7.959 ( 0.000 0.887 0.000) 0.887 7.975 ( 0.000 0.513 0.000) 0.513 13.029 ( 0.000 0.245 0.000) 0.245 13.029 ( 0.000 -0.048 0.000) 0.048 13.055 ( 0.000 -0.006 0.000) 0.006 13.061 ( 0.000 0.039 0.000) 0.039 14.114 ( 0.000 0.342 0.000) 0.342 14.131 ( 0.000 0.108 0.000) 0.108 14.137 ( 0.000 0.114 0.000) 0.114 14.141 ( 0.000 -0.091 0.000) 0.091 23.704 ( 0.000 2.821 0.000) 2.821 23.724 ( 0.000 4.123 0.000) 4.123 23.838 ( 0.000 3.428 0.000) 3.428 23.976 ( 0.000 0.451 0.000) 0.451 24.048 ( 0.000 0.071 0.000) 0.071 24.089 ( 0.000 -4.665 0.000) 4.665 24.135 ( 0.000 -4.243 0.000) 4.243 24.379 ( 0.000 -8.510 0.000) 8.510 ======================= Grid point 11 (8/55) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 4.646 12.146 -1.911) 13.144 0.730 ( -0.054 15.537 -1.567) 15.616 0.988 ( 2.324 6.927 -0.113) 7.307 1.153 ( -1.985 -0.461 -2.056) 2.895 1.172 ( -1.326 0.518 0.138) 1.430 1.262 ( -7.286 2.547 1.102) 7.797 1.343 ( 2.533 4.837 1.146) 5.579 1.387 ( -0.749 2.826 -0.166) 2.928 1.425 ( 0.098 11.413 1.674) 11.535 1.440 ( 0.739 4.085 -1.021) 4.275 1.515 ( 1.665 1.453 0.602) 2.290 1.564 ( 3.814 8.292 1.706) 9.285 1.578 ( 3.127 3.300 0.671) 4.595 1.648 ( -0.329 0.058 0.488) 0.592 1.673 ( -0.168 3.064 1.611) 3.466 1.719 ( 0.378 4.602 0.822) 4.690 1.762 ( -0.290 2.174 -1.661) 2.751 1.772 ( 0.551 3.621 -1.524) 3.967 1.870 ( -0.234 2.421 -1.420) 2.817 1.915 ( -0.029 -0.171 0.614) 0.638 1.948 ( -3.050 2.594 3.291) 5.183 1.997 ( 2.149 4.618 1.632) 5.348 2.036 ( 1.187 1.061 -1.953) 2.520 2.053 ( 1.359 4.433 -1.961) 5.034 2.109 ( 0.293 -2.017 0.600) 2.124 2.171 ( -3.445 -0.746 -1.739) 3.931 2.208 ( -0.924 2.082 0.628) 2.363 2.256 ( 2.721 1.703 0.250) 3.220 2.288 ( -2.050 2.755 1.076) 3.599 2.324 ( -2.597 7.279 -0.820) 7.772 2.372 ( -2.537 1.267 -2.122) 3.542 2.454 ( 1.665 3.929 -0.624) 4.313 2.510 ( -1.353 0.159 -0.610) 1.492 2.598 ( -1.766 1.454 -0.945) 2.475 2.646 ( -3.909 -0.384 -1.007) 4.055 2.663 ( -0.819 1.559 -1.767) 2.495 2.764 ( 1.049 1.964 -1.104) 2.485 2.810 ( 4.847 4.660 2.926) 7.333 2.853 ( 4.374 1.796 1.030) 4.840 2.897 ( 1.315 -6.039 2.822) 6.795 3.073 ( -2.274 0.902 0.002) 2.446 3.143 ( -1.632 1.927 1.149) 2.774 3.167 ( -1.092 -0.558 0.061) 1.228 3.240 ( 0.525 -0.747 -1.183) 1.494 3.476 ( -2.631 -0.085 -1.987) 3.298 3.536 ( -0.056 -6.070 -0.068) 6.070 3.571 ( -1.212 -3.810 -0.189) 4.003 3.611 ( -1.774 -1.575 -0.475) 2.419 3.668 ( 0.921 -0.149 -0.171) 0.949 3.681 ( -1.085 -3.198 1.397) 3.655 3.747 ( -0.479 -0.609 1.412) 1.611 3.828 ( 4.624 -4.430 0.243) 6.408 3.834 ( -0.556 -2.349 -0.072) 2.415 3.867 ( 0.336 -3.240 -3.353) 4.674 3.901 ( -1.288 -2.447 0.620) 2.834 4.022 ( 5.419 -2.177 1.808) 6.113 4.214 ( 2.635 -2.032 0.132) 3.330 4.278 ( -1.293 -1.462 -2.265) 2.990 4.351 ( 0.862 -0.880 2.406) 2.703 4.746 ( -8.162 -7.636 -0.681) 11.197 7.641 ( -0.189 -0.227 -0.095) 0.310 7.656 ( -0.140 0.013 0.325) 0.354 7.683 ( 0.133 0.207 -0.456) 0.518 7.692 ( 0.663 -0.077 1.094) 1.281 7.917 ( -0.043 0.502 -0.501) 0.711 7.921 ( 0.688 0.636 -0.023) 0.937 7.955 ( -0.064 0.816 0.096) 0.824 7.974 ( -0.316 0.642 0.177) 0.737 13.024 ( -0.325 -0.008 0.028) 0.327 13.034 ( 0.276 0.193 -0.122) 0.358 13.058 ( -0.086 0.051 -0.067) 0.120 13.064 ( 0.395 -0.119 0.509) 0.655 14.116 ( 0.131 0.321 0.036) 0.348 14.130 ( -0.066 0.153 -0.045) 0.172 14.137 ( 0.034 0.101 -0.057) 0.121 14.143 ( 0.119 -0.109 0.061) 0.173 23.644 ( -3.293 4.445 0.368) 5.544 23.732 ( -3.059 2.686 0.630) 4.119 23.820 ( -3.916 4.809 -0.817) 6.255 23.839 ( -1.112 2.037 1.158) 2.594 24.058 ( -3.120 -4.346 -0.018) 5.350 24.121 ( 0.562 -3.178 0.128) 3.229 24.231 ( 9.352 -4.333 -4.417) 11.214 24.441 ( 4.285 -9.043 1.528) 10.123 ======================= Grid point 12 (9/55) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 7.199 8.550 -1.709) 11.307 0.772 ( 5.410 9.902 0.581) 11.299 0.986 ( -6.640 9.091 1.036) 11.305 1.054 ( -3.185 3.152 -1.801) 4.830 1.141 ( -2.064 5.036 0.459) 5.462 1.169 ( -0.728 3.665 -0.008) 3.737 1.356 ( 0.089 0.718 -0.109) 0.732 1.392 ( 0.347 2.490 0.069) 2.515 1.445 ( 0.649 3.747 -0.154) 3.806 1.451 ( 0.497 8.117 -0.501) 8.147 1.544 ( 0.271 4.606 0.474) 4.638 1.586 ( -0.498 1.071 0.226) 1.202 1.639 ( -0.129 2.860 0.385) 2.888 1.647 ( 0.000 2.911 -1.525) 3.286 1.686 ( 3.330 2.262 2.439) 4.707 1.716 ( -0.552 5.429 0.966) 5.542 1.775 ( 1.199 4.568 -1.283) 4.894 1.814 ( 0.292 0.406 0.610) 0.788 1.843 ( -0.962 5.896 -0.730) 6.018 1.921 ( 0.592 0.500 2.091) 2.230 1.963 ( 4.535 0.480 2.830) 5.367 2.015 ( -1.576 1.816 -2.368) 3.375 2.039 ( -0.590 -0.666 2.262) 2.430 2.069 ( 0.442 -1.599 -1.576) 2.288 2.113 ( 0.507 2.089 -1.844) 2.833 2.131 ( -1.156 -0.012 0.538) 1.275 2.170 ( -1.828 5.175 -0.766) 5.541 2.234 ( -1.755 3.808 0.533) 4.227 2.297 ( -1.444 4.681 0.032) 4.899 2.301 ( 0.824 4.739 0.327) 4.821 2.340 ( 2.564 5.463 -1.655) 6.258 2.434 ( -5.174 3.944 -1.906) 6.780 2.511 ( 2.282 5.428 1.142) 5.998 2.559 ( -2.283 3.265 -1.731) 4.344 2.572 ( -1.163 -0.038 0.873) 1.455 2.646 ( 0.329 -2.006 -1.482) 2.516 2.773 ( -0.037 -1.324 -0.089) 1.327 2.881 ( 2.772 -0.034 -3.301) 4.311 2.898 ( -0.575 0.731 3.315) 3.443 2.972 ( 2.203 -1.360 3.078) 4.022 3.035 ( -0.949 1.227 0.581) 1.657 3.133 ( -0.037 1.130 1.420) 1.815 3.162 ( 0.321 0.712 -1.216) 1.446 3.226 ( -0.779 0.129 -0.683) 1.044 3.450 ( 0.207 -3.418 -0.525) 3.464 3.536 ( 0.016 -4.088 0.006) 4.088 3.554 ( -0.343 -2.842 0.478) 2.902 3.580 ( -0.959 -2.206 -0.536) 2.464 3.657 ( -1.227 -1.770 -0.385) 2.188 3.681 ( -0.440 -3.080 1.755) 3.572 3.742 ( 0.524 -2.222 0.773) 2.410 3.795 ( -1.669 -1.669 -3.868) 4.531 3.830 ( -1.235 -0.543 0.355) 1.395 3.899 ( 1.273 -0.416 -0.629) 1.480 3.935 ( 2.256 -7.694 1.056) 8.088 4.099 ( 1.544 -2.559 0.931) 3.130 4.246 ( -0.335 -1.193 -1.241) 1.754 4.283 ( 1.809 -3.141 1.384) 3.880 4.407 ( 5.676 -1.832 0.153) 5.966 4.567 ( -9.286 -4.581 -0.464) 10.365 7.642 ( 0.241 -0.375 -0.089) 0.455 7.652 ( -0.355 -0.022 0.277) 0.451 7.684 ( 0.141 0.341 -0.316) 0.486 7.705 ( 0.185 -0.076 0.569) 0.603 7.909 ( -0.297 0.828 -0.294) 0.927 7.938 ( 0.772 0.511 0.157) 0.939 7.958 ( 0.281 0.594 -0.673) 0.940 7.964 ( -0.705 0.848 0.674) 1.293 13.020 ( -0.095 -0.067 -0.037) 0.122 13.036 ( 0.011 0.304 -0.059) 0.310 13.056 ( -0.054 0.068 -0.027) 0.091 13.073 ( 0.187 -0.148 0.275) 0.364 14.119 ( 0.098 0.276 0.030) 0.294 14.129 ( -0.053 0.202 -0.034) 0.212 14.137 ( 0.027 0.102 -0.027) 0.109 14.145 ( 0.064 -0.144 0.029) 0.160 23.594 ( -1.561 5.771 -0.371) 5.990 23.688 ( -1.009 3.373 2.277) 4.193 23.747 ( -2.224 0.789 -1.742) 2.933 23.852 ( 0.438 2.905 -0.249) 2.949 24.012 ( -1.177 -2.739 0.142) 2.985 24.134 ( 0.405 -3.331 0.179) 3.360 24.332 ( 2.886 -4.453 -1.656) 5.558 24.513 ( 1.998 -9.789 0.728) 10.017 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 12.527 0.000) 12.527 1.026 ( 0.000 3.682 0.000) 3.682 1.052 ( 0.000 10.973 0.000) 10.973 1.148 ( 0.000 -1.126 0.000) 1.126 1.209 ( 0.000 2.040 0.000) 2.040 1.293 ( 0.000 -4.016 0.000) 4.016 1.393 ( 0.000 0.010 0.000) 0.010 1.431 ( 0.000 3.708 0.000) 3.708 1.502 ( 0.000 1.701 0.000) 1.701 1.505 ( 0.000 1.047 0.000) 1.047 1.551 ( 0.000 1.753 0.000) 1.753 1.630 ( 0.000 0.495 0.000) 0.495 1.660 ( 0.000 6.475 0.000) 6.475 1.696 ( 0.000 -0.667 0.000) 0.667 1.732 ( 0.000 3.109 0.000) 3.109 1.746 ( 0.000 4.107 0.000) 4.107 1.776 ( 0.000 -2.019 0.000) 2.019 1.813 ( 0.000 2.618 0.000) 2.618 1.894 ( 0.000 0.493 0.000) 0.493 1.899 ( 0.000 0.058 0.000) 0.058 2.012 ( 0.000 0.578 0.000) 0.578 2.040 ( 0.000 -0.643 0.000) 0.643 2.080 ( 0.000 2.021 0.000) 2.021 2.126 ( 0.000 -0.976 0.000) 0.976 2.152 ( 0.000 3.834 0.000) 3.834 2.195 ( 0.000 5.659 0.000) 5.659 2.238 ( 0.000 0.871 0.000) 0.871 2.271 ( 0.000 1.259 0.000) 1.259 2.346 ( 0.000 4.878 0.000) 4.878 2.391 ( 0.000 -0.619 0.000) 0.619 2.439 ( 0.000 0.655 0.000) 0.655 2.456 ( 0.000 -3.384 0.000) 3.384 2.518 ( 0.000 1.732 0.000) 1.732 2.606 ( 0.000 -2.033 0.000) 2.033 2.703 ( 0.000 0.118 0.000) 0.118 2.724 ( 0.000 -2.194 0.000) 2.194 2.797 ( 0.000 -0.773 0.000) 0.773 2.829 ( 0.000 2.675 0.000) 2.675 2.857 ( 0.000 8.483 0.000) 8.483 2.882 ( 0.000 5.697 0.000) 5.697 3.123 ( 0.000 2.044 0.000) 2.044 3.176 ( 0.000 -0.414 0.000) 0.414 3.229 ( 0.000 3.845 0.000) 3.845 3.269 ( 0.000 5.833 0.000) 5.833 3.418 ( 0.000 -4.844 0.000) 4.844 3.442 ( 0.000 -5.490 0.000) 5.490 3.583 ( 0.000 3.160 0.000) 3.160 3.621 ( 0.000 -0.042 0.000) 0.042 3.660 ( 0.000 -0.301 0.000) 0.301 3.663 ( 0.000 -2.355 0.000) 2.355 3.687 ( 0.000 -0.136 0.000) 0.136 3.713 ( 0.000 -4.490 0.000) 4.490 3.750 ( 0.000 -6.262 0.000) 6.262 3.854 ( 0.000 -3.668 0.000) 3.668 3.879 ( 0.000 1.120 0.000) 1.120 3.894 ( 0.000 -1.880 0.000) 1.880 4.206 ( 0.000 3.548 0.000) 3.548 4.271 ( 0.000 -1.801 0.000) 1.801 4.295 ( 0.000 -1.810 0.000) 1.810 4.605 ( 0.000 -12.984 0.000) 12.984 7.648 ( 0.000 0.363 0.000) 0.363 7.662 ( 0.000 0.464 0.000) 0.464 7.673 ( 0.000 -0.510 0.000) 0.510 7.681 ( 0.000 -0.265 0.000) 0.265 7.928 ( 0.000 0.606 0.000) 0.606 7.928 ( 0.000 0.593 0.000) 0.593 7.971 ( 0.000 0.389 0.000) 0.389 7.978 ( 0.000 -0.067 0.000) 0.067 13.032 ( 0.000 0.281 0.000) 0.281 13.036 ( 0.000 0.466 0.000) 0.466 13.051 ( 0.000 -0.431 0.000) 0.431 13.057 ( 0.000 -0.377 0.000) 0.377 14.122 ( 0.000 0.368 0.000) 0.368 14.132 ( 0.000 -0.062 0.000) 0.062 14.139 ( 0.000 0.073 0.000) 0.073 14.140 ( 0.000 -0.050 0.000) 0.050 23.766 ( 0.000 3.228 0.000) 3.228 23.801 ( 0.000 3.138 0.000) 3.138 23.896 ( 0.000 2.553 0.000) 2.553 23.990 ( 0.000 0.774 0.000) 0.774 23.996 ( 0.000 -3.598 0.000) 3.598 24.037 ( 0.000 -2.747 0.000) 2.747 24.078 ( 0.000 -0.312 0.000) 0.312 24.215 ( 0.000 -7.556 0.000) 7.556 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 2.583 12.300 -0.407) 12.575 1.010 ( -2.072 11.637 -2.967) 12.187 1.094 ( 4.650 2.622 0.968) 5.425 1.133 ( -0.628 0.508 -1.857) 2.025 1.209 ( -0.296 1.328 0.258) 1.385 1.284 ( -1.493 -2.228 0.292) 2.698 1.355 ( -3.180 1.566 1.505) 3.851 1.439 ( -0.160 3.369 -0.247) 3.382 1.480 ( -0.941 0.042 -0.731) 1.193 1.533 ( 1.001 0.130 -0.298) 1.052 1.558 ( 2.380 3.493 0.219) 4.232 1.611 ( -2.599 0.258 0.832) 2.741 1.671 ( -1.044 -1.337 -2.151) 2.739 1.693 ( 1.826 3.813 0.172) 4.231 1.745 ( -0.991 2.326 1.196) 2.797 1.778 ( 0.903 1.450 1.787) 2.472 1.795 ( 4.290 3.581 2.552) 6.143 1.842 ( 2.671 0.569 0.737) 2.829 1.884 ( -0.747 0.725 -0.100) 1.046 1.902 ( -0.055 0.279 -1.593) 1.618 1.954 ( -4.559 -0.420 1.144) 4.720 2.004 ( -2.294 -3.982 -2.308) 5.142 2.088 ( 1.952 2.194 0.681) 3.015 2.115 ( -2.619 4.205 1.640) 5.218 2.134 ( 0.768 2.928 -3.824) 4.877 2.200 ( -1.490 2.450 0.956) 3.022 2.227 ( -3.052 -0.083 1.665) 3.478 2.306 ( 4.122 2.058 0.451) 4.629 2.355 ( 0.256 3.164 -0.169) 3.179 2.383 ( 0.116 3.302 -0.866) 3.415 2.448 ( -0.379 -2.022 -0.826) 2.217 2.475 ( 3.654 1.278 -1.353) 4.100 2.511 ( -0.872 0.993 1.177) 1.770 2.608 ( -0.240 -2.544 -0.870) 2.699 2.665 ( -2.027 2.971 1.927) 4.080 2.745 ( -0.247 -3.885 -0.359) 3.909 2.759 ( -2.231 7.307 -4.156) 8.697 2.836 ( 2.714 3.838 0.890) 4.784 2.888 ( 3.400 1.836 0.892) 3.966 2.952 ( 2.566 3.709 3.061) 5.450 3.098 ( -2.040 2.238 -0.261) 3.040 3.155 ( -1.532 -0.557 0.097) 1.633 3.201 ( -1.849 3.964 0.393) 4.391 3.267 ( -0.667 3.726 -0.224) 3.791 3.428 ( -0.195 -3.789 0.757) 3.869 3.440 ( 1.149 -3.819 -1.019) 4.117 3.544 ( -2.301 2.284 0.392) 3.266 3.581 ( -4.632 -2.546 -1.510) 5.497 3.647 ( 0.035 -0.588 -0.710) 0.923 3.653 ( -0.509 -1.447 -0.895) 1.776 3.715 ( 1.858 -2.376 2.180) 3.721 3.749 ( 1.320 -2.695 0.188) 3.007 3.780 ( 2.105 -3.273 0.260) 3.900 3.799 ( -1.941 -3.920 -2.803) 5.196 3.887 ( 1.306 1.079 0.238) 1.711 3.978 ( 4.882 -2.405 1.381) 5.615 4.207 ( 0.206 2.116 0.043) 2.126 4.250 ( -0.963 -0.846 -1.038) 1.649 4.313 ( 0.712 -2.564 1.615) 3.113 4.549 ( -5.018 -11.502 -0.752) 12.572 7.644 ( -0.215 0.525 -0.094) 0.575 7.661 ( -0.201 0.431 0.296) 0.560 7.681 ( 0.396 -0.595 -0.018) 0.715 7.684 ( 0.371 -0.455 0.252) 0.639 7.929 ( 0.073 0.615 -0.210) 0.654 7.934 ( 0.460 0.485 0.176) 0.691 7.968 ( -0.121 0.460 -0.137) 0.495 7.979 ( -0.120 -0.043 0.096) 0.159 13.028 ( -0.263 0.417 -0.021) 0.493 13.040 ( 0.251 0.345 -0.140) 0.449 13.054 ( 0.120 -0.468 0.281) 0.559 13.056 ( 0.034 -0.472 0.077) 0.479 14.123 ( 0.098 0.350 0.019) 0.364 14.132 ( 0.002 -0.012 -0.019) 0.022 14.139 ( 0.023 0.068 -0.046) 0.086 14.141 ( 0.068 -0.091 0.043) 0.121 23.724 ( -2.515 3.528 -0.022) 4.333 23.778 ( -2.856 1.541 -0.871) 3.360 23.861 ( -4.946 1.401 0.931) 5.225 23.909 ( -1.900 2.222 -0.200) 2.930 23.987 ( -0.552 -1.609 0.741) 1.855 24.070 ( 1.031 -2.082 1.141) 2.588 24.168 ( 6.659 -2.024 -1.845) 7.200 24.270 ( 4.041 -7.653 -0.254) 8.658 ======================= Grid point 17 (12/55) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 4.604 10.979 -1.163) 11.962 0.986 ( 2.412 10.835 -1.248) 11.170 1.099 ( -0.914 2.762 -1.257) 3.169 1.147 ( -5.139 6.186 1.367) 8.158 1.199 ( 1.889 -0.067 -0.128) 1.895 1.245 ( -1.462 3.240 0.801) 3.643 1.339 ( 2.278 -0.974 -0.441) 2.517 1.421 ( -2.167 -0.256 -0.222) 2.194 1.466 ( 0.423 -0.012 -0.286) 0.511 1.509 ( -4.559 -2.289 1.601) 5.347 1.574 ( 1.804 0.175 0.032) 1.813 1.629 ( -0.650 -0.164 0.063) 0.673 1.660 ( 3.995 2.483 1.193) 4.852 1.727 ( -1.204 1.604 1.413) 2.453 1.728 ( 0.324 4.316 -3.538) 5.590 1.787 ( 0.917 3.392 -0.534) 3.554 1.833 ( -2.533 1.111 0.627) 2.835 1.852 ( -0.029 1.698 0.901) 1.922 1.879 ( -1.108 -2.932 0.460) 3.167 1.916 ( 0.461 -1.593 -0.183) 1.668 1.962 ( 5.503 1.482 1.669) 5.938 1.982 ( -0.461 -1.191 -0.340) 1.322 2.043 ( -2.134 0.325 -2.195) 3.079 2.090 ( -2.208 2.794 -1.271) 3.782 2.108 ( -1.913 -1.303 2.161) 3.166 2.201 ( 1.671 5.283 0.029) 5.541 2.240 ( 1.336 -1.092 1.425) 2.238 2.319 ( -1.736 4.254 -1.499) 4.832 2.361 ( 0.889 1.476 0.741) 1.875 2.381 ( -0.507 3.940 -0.762) 4.045 2.443 ( 0.340 1.355 -0.595) 1.518 2.506 ( -0.144 0.162 0.747) 0.778 2.536 ( 1.390 0.631 -0.155) 1.534 2.608 ( 2.347 0.856 -1.808) 3.084 2.643 ( -1.427 5.848 1.410) 6.183 2.690 ( -2.021 5.705 -0.950) 6.127 2.760 ( 0.091 -3.512 0.239) 3.521 2.867 ( 0.101 7.564 -0.580) 7.587 2.944 ( 1.737 3.455 0.003) 3.867 3.006 ( 1.380 -1.063 2.665) 3.183 3.066 ( -0.951 2.507 -0.081) 2.683 3.128 ( -0.962 -1.597 -0.379) 1.903 3.198 ( 1.448 3.321 0.671) 3.684 3.242 ( -1.681 2.075 -0.441) 2.707 3.412 ( -0.943 -0.794 -0.693) 1.414 3.461 ( 0.428 -3.199 -0.117) 3.230 3.516 ( -0.707 -0.602 0.286) 0.971 3.529 ( 0.052 -2.846 -0.119) 2.849 3.613 ( -1.778 -2.623 -0.788) 3.265 3.637 ( -1.449 -1.728 -0.413) 2.293 3.707 ( -0.305 -0.830 -0.035) 0.885 3.765 ( 0.015 -1.824 -0.857) 2.015 3.804 ( 1.130 -2.152 0.626) 2.511 3.817 ( 0.764 -3.784 1.097) 4.013 3.912 ( 1.220 2.139 -0.563) 2.526 4.056 ( 2.032 -2.585 0.515) 3.329 4.222 ( 1.041 -1.633 0.313) 1.962 4.234 ( -0.403 0.059 -0.190) 0.449 4.343 ( 2.449 -4.186 -0.104) 4.851 4.434 ( -5.713 -7.940 -0.221) 9.785 7.642 ( 0.053 0.513 -0.033) 0.517 7.658 ( -0.199 0.486 0.190) 0.558 7.685 ( 0.211 -0.219 -0.310) 0.435 7.693 ( 0.129 -1.045 0.396) 1.124 7.927 ( -0.094 0.892 -0.147) 0.909 7.944 ( 0.388 0.121 0.274) 0.490 7.968 ( 0.198 0.362 -0.521) 0.664 7.974 ( -0.362 0.188 0.356) 0.541 13.024 ( -0.092 0.530 -0.039) 0.539 13.042 ( 0.068 0.285 -0.087) 0.305 13.054 ( -0.045 -0.200 0.022) 0.207 13.061 ( 0.125 -0.912 0.210) 0.944 14.125 ( 0.070 0.316 0.015) 0.324 14.132 ( -0.015 0.071 -0.015) 0.074 14.139 ( 0.028 0.063 -0.020) 0.072 14.142 ( 0.034 -0.157 0.019) 0.162 23.689 ( -1.091 3.631 -0.056) 3.792 23.734 ( -0.731 0.942 0.757) 1.412 23.776 ( -3.000 2.208 -1.012) 3.859 23.873 ( -1.320 -1.550 -0.299) 2.058 24.002 ( 0.684 2.418 0.985) 2.700 24.091 ( 0.543 -1.081 0.148) 1.219 24.253 ( 2.450 -3.323 -0.444) 4.152 24.329 ( 1.825 -8.179 -0.294) 8.385 ======================= Grid point 20 (13/55) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 -6.014 0.000) 6.014 1.024 ( 0.000 6.014 0.000) 6.014 1.146 ( 0.000 -0.094 0.000) 0.094 1.146 ( 0.000 0.094 0.000) 0.094 1.226 ( 0.000 -1.091 0.000) 1.091 1.226 ( 0.000 1.091 0.000) 1.091 1.449 ( 0.000 -2.373 0.000) 2.373 1.449 ( 0.000 2.373 0.000) 2.373 1.523 ( 0.000 -1.342 0.000) 1.342 1.523 ( 0.000 1.342 0.000) 1.342 1.600 ( 0.000 -2.951 0.000) 2.951 1.600 ( 0.000 2.951 0.000) 2.951 1.659 ( 0.000 -2.145 0.000) 2.145 1.659 ( 0.000 2.145 0.000) 2.145 1.799 ( 0.000 -0.875 0.000) 0.875 1.799 ( 0.000 0.875 0.000) 0.875 1.801 ( 0.000 -2.915 0.000) 2.915 1.801 ( 0.000 2.915 0.000) 2.915 1.899 ( 0.000 -0.049 0.000) 0.049 1.899 ( 0.000 0.049 0.000) 0.049 2.008 ( 0.000 -0.558 0.000) 0.558 2.008 ( 0.000 0.558 0.000) 0.558 2.112 ( 0.000 -0.748 0.000) 0.748 2.112 ( 0.000 0.748 0.000) 0.748 2.236 ( 0.000 -1.662 0.000) 1.662 2.236 ( 0.000 1.662 0.000) 1.662 2.269 ( 0.000 -0.773 0.000) 0.773 2.269 ( 0.000 0.773 0.000) 0.773 2.385 ( 0.000 -1.535 0.000) 1.535 2.385 ( 0.000 1.535 0.000) 1.535 2.437 ( 0.000 -2.109 0.000) 2.109 2.437 ( 0.000 2.109 0.000) 2.109 2.561 ( 0.000 -2.798 0.000) 2.798 2.561 ( 0.000 2.798 0.000) 2.798 2.690 ( 0.000 -0.397 0.000) 0.397 2.690 ( 0.000 0.397 0.000) 0.397 2.817 ( 0.000 -1.901 0.000) 1.901 2.817 ( 0.000 1.901 0.000) 1.901 2.955 ( 0.000 -0.313 0.000) 0.313 2.955 ( 0.000 0.313 0.000) 0.313 3.168 ( 0.000 -1.481 0.000) 1.481 3.168 ( 0.000 1.481 0.000) 1.481 3.304 ( 0.000 -1.382 0.000) 1.382 3.304 ( 0.000 1.382 0.000) 1.382 3.392 ( 0.000 -2.223 0.000) 2.223 3.392 ( 0.000 2.223 0.000) 2.223 3.603 ( 0.000 -0.021 0.000) 0.021 3.603 ( 0.000 0.021 0.000) 0.021 3.648 ( 0.000 -2.131 0.000) 2.131 3.648 ( 0.000 2.131 0.000) 2.131 3.671 ( 0.000 -1.108 0.000) 1.108 3.671 ( 0.000 1.108 0.000) 1.108 3.744 ( 0.000 -5.175 0.000) 5.175 3.744 ( 0.000 5.175 0.000) 5.175 3.889 ( 0.000 -0.098 0.000) 0.098 3.889 ( 0.000 0.098 0.000) 0.098 4.257 ( 0.000 -0.412 0.000) 0.412 4.257 ( 0.000 0.412 0.000) 0.412 4.361 ( 0.000 -10.625 0.000) 10.625 4.361 ( 0.000 10.625 0.000) 10.625 7.659 ( 0.000 -0.688 0.000) 0.688 7.659 ( 0.000 0.688 0.000) 0.688 7.673 ( 0.000 -0.544 0.000) 0.544 7.673 ( 0.000 0.544 0.000) 0.544 7.935 ( 0.000 -0.007 0.000) 0.007 7.935 ( 0.000 0.007 0.000) 0.007 7.976 ( 0.000 -0.147 0.000) 0.147 7.976 ( 0.000 0.147 0.000) 0.147 13.040 ( 0.000 -0.444 0.000) 0.444 13.040 ( 0.000 0.444 0.000) 0.444 13.048 ( 0.000 -0.479 0.000) 0.479 13.048 ( 0.000 0.479 0.000) 0.479 14.128 ( 0.000 -0.284 0.000) 0.284 14.128 ( 0.000 0.284 0.000) 0.284 14.139 ( 0.000 -0.011 0.000) 0.011 14.139 ( 0.000 0.011 0.000) 0.011 23.818 ( 0.000 -1.555 0.000) 1.555 23.818 ( 0.000 1.555 0.000) 1.555 23.944 ( 0.000 -2.343 0.000) 2.343 23.944 ( 0.000 2.343 0.000) 2.343 23.999 ( 0.000 -0.447 0.000) 0.447 23.999 ( 0.000 0.447 0.000) 0.447 24.105 ( 0.000 -3.265 0.000) 3.265 24.105 ( 0.000 3.265 0.000) 3.265 ======================= Grid point 22 (14/55) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 1.931 -7.511 0.555) 7.775 1.041 ( 1.931 7.511 0.555) 7.775 1.147 ( 0.663 -1.626 -1.449) 2.277 1.147 ( 0.663 1.626 -1.449) 2.277 1.222 ( -0.225 -1.599 -0.094) 1.618 1.222 ( -0.225 1.599 -0.094) 1.618 1.442 ( -1.207 -4.211 1.300) 4.569 1.442 ( -1.207 4.211 1.300) 4.569 1.502 ( -2.472 -3.662 -2.549) 5.101 1.502 ( -2.472 3.662 -2.549) 5.101 1.595 ( 0.431 -0.558 0.383) 0.803 1.595 ( 0.431 0.558 0.383) 0.803 1.684 ( 1.596 -4.228 0.786) 4.587 1.684 ( 1.596 4.228 0.786) 4.587 1.791 ( -0.312 -1.125 0.391) 1.232 1.791 ( -0.312 1.125 0.391) 1.232 1.827 ( 1.216 -1.803 1.082) 2.429 1.827 ( 1.216 1.803 1.082) 2.429 1.914 ( 2.158 -1.662 -0.841) 2.851 1.914 ( 2.158 1.662 -0.841) 2.851 1.945 ( -4.019 -1.024 -0.119) 4.149 1.945 ( -4.019 1.024 -0.119) 4.149 2.114 ( -1.271 -1.313 0.353) 1.861 2.114 ( -1.271 1.313 0.353) 1.861 2.208 ( -2.788 -0.829 -0.544) 2.959 2.208 ( -2.788 0.829 -0.544) 2.959 2.281 ( 1.359 -4.831 1.152) 5.149 2.281 ( 1.359 4.831 1.152) 5.149 2.396 ( 1.038 -2.177 -0.976) 2.601 2.396 ( 1.038 2.177 -0.976) 2.601 2.465 ( 2.436 -2.440 -1.046) 3.603 2.465 ( 2.436 2.440 -1.046) 3.603 2.549 ( -1.030 -3.043 0.003) 3.213 2.549 ( -1.030 3.043 0.003) 3.213 2.690 ( 0.617 -1.363 1.569) 2.168 2.690 ( 0.617 1.363 1.569) 2.168 2.877 ( 3.311 -1.472 1.009) 3.762 2.877 ( 3.311 1.472 1.009) 3.762 2.940 ( -0.252 -4.470 -0.907) 4.568 2.940 ( -0.252 4.470 -0.907) 4.568 3.145 ( -1.965 -1.362 0.015) 2.391 3.145 ( -1.965 1.362 0.015) 2.391 3.286 ( -1.871 -2.745 0.205) 3.329 3.286 ( -1.871 2.745 0.205) 3.329 3.398 ( 1.083 -1.164 0.124) 1.595 3.398 ( 1.083 1.164 0.124) 1.595 3.564 ( -3.413 -2.009 -1.056) 4.098 3.564 ( -3.413 2.009 -1.056) 4.098 3.627 ( -0.914 -2.074 -0.422) 2.306 3.627 ( -0.914 2.074 -0.422) 2.306 3.714 ( -0.009 -2.626 0.162) 2.631 3.714 ( -0.009 2.626 0.162) 2.631 3.739 ( 2.630 -0.837 -0.396) 2.788 3.739 ( 2.630 0.837 -0.396) 2.788 3.929 ( 2.900 -2.593 0.949) 4.004 3.929 ( 2.900 2.593 0.949) 4.004 4.254 ( -0.461 -1.069 -0.072) 1.166 4.254 ( -0.461 1.069 -0.072) 1.166 4.335 ( -2.104 -8.658 -0.112) 8.911 4.335 ( -2.104 8.659 -0.112) 8.911 7.659 ( -0.074 -0.912 0.217) 0.941 7.659 ( -0.074 0.912 0.217) 0.941 7.675 ( 0.211 -0.492 -0.081) 0.542 7.675 ( 0.211 0.492 -0.081) 0.542 7.937 ( 0.192 -0.135 0.117) 0.262 7.937 ( 0.192 0.135 0.117) 0.262 7.975 ( -0.054 -0.296 -0.126) 0.327 7.975 ( -0.054 0.296 -0.126) 0.327 13.039 ( 0.002 -0.668 -0.058) 0.671 13.039 ( 0.002 0.668 -0.058) 0.671 13.049 ( 0.028 -0.351 0.124) 0.373 13.049 ( 0.028 0.351 0.124) 0.373 14.129 ( 0.068 -0.262 0.003) 0.271 14.129 ( 0.068 0.262 0.003) 0.271 14.140 ( 0.021 -0.050 -0.004) 0.054 14.140 ( 0.021 0.050 -0.004) 0.054 23.777 ( -2.760 -1.657 -0.908) 3.345 23.777 ( -2.760 1.657 -0.908) 3.345 23.893 ( -4.475 -1.944 0.185) 4.882 23.893 ( -4.475 1.944 0.185) 4.882 24.023 ( 2.007 -3.084 2.599) 4.505 24.023 ( 2.007 3.084 2.599) 4.505 24.166 ( 4.616 -2.429 -1.968) 5.575 24.166 ( 4.616 2.429 -1.968) 5.575 ======================= Grid point 24 (15/55) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 1.640 -3.382 0.139) 3.761 1.089 ( 1.640 3.382 0.139) 3.761 1.176 ( 3.247 -2.906 -1.088) 4.491 1.176 ( 3.247 2.906 -1.088) 4.491 1.219 ( -0.102 -2.587 -0.113) 2.591 1.219 ( -0.102 2.587 -0.113) 2.591 1.389 ( -5.257 -4.050 0.234) 6.640 1.389 ( -5.257 4.050 0.234) 6.640 1.442 ( -0.610 -1.630 -0.169) 1.749 1.442 ( -0.610 1.630 -0.169) 1.749 1.600 ( -0.340 -1.388 0.259) 1.452 1.600 ( -0.340 1.388 0.259) 1.452 1.728 ( 2.245 -3.540 -0.473) 4.219 1.728 ( 2.245 3.540 -0.473) 4.219 1.793 ( -0.392 -2.212 1.131) 2.515 1.793 ( -0.392 2.212 1.131) 2.515 1.844 ( 0.550 -1.923 -0.029) 2.001 1.844 ( 0.550 1.923 -0.029) 2.001 1.880 ( -1.789 -0.375 -0.275) 1.849 1.880 ( -1.789 0.375 -0.275) 1.849 1.979 ( 3.604 -0.182 0.209) 3.615 1.979 ( 3.604 0.182 0.209) 3.615 2.063 ( -3.403 -1.471 0.195) 3.712 2.063 ( -3.403 1.471 0.195) 3.712 2.168 ( -0.902 -4.140 -0.384) 4.255 2.168 ( -0.902 4.140 -0.384) 4.255 2.310 ( 0.902 -4.655 0.445) 4.762 2.310 ( 0.902 4.655 0.445) 4.762 2.401 ( -0.141 -3.013 -0.326) 3.034 2.401 ( -0.141 3.013 -0.326) 3.034 2.492 ( 0.660 -3.443 -0.289) 3.517 2.492 ( 0.660 3.443 -0.289) 3.517 2.538 ( 0.016 -2.661 -0.381) 2.688 2.538 ( 0.016 2.661 -0.381) 2.688 2.723 ( 1.212 -1.770 1.042) 2.385 2.723 ( 1.212 1.770 1.042) 2.385 2.873 ( -1.032 -7.751 -1.056) 7.890 2.873 ( -1.032 7.751 -1.056) 7.890 2.993 ( 2.735 -0.414 1.580) 3.186 2.993 ( 2.735 0.414 1.580) 3.186 3.104 ( -1.688 -1.195 -0.652) 2.169 3.104 ( -1.688 1.195 -0.652) 2.169 3.260 ( -0.474 -1.776 0.347) 1.871 3.260 ( -0.474 1.776 0.347) 1.871 3.421 ( 0.477 -1.412 -0.622) 1.614 3.421 ( 0.477 1.412 -0.622) 1.614 3.500 ( -1.589 -1.112 -0.286) 1.961 3.500 ( -1.589 1.112 -0.286) 1.961 3.596 ( -1.495 -1.708 -0.339) 2.295 3.596 ( -1.495 1.708 -0.339) 2.295 3.719 ( 0.391 -1.975 0.300) 2.036 3.719 ( 0.391 1.975 0.300) 2.036 3.781 ( 1.048 -0.539 0.195) 1.195 3.781 ( 1.048 0.539 0.195) 1.195 3.983 ( 1.809 -4.406 0.209) 4.767 3.983 ( 1.809 4.406 0.209) 4.767 4.237 ( -0.732 -1.950 -0.594) 2.166 4.237 ( -0.732 1.950 -0.594) 2.166 4.303 ( -0.944 -3.517 0.396) 3.663 4.303 ( -0.944 3.517 0.396) 3.663 7.659 ( -0.046 -0.847 0.110) 0.855 7.659 ( -0.046 0.847 0.110) 0.855 7.678 ( 0.127 -0.248 -0.031) 0.281 7.678 ( 0.127 0.248 -0.031) 0.281 7.941 ( 0.096 -0.456 0.077) 0.473 7.941 ( 0.096 0.456 0.077) 0.473 7.973 ( -0.026 -0.216 -0.082) 0.232 7.973 ( -0.026 0.216 -0.082) 0.232 13.039 ( 0.016 -0.897 -0.056) 0.899 13.039 ( 0.016 0.897 -0.056) 0.899 13.049 ( -0.004 -0.179 0.094) 0.202 13.049 ( -0.004 0.179 0.094) 0.202 14.130 ( 0.041 -0.210 0.002) 0.214 14.130 ( 0.041 0.210 0.002) 0.214 14.140 ( 0.012 -0.058 -0.003) 0.060 14.140 ( 0.012 0.058 -0.003) 0.060 23.733 ( -1.181 -0.985 -0.142) 1.544 23.733 ( -1.181 0.985 -0.142) 1.544 23.824 ( -2.037 -2.674 -0.270) 3.372 23.824 ( -2.037 2.674 -0.270) 3.372 24.065 ( 0.898 -2.588 1.349) 3.053 24.065 ( 0.898 2.588 1.349) 3.053 24.225 ( 1.943 -1.580 -0.991) 2.693 24.225 ( 1.943 1.580 -0.991) 2.693 ======================= Grid point 45 (16/55) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 6.271 0.000 16.921) 18.046 0.372 ( 9.306 0.000 18.144) 20.391 0.678 ( -2.557 0.000 31.582) 31.686 0.938 ( -4.410 0.000 -7.930) 9.074 0.974 ( -4.634 0.000 -12.751) 13.567 1.229 ( -2.293 0.000 -0.130) 2.297 1.256 ( 7.913 0.000 -2.492) 8.296 1.310 ( -0.488 0.000 0.667) 0.827 1.320 ( -2.524 0.000 5.793) 6.319 1.388 ( 2.954 0.000 0.717) 3.039 1.448 ( 3.993 0.000 1.595) 4.299 1.461 ( 0.642 0.000 0.906) 1.111 1.462 ( -1.056 0.000 -0.036) 1.056 1.510 ( -2.877 0.000 1.782) 3.385 1.559 ( -7.424 0.000 -6.322) 9.752 1.581 ( -3.971 0.000 -2.133) 4.508 1.652 ( 4.213 0.000 -1.877) 4.612 1.665 ( -4.491 0.000 7.197) 8.483 1.737 ( -1.393 0.000 -5.230) 5.412 1.784 ( -0.326 0.000 3.566) 3.581 1.871 ( 1.831 0.000 -7.362) 7.586 1.916 ( 4.596 0.000 6.583) 8.029 2.000 ( 2.847 0.000 4.752) 5.540 2.078 ( 1.498 0.000 1.693) 2.261 2.100 ( -0.847 0.000 -3.463) 3.566 2.169 ( 0.058 0.000 -1.284) 1.285 2.218 ( -1.332 0.000 1.016) 1.676 2.219 ( 0.244 0.000 -2.018) 2.032 2.262 ( -1.778 0.000 0.245) 1.794 2.297 ( -0.241 0.000 -1.719) 1.736 2.321 ( -0.808 0.000 -1.812) 1.984 2.405 ( -0.921 0.000 -1.722) 1.952 2.416 ( 3.957 0.000 -7.575) 8.547 2.465 ( 2.064 0.000 -1.999) 2.874 2.659 ( 6.342 0.000 1.455) 6.506 2.711 ( -4.604 0.000 -0.631) 4.647 2.721 ( 0.000 0.000 2.014) 2.014 2.814 ( -4.176 0.000 -0.341) 4.190 2.831 ( -9.763 0.000 2.198) 10.008 2.868 ( 1.795 0.000 -0.923) 2.018 3.048 ( -1.315 0.000 0.305) 1.350 3.097 ( 2.286 0.000 -1.715) 2.858 3.195 ( 0.453 0.000 2.536) 2.576 3.272 ( -1.760 0.000 -1.334) 2.209 3.548 ( -1.037 0.000 4.025) 4.157 3.591 ( -0.784 0.000 0.012) 0.784 3.635 ( -0.134 0.000 -1.642) 1.647 3.708 ( 0.278 0.000 -2.448) 2.463 3.722 ( 0.674 0.000 -0.090) 0.680 3.746 ( 3.144 0.000 -0.911) 3.273 3.820 ( -1.368 0.000 0.365) 1.416 3.850 ( -1.639 0.000 -0.667) 1.770 3.879 ( 1.613 0.000 -2.740) 3.180 3.921 ( 2.980 0.000 -1.720) 3.441 4.127 ( -3.640 0.000 3.047) 4.747 4.149 ( 5.580 0.000 0.130) 5.581 4.284 ( 0.511 0.000 1.084) 1.199 4.333 ( -0.178 0.000 -0.734) 0.755 4.415 ( -4.997 0.000 8.201) 9.603 4.736 ( 11.236 0.000 -4.945) 12.276 7.647 ( -0.111 0.000 -0.429) 0.443 7.653 ( 0.353 0.000 -0.469) 0.587 7.680 ( 0.193 0.000 0.600) 0.630 7.681 ( -0.618 0.000 0.341) 0.706 7.911 ( 0.089 0.000 0.610) 0.616 7.921 ( 0.069 0.000 -0.040) 0.080 7.931 ( 0.378 0.000 -0.313) 0.491 7.932 ( -0.019 0.000 -0.147) 0.148 13.022 ( 0.371 0.000 -0.270) 0.459 13.040 ( -0.305 0.000 -0.695) 0.759 13.048 ( 0.304 0.000 0.389) 0.494 13.051 ( -0.418 0.000 0.512) 0.661 14.111 ( -0.041 0.000 0.388) 0.390 14.128 ( -0.147 0.000 0.264) 0.302 14.130 ( 0.062 0.000 -0.389) 0.394 14.141 ( 0.165 0.000 -0.246) 0.296 23.502 ( -3.468 0.000 2.789) 4.451 23.617 ( 4.138 0.000 -1.259) 4.325 23.739 ( -0.510 0.000 1.223) 1.325 23.771 ( 10.234 0.000 -0.361) 10.240 24.196 ( 2.130 0.000 -0.662) 2.231 24.214 ( -1.684 0.000 -1.182) 2.057 24.482 ( -31.314 0.000 1.556) 31.352 24.566 ( 6.371 0.000 -1.789) 6.618 ======================= Grid point 46 (17/55) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -0.243 0.000 16.638) 16.640 0.589 ( 8.653 0.000 12.777) 15.431 0.745 ( -6.809 0.000 -10.996) 12.933 0.825 ( -0.957 0.000 -11.841) 11.879 0.973 ( 11.720 0.000 21.606) 24.580 1.140 ( -5.324 0.000 -2.057) 5.708 1.201 ( -8.818 0.000 -2.116) 9.068 1.273 ( -8.726 0.000 4.676) 9.901 1.329 ( 2.101 0.000 -2.135) 2.995 1.380 ( -1.954 0.000 -0.325) 1.981 1.435 ( -2.000 0.000 -4.336) 4.775 1.448 ( 2.328 0.000 2.814) 3.652 1.454 ( -2.543 0.000 3.542) 4.361 1.487 ( 1.144 0.000 -0.322) 1.188 1.536 ( 1.321 0.000 -1.810) 2.241 1.650 ( 9.338 0.000 2.319) 9.622 1.687 ( 2.542 0.000 4.938) 5.554 1.700 ( 2.627 0.000 -3.054) 4.028 1.729 ( 0.697 0.000 0.934) 1.165 1.824 ( 1.608 0.000 4.806) 5.068 1.871 ( 2.783 0.000 -7.126) 7.650 2.034 ( -0.559 0.000 0.960) 1.111 2.034 ( -0.602 0.000 4.114) 4.158 2.065 ( -2.408 0.000 -0.655) 2.495 2.073 ( 3.200 0.000 -0.664) 3.269 2.126 ( -1.788 0.000 -3.092) 3.571 2.180 ( -2.123 0.000 1.070) 2.377 2.197 ( -2.585 0.000 -0.577) 2.648 2.254 ( -0.435 0.000 -1.294) 1.366 2.267 ( -1.818 0.000 -1.934) 2.654 2.336 ( 4.472 0.000 -2.289) 5.024 2.361 ( -2.075 0.000 -1.730) 2.702 2.374 ( -4.560 0.000 -2.716) 5.308 2.508 ( 3.959 0.000 -5.429) 6.720 2.523 ( -11.337 0.000 -3.369) 11.827 2.725 ( -1.618 0.000 3.773) 4.106 2.738 ( 1.914 0.000 -1.542) 2.457 2.830 ( 3.933 0.000 3.578) 5.316 2.832 ( 3.724 0.000 -0.687) 3.786 2.905 ( 1.687 0.000 0.396) 1.733 3.041 ( -0.057 0.000 -0.285) 0.290 3.119 ( 0.419 0.000 -0.595) 0.727 3.218 ( -2.519 0.000 0.556) 2.579 3.238 ( 2.127 0.000 1.594) 2.658 3.563 ( 0.158 0.000 3.428) 3.432 3.596 ( 0.282 0.000 -1.676) 1.700 3.617 ( -0.432 0.000 -0.170) 0.464 3.709 ( 0.937 0.000 -2.591) 2.755 3.730 ( 0.345 0.000 0.421) 0.544 3.768 ( 0.517 0.000 -1.388) 1.481 3.798 ( -1.255 0.000 2.916) 3.174 3.829 ( 0.602 0.000 -1.679) 1.783 3.879 ( -0.859 0.000 -2.119) 2.287 4.029 ( -7.364 0.000 4.368) 8.562 4.046 ( 9.547 0.000 -2.632) 9.904 4.218 ( 2.565 0.000 -2.558) 3.622 4.303 ( 0.758 0.000 1.105) 1.340 4.327 ( 0.146 0.000 -0.871) 0.883 4.352 ( -3.796 0.000 4.417) 5.824 4.720 ( -7.210 0.000 -2.632) 7.676 7.649 ( 0.380 0.000 -0.224) 0.441 7.669 ( 0.821 0.000 -0.037) 0.822 7.674 ( -0.328 0.000 -0.002) 0.328 7.688 ( 0.246 0.000 0.751) 0.790 7.906 ( -0.379 0.000 0.561) 0.677 7.913 ( -0.658 0.000 -0.283) 0.716 7.931 ( -0.056 0.000 -0.412) 0.415 7.934 ( 0.244 0.000 -0.177) 0.302 13.030 ( 0.459 0.000 0.127) 0.476 13.031 ( -0.102 0.000 -0.901) 0.907 13.045 ( -0.533 0.000 0.208) 0.572 13.057 ( 0.255 0.000 0.608) 0.659 14.114 ( 0.104 0.000 0.409) 0.422 14.126 ( -0.143 0.000 0.236) 0.276 14.130 ( 0.118 0.000 -0.394) 0.411 14.143 ( 0.215 0.000 -0.245) 0.326 23.439 ( -2.915 0.000 0.935) 3.061 23.628 ( -0.082 0.000 -0.572) 0.578 23.752 ( 0.542 0.000 1.892) 1.968 23.969 ( -10.401 0.000 7.478) 12.811 24.046 ( 7.680 0.000 -9.979) 12.592 24.133 ( -4.148 0.000 -1.942) 4.580 24.334 ( 5.112 0.000 4.482) 6.799 24.712 ( 6.096 0.000 1.942) 6.398 ======================= Grid point 47 (18/55) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.606 0.000 -3.152) 3.210 0.582 ( 2.158 0.000 2.760) 3.503 0.847 ( 6.085 0.000 2.540) 6.594 0.865 ( 6.515 0.000 -0.066) 6.515 0.982 ( -7.469 0.000 -1.790) 7.681 1.034 ( -13.336 0.000 1.808) 13.458 1.096 ( -0.077 0.000 2.812) 2.813 1.147 ( -2.883 0.000 4.059) 4.979 1.338 ( 0.265 0.000 -0.242) 0.359 1.392 ( -0.493 0.000 -4.965) 4.990 1.397 ( -1.506 0.000 -0.198) 1.519 1.456 ( 1.216 0.000 2.964) 3.204 1.481 ( 0.359 0.000 0.655) 0.747 1.518 ( 1.663 0.000 2.924) 3.364 1.626 ( 5.860 0.000 9.666) 11.304 1.715 ( -0.134 0.000 -5.045) 5.047 1.731 ( 0.095 0.000 2.488) 2.490 1.739 ( 0.066 0.000 2.451) 2.451 1.825 ( 4.840 0.000 3.761) 6.129 1.876 ( -0.693 0.000 0.456) 0.830 1.915 ( 3.714 0.000 -2.767) 4.632 1.993 ( -1.174 0.000 -0.614) 1.324 2.001 ( 1.211 0.000 1.316) 1.788 2.064 ( 1.018 0.000 1.671) 1.956 2.091 ( -0.795 0.000 -2.357) 2.487 2.106 ( -2.532 0.000 1.885) 3.157 2.125 ( -6.914 0.000 -0.449) 6.929 2.133 ( -0.077 0.000 -0.762) 0.766 2.171 ( -3.343 0.000 -1.634) 3.721 2.227 ( 0.454 0.000 -2.086) 2.135 2.300 ( -1.111 0.000 -2.956) 3.158 2.350 ( -0.227 0.000 1.530) 1.547 2.375 ( -1.026 0.000 0.517) 1.149 2.454 ( 7.511 0.000 -5.780) 9.477 2.530 ( 0.585 0.000 -6.791) 6.816 2.715 ( -1.346 0.000 3.017) 3.303 2.744 ( -0.445 0.000 -4.292) 4.315 2.844 ( -0.052 0.000 -4.368) 4.369 2.926 ( 3.683 0.000 5.321) 6.472 2.932 ( 0.801 0.000 0.956) 1.248 3.033 ( -0.466 0.000 0.062) 0.470 3.127 ( 0.328 0.000 0.158) 0.365 3.193 ( -0.744 0.000 1.146) 1.366 3.241 ( -1.583 0.000 -1.736) 2.349 3.561 ( -0.890 0.000 -1.028) 1.360 3.572 ( -1.003 0.000 -3.751) 3.882 3.628 ( 0.650 0.000 2.101) 2.199 3.719 ( 0.984 0.000 -1.181) 1.537 3.737 ( -2.556 0.000 2.887) 3.856 3.762 ( -0.099 0.000 -1.366) 1.369 3.796 ( -0.710 0.000 2.256) 2.365 3.798 ( -3.164 0.000 -0.558) 3.213 3.895 ( 4.622 0.000 4.962) 6.781 3.974 ( -0.495 0.000 4.173) 4.202 4.190 ( 5.991 0.000 -6.127) 8.569 4.237 ( 0.718 0.000 -3.291) 3.368 4.314 ( -1.072 0.000 0.912) 1.407 4.328 ( 0.187 0.000 2.279) 2.287 4.348 ( 3.264 0.000 -0.448) 3.295 4.528 ( -10.526 0.000 -1.467) 10.628 7.655 ( 0.240 0.000 -0.047) 0.244 7.664 ( -0.539 0.000 0.093) 0.547 7.681 ( 0.241 0.000 0.508) 0.563 7.693 ( -0.209 0.000 0.718) 0.748 7.902 ( -0.136 0.000 -0.212) 0.252 7.908 ( 0.406 0.000 0.182) 0.445 7.927 ( -0.208 0.000 -0.446) 0.492 7.936 ( 0.083 0.000 -0.381) 0.390 13.028 ( 0.225 0.000 -0.792) 0.824 13.034 ( -0.561 0.000 -0.147) 0.580 13.040 ( 0.389 0.000 0.569) 0.689 13.062 ( -0.069 0.000 0.545) 0.549 14.117 ( -0.043 0.000 0.322) 0.325 14.126 ( -0.034 0.000 0.337) 0.339 14.131 ( 0.150 0.000 -0.339) 0.371 14.145 ( 0.100 0.000 -0.312) 0.328 23.423 ( 0.537 0.000 1.860) 1.936 23.603 ( -2.228 0.000 -1.438) 2.652 23.771 ( 0.067 0.000 3.484) 3.485 23.836 ( -4.510 0.000 4.855) 6.627 24.064 ( -1.550 0.000 -2.184) 2.679 24.131 ( 4.177 0.000 -9.060) 9.976 24.480 ( 6.767 0.000 5.549) 8.751 24.771 ( -0.696 0.000 -0.183) 0.720 ======================= Grid point 48 (19/55) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -8.515 0.000 -1.319) 8.617 0.629 ( -4.998 0.000 -8.437) 9.806 0.777 ( -6.183 0.000 11.094) 12.701 0.816 ( 3.285 0.000 0.565) 3.334 0.974 ( -6.371 0.000 1.599) 6.568 1.061 ( 7.795 0.000 1.817) 8.004 1.081 ( 4.248 0.000 2.343) 4.851 1.179 ( 4.586 0.000 4.365) 6.331 1.330 ( -3.452 0.000 1.025) 3.601 1.354 ( 0.728 0.000 -4.078) 4.143 1.369 ( 0.390 0.000 -3.790) 3.810 1.486 ( 0.868 0.000 -0.056) 0.870 1.490 ( 0.825 0.000 3.543) 3.637 1.546 ( -0.685 0.000 1.307) 1.476 1.689 ( -4.463 0.000 -0.684) 4.516 1.694 ( 0.478 0.000 -2.145) 2.198 1.731 ( -0.613 0.000 5.973) 6.004 1.760 ( 1.816 0.000 2.031) 2.724 1.791 ( -5.495 0.000 3.110) 6.315 1.886 ( 1.515 0.000 2.975) 3.339 1.889 ( -4.097 0.000 -1.459) 4.349 1.943 ( -8.352 0.000 3.898) 9.217 2.025 ( -2.989 0.000 -3.715) 4.768 2.029 ( 3.414 0.000 0.154) 3.418 2.096 ( 0.732 0.000 -0.383) 0.827 2.102 ( 0.532 0.000 -0.305) 0.613 2.139 ( 2.479 0.000 -1.183) 2.747 2.145 ( 4.587 0.000 2.367) 5.162 2.243 ( 4.502 0.000 -1.722) 4.820 2.252 ( 2.312 0.000 1.984) 3.047 2.275 ( -0.508 0.000 -3.648) 3.683 2.393 ( 6.523 0.000 0.561) 6.547 2.421 ( -4.576 0.000 -6.103) 7.628 2.431 ( 5.131 0.000 6.034) 7.921 2.541 ( 4.238 0.000 -11.377) 12.140 2.665 ( -4.117 0.000 -8.732) 9.654 2.705 ( -0.946 0.000 2.426) 2.604 2.834 ( 0.976 0.000 -2.751) 2.919 2.958 ( 0.744 0.000 2.239) 2.360 2.985 ( 0.375 0.000 -1.107) 1.169 3.068 ( 2.693 0.000 5.856) 6.446 3.106 ( -2.288 0.000 -1.108) 2.543 3.198 ( -1.615 0.000 -0.439) 1.674 3.204 ( 1.602 0.000 3.209) 3.586 3.535 ( -0.353 0.000 -4.160) 4.175 3.559 ( 2.120 0.000 -2.794) 3.507 3.652 ( -3.706 0.000 2.743) 4.611 3.661 ( 0.392 0.000 2.126) 2.162 3.717 ( -1.264 0.000 0.166) 1.275 3.766 ( 1.119 0.000 -1.330) 1.738 3.790 ( -0.487 0.000 1.224) 1.317 3.807 ( 1.778 0.000 0.319) 1.806 3.933 ( -2.334 0.000 4.441) 5.017 4.071 ( 4.361 0.000 7.234) 8.447 4.162 ( -7.288 0.000 -5.453) 9.102 4.209 ( -0.118 0.000 -7.894) 7.895 4.294 ( -1.220 0.000 0.568) 1.346 4.361 ( -4.232 0.000 0.170) 4.235 4.363 ( 1.840 0.000 3.887) 4.300 4.437 ( 5.583 0.000 -2.819) 6.254 7.656 ( -0.242 0.000 0.197) 0.312 7.658 ( 0.070 0.000 0.081) 0.107 7.686 ( -0.718 0.000 0.319) 0.785 7.688 ( 0.102 0.000 0.838) 0.844 7.906 ( 0.409 0.000 0.135) 0.431 7.917 ( -0.561 0.000 -0.745) 0.933 7.919 ( 0.515 0.000 0.171) 0.543 7.935 ( 0.033 0.000 -0.523) 0.524 13.024 ( -0.281 0.000 -0.431) 0.514 13.032 ( 0.430 0.000 -0.412) 0.595 13.050 ( 0.200 0.000 0.866) 0.889 13.059 ( -0.363 0.000 0.179) 0.404 14.115 ( -0.252 0.000 0.274) 0.372 14.128 ( 0.005 0.000 0.399) 0.399 14.132 ( 0.096 0.000 -0.287) 0.303 14.144 ( -0.052 0.000 -0.377) 0.380 23.465 ( 1.892 0.000 3.683) 4.140 23.546 ( -1.867 0.000 -2.986) 3.522 23.785 ( -1.125 0.000 4.793) 4.923 23.805 ( -1.772 0.000 2.323) 2.922 24.064 ( 3.174 0.000 -2.878) 4.284 24.142 ( 1.658 0.000 -6.392) 6.604 24.644 ( 6.706 0.000 7.934) 10.388 24.698 ( -5.032 0.000 -3.971) 6.410 ======================= Grid point 49 (20/55) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -10.838 0.000 6.413) 12.593 0.321 ( -14.938 0.000 -0.322) 14.941 0.708 ( -12.106 0.000 23.308) 26.264 0.941 ( 5.788 0.000 -1.192) 5.910 1.027 ( 8.398 0.000 0.453) 8.410 1.128 ( 0.833 0.000 -8.822) 8.861 1.206 ( 4.937 0.000 0.444) 4.957 1.268 ( 3.631 0.000 2.107) 4.198 1.313 ( 0.937 0.000 6.792) 6.856 1.347 ( -0.674 0.000 -2.038) 2.146 1.357 ( 1.768 0.000 -2.911) 3.406 1.503 ( -1.961 0.000 2.492) 3.171 1.517 ( -2.206 0.000 -0.933) 2.395 1.554 ( 5.764 0.000 -0.310) 5.772 1.588 ( -4.588 0.000 -2.121) 5.054 1.662 ( -5.071 0.000 -0.193) 5.074 1.676 ( -2.132 0.000 -2.219) 3.077 1.730 ( -5.374 0.000 9.657) 11.051 1.812 ( 0.972 0.000 4.656) 4.756 1.831 ( -1.604 0.000 -1.418) 2.141 1.832 ( -5.282 0.000 2.858) 6.005 1.933 ( 1.079 0.000 2.542) 2.762 1.955 ( -7.185 0.000 -7.426) 10.333 2.006 ( 2.798 0.000 2.333) 3.643 2.112 ( 1.092 0.000 -1.607) 1.943 2.126 ( 3.592 0.000 -0.463) 3.622 2.212 ( 2.135 0.000 -1.982) 2.913 2.216 ( 1.230 0.000 1.675) 2.079 2.269 ( 0.406 0.000 1.099) 1.172 2.281 ( 4.943 0.000 -2.044) 5.349 2.287 ( 1.863 0.000 -2.136) 2.835 2.380 ( 2.877 0.000 -6.043) 6.693 2.427 ( -0.822 0.000 0.443) 0.934 2.500 ( -3.730 0.000 -7.844) 8.685 2.580 ( 1.965 0.000 -5.170) 5.531 2.675 ( 9.153 0.000 4.417) 10.163 2.706 ( -0.008 0.000 1.349) 1.349 2.842 ( 0.906 0.000 -1.351) 1.627 2.929 ( -5.174 0.000 1.055) 5.280 2.973 ( -0.357 0.000 -4.691) 4.705 3.075 ( 0.696 0.000 -2.258) 2.363 3.101 ( -1.445 0.000 0.552) 1.547 3.183 ( -0.224 0.000 1.452) 1.470 3.289 ( 2.586 0.000 -1.200) 2.851 3.556 ( 4.712 0.000 3.796) 6.051 3.565 ( -1.971 0.000 2.238) 2.982 3.628 ( 1.247 0.000 -0.995) 1.595 3.682 ( -2.145 0.000 1.950) 2.899 3.698 ( 1.680 0.000 0.549) 1.767 3.752 ( -2.084 0.000 -0.618) 2.174 3.817 ( 2.066 0.000 0.937) 2.269 3.847 ( 2.467 0.000 -1.229) 2.757 3.894 ( -3.219 0.000 2.648) 4.168 3.958 ( -7.150 0.000 -5.730) 9.163 4.135 ( -3.118 0.000 -5.984) 6.748 4.142 ( 0.117 0.000 4.271) 4.273 4.279 ( -0.478 0.000 0.664) 0.818 4.336 ( -0.041 0.000 -0.092) 0.101 4.422 ( 0.037 0.000 8.165) 8.165 4.529 ( 6.472 0.000 -1.299) 6.601 7.656 ( -0.006 0.000 -0.060) 0.061 7.656 ( -0.401 0.000 -0.106) 0.415 7.676 ( -0.213 0.000 0.323) 0.387 7.692 ( -0.283 0.000 0.740) 0.793 7.903 ( -0.243 0.000 -0.396) 0.465 7.915 ( 0.410 0.000 0.109) 0.424 7.927 ( 0.193 0.000 0.162) 0.252 7.934 ( 0.060 0.000 -0.362) 0.367 13.020 ( 0.097 0.000 -0.482) 0.492 13.039 ( 0.400 0.000 0.024) 0.400 13.051 ( -0.426 0.000 -0.269) 0.504 13.055 ( -0.173 0.000 0.801) 0.819 14.112 ( -0.221 0.000 0.328) 0.396 14.129 ( -0.095 0.000 0.340) 0.353 14.131 ( 0.024 0.000 -0.291) 0.292 14.141 ( -0.025 0.000 -0.350) 0.351 23.513 ( 0.399 0.000 4.200) 4.219 23.524 ( 2.022 0.000 -2.963) 3.588 23.766 ( -3.394 0.000 2.107) 3.995 23.766 ( -2.898 0.000 3.161) 4.288 24.152 ( 2.359 0.000 -3.424) 4.158 24.157 ( 6.601 0.000 -1.508) 6.771 24.573 ( -4.073 0.000 -5.542) 6.878 24.787 ( 2.375 0.000 1.200) 2.661 ======================= Grid point 50 (21/55) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.678 11.929 9.072) 15.002 0.609 ( -4.905 11.382 16.826) 20.899 0.877 ( -2.525 0.915 -4.772) 5.475 0.910 ( 3.748 19.988 14.103) 24.748 1.097 ( -1.489 8.373 -5.058) 9.895 1.193 ( 5.271 -1.783 -2.181) 5.977 1.259 ( -2.026 -1.784 -2.355) 3.582 1.366 ( 0.714 4.114 1.281) 4.367 1.376 ( -0.200 1.772 0.971) 2.030 1.411 ( 0.948 3.089 3.886) 5.054 1.438 ( 0.208 3.966 2.064) 4.475 1.503 ( 0.954 1.990 2.192) 3.111 1.521 ( -1.387 2.879 -0.833) 3.303 1.569 ( 1.889 7.164 2.670) 7.875 1.615 ( -5.503 3.796 -2.698) 7.209 1.629 ( -2.102 3.483 -3.027) 5.071 1.681 ( -1.156 3.113 3.433) 4.776 1.710 ( -3.509 3.786 -0.624) 5.199 1.780 ( 0.473 5.593 -1.794) 5.893 1.844 ( -1.272 5.316 0.793) 5.524 1.900 ( -0.229 2.193 -6.454) 6.820 1.921 ( 5.093 0.920 4.968) 7.174 1.998 ( 1.215 -0.359 3.565) 3.783 2.035 ( 2.384 -0.770 2.373) 3.451 2.094 ( -1.128 -0.394 -3.055) 3.281 2.175 ( 0.992 -0.325 -0.869) 1.358 2.200 ( -0.469 -1.663 0.389) 1.772 2.210 ( -2.108 0.339 -3.687) 4.260 2.283 ( -1.254 0.762 0.934) 1.739 2.309 ( 0.135 2.208 -1.729) 2.808 2.339 ( -0.971 1.360 -0.518) 1.750 2.405 ( -0.604 1.558 -4.451) 4.754 2.418 ( 2.175 -0.185 -5.311) 5.742 2.485 ( 3.270 1.532 -2.318) 4.291 2.677 ( 6.201 1.919 1.783) 6.732 2.712 ( 1.907 -1.051 1.910) 2.896 2.726 ( -4.595 1.666 -0.677) 4.934 2.790 ( -4.016 -1.861 1.428) 4.651 2.809 ( -4.317 -0.711 2.723) 5.153 2.952 ( 1.794 -0.523 -2.288) 2.954 3.041 ( 0.476 1.944 -0.900) 2.195 3.113 ( 0.531 1.080 -3.127) 3.350 3.200 ( 0.461 0.294 0.021) 0.547 3.245 ( -1.929 -2.335 -1.453) 3.360 3.529 ( -2.527 -1.309 1.932) 3.439 3.599 ( -0.510 0.195 0.437) 0.699 3.626 ( 0.719 -2.786 -2.627) 3.896 3.667 ( -0.056 -0.983 -0.491) 1.100 3.707 ( 0.309 -2.674 0.418) 2.724 3.737 ( 2.569 -0.853 -0.356) 2.730 3.820 ( -1.915 -0.169 -0.366) 1.957 3.841 ( -1.521 -1.364 -1.517) 2.545 3.856 ( 1.077 -1.919 -0.093) 2.202 3.879 ( 1.555 -4.919 0.384) 5.173 3.985 ( 6.630 -6.710 5.350) 10.844 4.076 ( -3.462 -5.514 1.794) 6.754 4.236 ( -0.056 -2.250 0.958) 2.446 4.292 ( -1.004 -1.543 -1.138) 2.165 4.437 ( -2.138 1.347 8.620) 8.983 4.836 ( 4.306 0.987 -10.695) 11.572 7.646 ( 0.048 -0.102 -0.354) 0.372 7.651 ( 0.491 -0.115 -0.458) 0.681 7.680 ( -0.000 -0.011 0.457) 0.457 7.684 ( 0.279 0.186 0.248) 0.417 7.903 ( 0.178 0.155 -0.053) 0.242 7.910 ( -0.306 -0.386 -0.346) 0.602 7.948 ( -0.073 1.440 0.788) 1.643 7.967 ( -0.151 1.406 0.316) 1.449 13.020 ( 0.395 -0.074 -0.295) 0.499 13.033 ( -0.415 -0.362 -0.450) 0.711 13.056 ( 0.578 0.438 0.520) 0.893 13.062 ( -0.254 0.610 0.365) 0.755 14.113 ( -0.041 0.186 0.366) 0.413 14.130 ( -0.129 0.143 0.166) 0.254 14.131 ( 0.034 0.084 -0.354) 0.366 14.141 ( 0.150 -0.013 -0.214) 0.262 23.618 ( -1.187 6.527 -1.965) 6.919 23.650 ( 1.852 3.271 -0.837) 3.852 23.742 ( -1.832 1.939 0.986) 2.844 23.840 ( 10.027 4.700 -2.914) 11.451 24.165 ( 0.968 -2.911 -0.402) 3.094 24.184 ( -1.306 -2.793 -0.539) 3.130 24.315 ( -18.930 -10.200 8.514) 23.128 24.509 ( 4.504 -5.999 -2.122) 7.796 ======================= Grid point 51 (22/55) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -0.323 2.605 10.410) 10.736 0.659 ( 5.333 5.621 13.316) 15.406 0.797 ( 0.713 7.035 -3.319) 7.812 1.004 ( -0.848 12.158 -6.889) 13.999 1.101 ( -4.827 6.863 0.004) 8.390 1.170 ( -2.284 5.608 0.568) 6.081 1.239 ( 3.293 3.209 3.714) 5.911 1.304 ( -7.440 1.809 5.055) 9.175 1.402 ( -2.664 5.327 2.391) 6.418 1.419 ( 0.021 0.312 1.556) 1.587 1.430 ( 0.619 6.433 2.364) 6.882 1.489 ( -1.580 5.444 -4.060) 6.972 1.524 ( 2.184 4.083 -1.269) 4.801 1.556 ( -0.474 5.158 0.584) 5.212 1.577 ( 1.835 4.404 2.024) 5.182 1.681 ( 1.162 0.555 3.633) 3.855 1.689 ( 7.006 3.613 1.639) 8.051 1.724 ( 2.524 1.878 -1.846) 3.647 1.777 ( -2.157 4.864 0.819) 5.384 1.864 ( 1.225 3.769 3.691) 5.416 1.890 ( 2.955 2.185 -5.739) 6.815 2.007 ( 0.096 -1.906 1.149) 2.228 2.019 ( -0.884 -2.415 0.315) 2.591 2.068 ( 0.577 2.798 0.413) 2.887 2.102 ( 3.166 1.851 1.242) 3.872 2.137 ( -0.573 -0.684 -2.170) 2.346 2.173 ( -0.619 -0.004 -3.432) 3.488 2.187 ( -1.307 -1.257 0.699) 1.943 2.249 ( -3.596 -0.481 -0.986) 3.760 2.273 ( -1.518 1.418 -0.931) 2.276 2.332 ( -5.297 -0.741 -1.804) 5.645 2.359 ( 3.146 2.225 -2.286) 4.480 2.398 ( -0.715 2.139 -2.904) 3.677 2.521 ( -1.988 0.494 -4.510) 4.953 2.555 ( -5.687 3.179 -2.630) 7.026 2.710 ( -1.082 -0.641 1.975) 2.341 2.755 ( 0.718 0.575 0.142) 0.931 2.813 ( 3.398 -1.344 3.812) 5.280 2.841 ( 4.186 1.043 -0.568) 4.351 2.982 ( 0.938 4.375 -1.848) 4.841 3.042 ( 0.000 0.069 0.445) 0.450 3.106 ( 0.326 -0.646 -2.058) 2.181 3.180 ( -1.165 -2.470 -0.082) 2.732 3.237 ( 0.571 -0.354 1.566) 1.704 3.516 ( -0.265 -3.690 1.977) 4.194 3.584 ( -0.797 -1.620 0.115) 1.809 3.629 ( -1.170 0.501 -1.180) 1.736 3.657 ( 0.974 -3.688 -1.421) 4.070 3.714 ( 0.029 -2.373 1.301) 2.706 3.761 ( 0.358 -0.900 -1.439) 1.735 3.792 ( -1.227 -0.774 1.859) 2.358 3.808 ( 0.413 -2.210 -1.160) 2.530 3.870 ( -0.100 -0.877 -1.237) 1.519 3.956 ( -1.469 -4.790 1.743) 5.305 4.022 ( 3.422 -4.329 0.067) 5.519 4.125 ( 4.726 -7.176 0.157) 8.594 4.255 ( 0.965 -1.842 1.128) 2.366 4.280 ( 1.092 -1.540 -0.337) 1.918 4.411 ( -3.673 2.522 5.088) 6.763 4.748 ( -7.052 -0.308 -6.062) 9.305 7.642 ( 0.140 -0.572 -0.445) 0.738 7.665 ( 0.300 -0.304 0.114) 0.442 7.673 ( -0.229 0.125 0.016) 0.262 7.704 ( 0.815 0.754 0.220) 1.132 7.904 ( -0.163 -0.212 -0.407) 0.487 7.908 ( 0.275 0.390 0.169) 0.507 7.944 ( -0.350 1.021 0.405) 1.153 7.961 ( -0.538 1.659 0.211) 1.757 13.021 ( -0.119 -0.377 -0.456) 0.603 13.031 ( 0.405 -0.068 -0.030) 0.412 13.052 ( -0.508 0.477 -0.053) 0.699 13.070 ( 0.265 0.799 0.481) 0.969 14.115 ( 0.088 0.160 0.382) 0.423 14.128 ( -0.145 0.152 0.188) 0.282 14.131 ( 0.125 0.085 -0.364) 0.395 14.143 ( 0.198 -0.030 -0.213) 0.293 23.522 ( -4.468 6.641 -0.757) 8.040 23.669 ( -0.317 4.049 -1.023) 4.188 23.745 ( 0.767 -0.211 2.251) 2.387 23.954 ( -10.583 -1.388 7.379) 12.976 24.040 ( 6.975 -0.764 -8.788) 11.246 24.116 ( -3.210 -1.622 -1.769) 4.008 24.303 ( 5.338 -2.833 4.085) 7.294 24.633 ( 5.977 -7.466 0.911) 9.607 ======================= Grid point 52 (23/55) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 3.764 4.750 1.996) 6.381 0.766 ( -3.090 9.295 -1.294) 9.881 0.853 ( 2.146 -0.204 6.389) 6.743 0.974 ( -0.036 9.026 1.135) 9.098 1.023 ( 4.719 11.676 -0.815) 12.620 1.088 ( -8.517 3.430 4.004) 10.017 1.148 ( -3.729 8.676 0.606) 9.463 1.320 ( 0.462 -2.343 -0.177) 2.395 1.373 ( -1.252 8.308 2.417) 8.743 1.424 ( -0.701 5.549 -0.886) 5.663 1.441 ( -0.492 3.885 0.462) 3.943 1.477 ( 0.242 4.819 -2.844) 5.601 1.521 ( 1.176 4.920 -0.194) 5.062 1.583 ( -0.859 4.937 1.816) 5.330 1.686 ( 3.615 3.032 4.532) 6.542 1.711 ( -1.953 0.315 0.157) 1.984 1.725 ( 0.634 -0.822 0.047) 1.039 1.738 ( 0.913 1.860 2.140) 2.979 1.846 ( 3.189 1.610 5.070) 6.202 1.891 ( -1.360 2.417 -0.485) 2.815 1.923 ( 3.461 0.737 -0.960) 3.666 1.999 ( -1.000 -0.165 -0.414) 1.095 2.021 ( 2.670 1.877 2.053) 3.856 2.069 ( -3.048 2.286 -0.783) 3.890 2.113 ( -1.761 -0.014 -0.448) 1.817 2.115 ( -1.942 -0.222 -2.565) 3.225 2.143 ( -0.258 3.293 1.416) 3.594 2.157 ( -1.122 0.014 -0.213) 1.142 2.192 ( 0.934 3.943 -0.947) 4.161 2.244 ( -0.240 1.147 -2.502) 2.763 2.255 ( 0.099 -1.448 0.649) 1.590 2.363 ( -3.266 1.709 -2.993) 4.748 2.378 ( -0.248 0.772 0.359) 0.887 2.460 ( 6.077 0.562 -4.556) 7.616 2.554 ( 0.443 1.627 -4.071) 4.406 2.709 ( -0.707 -1.103 2.681) 2.984 2.763 ( -0.161 1.875 -4.142) 4.549 2.852 ( -0.349 0.977 -4.697) 4.810 2.888 ( 1.376 -2.448 4.973) 5.711 2.979 ( 0.312 2.597 -0.325) 2.636 3.044 ( 0.049 0.997 0.449) 1.094 3.099 ( -0.289 -2.362 -1.372) 2.747 3.175 ( 0.840 -1.771 -0.258) 1.977 3.242 ( -1.278 0.419 1.218) 1.815 3.525 ( 0.927 -3.688 -1.105) 3.960 3.554 ( -2.265 -1.816 -2.116) 3.592 3.606 ( -0.128 -1.733 1.214) 2.120 3.677 ( 0.451 -3.138 0.575) 3.222 3.715 ( -1.158 -2.719 1.725) 3.422 3.734 ( -1.227 -2.316 -1.517) 3.028 3.787 ( -1.276 -0.508 1.886) 2.333 3.813 ( -1.972 0.701 -1.532) 2.593 3.874 ( 4.822 -2.550 5.500) 7.746 3.944 ( -0.043 -2.014 2.900) 3.531 4.098 ( 2.237 -7.211 -2.277) 7.886 4.164 ( 0.053 -5.714 -2.727) 6.332 4.274 ( 0.817 -1.617 1.844) 2.585 4.348 ( 0.870 -0.485 0.795) 1.275 4.383 ( 4.141 2.748 -0.586) 5.004 4.560 ( -9.257 0.730 -3.287) 9.851 7.646 ( 0.385 -0.760 -0.284) 0.898 7.657 ( -0.607 -0.491 -0.152) 0.795 7.680 ( 0.352 0.163 0.547) 0.670 7.709 ( -0.387 0.854 0.341) 0.998 7.900 ( -0.003 0.173 0.277) 0.327 7.920 ( 0.770 0.974 -0.029) 1.242 7.939 ( -0.373 0.334 -0.327) 0.598 7.951 ( -0.395 1.645 -0.072) 1.694 13.020 ( 0.182 -0.392 -0.334) 0.546 13.034 ( -0.311 -0.020 -0.042) 0.314 13.047 ( 0.251 0.453 0.085) 0.524 13.072 ( -0.233 0.713 0.275) 0.799 14.118 ( -0.037 0.132 0.307) 0.336 14.127 ( -0.042 0.134 0.268) 0.302 14.132 ( 0.152 0.109 -0.291) 0.346 14.145 ( 0.090 -0.041 -0.277) 0.294 23.478 ( -0.124 5.103 1.126) 5.228 23.632 ( -2.733 2.793 -1.558) 4.207 23.771 ( 0.328 -0.003 3.887) 3.901 23.845 ( -3.411 0.823 4.164) 5.445 24.043 ( -1.256 -2.075 -2.082) 3.196 24.118 ( 3.176 -1.300 -7.527) 8.272 24.437 ( 5.688 -3.950 4.671) 8.354 24.695 ( -0.051 -7.211 -0.475) 7.226 ======================= Grid point 53 (24/55) ======================= q-point: (-0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -7.351 5.864 -1.557) 9.532 0.715 ( 1.468 5.078 1.376) 5.462 0.878 ( -12.167 9.513 7.733) 17.272 0.951 ( 6.663 7.775 4.160) 11.052 1.082 ( -3.138 9.019 -1.435) 9.657 1.083 ( 6.208 6.591 1.105) 9.122 1.197 ( 5.631 9.076 0.307) 10.685 1.303 ( -3.728 7.455 2.765) 8.782 1.332 ( -0.126 -1.707 -1.821) 2.499 1.394 ( -1.816 5.314 1.450) 5.800 1.433 ( -0.701 4.112 -0.965) 4.281 1.477 ( 1.703 3.581 -0.927) 4.072 1.523 ( -0.414 4.584 -1.818) 4.948 1.591 ( -1.165 3.865 2.740) 4.879 1.666 ( 0.353 0.295 -0.162) 0.488 1.690 ( -0.868 -3.227 3.585) 4.901 1.742 ( -0.357 2.483 0.748) 2.617 1.785 ( -0.648 2.076 -3.825) 4.400 1.842 ( -0.445 2.666 5.485) 6.115 1.882 ( -0.580 -0.148 4.186) 4.228 1.915 ( -4.815 1.636 -0.045) 5.086 1.936 ( -4.353 0.828 0.500) 4.459 2.027 ( -1.393 0.969 -1.861) 2.519 2.043 ( 0.666 0.929 -0.387) 1.207 2.111 ( 0.240 1.964 -1.271) 2.351 2.123 ( 3.506 2.015 0.367) 4.060 2.161 ( 0.706 1.229 -0.477) 1.496 2.174 ( 2.273 2.008 0.965) 3.183 2.243 ( 1.717 -0.123 -1.969) 2.615 2.260 ( -1.919 1.385 -0.114) 2.370 2.263 ( 4.063 -0.314 -0.845) 4.162 2.397 ( 2.928 1.902 1.292) 3.723 2.432 ( 7.120 0.780 2.412) 7.558 2.481 ( -0.043 4.415 -2.847) 5.254 2.540 ( 3.051 0.468 -6.909) 7.567 2.676 ( -4.647 1.686 -10.235) 11.367 2.700 ( -1.137 -0.964 1.692) 2.255 2.842 ( 1.008 0.427 -2.759) 2.969 2.915 ( -0.601 -3.734 4.233) 5.677 2.994 ( 1.057 0.562 -1.237) 1.721 3.054 ( -0.911 -2.611 1.639) 3.214 3.083 ( 0.081 -0.690 -0.947) 1.174 3.190 ( -1.523 -0.287 0.809) 1.748 3.232 ( 2.116 1.598 2.035) 3.342 3.496 ( -0.773 -2.291 -1.645) 2.924 3.569 ( 3.828 -1.259 -3.048) 5.053 3.623 ( 0.636 -2.738 1.726) 3.299 3.649 ( -3.231 -0.308 2.948) 4.385 3.697 ( -0.722 -2.617 -0.876) 2.853 3.727 ( 0.713 -3.177 -0.299) 3.269 3.768 ( -1.145 -1.298 1.533) 2.312 3.814 ( 1.338 0.103 -0.381) 1.395 3.937 ( -1.991 0.025 3.551) 4.072 4.004 ( 2.958 -5.336 5.859) 8.459 4.073 ( -3.768 -7.913 -3.173) 9.321 4.114 ( -2.539 -4.795 -4.120) 6.812 4.287 ( -1.111 -0.835 -0.080) 1.392 4.341 ( 0.564 -1.313 3.563) 3.839 4.391 ( -5.868 1.378 -1.320) 6.171 4.533 ( 9.758 4.033 -3.946) 11.272 7.646 ( -0.309 -0.732 -0.208) 0.822 7.653 ( 0.334 -0.548 -0.113) 0.651 7.686 ( -0.118 0.240 0.671) 0.722 7.696 ( -0.844 0.559 0.228) 1.038 7.909 ( 0.601 0.404 0.741) 1.037 7.924 ( -0.701 0.456 -0.528) 0.989 7.932 ( 0.186 1.045 -0.202) 1.081 7.949 ( 0.353 1.269 -0.233) 1.337 13.021 ( -0.086 -0.200 -0.217) 0.307 13.029 ( 0.230 -0.023 -0.331) 0.403 13.056 ( 0.278 0.374 0.656) 0.805 13.065 ( -0.527 0.425 -0.103) 0.685 14.117 ( -0.232 0.157 0.264) 0.385 14.129 ( 0.030 0.093 0.277) 0.294 14.133 ( 0.082 0.127 -0.197) 0.248 14.144 ( -0.054 -0.032 -0.338) 0.344 23.512 ( 1.892 4.249 2.497) 5.279 23.577 ( -0.864 2.996 -2.448) 3.964 23.796 ( -0.547 1.044 5.068) 5.203 23.824 ( -1.211 1.680 2.018) 2.892 24.040 ( 2.663 -2.258 -2.769) 4.457 24.123 ( 1.391 -1.767 -5.787) 6.208 24.557 ( 3.164 -7.540 6.966) 10.742 24.635 ( -4.423 -6.019 -3.514) 8.254 ======================= Grid point 54 (25/55) ======================= q-point: (-0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -4.215 12.698 4.452) 14.101 0.684 ( -10.626 12.908 10.673) 19.835 0.778 ( 0.406 14.569 6.870) 16.113 0.978 ( -2.976 5.981 2.020) 6.979 1.077 ( 4.168 3.874 -0.972) 5.773 1.200 ( -2.322 7.336 -8.700) 11.615 1.215 ( 5.487 1.514 0.443) 5.709 1.307 ( 2.754 2.886 1.847) 4.396 1.365 ( 2.358 -3.051 2.538) 4.616 1.380 ( 0.199 3.810 3.457) 5.149 1.407 ( -1.454 5.203 0.691) 5.447 1.511 ( -0.507 6.848 -0.111) 6.868 1.523 ( 2.300 0.999 -1.988) 3.200 1.567 ( -0.866 3.364 -0.360) 3.492 1.665 ( -1.937 -0.599 2.007) 2.853 1.680 ( -1.992 4.697 0.842) 5.171 1.726 ( -3.415 2.011 1.070) 4.105 1.763 ( -2.093 4.367 2.243) 5.337 1.817 ( 0.079 2.075 4.280) 4.757 1.849 ( -2.357 2.037 0.939) 3.254 1.876 ( -1.444 3.418 -0.369) 3.729 1.950 ( 3.104 0.020 3.143) 4.418 1.987 ( -2.412 1.580 -0.648) 2.956 2.006 ( -4.408 3.307 -3.408) 6.479 2.113 ( 0.619 0.114 -1.143) 1.305 2.145 ( 1.230 1.838 -2.313) 3.200 2.193 ( 1.988 -0.342 0.997) 2.251 2.212 ( 1.891 -1.544 -1.770) 3.016 2.259 ( 3.117 0.620 -0.646) 3.243 2.275 ( 1.834 0.519 0.505) 1.972 2.347 ( 3.551 3.349 -1.569) 5.127 2.397 ( 0.646 1.877 0.017) 1.985 2.431 ( 0.739 1.607 -5.951) 6.208 2.506 ( -4.838 0.734 -8.150) 9.506 2.580 ( 3.114 0.184 -3.721) 4.856 2.689 ( 4.910 0.695 2.196) 5.423 2.694 ( 2.801 -0.116 3.036) 4.133 2.843 ( -0.721 -0.019 0.649) 0.970 2.890 ( -4.164 -3.055 2.580) 5.773 2.984 ( -2.735 -4.182 -2.567) 5.618 3.025 ( 0.943 1.554 -0.529) 1.893 3.104 ( 1.491 -0.257 -0.972) 1.798 3.171 ( 0.595 -0.639 0.077) 0.876 3.283 ( 0.569 -1.625 -1.559) 2.323 3.535 ( 3.394 -1.560 3.035) 4.813 3.601 ( -0.886 2.293 -1.328) 2.794 3.627 ( 2.040 -2.818 -1.705) 3.874 3.653 ( 1.132 -1.846 1.537) 2.655 3.681 ( -0.216 -0.482 0.890) 1.035 3.714 ( -1.877 -2.938 1.464) 3.782 3.789 ( 2.442 -2.321 1.953) 3.894 3.844 ( 1.964 -0.750 -1.229) 2.436 3.894 ( -3.445 -0.330 1.187) 3.659 3.938 ( -6.034 -3.280 -3.452) 7.687 3.972 ( -5.506 -6.437 -0.433) 8.482 4.101 ( -0.199 -5.476 2.418) 5.989 4.250 ( -1.680 -1.836 0.049) 2.489 4.321 ( -1.442 -0.619 -1.302) 2.040 4.400 ( 1.148 -0.266 8.042) 8.128 4.707 ( 11.082 5.524 -7.053) 14.251 7.642 ( 0.041 -0.753 -0.359) 0.835 7.656 ( -0.080 -0.193 0.041) 0.213 7.677 ( -0.491 0.124 0.077) 0.512 7.690 ( -0.424 0.082 0.640) 0.772 7.907 ( -0.505 0.416 -0.395) 0.764 7.919 ( -0.297 -0.004 -0.224) 0.372 7.936 ( 0.636 1.255 0.623) 1.539 7.960 ( 0.620 1.585 0.159) 1.710 13.018 ( 0.050 -0.089 -0.475) 0.486 13.036 ( 0.307 -0.200 0.206) 0.420 13.052 ( -0.484 0.234 -0.354) 0.644 13.063 ( -0.038 0.479 0.705) 0.854 14.113 ( -0.207 0.182 0.311) 0.416 14.130 ( -0.006 0.098 0.186) 0.210 14.133 ( -0.019 0.130 -0.193) 0.234 14.141 ( -0.028 -0.015 -0.313) 0.314 23.553 ( 3.222 3.504 -0.904) 4.845 23.609 ( 3.830 6.245 -0.383) 7.336 23.778 ( -3.003 2.308 3.199) 4.958 23.804 ( -2.144 2.646 1.599) 3.762 24.112 ( 4.505 -3.446 -2.201) 6.083 24.140 ( 3.659 -1.933 -2.362) 4.765 24.517 ( -4.504 -5.437 -5.056) 8.684 24.586 ( -5.872 -14.041 6.469) 16.537 ======================= Grid point 55 (26/55) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -2.983 13.407 6.643) 15.257 0.837 ( -6.131 12.539 11.012) 17.779 0.919 ( 0.125 4.783 -4.123) 6.316 1.154 ( 1.663 0.367 -0.212) 1.716 1.199 ( -1.618 -2.468 -0.924) 3.093 1.229 ( 2.166 8.330 -4.686) 9.800 1.361 ( 0.952 7.443 2.501) 7.910 1.409 ( 1.626 0.359 1.033) 1.960 1.450 ( -1.488 6.230 1.064) 6.493 1.500 ( 4.219 7.194 3.532) 9.057 1.514 ( -4.057 4.394 1.904) 6.276 1.544 ( 2.389 3.205 3.692) 5.441 1.572 ( -2.828 1.742 3.254) 4.649 1.666 ( 0.682 2.798 2.807) 4.022 1.669 ( 0.712 1.985 -0.539) 2.176 1.729 ( 0.162 6.676 -1.296) 6.802 1.745 ( 1.203 2.998 -0.080) 3.231 1.805 ( -3.764 3.103 0.342) 4.890 1.851 ( 1.004 -1.346 0.623) 1.791 1.918 ( -0.169 -0.303 0.262) 0.435 1.950 ( -0.087 6.030 -2.855) 6.672 1.976 ( 0.030 2.754 0.675) 2.835 2.022 ( -0.436 6.138 0.090) 6.154 2.063 ( 0.758 0.008 1.156) 1.383 2.125 ( 0.911 3.088 -0.911) 3.346 2.158 ( -1.104 -0.739 -3.284) 3.543 2.176 ( -1.145 0.262 -2.097) 2.403 2.252 ( 1.674 1.545 2.603) 3.459 2.297 ( 0.394 1.602 -0.685) 1.786 2.369 ( 0.705 1.175 -1.722) 2.201 2.386 ( -2.201 3.565 -2.424) 4.841 2.415 ( -2.601 4.753 -1.614) 5.653 2.496 ( 0.321 4.794 -4.746) 6.753 2.499 ( 2.653 1.812 -5.595) 6.452 2.670 ( 1.293 -2.644 0.778) 3.045 2.738 ( 2.058 0.344 3.381) 3.973 2.747 ( -3.606 -1.842 -0.444) 4.074 2.782 ( 2.969 4.786 2.990) 6.377 2.806 ( -3.400 2.758 -0.054) 4.378 2.878 ( 2.744 -4.909 -0.296) 5.631 3.094 ( -0.519 2.564 0.019) 2.616 3.149 ( 1.228 2.837 -1.644) 3.501 3.194 ( 2.019 -0.533 -0.679) 2.195 3.202 ( -2.093 -1.242 -0.888) 2.591 3.510 ( -2.631 -2.078 -0.834) 3.455 3.527 ( -0.224 -3.796 -0.860) 3.899 3.598 ( 0.859 -3.220 0.806) 3.429 3.628 ( 0.676 -2.269 1.314) 2.707 3.665 ( -0.490 -0.343 -0.722) 0.937 3.710 ( -0.218 -2.039 -0.081) 2.052 3.763 ( 1.375 -3.628 4.598) 6.016 3.793 ( -0.502 -3.587 -1.724) 4.011 3.815 ( -1.035 -2.567 -0.828) 2.889 3.830 ( -2.156 -0.108 -1.927) 2.894 3.911 ( 5.607 -2.747 1.139) 6.347 3.978 ( -2.196 -3.913 0.302) 4.497 4.200 ( 0.002 -1.165 0.970) 1.516 4.267 ( -0.911 -1.273 -2.042) 2.573 4.427 ( -0.369 -2.478 7.388) 7.802 4.757 ( 1.172 -7.842 -7.186) 10.701 7.644 ( -0.538 0.000 -0.133) 0.554 7.651 ( 0.822 0.164 -0.403) 0.930 7.680 ( 0.546 -0.100 0.236) 0.603 7.685 ( -0.028 -0.087 0.060) 0.109 7.912 ( -0.006 0.620 -0.137) 0.635 7.915 ( -0.256 0.774 -0.169) 0.833 7.969 ( -0.166 0.713 0.939) 1.191 7.984 ( -0.072 0.365 0.541) 0.657 13.022 ( 0.481 0.214 -0.265) 0.589 13.029 ( -0.546 0.051 -0.355) 0.653 13.060 ( 0.608 -0.050 0.591) 0.850 13.068 ( -0.300 0.009 0.392) 0.494 14.118 ( -0.040 0.299 0.304) 0.428 14.132 ( -0.025 0.066 -0.024) 0.074 14.134 ( -0.051 0.168 -0.154) 0.234 14.140 ( 0.116 -0.040 -0.139) 0.185 23.706 ( 1.598 3.336 0.238) 3.707 23.727 ( -0.704 4.063 -0.088) 4.125 23.814 ( -2.343 4.448 -0.516) 5.054 23.916 ( 6.915 2.660 -3.814) 8.333 24.097 ( -0.089 -3.542 0.695) 3.611 24.120 ( -1.461 -3.123 0.440) 3.476 24.160 ( -8.276 -6.023 5.741) 11.736 24.357 ( 2.947 -8.622 -2.430) 9.430 ======================= Grid point 56 (27/55) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.860 10.562 5.805) 12.083 0.810 ( -0.915 9.575 9.294) 13.375 0.975 ( 4.679 9.717 -0.384) 10.792 1.101 ( -3.595 -0.212 -1.224) 3.803 1.190 ( -0.436 4.202 0.066) 4.225 1.275 ( 3.632 4.048 -4.664) 7.165 1.350 ( -4.709 2.557 4.026) 6.702 1.389 ( -3.757 5.332 0.856) 6.579 1.421 ( -0.752 0.798 0.145) 1.106 1.479 ( -1.340 4.629 2.509) 5.433 1.550 ( 1.522 1.983 1.894) 3.136 1.598 ( 2.544 3.234 -0.207) 4.120 1.628 ( 2.022 3.609 2.095) 4.637 1.654 ( -2.175 4.460 0.287) 4.971 1.681 ( -1.290 6.430 1.599) 6.750 1.737 ( 0.524 4.729 -1.465) 4.979 1.755 ( -0.438 2.026 -0.163) 2.080 1.783 ( 5.098 6.083 5.544) 9.682 1.857 ( -0.902 1.394 0.733) 1.815 1.933 ( 1.633 0.966 -0.013) 1.898 1.963 ( -0.783 1.778 -3.746) 4.219 1.985 ( 1.558 1.953 -1.163) 2.756 2.011 ( 0.914 2.952 1.904) 3.630 2.073 ( -0.708 -2.334 3.590) 4.340 2.124 ( -2.778 -1.706 -2.639) 4.194 2.153 ( 2.418 5.031 3.608) 6.647 2.173 ( 2.966 1.956 -4.175) 5.482 2.260 ( -1.801 7.225 -4.124) 8.512 2.276 ( 0.062 2.551 -0.292) 2.568 2.306 ( -4.529 3.473 -0.603) 5.739 2.330 ( -3.067 1.188 -0.448) 3.319 2.412 ( 2.866 2.509 -3.085) 4.902 2.469 ( -1.121 4.166 -2.904) 5.200 2.521 ( 1.552 0.374 -4.066) 4.368 2.633 ( -5.322 3.257 -0.443) 6.255 2.694 ( -3.655 -0.834 3.072) 4.847 2.751 ( 2.558 -0.438 -3.672) 4.497 2.790 ( 2.292 0.130 3.129) 3.880 2.896 ( 4.002 3.733 -0.085) 5.474 2.947 ( 3.341 -4.653 0.527) 5.753 3.065 ( -2.063 2.152 -0.292) 2.996 3.144 ( -0.618 2.623 -1.822) 3.253 3.157 ( -1.159 0.225 -0.375) 1.239 3.223 ( 0.789 -0.742 0.003) 1.083 3.454 ( -1.856 -2.052 0.410) 2.797 3.525 ( -0.270 -3.849 0.199) 3.864 3.595 ( -1.053 -2.778 0.524) 3.017 3.619 ( -2.547 -2.204 0.684) 3.437 3.652 ( 0.399 -2.394 -1.090) 2.660 3.716 ( 0.727 -3.661 1.320) 3.959 3.759 ( -1.851 -1.528 -1.113) 2.646 3.777 ( -0.140 -1.473 0.366) 1.524 3.846 ( 2.212 -1.221 -0.397) 2.558 3.865 ( 2.738 -4.412 1.952) 5.547 3.924 ( -0.996 -3.847 0.161) 3.977 4.033 ( 5.258 -3.188 -0.634) 6.182 4.223 ( 1.779 -1.491 1.098) 2.568 4.250 ( 0.658 -1.492 -1.088) 1.960 4.422 ( -3.162 -1.551 4.872) 6.012 4.674 ( -5.441 -6.838 -5.776) 10.475 7.634 ( -0.173 -0.134 -0.453) 0.503 7.660 ( -0.078 -0.098 0.039) 0.131 7.676 ( 0.062 0.152 -0.128) 0.208 7.708 ( 1.063 -0.347 0.146) 1.128 7.909 ( -0.030 0.667 -0.170) 0.689 7.922 ( 0.754 0.887 0.071) 1.166 7.960 ( -0.833 0.598 0.460) 1.123 7.985 ( -0.311 0.650 0.578) 0.924 13.018 ( -0.254 0.087 -0.428) 0.506 13.032 ( 0.486 0.150 0.060) 0.513 13.058 ( -0.500 0.067 -0.100) 0.514 13.077 ( 0.366 -0.176 0.565) 0.696 14.120 ( 0.061 0.263 0.311) 0.412 14.131 ( -0.089 0.123 0.076) 0.170 14.133 ( 0.104 0.160 -0.248) 0.313 14.142 ( 0.151 -0.074 -0.143) 0.221 23.645 ( -3.993 5.378 -0.413) 6.711 23.753 ( -0.039 0.925 2.135) 2.327 23.775 ( -1.382 6.047 -2.412) 6.655 23.925 ( -7.993 -1.389 5.234) 9.654 24.011 ( 2.356 -2.044 -4.384) 5.380 24.081 ( -0.673 -1.638 -2.112) 2.756 24.237 ( 5.520 -3.557 2.942) 7.195 24.452 ( 5.563 -10.044 -0.269) 11.485 ======================= Grid point 57 (28/55) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 3.375 9.134 2.201) 9.983 0.874 ( 1.481 7.504 6.914) 10.310 1.023 ( 0.244 10.178 0.371) 10.188 1.070 ( -0.800 2.774 4.313) 5.190 1.172 ( -2.196 3.848 0.637) 4.477 1.218 ( -6.203 6.103 6.251) 10.715 1.321 ( 0.801 4.852 -2.912) 5.716 1.347 ( 1.132 4.364 -3.018) 5.425 1.435 ( 0.828 -0.864 1.428) 1.863 1.490 ( 0.590 6.290 1.890) 6.595 1.566 ( -0.174 3.466 -2.553) 4.309 1.585 ( -1.289 6.122 2.001) 6.568 1.617 ( 0.417 3.368 -1.099) 3.567 1.677 ( 0.636 -1.243 4.009) 4.245 1.708 ( -0.868 6.327 -0.799) 6.436 1.724 ( -1.763 0.192 -1.014) 2.043 1.750 ( 2.697 3.871 -0.557) 4.751 1.849 ( -0.299 4.007 1.419) 4.262 1.868 ( -0.991 -0.152 3.709) 3.842 1.885 ( -2.768 -1.674 -4.869) 5.845 1.973 ( 2.095 2.980 2.225) 4.268 2.024 ( -1.094 0.015 1.348) 1.736 2.052 ( 2.699 -0.593 -2.820) 3.948 2.076 ( -1.069 2.333 0.257) 2.579 2.107 ( 1.897 0.695 1.811) 2.713 2.150 ( -1.304 0.514 1.061) 1.758 2.176 ( -2.547 4.711 1.270) 5.504 2.223 ( -0.953 4.849 -0.469) 4.964 2.247 ( -0.387 2.085 -4.065) 4.585 2.280 ( 1.679 4.079 -1.639) 4.706 2.341 ( 5.030 7.637 0.447) 9.155 2.426 ( -2.937 3.902 0.919) 4.970 2.449 ( 1.851 4.630 -5.761) 7.619 2.508 ( 0.995 6.833 -1.077) 6.988 2.570 ( -0.218 0.916 -2.011) 2.220 2.661 ( -1.541 -3.557 3.366) 5.134 2.788 ( 3.116 -1.123 -4.390) 5.500 2.840 ( -0.215 -1.013 4.410) 4.530 2.911 ( -1.660 4.875 -5.466) 7.511 2.968 ( -0.249 -4.995 -1.133) 5.128 3.033 ( -0.955 1.662 0.813) 2.083 3.120 ( -0.808 2.959 -1.725) 3.519 3.165 ( 1.823 0.582 0.674) 2.029 3.231 ( -0.222 -1.703 0.566) 1.809 3.445 ( 0.401 -3.512 0.346) 3.552 3.508 ( -1.153 -2.318 -0.738) 2.692 3.572 ( -0.993 -1.865 -0.174) 2.120 3.607 ( 0.174 -4.602 1.865) 4.968 3.641 ( -0.295 -2.882 -1.471) 3.249 3.695 ( -2.038 -2.217 0.874) 3.136 3.765 ( -0.725 -1.987 1.629) 2.670 3.806 ( 2.739 -2.179 3.319) 4.823 3.826 ( -0.909 -0.371 -0.850) 1.299 3.909 ( 1.567 -1.929 1.470) 2.888 3.956 ( 0.766 -6.063 0.734) 6.155 4.083 ( 0.671 -2.711 -2.285) 3.609 4.246 ( 0.798 -1.381 1.136) 1.958 4.309 ( 1.368 -3.496 0.935) 3.869 4.397 ( 2.901 -1.494 -0.677) 3.333 4.524 ( -7.098 -4.199 -3.301) 8.883 7.634 ( 0.414 -0.289 -0.456) 0.681 7.650 ( -0.653 -0.112 -0.401) 0.775 7.684 ( 0.439 0.169 0.409) 0.623 7.716 ( -0.267 -0.252 0.098) 0.380 7.910 ( 0.166 0.784 0.319) 0.862 7.939 ( 0.606 0.693 0.010) 0.921 7.949 ( -0.195 0.742 -0.079) 0.772 7.977 ( -0.698 0.849 0.319) 1.144 13.016 ( 0.136 0.045 -0.155) 0.211 13.036 ( -0.129 0.232 -0.070) 0.274 13.053 ( 0.161 0.052 -0.034) 0.172 13.079 ( -0.301 -0.145 0.146) 0.364 14.122 ( -0.024 0.233 0.261) 0.351 14.130 ( -0.033 0.150 0.124) 0.198 14.135 ( 0.135 0.152 -0.186) 0.275 14.144 ( 0.064 -0.098 -0.193) 0.226 23.594 ( -0.847 5.895 0.373) 5.968 23.701 ( -3.892 3.728 -1.690) 5.648 23.773 ( 0.589 0.278 4.334) 4.383 23.865 ( -1.248 1.036 2.041) 2.607 23.994 ( -0.941 -2.431 -1.636) 3.078 24.087 ( 1.658 -1.617 -4.897) 5.417 24.345 ( 3.855 -4.850 2.918) 6.848 24.519 ( 1.063 -9.662 -0.370) 9.727 ======================= Grid point 58 (29/55) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.754 11.655 2.346) 12.467 0.870 ( -1.681 10.157 4.347) 11.175 1.033 ( -4.188 6.685 5.183) 9.439 1.102 ( 4.462 7.910 3.493) 9.730 1.174 ( 1.363 4.448 0.614) 4.693 1.192 ( 1.492 -1.133 4.744) 5.101 1.325 ( -0.121 1.778 -3.557) 3.978 1.368 ( 2.351 4.884 -1.291) 5.572 1.435 ( -1.712 5.779 0.693) 6.067 1.473 ( -2.097 2.688 -0.266) 3.420 1.543 ( -1.735 3.299 0.249) 3.736 1.604 ( 0.574 5.733 1.835) 6.046 1.625 ( -4.122 7.299 -1.297) 8.482 1.636 ( 1.333 -0.660 -0.126) 1.493 1.694 ( -2.355 2.647 0.678) 3.607 1.710 ( 0.467 4.392 0.872) 4.502 1.781 ( 1.528 2.564 -0.498) 3.027 1.834 ( -0.135 2.015 -1.066) 2.284 1.869 ( 1.206 -1.288 0.105) 1.767 1.875 ( 1.346 1.821 3.044) 3.793 1.929 ( -6.487 1.310 0.718) 6.657 2.014 ( -2.745 3.641 -1.030) 4.675 2.031 ( 2.796 1.399 1.890) 3.653 2.097 ( 1.534 -2.212 -2.640) 3.770 2.111 ( -0.953 0.521 -0.313) 1.130 2.140 ( -0.200 2.709 0.232) 2.726 2.200 ( 0.392 0.140 1.012) 1.094 2.210 ( 1.120 3.832 -1.291) 4.196 2.277 ( 2.761 4.475 -0.347) 5.269 2.301 ( 0.523 3.402 -0.694) 3.511 2.351 ( -0.455 8.161 -0.312) 8.179 2.426 ( 2.431 1.917 -2.804) 4.177 2.496 ( 1.000 2.229 -0.786) 2.567 2.552 ( 2.304 3.155 -2.319) 4.543 2.582 ( 4.735 4.487 4.098) 7.703 2.661 ( 0.331 -1.938 0.851) 2.142 2.775 ( -5.276 7.926 -10.519) 14.188 2.819 ( 1.256 -4.830 -2.078) 5.406 2.855 ( -0.937 -0.014 2.295) 2.479 2.947 ( -1.898 -3.514 0.493) 4.024 3.040 ( 0.907 1.712 1.596) 2.510 3.102 ( 0.174 2.075 -1.531) 2.585 3.181 ( -1.637 -0.757 0.548) 1.885 3.238 ( 1.277 -0.851 -0.182) 1.546 3.460 ( 0.968 -1.524 0.837) 1.990 3.498 ( 1.045 -4.068 -1.268) 4.387 3.578 ( 1.783 -2.158 0.424) 2.831 3.602 ( -0.729 -5.590 -0.375) 5.650 3.657 ( 0.559 0.641 1.748) 1.944 3.677 ( 0.716 -2.261 0.661) 2.461 3.745 ( -1.793 -1.091 1.042) 2.343 3.807 ( 0.271 -0.745 -0.704) 1.061 3.897 ( 1.640 -4.371 2.716) 5.401 3.911 ( -1.434 -6.289 -0.097) 6.451 3.941 ( -2.425 -1.818 3.057) 4.305 4.053 ( -2.068 -1.927 -3.292) 4.339 4.255 ( -1.821 -2.348 -0.340) 2.990 4.298 ( 0.629 -2.906 2.869) 4.132 4.388 ( -5.001 -1.680 -1.510) 5.487 4.536 ( 9.605 -3.494 -3.131) 10.690 7.637 ( -0.296 -0.141 -0.492) 0.591 7.643 ( 0.546 -0.247 -0.338) 0.688 7.692 ( -0.042 0.140 0.552) 0.571 7.702 ( -0.938 -0.046 -0.004) 0.939 7.920 ( 0.402 0.618 0.600) 0.950 7.932 ( -0.485 0.356 -0.379) 0.711 7.956 ( -0.139 1.199 0.051) 1.208 7.970 ( 0.322 0.764 0.255) 0.867 13.019 ( 0.098 0.062 0.051) 0.127 13.032 ( 0.027 0.233 -0.510) 0.561 13.060 ( 0.321 0.029 0.626) 0.704 13.069 ( -0.629 -0.130 -0.269) 0.696 14.121 ( -0.183 0.261 0.230) 0.393 14.131 ( 0.041 0.121 0.120) 0.175 14.136 ( 0.056 0.139 -0.102) 0.181 14.142 ( -0.053 -0.082 -0.242) 0.261 23.608 ( 0.933 4.995 0.981) 5.175 23.652 ( 0.879 4.314 -1.302) 4.591 23.817 ( 1.041 0.843 5.185) 5.356 23.862 ( -0.292 1.824 0.779) 2.005 23.985 ( 1.492 -2.935 -2.450) 4.104 24.082 ( 0.652 -2.183 -4.714) 5.235 24.402 ( -0.432 -7.276 4.731) 8.690 24.488 ( -3.406 -8.196 -2.166) 9.136 ======================= Grid point 59 (30/55) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -1.775 11.338 4.477) 12.319 0.881 ( -3.323 12.353 11.515) 17.211 0.986 ( -3.173 6.466 0.698) 7.236 1.116 ( 0.879 4.234 -2.624) 5.058 1.218 ( 0.377 -2.187 1.174) 2.511 1.242 ( -1.708 5.384 -4.815) 7.422 1.326 ( 4.891 3.071 3.148) 6.578 1.396 ( -3.460 5.048 -0.980) 6.198 1.417 ( 0.457 10.213 2.411) 10.504 1.434 ( 2.739 4.546 1.104) 5.421 1.522 ( -0.554 6.761 0.700) 6.819 1.570 ( -0.731 2.565 -0.164) 2.672 1.603 ( -2.602 4.470 2.330) 5.672 1.643 ( 0.117 0.560 -0.299) 0.646 1.686 ( -0.280 -1.842 2.943) 3.483 1.706 ( -0.198 5.622 0.762) 5.677 1.767 ( -2.354 2.899 -0.514) 3.770 1.828 ( -2.598 -2.089 2.447) 4.136 1.860 ( 0.524 2.221 -1.540) 2.753 1.904 ( 1.468 0.571 0.956) 1.843 1.939 ( 2.589 3.955 0.935) 4.819 1.981 ( -0.165 4.849 0.326) 4.863 2.049 ( -1.562 1.999 -2.817) 3.791 2.068 ( -2.234 3.380 1.764) 4.420 2.110 ( 1.270 -1.220 0.367) 1.799 2.181 ( 1.652 1.287 -0.561) 2.169 2.199 ( 0.794 2.786 -0.108) 2.899 2.222 ( -3.065 2.505 -3.207) 5.094 2.251 ( 4.397 -0.884 -2.119) 4.960 2.343 ( 1.434 3.530 0.305) 3.822 2.402 ( 1.975 4.588 0.992) 5.093 2.447 ( 0.853 2.992 -0.430) 3.141 2.479 ( 0.226 0.301 -3.332) 3.353 2.587 ( -2.881 7.635 -8.806) 12.005 2.613 ( 2.317 4.547 -2.345) 5.617 2.664 ( 0.644 -0.601 -1.437) 1.686 2.731 ( 3.982 1.771 4.895) 6.554 2.818 ( -2.365 -2.678 2.508) 4.365 2.849 ( 0.446 -3.133 -1.904) 3.693 2.887 ( -4.666 -1.184 1.345) 4.998 3.078 ( 1.904 2.434 0.810) 3.195 3.119 ( 2.082 2.328 -1.305) 3.384 3.159 ( 0.488 -0.489 -0.493) 0.849 3.240 ( -0.831 -1.622 -0.900) 2.033 3.506 ( 2.822 -1.573 0.664) 3.298 3.516 ( 0.975 -5.778 -0.511) 5.882 3.589 ( -0.257 -4.794 0.532) 4.831 3.638 ( 2.556 -0.989 -1.367) 3.063 3.650 ( -0.424 -0.204 -0.779) 0.910 3.700 ( -1.388 0.286 3.864) 4.116 3.739 ( 1.709 -2.736 1.674) 3.634 3.813 ( 0.842 -2.403 -0.948) 2.717 3.830 ( -3.546 -4.347 -0.354) 5.621 3.879 ( -3.236 -1.234 0.039) 3.464 3.924 ( -3.387 -1.732 -1.354) 4.038 4.001 ( -1.112 -4.117 0.888) 4.356 4.212 ( -1.631 -1.714 0.134) 2.370 4.301 ( -1.574 -1.659 -1.867) 2.952 4.371 ( 1.787 -2.614 6.061) 6.838 4.693 ( 8.075 -5.660 -5.359) 11.223 7.636 ( 0.540 0.126 -0.529) 0.767 7.650 ( 0.239 -0.251 0.030) 0.347 7.680 ( -0.804 0.085 -0.177) 0.827 7.692 ( -0.467 0.030 0.477) 0.669 7.916 ( -0.359 0.505 -0.315) 0.695 7.927 ( -0.594 0.618 0.055) 0.859 7.957 ( 0.563 0.901 0.539) 1.192 7.981 ( 0.264 0.574 0.567) 0.849 13.019 ( 0.040 0.184 -0.414) 0.455 13.035 ( 0.189 0.088 0.178) 0.274 13.055 ( -0.392 -0.051 -0.375) 0.545 13.068 ( 0.034 0.032 0.758) 0.759 14.118 ( -0.173 0.296 0.262) 0.431 14.132 ( 0.014 0.086 0.051) 0.101 14.136 ( -0.035 0.141 -0.098) 0.175 14.140 ( -0.033 -0.047 -0.219) 0.226 23.639 ( 2.981 4.856 -0.172) 5.701 23.713 ( 3.822 4.364 -0.462) 5.820 23.838 ( -0.659 2.992 2.582) 4.007 23.859 ( -0.305 2.704 0.349) 2.744 24.031 ( 3.899 -4.399 -1.717) 6.124 24.089 ( 2.578 -2.964 -2.145) 4.475 24.350 ( -8.547 -8.784 4.878) 13.191 24.392 ( -3.782 -7.390 -2.752) 8.746 ======================= Grid point 60 (31/55) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.982 11.033 7.408) 13.436 1.033 ( 0.711 6.498 0.530) 6.558 1.074 ( -4.533 8.706 2.972) 10.256 1.162 ( -2.247 0.594 1.311) 2.668 1.197 ( 1.163 1.970 -0.997) 2.495 1.310 ( 1.248 -2.234 0.584) 2.625 1.400 ( 3.135 0.255 0.645) 3.211 1.408 ( -2.075 3.729 -1.297) 4.461 1.514 ( 1.265 -1.128 0.809) 1.878 1.521 ( -3.680 0.689 0.281) 3.754 1.585 ( -2.313 2.684 1.768) 3.960 1.610 ( 2.000 2.723 0.721) 3.454 1.651 ( -0.552 0.133 1.493) 1.597 1.710 ( -0.442 1.934 -1.837) 2.704 1.741 ( 2.293 -0.201 0.362) 2.330 1.773 ( 2.125 -1.443 -1.466) 2.957 1.793 ( 0.456 3.150 4.439) 5.462 1.844 ( -0.553 0.649 1.609) 1.821 1.859 ( 0.433 3.224 0.517) 3.294 1.908 ( -1.359 0.081 0.276) 1.389 2.014 ( -1.169 -1.067 -1.222) 2.000 2.051 ( 0.478 2.846 -1.418) 3.215 2.058 ( 1.339 4.053 -0.710) 4.327 2.094 ( -3.351 -0.370 1.746) 3.797 2.131 ( 2.172 -0.148 -1.962) 2.931 2.187 ( 2.184 1.976 -1.891) 3.500 2.257 ( -1.934 4.790 0.388) 5.180 2.290 ( 1.877 3.778 2.373) 4.840 2.318 ( 1.553 2.160 -1.831) 3.230 2.356 ( -1.634 -0.977 -1.958) 2.731 2.432 ( -0.840 0.083 -2.662) 2.793 2.449 ( 0.040 -2.256 -0.906) 2.431 2.540 ( 0.816 2.886 1.987) 3.597 2.620 ( -0.192 -2.370 0.581) 2.448 2.698 ( -0.356 2.917 -3.802) 4.805 2.709 ( -1.611 3.686 -3.431) 5.287 2.732 ( -1.961 2.979 0.270) 3.577 2.792 ( 3.348 -2.107 -0.585) 3.999 2.867 ( -0.585 1.885 0.830) 2.141 2.908 ( 2.989 4.817 0.393) 5.682 3.134 ( -0.743 1.984 0.977) 2.333 3.172 ( 0.336 0.137 -0.476) 0.598 3.231 ( 0.655 4.654 0.365) 4.714 3.263 ( -0.570 6.125 -0.621) 6.183 3.423 ( 0.278 -3.827 0.760) 3.912 3.454 ( -0.460 -5.106 0.695) 5.173 3.567 ( -0.199 1.353 -0.391) 1.422 3.624 ( 0.141 -0.315 -0.489) 0.598 3.640 ( 0.831 -2.309 -1.103) 2.691 3.667 ( -1.717 -1.925 -0.842) 2.713 3.702 ( -0.520 -3.626 0.864) 3.763 3.725 ( 1.107 -4.002 0.944) 4.258 3.746 ( -0.169 -1.650 0.937) 1.905 3.819 ( -3.154 -1.769 -2.612) 4.461 3.878 ( 1.395 -0.145 0.732) 1.582 3.922 ( 1.294 -1.780 0.684) 2.304 4.211 ( -0.134 2.909 0.489) 2.953 4.247 ( -0.425 -0.340 -1.220) 1.336 4.352 ( 0.518 -4.453 4.551) 6.388 4.561 ( 0.133 -11.361 -4.106) 12.081 7.648 ( -0.421 0.408 0.006) 0.586 7.658 ( 0.646 0.459 -0.378) 0.878 7.674 ( 0.635 -0.474 0.151) 0.807 7.680 ( -0.395 -0.383 -0.106) 0.560 7.927 ( 0.122 0.763 0.046) 0.774 7.931 ( -0.201 0.684 0.038) 0.714 7.977 ( -0.197 0.160 0.540) 0.597 7.984 ( -0.047 -0.247 0.380) 0.455 13.028 ( 0.351 0.442 -0.148) 0.584 13.034 ( -0.475 0.377 -0.296) 0.675 13.055 ( 0.524 -0.408 0.493) 0.827 13.063 ( -0.309 -0.513 0.292) 0.667 14.124 ( -0.033 0.309 0.206) 0.373 14.132 ( -0.014 -0.060 -0.020) 0.065 14.137 ( -0.025 0.122 -0.109) 0.165 14.139 ( 0.069 -0.037 -0.077) 0.109 23.764 ( -0.341 2.597 0.051) 2.620 23.796 ( -0.809 2.305 -0.766) 2.560 23.896 ( 0.421 3.810 0.328) 3.847 23.945 ( 3.388 0.635 -2.145) 4.060 24.043 ( 1.300 -1.733 2.060) 2.989 24.059 ( 0.141 -3.729 1.521) 4.029 24.083 ( -4.911 -1.136 1.019) 5.143 24.195 ( 0.466 -7.360 -2.055) 7.656 ======================= Grid point 61 (32/55) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -1.487 12.238 3.718) 12.876 1.010 ( -2.208 9.841 4.982) 11.249 1.123 ( -1.081 2.210 0.892) 2.617 1.134 ( 4.798 5.244 1.999) 7.384 1.211 ( -0.042 0.020 0.057) 0.074 1.316 ( -1.551 -4.924 2.793) 5.870 1.384 ( 0.695 4.526 -2.346) 5.145 1.443 ( -2.563 2.252 4.025) 5.277 1.464 ( -1.598 2.531 -1.048) 3.172 1.536 ( 1.533 -0.086 0.185) 1.547 1.584 ( 2.805 1.470 0.446) 3.198 1.633 ( -2.119 -1.133 1.210) 2.690 1.653 ( 0.023 0.698 1.537) 1.688 1.675 ( -0.239 2.366 -1.029) 2.591 1.761 ( -0.817 0.381 -1.796) 2.010 1.784 ( -0.312 0.939 0.712) 1.219 1.823 ( 0.572 1.956 0.009) 2.038 1.843 ( 0.955 -0.727 -1.125) 1.645 1.878 ( 0.825 1.239 -0.448) 1.554 1.921 ( 1.192 -0.863 3.053) 3.389 1.960 ( -3.848 0.451 -0.275) 3.884 2.006 ( -0.462 -2.288 3.235) 3.989 2.072 ( 1.132 3.468 -2.728) 4.555 2.095 ( -2.189 4.608 0.479) 5.124 2.159 ( -2.416 2.312 1.595) 3.705 2.194 ( 3.968 -0.889 -0.638) 4.116 2.235 ( -0.178 3.812 0.057) 3.817 2.293 ( -1.569 0.762 -4.152) 4.503 2.315 ( -0.359 1.823 -1.800) 2.587 2.376 ( 2.404 2.346 1.072) 3.526 2.423 ( 0.783 0.429 -1.796) 2.006 2.447 ( 1.629 0.491 -2.404) 2.946 2.544 ( -0.861 2.557 1.412) 3.046 2.612 ( -1.348 -0.048 0.725) 1.531 2.622 ( -1.251 7.811 -4.931) 9.322 2.709 ( -0.969 1.989 0.911) 2.393 2.733 ( 2.158 -1.598 -1.035) 2.878 2.843 ( 1.914 2.591 -0.427) 3.249 2.898 ( 2.652 3.097 0.213) 4.083 2.968 ( 2.903 0.024 -1.558) 3.295 3.107 ( -2.035 2.399 1.001) 3.301 3.157 ( -1.412 -0.559 0.013) 1.519 3.205 ( -1.842 4.725 -0.099) 5.073 3.259 ( -0.621 4.293 -0.283) 4.347 3.422 ( -1.310 -1.625 -0.401) 2.125 3.448 ( 0.714 -3.691 0.976) 3.884 3.551 ( -1.683 -1.693 0.885) 2.546 3.568 ( -3.566 -2.239 -0.687) 4.266 3.620 ( -0.677 -1.358 -1.375) 2.047 3.653 ( -0.052 -2.144 0.635) 2.237 3.730 ( -0.688 -1.384 0.113) 1.550 3.747 ( 1.268 -1.119 0.169) 1.700 3.787 ( 2.631 -3.313 2.037) 4.695 3.818 ( 3.675 -3.024 1.298) 4.933 3.881 ( -1.085 0.599 -0.853) 1.505 3.978 ( 4.282 -2.508 -1.124) 5.088 4.210 ( 0.219 0.660 0.411) 0.808 4.237 ( -0.274 0.710 -0.453) 0.885 4.357 ( -1.995 -4.470 2.749) 5.614 4.502 ( -3.488 -9.817 -3.475) 10.982 7.639 ( -0.245 0.705 -0.271) 0.794 7.662 ( -0.155 0.261 -0.161) 0.343 7.676 ( 0.189 -0.227 -0.136) 0.325 7.693 ( 0.824 -1.015 0.180) 1.320 7.926 ( -0.022 0.899 -0.085) 0.904 7.938 ( 0.598 0.548 0.186) 0.833 7.968 ( -0.622 0.353 0.235) 0.753 7.987 ( -0.102 -0.333 0.512) 0.619 13.025 ( -0.255 0.513 -0.264) 0.631 13.037 ( 0.444 0.304 0.055) 0.541 13.055 ( -0.420 -0.317 -0.146) 0.546 13.066 ( 0.248 -0.736 0.541) 0.946 14.125 ( 0.048 0.281 0.209) 0.354 14.132 ( 0.007 -0.011 -0.001) 0.013 14.136 ( 0.050 0.143 -0.121) 0.194 14.140 ( 0.086 -0.094 -0.083) 0.152 23.729 ( -2.579 3.123 0.237) 4.057 23.771 ( -1.178 0.634 0.731) 1.524 23.879 ( -4.611 3.603 -2.067) 6.206 23.905 ( -4.723 -0.517 2.513) 5.375 23.981 ( 0.852 0.002 -1.259) 1.520 24.056 ( 0.564 -0.911 -1.990) 2.260 24.175 ( 5.255 -2.436 1.711) 6.040 24.267 ( 5.326 -8.070 0.298) 9.674 ======================= Grid point 62 (33/55) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 3.183 11.606 2.270) 12.247 1.052 ( 2.467 9.434 6.872) 11.929 1.112 ( -0.273 2.783 1.709) 3.277 1.186 ( -2.857 2.325 1.798) 4.099 1.214 ( 1.450 3.199 -0.355) 3.530 1.304 ( -3.177 0.123 5.934) 6.733 1.367 ( -1.069 1.776 3.046) 3.685 1.400 ( -0.176 0.946 -1.573) 1.844 1.432 ( -0.340 2.243 -2.835) 3.631 1.552 ( -5.217 -2.821 1.391) 6.092 1.583 ( 2.204 0.647 0.575) 2.368 1.644 ( -1.339 0.444 2.280) 2.681 1.665 ( 1.493 2.135 -1.604) 3.059 1.694 ( 2.658 -1.591 -0.388) 3.121 1.739 ( 0.857 3.201 -0.565) 3.362 1.778 ( -0.317 2.220 -0.854) 2.400 1.828 ( -0.491 0.182 -0.223) 0.569 1.852 ( -3.884 1.642 -0.343) 4.231 1.858 ( 1.231 0.547 0.409) 1.408 1.907 ( -0.341 2.912 -1.295) 3.205 1.942 ( 1.126 -3.825 1.241) 4.176 2.033 ( -1.254 0.556 0.456) 1.446 2.062 ( -1.191 0.976 -0.503) 1.620 2.070 ( 2.550 -0.829 2.750) 3.841 2.152 ( -4.031 -0.551 2.472) 4.761 2.198 ( 0.566 2.784 -2.743) 3.949 2.229 ( 0.365 1.137 -0.208) 1.212 2.286 ( -0.162 3.463 -2.993) 4.580 2.316 ( 3.066 3.000 -2.332) 4.882 2.368 ( -0.384 3.316 -1.285) 3.577 2.446 ( 0.911 1.809 -0.296) 2.047 2.484 ( 1.864 0.530 -4.113) 4.547 2.546 ( -0.061 0.737 1.660) 1.817 2.594 ( -0.173 1.844 -0.160) 1.859 2.614 ( 2.016 5.105 -0.284) 5.495 2.689 ( -1.162 5.453 -0.171) 5.578 2.746 ( -0.067 -0.631 -0.957) 1.148 2.874 ( 1.282 3.855 1.030) 4.191 2.939 ( 1.018 2.582 -1.513) 3.161 2.976 ( -0.773 1.197 -3.391) 3.678 3.080 ( -1.085 2.370 1.287) 2.907 3.134 ( -0.600 -1.190 0.378) 1.386 3.202 ( 1.482 2.972 -0.367) 3.341 3.229 ( -1.992 2.528 -0.505) 3.258 3.406 ( 0.260 -0.288 0.407) 0.563 3.459 ( -0.077 -2.830 -0.466) 2.869 3.525 ( -0.497 -2.828 -0.448) 2.906 3.528 ( -1.179 -2.472 0.675) 2.820 3.610 ( -0.055 -0.816 0.933) 1.240 3.642 ( -0.520 -2.856 0.773) 3.004 3.731 ( -0.288 -0.719 2.289) 2.417 3.774 ( 1.107 -1.217 1.550) 2.261 3.819 ( -1.245 -1.217 0.369) 1.780 3.842 ( -0.534 -3.737 0.345) 3.790 3.902 ( 2.685 0.411 0.286) 2.731 4.034 ( 1.715 -2.956 -2.505) 4.237 4.227 ( -0.133 -0.979 0.558) 1.135 4.238 ( 1.013 -1.708 0.134) 1.991 4.334 ( 0.935 -4.202 -0.522) 4.336 4.414 ( -4.124 -6.349 -1.516) 7.722 7.638 ( 0.180 0.631 -0.311) 0.726 7.653 ( -0.404 0.395 -0.517) 0.766 7.683 ( 0.367 -0.256 0.244) 0.509 7.701 ( -0.064 -1.086 0.165) 1.101 7.927 ( 0.152 0.859 0.092) 0.878 7.945 ( -0.107 0.019 -0.177) 0.207 7.965 ( 0.335 0.745 0.292) 0.867 7.984 ( -0.474 -0.086 0.401) 0.627 13.022 ( 0.071 0.556 -0.058) 0.564 13.043 ( -0.095 0.413 -0.097) 0.434 13.049 ( 0.169 -0.423 -0.089) 0.464 13.068 ( -0.260 -0.807 0.232) 0.879 14.127 ( -0.005 0.260 0.184) 0.319 14.132 ( 0.001 0.054 0.041) 0.068 14.137 ( 0.089 0.109 -0.110) 0.179 14.141 ( 0.034 -0.130 -0.106) 0.171 23.691 ( -0.978 3.770 0.347) 3.911 23.748 ( -2.624 0.551 0.022) 2.681 23.795 ( -1.061 2.092 2.944) 3.764 23.868 ( -0.878 -1.080 0.314) 1.427 23.974 ( -0.300 1.051 -2.509) 2.736 24.060 ( 0.792 -1.253 -3.991) 4.257 24.264 ( 2.688 -2.978 2.165) 4.558 24.347 ( 1.895 -7.210 1.095) 7.535 ======================= Grid point 63 (34/55) ======================= q-point: (-0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -4.360 10.379 2.782) 11.596 1.075 ( -0.377 9.337 5.439) 10.812 1.130 ( 1.057 2.723 1.126) 3.130 1.188 ( -0.063 1.465 2.257) 2.691 1.238 ( -3.430 1.878 3.137) 5.014 1.247 ( 2.048 5.714 3.982) 7.259 1.367 ( -1.798 1.027 0.563) 2.146 1.390 ( 1.472 1.932 -2.292) 3.339 1.462 ( 0.241 -1.997 0.082) 2.013 1.523 ( 4.928 -2.175 2.048) 5.763 1.572 ( -2.571 1.857 -0.721) 3.253 1.620 ( -2.643 4.360 1.394) 5.286 1.669 ( 0.116 -1.456 0.263) 1.484 1.703 ( 0.936 1.251 -0.760) 1.737 1.757 ( -2.320 -1.670 -2.602) 3.865 1.795 ( 1.078 4.186 -1.915) 4.727 1.804 ( -0.903 2.948 1.205) 3.310 1.833 ( 2.007 -1.947 1.200) 3.043 1.882 ( 0.903 2.019 0.671) 2.311 1.912 ( -0.634 2.086 -1.847) 2.858 1.934 ( -1.266 -2.272 3.510) 4.368 2.011 ( -0.700 -1.971 0.475) 2.145 2.061 ( 1.113 0.373 -0.522) 1.284 2.087 ( -1.989 3.090 0.547) 3.715 2.136 ( 2.679 1.165 0.211) 2.929 2.162 ( -0.068 -1.484 -3.858) 4.134 2.236 ( -1.509 4.518 3.515) 5.920 2.309 ( 1.575 1.881 -3.592) 4.350 2.339 ( 1.776 1.990 -1.358) 2.993 2.361 ( -0.121 4.511 -2.238) 5.037 2.449 ( -0.209 -0.368 -0.877) 0.973 2.483 ( 0.616 0.803 -3.136) 3.295 2.534 ( -1.354 0.600 1.595) 2.177 2.606 ( 0.777 5.363 -1.067) 5.523 2.651 ( 0.036 -1.385 0.654) 1.532 2.690 ( 2.323 2.743 -0.677) 3.658 2.750 ( 1.214 3.543 1.435) 4.011 2.881 ( -2.375 3.718 -1.894) 4.801 2.905 ( -1.912 2.341 -3.322) 4.491 2.948 ( -0.344 2.443 0.001) 2.467 3.085 ( 0.605 2.652 1.677) 3.196 3.132 ( 0.520 -0.056 -0.327) 0.617 3.186 ( -1.301 2.623 -0.301) 2.943 3.239 ( 1.841 1.676 -0.597) 2.560 3.422 ( 0.122 -1.278 0.520) 1.385 3.458 ( 0.196 -0.980 -0.887) 1.336 3.513 ( 0.226 -2.482 -0.180) 2.499 3.533 ( 1.940 -2.269 0.119) 2.988 3.627 ( 0.578 -2.746 0.855) 2.934 3.668 ( 2.176 -0.373 1.911) 2.920 3.725 ( -1.240 -0.755 1.713) 2.245 3.781 ( -1.546 -2.692 -0.057) 3.105 3.802 ( -0.633 -2.631 0.895) 2.850 3.831 ( -0.074 -2.549 1.612) 3.017 3.921 ( -1.177 -0.330 0.859) 1.494 4.014 ( -2.146 -2.574 -3.438) 4.802 4.216 ( -0.825 -0.618 0.014) 1.031 4.249 ( 0.658 -1.371 1.039) 1.842 4.334 ( -2.934 -3.397 -0.886) 4.575 4.419 ( 6.524 -7.478 -1.467) 10.031 7.640 ( 0.083 0.484 -0.160) 0.516 7.647 ( 0.188 0.537 -0.659) 0.871 7.688 ( -0.123 -0.479 0.291) 0.574 7.694 ( -0.555 -0.668 0.127) 0.877 7.932 ( 0.067 0.539 0.193) 0.576 7.938 ( -0.218 0.240 -0.234) 0.400 7.973 ( -0.235 0.524 0.183) 0.603 7.979 ( 0.240 0.164 0.454) 0.539 13.025 ( 0.115 0.507 0.124) 0.535 13.038 ( -0.028 0.319 -0.553) 0.639 13.056 ( 0.207 -0.450 0.473) 0.684 13.061 ( -0.422 -0.571 -0.053) 0.712 14.126 ( -0.128 0.281 0.165) 0.350 14.133 ( 0.012 0.034 0.055) 0.065 14.138 ( 0.031 0.077 -0.080) 0.115 14.141 ( -0.033 -0.099 -0.131) 0.167 23.696 ( 0.625 3.651 0.634) 3.758 23.726 ( 1.730 2.652 -0.155) 3.170 23.829 ( 1.759 0.555 4.194) 4.582 23.875 ( 1.234 -0.964 0.068) 1.567 23.952 ( -0.247 0.443 -2.918) 2.962 24.041 ( -0.207 -2.069 -4.691) 5.131 24.291 ( -1.554 -3.701 3.179) 5.120 24.343 ( -2.580 -5.924 0.072) 6.462 ======================= Grid point 64 (35/55) ======================= q-point: (-0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -1.570 10.507 3.835) 11.295 1.101 ( -4.322 4.863 4.762) 8.063 1.109 ( -1.647 7.780 2.946) 8.481 1.184 ( -1.008 -0.132 2.213) 2.436 1.195 ( -0.543 3.373 -0.311) 3.431 1.290 ( 0.574 -0.137 -0.116) 0.601 1.353 ( 0.859 0.127 0.389) 0.951 1.444 ( 1.287 4.760 1.475) 5.147 1.481 ( 0.759 -0.216 -1.046) 1.310 1.540 ( 3.045 1.353 -1.129) 3.518 1.579 ( -2.245 1.447 2.582) 3.715 1.634 ( -0.626 2.568 2.948) 3.959 1.657 ( -0.506 -0.920 0.245) 1.079 1.701 ( 1.328 0.004 -0.386) 1.383 1.719 ( -1.530 1.892 -3.035) 3.890 1.747 ( -0.039 2.307 -0.191) 2.315 1.792 ( -1.890 2.246 1.800) 3.443 1.841 ( -0.984 -1.676 1.051) 2.209 1.878 ( -0.509 4.473 -0.403) 4.520 1.933 ( -1.299 0.178 2.311) 2.657 1.970 ( 4.261 0.587 2.100) 4.787 2.012 ( 1.267 -2.685 -1.464) 3.310 2.074 ( -0.495 3.337 -1.495) 3.690 2.086 ( 2.399 0.752 -1.735) 3.055 2.132 ( 0.813 -0.050 -1.461) 1.673 2.217 ( 0.081 -1.370 -1.316) 1.902 2.235 ( 0.281 2.649 4.589) 5.306 2.259 ( -0.837 4.635 -2.163) 5.183 2.333 ( -0.844 6.873 -3.898) 7.947 2.380 ( 0.554 1.208 -0.139) 1.336 2.440 ( 0.570 -2.489 -2.688) 3.707 2.473 ( -0.648 0.407 -1.946) 2.092 2.519 ( -0.566 2.414 2.200) 3.315 2.627 ( 0.323 -0.724 -0.877) 1.182 2.657 ( 1.903 -0.285 2.316) 3.011 2.724 ( 1.953 -4.048 -2.092) 4.957 2.782 ( -0.964 2.791 -2.014) 3.575 2.813 ( -2.867 6.609 -4.632) 8.565 2.849 ( 0.058 5.244 2.995) 6.039 2.921 ( -3.048 2.895 -0.307) 4.215 3.117 ( 1.597 1.847 1.416) 2.823 3.151 ( 1.368 0.153 -0.413) 1.437 3.194 ( 2.082 4.345 -0.166) 4.821 3.267 ( 0.958 4.033 -0.156) 4.148 3.421 ( -0.067 -3.302 -0.061) 3.303 3.449 ( -0.195 -3.893 0.137) 3.900 3.539 ( 2.318 0.453 0.138) 2.366 3.605 ( 4.330 -2.290 0.179) 4.901 3.633 ( 0.059 -2.685 -1.090) 2.899 3.668 ( -2.718 -2.534 -1.986) 4.214 3.719 ( -0.400 1.029 4.522) 4.655 3.753 ( -1.316 -2.705 0.578) 3.063 3.771 ( -2.498 -2.306 0.032) 3.400 3.865 ( 0.695 -0.013 -0.395) 0.800 3.891 ( -0.630 -2.796 2.756) 3.977 3.924 ( -4.711 -2.999 -3.426) 6.552 4.209 ( -0.006 2.059 0.277) 2.078 4.263 ( -0.242 -1.669 -0.821) 1.875 4.311 ( 0.833 -2.934 2.479) 3.930 4.527 ( 4.940 -10.254 -2.720) 11.703 7.644 ( 0.550 0.583 -0.184) 0.823 7.650 ( 0.298 0.265 -0.341) 0.525 7.678 ( -0.724 -0.284 -0.021) 0.778 7.688 ( -0.380 -0.475 0.205) 0.642 7.927 ( -0.177 0.601 -0.193) 0.655 7.937 ( -0.293 0.289 0.267) 0.491 7.971 ( 0.187 0.548 0.234) 0.624 7.985 ( -0.026 -0.094 0.514) 0.523 13.025 ( 0.057 0.497 -0.261) 0.564 13.040 ( 0.215 0.395 0.160) 0.478 13.050 ( -0.339 -0.468 -0.271) 0.638 13.063 ( 0.019 -0.509 0.566) 0.761 14.124 ( -0.131 0.310 0.182) 0.382 14.133 ( -0.032 -0.040 0.020) 0.055 14.138 ( -0.009 0.079 -0.085) 0.116 14.139 ( -0.024 -0.030 -0.114) 0.121 23.730 ( 2.629 4.182 0.372) 4.954 23.784 ( 2.727 2.626 0.035) 3.786 23.883 ( 1.225 1.556 2.776) 3.410 23.899 ( 1.553 0.900 -1.402) 2.278 23.958 ( 2.604 -2.268 -1.242) 3.670 24.029 ( 1.596 -3.162 -2.189) 4.164 24.228 ( -6.800 -3.726 2.943) 8.293 24.262 ( -4.685 -5.246 -1.128) 7.123 ======================= Grid point 65 (36/55) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.214 -3.251 5.426) 6.329 1.099 ( 0.214 3.251 5.426) 6.329 1.158 ( -2.300 -2.730 1.098) 3.735 1.158 ( -2.300 2.730 1.098) 3.735 1.231 ( -0.687 -2.436 0.942) 2.701 1.231 ( -0.687 2.436 0.942) 2.701 1.453 ( 2.069 -3.627 0.056) 4.176 1.453 ( 2.069 3.627 0.056) 4.176 1.502 ( -2.252 -2.755 -1.495) 3.859 1.502 ( -2.252 2.755 -1.495) 3.859 1.622 ( -2.125 -1.766 0.804) 2.878 1.622 ( -2.125 1.766 0.804) 2.878 1.670 ( 1.723 -3.632 2.168) 4.567 1.670 ( 1.723 3.632 2.168) 4.567 1.750 ( 1.617 -1.105 -2.287) 3.011 1.750 ( 1.617 1.105 -2.287) 3.011 1.839 ( 0.580 -1.017 0.881) 1.465 1.839 ( 0.580 1.017 0.881) 1.465 1.900 ( -1.653 -1.524 -0.350) 2.276 1.900 ( -1.653 1.524 -0.350) 2.276 2.029 ( -1.199 -3.548 2.337) 4.415 2.029 ( -1.199 3.548 2.337) 4.415 2.088 ( 0.845 -0.685 -1.546) 1.890 2.088 ( 0.845 0.685 -1.546) 1.890 2.183 ( 3.091 -2.351 -2.037) 4.385 2.183 ( 3.091 2.351 -2.037) 4.385 2.318 ( -1.481 -1.929 1.858) 3.061 2.318 ( -1.481 1.929 1.858) 3.061 2.359 ( -1.034 -1.711 -2.412) 3.133 2.359 ( -1.034 1.711 -2.412) 3.133 2.424 ( 0.224 -1.982 -1.867) 2.732 2.424 ( 0.224 1.982 -1.867) 2.732 2.574 ( -0.306 -1.946 1.572) 2.520 2.574 ( -0.306 1.946 1.572) 2.520 2.695 ( 0.840 -1.232 0.120) 1.496 2.695 ( 0.840 1.232 0.120) 1.496 2.809 ( 2.509 -1.496 -0.532) 2.970 2.809 ( 2.509 1.496 -0.532) 2.970 2.925 ( -1.477 -3.147 -2.317) 4.178 2.925 ( -1.477 3.147 -2.317) 4.178 3.175 ( 0.028 -0.984 0.580) 1.142 3.175 ( 0.028 0.984 0.580) 1.142 3.315 ( -0.042 -1.419 0.807) 1.633 3.315 ( -0.042 1.419 0.807) 1.633 3.399 ( 0.180 -1.619 0.815) 1.822 3.399 ( 0.180 1.619 0.815) 1.822 3.576 ( -0.805 -0.831 -2.427) 2.689 3.576 ( -0.805 0.831 -2.427) 2.689 3.639 ( 1.284 -1.103 -0.314) 1.722 3.639 ( 1.284 1.103 -0.314) 1.722 3.668 ( -0.468 -0.583 0.462) 0.879 3.668 ( -0.468 0.583 0.462) 0.879 3.765 ( -2.198 -2.632 0.427) 3.456 3.765 ( -2.198 2.632 0.427) 3.456 3.896 ( 1.598 -1.322 0.681) 2.183 3.896 ( 1.598 1.322 0.681) 2.183 4.264 ( 0.069 -1.952 0.853) 2.131 4.264 ( 0.069 1.952 0.853) 2.131 4.348 ( -0.072 -8.713 -1.203) 8.796 4.348 ( -0.072 8.713 -1.203) 8.796 7.659 ( 0.247 -0.599 -0.031) 0.649 7.659 ( 0.247 0.599 -0.031) 0.649 7.671 ( -0.081 -0.486 -0.145) 0.513 7.671 ( -0.081 0.486 -0.145) 0.513 7.937 ( 0.055 -0.127 0.158) 0.210 7.937 ( 0.055 0.127 0.158) 0.210 7.979 ( -0.176 -0.145 0.278) 0.360 7.979 ( -0.176 0.145 0.278) 0.360 13.037 ( 0.026 -0.313 -0.134) 0.341 13.037 ( 0.026 0.313 -0.134) 0.341 13.052 ( -0.007 -0.366 0.288) 0.466 13.052 ( -0.007 0.366 0.288) 0.466 14.129 ( -0.019 -0.225 0.084) 0.241 14.129 ( -0.019 0.225 0.084) 0.241 14.138 ( 0.017 -0.050 -0.083) 0.098 14.138 ( 0.017 0.050 -0.083) 0.098 23.804 ( -1.123 -1.231 -1.051) 1.970 23.804 ( -1.123 1.231 -1.051) 1.970 23.951 ( 1.484 -0.964 0.488) 1.836 23.951 ( 1.484 0.964 0.488) 1.836 24.020 ( 2.899 -0.493 1.780) 3.437 24.020 ( 2.899 0.493 1.780) 3.437 24.092 ( -3.333 -2.543 -1.243) 4.373 24.092 ( -3.333 2.543 -1.243) 4.373 ======================= Grid point 67 (37/55) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.020 -6.903 2.909) 7.559 1.113 ( -1.020 6.903 2.909) 7.559 1.149 ( 0.717 -3.260 3.855) 5.099 1.149 ( 0.717 3.260 3.855) 5.099 1.222 ( -0.336 -1.984 0.074) 2.014 1.222 ( -0.336 1.984 0.074) 2.014 1.455 ( -1.479 -2.568 -0.520) 3.009 1.455 ( -1.479 2.568 -0.520) 3.009 1.499 ( 0.654 -3.541 1.550) 3.920 1.499 ( 0.654 3.541 1.550) 3.920 1.606 ( -0.954 -1.256 0.897) 1.815 1.606 ( -0.954 1.256 0.897) 1.815 1.688 ( 0.036 -2.198 -0.621) 2.285 1.688 ( 0.036 2.198 -0.621) 2.285 1.772 ( 1.873 -0.579 -0.759) 2.102 1.772 ( 1.873 0.579 -0.759) 2.102 1.826 ( -0.810 -0.183 -0.602) 1.025 1.826 ( -0.810 0.183 -0.602) 1.025 1.906 ( 1.921 -1.334 -0.242) 2.351 1.906 ( 1.921 1.334 -0.242) 2.351 1.977 ( -3.543 -1.081 2.586) 4.518 1.977 ( -3.543 1.081 2.586) 4.518 2.137 ( 2.293 -3.386 0.432) 4.112 2.137 ( 2.293 3.386 0.432) 4.112 2.161 ( -3.667 -2.049 -1.128) 4.349 2.161 ( -3.667 2.049 -1.128) 4.349 2.288 ( -0.875 -1.771 -2.203) 2.959 2.288 ( -0.875 1.771 -2.203) 2.959 2.376 ( 2.769 -2.005 -1.004) 3.563 2.376 ( 2.769 2.005 -1.004) 3.563 2.438 ( 1.502 -1.347 -0.990) 2.247 2.438 ( 1.502 1.347 -0.990) 2.247 2.557 ( -1.566 -1.641 1.067) 2.507 2.557 ( -1.566 1.641 1.067) 2.507 2.716 ( 1.391 -0.073 0.325) 1.431 2.716 ( 1.391 0.073 0.325) 1.431 2.833 ( -0.230 -6.484 -4.021) 7.633 2.833 ( -0.230 6.484 -4.021) 7.633 2.942 ( 4.070 -1.171 0.810) 4.312 2.942 ( 4.070 1.171 0.810) 4.312 3.151 ( -2.448 -0.893 0.455) 2.645 3.151 ( -2.448 0.893 0.455) 2.645 3.293 ( -2.201 -2.353 0.323) 3.238 3.293 ( -2.201 2.353 0.323) 3.238 3.408 ( 0.447 -0.235 0.628) 0.806 3.408 ( 0.447 0.235 0.628) 0.806 3.529 ( -2.273 -1.798 -1.295) 3.175 3.529 ( -2.273 1.798 -1.295) 3.175 3.622 ( -0.860 -1.275 -0.044) 1.538 3.622 ( -0.860 1.275 -0.044) 1.538 3.727 ( 1.135 -1.144 0.428) 1.667 3.727 ( 1.135 1.144 0.428) 1.667 3.759 ( 2.443 -1.251 1.925) 3.353 3.759 ( 2.443 1.251 1.925) 3.353 3.927 ( 1.760 -2.846 -1.066) 3.512 3.927 ( 1.760 2.846 -1.066) 3.512 4.251 ( -1.605 -2.718 -0.005) 3.157 4.251 ( -1.605 2.718 -0.005) 3.157 4.330 ( -1.049 -6.027 -0.437) 6.133 4.330 ( -1.049 6.027 -0.437) 6.133 7.658 ( -0.156 -0.972 -0.284) 1.025 7.658 ( -0.156 0.972 -0.284) 1.025 7.676 ( 0.406 -0.554 0.105) 0.695 7.676 ( 0.406 0.554 0.105) 0.695 7.939 ( 0.123 -0.387 0.053) 0.409 7.939 ( 0.123 0.387 0.053) 0.409 7.977 ( -0.162 -0.565 0.315) 0.667 7.977 ( -0.162 0.565 0.315) 0.667 13.036 ( -0.007 -0.525 -0.144) 0.545 13.036 ( -0.007 0.525 -0.144) 0.545 13.054 ( -0.015 -0.409 0.245) 0.477 13.054 ( -0.015 0.409 0.245) 0.477 14.130 ( 0.047 -0.193 0.085) 0.216 14.130 ( 0.047 0.193 0.085) 0.216 14.139 ( 0.042 -0.092 -0.083) 0.130 14.139 ( 0.042 0.092 -0.083) 0.130 23.769 ( -1.873 -0.979 0.193) 2.122 23.769 ( -1.873 0.979 0.193) 2.122 23.902 ( -5.153 -0.325 0.597) 5.198 23.902 ( -5.153 0.325 0.597) 5.198 24.026 ( 0.962 -2.856 -2.529) 3.935 24.026 ( 0.962 2.856 -2.529) 3.935 24.162 ( 5.453 -2.011 1.762) 6.073 24.162 ( 5.453 2.011 1.762) 6.073 ======================= Grid point 69 (38/55) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.391 -3.503 2.101) 4.103 1.124 ( 0.391 3.503 2.101) 4.103 1.199 ( 1.582 -2.005 2.123) 3.321 1.199 ( 1.582 2.005 2.123) 3.321 1.232 ( 1.661 -5.276 2.598) 6.111 1.232 ( 1.661 5.276 2.598) 6.111 1.419 ( -2.958 -0.447 1.172) 3.213 1.419 ( -2.958 0.447 1.172) 3.213 1.466 ( -3.371 -3.295 2.719) 5.442 1.466 ( -3.371 3.295 2.719) 5.442 1.607 ( 0.949 -2.610 -0.654) 2.853 1.607 ( 0.949 2.610 -0.654) 2.853 1.687 ( 0.984 -1.407 -1.786) 2.478 1.687 ( 0.984 1.407 -1.786) 2.478 1.805 ( -1.897 -3.690 0.617) 4.195 1.805 ( -1.897 3.690 0.617) 4.195 1.821 ( 1.548 -2.166 -0.054) 2.662 1.821 ( 1.548 2.166 -0.054) 2.662 1.894 ( -1.029 -1.264 -0.305) 1.658 1.894 ( -1.029 1.264 -0.305) 1.658 1.988 ( 1.957 -3.710 0.572) 4.233 1.988 ( 1.957 3.710 0.572) 4.233 2.079 ( -2.414 -1.377 0.527) 2.829 2.079 ( -2.414 1.377 0.527) 2.829 2.157 ( -1.246 -2.880 -0.003) 3.138 2.157 ( -1.246 2.880 -0.003) 3.138 2.290 ( 2.242 -2.495 -2.774) 4.352 2.290 ( 2.242 2.495 -2.774) 4.352 2.390 ( -0.573 -1.089 -1.184) 1.708 2.390 ( -0.573 1.089 -1.184) 1.708 2.463 ( 1.370 -1.062 -1.406) 2.232 2.463 ( 1.370 1.062 -1.406) 2.232 2.548 ( 0.010 -2.027 1.003) 2.262 2.548 ( 0.010 2.027 1.003) 2.262 2.728 ( -0.008 -1.000 -1.760) 2.024 2.728 ( -0.008 1.000 -1.760) 2.024 2.833 ( 1.847 -7.295 -0.620) 7.550 2.833 ( 1.847 7.295 -0.620) 7.550 2.997 ( 0.216 -0.940 -1.164) 1.512 2.997 ( 0.216 0.940 -1.164) 1.512 3.113 ( -0.856 -1.174 1.202) 1.885 3.113 ( -0.856 1.174 1.202) 1.885 3.258 ( -1.059 -1.177 -0.580) 1.686 3.258 ( -1.059 1.177 -0.580) 1.686 3.422 ( 0.919 -0.934 0.550) 1.421 3.422 ( 0.919 0.934 0.550) 1.421 3.495 ( -0.847 -0.909 -0.189) 1.256 3.495 ( -0.847 0.909 -0.189) 1.256 3.603 ( -0.862 -0.709 0.967) 1.477 3.603 ( -0.862 0.709 0.967) 1.477 3.742 ( -0.186 -1.747 1.915) 2.598 3.742 ( -0.186 1.747 1.915) 2.598 3.798 ( 0.213 -0.602 1.120) 1.289 3.798 ( 0.213 0.602 1.120) 1.289 3.957 ( 1.907 -4.287 -2.536) 5.333 3.957 ( 1.907 4.287 -2.536) 5.333 4.228 ( -0.066 -1.688 -0.204) 1.702 4.228 ( -0.066 1.688 -0.204) 1.702 4.306 ( -1.227 -3.392 -0.147) 3.610 4.306 ( -1.227 3.392 -0.147) 3.610 7.654 ( -0.073 -0.672 -0.422) 0.797 7.654 ( -0.073 0.672 -0.422) 0.797 7.682 ( 0.131 -0.531 0.242) 0.598 7.682 ( 0.131 0.531 0.242) 0.598 7.941 ( -0.002 -0.489 -0.090) 0.497 7.941 ( -0.002 0.489 -0.090) 0.497 7.977 ( -0.035 -0.507 0.357) 0.621 7.977 ( -0.035 0.507 0.357) 0.621 13.036 ( 0.086 -0.797 -0.142) 0.814 13.036 ( 0.086 0.797 -0.142) 0.814 13.053 ( -0.145 -0.651 0.165) 0.687 13.053 ( -0.145 0.651 0.165) 0.687 14.131 ( 0.017 -0.157 0.085) 0.179 14.131 ( 0.017 0.157 0.085) 0.179 14.139 ( 0.037 -0.083 -0.081) 0.121 14.139 ( 0.037 0.083 -0.081) 0.121 23.740 ( -1.187 -1.286 0.655) 1.869 23.740 ( -1.187 1.286 0.655) 1.869 23.835 ( -1.695 -1.931 1.377) 2.915 23.835 ( -1.695 1.931 1.377) 2.915 24.021 ( 0.208 -2.804 -4.437) 5.253 24.021 ( 0.208 2.804 -4.437) 5.253 24.252 ( 2.349 -2.191 2.497) 4.069 24.252 ( 2.349 2.191 2.497) 4.069 ======================= Grid point 71 (39/55) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.268 -3.169 2.334) 4.543 1.120 ( -2.268 3.169 2.334) 4.543 1.209 ( -0.157 -1.689 0.004) 1.696 1.209 ( -0.157 1.689 0.004) 1.696 1.258 ( -3.043 -2.338 5.289) 6.534 1.258 ( -3.043 2.338 5.289) 6.534 1.417 ( 1.210 -2.544 1.231) 3.074 1.417 ( 1.210 2.544 1.231) 3.074 1.455 ( 3.600 -2.937 0.878) 4.729 1.455 ( 3.600 2.937 0.878) 4.729 1.608 ( -1.445 -2.191 0.796) 2.742 1.608 ( -1.445 2.191 0.796) 2.742 1.709 ( -0.136 -1.884 -2.047) 2.785 1.709 ( -0.136 1.884 -2.047) 2.785 1.754 ( 0.980 -4.838 0.080) 4.937 1.754 ( 0.980 4.838 0.080) 4.937 1.846 ( -1.361 -2.019 0.014) 2.435 1.846 ( -1.361 2.019 0.014) 2.435 1.892 ( 1.034 -3.183 0.420) 3.373 1.892 ( 1.034 3.183 0.420) 3.373 1.972 ( -1.787 -2.194 0.223) 2.839 1.972 ( -1.787 2.194 0.223) 2.839 2.089 ( 0.078 -1.794 0.914) 2.015 2.089 ( 0.078 1.794 0.914) 2.015 2.146 ( 2.192 -0.362 -1.700) 2.797 2.146 ( 2.192 0.362 -1.700) 2.797 2.303 ( -0.648 -2.932 0.056) 3.003 2.303 ( -0.648 2.932 0.056) 3.003 2.383 ( 1.622 -1.356 -3.147) 3.791 2.383 ( 1.622 1.356 -3.147) 3.791 2.468 ( -0.053 -1.815 -1.403) 2.295 2.468 ( -0.053 1.815 -1.403) 2.295 2.556 ( 0.160 -2.451 0.895) 2.614 2.556 ( 0.160 2.451 0.895) 2.614 2.701 ( -1.904 -1.689 -1.372) 2.891 2.701 ( -1.904 1.689 -1.372) 2.891 2.873 ( 1.110 -5.086 0.313) 5.215 2.873 ( 1.110 5.086 0.313) 5.215 2.956 ( -1.759 -2.215 -1.635) 3.267 2.956 ( -1.759 2.215 -1.635) 3.267 3.124 ( 0.707 -1.001 0.913) 1.528 3.124 ( 0.707 1.001 0.913) 1.528 3.249 ( 0.820 -2.195 -0.624) 2.425 3.249 ( 0.820 2.195 -0.624) 2.425 3.434 ( -1.498 -1.721 0.345) 2.307 3.434 ( -1.498 1.721 0.345) 2.307 3.498 ( 2.523 -1.283 -0.491) 2.873 3.498 ( 2.523 1.283 -0.491) 2.873 3.618 ( 1.270 -2.915 1.365) 3.460 3.618 ( 1.270 2.915 1.365) 3.460 3.736 ( -0.773 -1.581 1.963) 2.637 3.736 ( -0.773 1.581 1.963) 2.637 3.794 ( -1.250 -1.047 1.242) 2.050 3.794 ( -1.250 1.047 1.242) 2.050 3.951 ( -1.430 -3.164 -2.691) 4.393 3.951 ( -1.430 3.164 -2.691) 4.393 4.243 ( 0.891 -1.081 -0.233) 1.420 4.243 ( 0.891 1.081 -0.233) 1.420 4.296 ( 0.949 -2.442 -0.128) 2.623 4.296 ( 0.949 2.442 -0.128) 2.623 7.652 ( 0.079 -0.387 -0.398) 0.561 7.652 ( 0.079 0.387 -0.398) 0.561 7.683 ( -0.223 -0.280 0.221) 0.421 7.683 ( -0.223 0.280 0.221) 0.421 7.939 ( -0.110 -0.166 -0.076) 0.214 7.939 ( -0.110 0.166 -0.076) 0.214 7.979 ( 0.015 -0.123 0.341) 0.363 7.979 ( 0.015 0.123 0.341) 0.363 13.037 ( 0.054 -0.596 -0.165) 0.620 13.037 ( 0.054 0.596 -0.165) 0.620 13.051 ( -0.095 -0.297 0.189) 0.364 13.051 ( -0.095 0.297 0.189) 0.364 14.131 ( -0.066 -0.186 0.084) 0.214 14.131 ( -0.066 0.186 0.084) 0.214 14.139 ( 0.012 -0.047 -0.079) 0.093 14.139 ( 0.012 0.047 -0.079) 0.093 23.743 ( 1.470 -0.961 0.649) 1.872 23.743 ( 1.470 0.961 0.649) 1.872 23.846 ( 1.544 -1.289 1.911) 2.775 23.846 ( 1.544 1.289 1.911) 2.775 23.992 ( -0.628 -2.820 -4.570) 5.407 23.992 ( -0.628 2.820 -4.570) 5.407 24.268 ( -1.987 -1.473 2.102) 3.246 24.268 ( -1.987 1.473 2.102) 3.246 ======================= Grid point 73 (40/55) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.629 -6.168 3.077) 7.083 1.085 ( -1.629 6.168 3.077) 7.083 1.194 ( -2.038 -1.043 2.100) 3.106 1.194 ( -2.038 1.043 2.100) 3.106 1.236 ( -0.923 -2.177 2.445) 3.401 1.236 ( -0.923 2.177 2.445) 3.401 1.426 ( 0.939 -4.259 -0.632) 4.407 1.426 ( 0.939 4.259 -0.632) 4.407 1.546 ( -0.840 -3.873 -0.525) 3.998 1.546 ( -0.840 3.873 -0.525) 3.998 1.595 ( 3.999 -3.549 1.226) 5.486 1.595 ( 3.999 3.549 1.226) 5.486 1.680 ( -2.532 -1.819 1.449) 3.438 1.680 ( -2.532 1.819 1.449) 3.438 1.762 ( -2.798 -1.606 -2.351) 3.992 1.762 ( -2.798 1.606 -2.351) 3.992 1.808 ( 1.714 -1.101 0.755) 2.172 1.808 ( 1.714 1.101 0.755) 2.172 1.936 ( -1.005 -2.467 0.580) 2.726 1.936 ( -1.005 2.467 0.580) 2.726 1.971 ( 3.339 -2.225 2.299) 4.625 1.971 ( 3.339 2.225 2.299) 4.625 2.095 ( 1.263 -0.837 -1.394) 2.059 2.095 ( 1.263 0.837 -1.394) 2.059 2.163 ( -0.038 -3.523 -3.577) 5.021 2.163 ( -0.038 3.523 -3.577) 5.021 2.306 ( 0.738 -1.999 2.784) 3.506 2.306 ( 0.738 1.999 2.784) 3.506 2.393 ( -0.166 -1.111 -2.300) 2.560 2.393 ( -0.166 1.111 -2.300) 2.560 2.448 ( -0.886 -3.203 -2.341) 4.065 2.448 ( -0.886 3.203 -2.341) 4.065 2.563 ( 0.090 -3.066 1.566) 3.444 2.563 ( 0.090 3.066 1.566) 3.444 2.670 ( 0.304 -1.556 -0.368) 1.628 2.670 ( 0.304 1.556 -0.368) 1.628 2.832 ( -2.969 -1.948 -2.464) 4.322 2.832 ( -2.969 1.948 -2.464) 4.322 2.952 ( -0.227 -2.056 0.332) 2.095 2.952 ( -0.227 2.056 0.332) 2.095 3.149 ( 1.685 -0.985 0.393) 1.991 3.149 ( 1.685 0.985 0.393) 1.991 3.286 ( 2.466 -3.160 0.175) 4.012 3.286 ( 2.466 3.160 0.175) 4.012 3.402 ( -1.161 -1.461 0.393) 1.907 3.402 ( -1.161 1.461 0.393) 1.907 3.555 ( 3.287 -2.243 -1.400) 4.219 3.555 ( 3.287 2.243 -1.400) 4.219 3.623 ( -0.852 -2.582 -0.216) 2.728 3.623 ( -0.852 2.582 -0.216) 2.728 3.734 ( -2.727 -1.044 0.453) 2.955 3.734 ( -2.727 1.044 0.453) 2.955 3.780 ( 0.045 -4.924 3.433) 6.003 3.780 ( 0.045 4.924 3.433) 6.003 3.893 ( -1.965 -1.291 -2.127) 3.171 3.893 ( -1.965 1.291 -2.127) 3.171 4.252 ( 0.591 -0.501 -0.030) 0.776 4.252 ( 0.591 0.501 -0.030) 0.776 4.332 ( 2.034 -7.990 -0.425) 8.255 4.332 ( 2.034 7.990 -0.425) 8.255 7.653 ( 0.289 -0.251 -0.237) 0.450 7.653 ( 0.289 0.251 -0.237) 0.450 7.677 ( -0.386 -0.437 0.064) 0.587 7.677 ( -0.386 0.437 0.064) 0.587 7.937 ( -0.094 -0.297 0.063) 0.317 7.937 ( -0.094 0.297 0.063) 0.317 7.980 ( -0.060 -0.368 0.301) 0.479 7.980 ( -0.060 0.368 0.301) 0.479 13.037 ( 0.040 -0.635 -0.171) 0.658 13.037 ( 0.040 0.635 -0.171) 0.658 13.051 ( -0.042 -0.628 0.273) 0.686 13.051 ( -0.042 0.628 0.273) 0.686 14.130 ( -0.089 -0.227 0.083) 0.258 14.130 ( -0.089 0.227 0.083) 0.258 14.139 ( -0.002 -0.024 -0.080) 0.084 14.139 ( -0.002 0.024 -0.080) 0.084 23.794 ( 2.562 -1.858 0.342) 3.183 23.794 ( 2.562 1.858 0.342) 3.183 23.897 ( 2.729 -0.196 0.736) 2.833 23.897 ( 2.729 0.196 0.736) 2.833 23.969 ( 0.824 -2.609 -2.050) 3.419 23.969 ( 0.824 2.609 -2.050) 3.419 24.201 ( -5.559 -0.874 0.994) 5.714 24.201 ( -5.559 0.874 0.994) 5.714 ======================= Grid point 90 (41/55) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -3.642 0.000 -12.972) 13.473 0.662 ( 3.642 0.000 12.972) 13.473 0.710 ( -5.816 0.000 -11.798) 13.153 0.710 ( 5.816 0.000 11.798) 13.153 1.199 ( -4.600 0.000 -11.741) 12.610 1.199 ( 4.600 0.000 11.741) 12.610 1.248 ( -2.221 0.000 -4.784) 5.274 1.248 ( 2.221 0.000 4.784) 5.274 1.392 ( -2.660 0.000 0.341) 2.682 1.392 ( 2.660 0.000 -0.341) 2.682 1.443 ( -0.018 0.000 -1.565) 1.565 1.443 ( 0.018 0.000 1.565) 1.565 1.488 ( 0.364 0.000 -1.676) 1.715 1.488 ( -0.364 0.000 1.676) 1.715 1.553 ( -0.983 0.000 -9.105) 9.158 1.553 ( 0.983 0.000 9.105) 9.158 1.608 ( 3.889 0.000 -2.772) 4.775 1.608 ( -3.889 0.000 2.772) 4.775 1.763 ( 1.734 0.000 -3.180) 3.622 1.763 ( -1.734 0.000 3.180) 3.622 1.928 ( 2.105 0.000 -8.457) 8.715 1.928 ( -2.105 0.000 8.457) 8.715 2.063 ( -0.826 0.000 -2.782) 2.902 2.063 ( 0.826 0.000 2.782) 2.902 2.099 ( -1.385 0.000 -4.736) 4.934 2.099 ( 1.385 0.000 4.736) 4.934 2.215 ( -0.815 0.000 -1.246) 1.489 2.215 ( 0.815 0.000 1.246) 1.489 2.276 ( 1.493 0.000 -2.962) 3.317 2.276 ( -1.493 0.000 2.962) 3.317 2.352 ( 2.708 0.000 -1.004) 2.888 2.352 ( -2.708 0.000 1.004) 2.888 2.378 ( 1.549 0.000 -3.749) 4.056 2.378 ( -1.549 0.000 3.749) 4.056 2.686 ( -8.055 0.000 -1.405) 8.177 2.686 ( 8.055 0.000 1.405) 8.177 2.779 ( -3.321 0.000 -2.963) 4.451 2.779 ( 3.321 0.000 2.963) 4.451 2.858 ( -3.007 0.000 0.430) 3.038 2.858 ( 3.007 0.000 -0.430) 3.038 3.065 ( 2.381 0.000 -1.408) 2.767 3.065 ( -2.381 0.000 1.408) 2.767 3.239 ( -0.817 0.000 -1.942) 2.107 3.239 ( 0.817 0.000 1.942) 2.107 3.601 ( 0.682 0.000 -1.159) 1.345 3.601 ( -0.682 0.000 1.159) 1.345 3.638 ( 0.738 0.000 -4.406) 4.468 3.638 ( -0.738 0.000 4.406) 4.468 3.730 ( 0.581 0.000 -0.638) 0.863 3.730 ( -0.581 0.000 0.638) 0.863 3.829 ( -1.363 0.000 -0.552) 1.471 3.829 ( 1.363 0.000 0.552) 1.471 3.884 ( 2.080 0.000 -1.624) 2.639 3.884 ( -2.080 0.000 1.624) 2.639 4.151 ( -2.954 0.000 0.125) 2.957 4.151 ( 2.954 0.000 -0.125) 2.957 4.311 ( -0.367 0.000 -1.392) 1.439 4.311 ( 0.367 0.000 1.392) 1.439 4.596 ( 7.611 0.000 -8.782) 11.621 4.596 ( -7.611 0.000 8.782) 11.621 7.645 ( 0.305 0.000 -0.204) 0.367 7.645 ( -0.305 0.000 0.204) 0.367 7.686 ( -0.527 0.000 0.005) 0.527 7.686 ( 0.527 0.000 -0.005) 0.527 7.921 ( -0.437 0.000 -0.142) 0.459 7.921 ( 0.437 0.000 0.142) 0.459 7.927 ( 0.334 0.000 -0.172) 0.376 7.927 ( -0.334 0.000 0.172) 0.376 13.026 ( -0.446 0.000 -0.563) 0.718 13.026 ( 0.446 0.000 0.563) 0.718 13.055 ( -0.471 0.000 -0.165) 0.499 13.055 ( 0.471 0.000 0.165) 0.499 14.121 ( 0.057 0.000 -0.546) 0.549 14.121 ( -0.057 0.000 0.546) 0.549 14.134 ( 0.216 0.000 -0.363) 0.422 14.134 ( -0.216 0.000 0.363) 0.422 23.568 ( 5.627 0.000 -3.377) 6.563 23.568 ( -5.627 0.000 3.377) 6.563 23.762 ( 2.006 0.000 -0.809) 2.163 23.762 ( -2.006 0.000 0.809) 2.163 24.193 ( -2.768 0.000 -0.576) 2.827 24.193 ( 2.768 0.000 0.576) 2.827 24.522 ( -14.304 0.000 2.351) 14.496 24.522 ( 14.304 0.000 -2.351) 14.496 ======================= Grid point 92 (42/55) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -3.241 0.000 -13.021) 13.418 0.534 ( 0.522 0.000 -13.106) 13.117 0.837 ( 0.215 0.000 9.631) 9.634 0.845 ( 4.476 0.000 10.976) 11.853 1.080 ( -5.405 0.000 -4.248) 6.875 1.131 ( -2.176 0.000 -7.338) 7.654 1.214 ( -7.273 0.000 -0.363) 7.282 1.288 ( -1.747 0.000 1.893) 2.576 1.321 ( 0.640 0.000 1.078) 1.253 1.331 ( -3.827 0.000 -3.311) 5.060 1.466 ( -1.152 0.000 2.673) 2.910 1.474 ( 0.657 0.000 -2.957) 3.029 1.498 ( -2.043 0.000 4.454) 4.900 1.523 ( 2.383 0.000 3.065) 3.883 1.562 ( 4.518 0.000 -7.638) 8.874 1.664 ( 5.993 0.000 1.069) 6.088 1.690 ( 9.987 0.000 14.160) 17.328 1.702 ( 7.133 0.000 -3.412) 7.907 1.786 ( 1.744 0.000 4.046) 4.406 1.807 ( 1.890 0.000 2.194) 2.896 1.906 ( -2.670 0.000 -0.596) 2.736 1.943 ( 4.533 0.000 -9.504) 10.530 2.009 ( -2.336 0.000 -4.736) 5.281 2.036 ( -0.827 0.000 2.780) 2.900 2.091 ( -0.051 0.000 -2.639) 2.640 2.111 ( -2.580 0.000 2.310) 3.463 2.189 ( -1.021 0.000 -1.375) 1.713 2.216 ( -2.122 0.000 1.840) 2.809 2.233 ( -4.335 0.000 3.255) 5.421 2.262 ( -1.406 0.000 -1.611) 2.138 2.276 ( -3.974 0.000 0.939) 4.084 2.329 ( -1.281 0.000 -3.847) 4.055 2.406 ( 1.362 0.000 5.398) 5.567 2.436 ( 3.780 0.000 -1.242) 3.979 2.490 ( -9.509 0.000 0.844) 9.546 2.715 ( -1.167 0.000 -0.665) 1.344 2.776 ( -0.500 0.000 -4.445) 4.473 2.800 ( -2.011 0.000 3.105) 3.699 2.908 ( 5.202 0.000 3.074) 6.043 2.918 ( 2.048 0.000 1.119) 2.334 3.045 ( -0.511 0.000 0.854) 0.995 3.109 ( 1.865 0.000 -0.472) 1.924 3.211 ( -0.799 0.000 -1.114) 1.371 3.247 ( -0.275 0.000 0.844) 0.888 3.576 ( -2.268 0.000 -0.133) 2.272 3.596 ( -1.970 0.000 -0.196) 1.980 3.654 ( 2.400 0.000 -2.815) 3.699 3.663 ( 0.312 0.000 3.450) 3.464 3.730 ( 0.127 0.000 -2.102) 2.106 3.744 ( 2.387 0.000 0.771) 2.508 3.827 ( 1.330 0.000 0.276) 1.358 3.832 ( -0.844 0.000 0.839) 1.190 3.874 ( 0.510 0.000 1.869) 1.937 3.968 ( 6.711 0.000 -4.496) 8.078 4.079 ( -3.413 0.000 1.418) 3.696 4.186 ( 1.199 0.000 -1.144) 1.657 4.302 ( 0.419 0.000 -1.471) 1.530 4.325 ( 0.395 0.000 0.961) 1.039 4.461 ( -7.616 0.000 5.349) 9.307 4.600 ( -2.548 0.000 -8.427) 8.804 7.651 ( 0.399 0.000 0.297) 0.498 7.661 ( 1.092 0.000 -0.544) 1.220 7.677 ( -0.301 0.000 0.197) 0.360 7.698 ( 0.546 0.000 0.169) 0.572 7.905 ( -0.686 0.000 -0.434) 0.812 7.920 ( -0.433 0.000 0.143) 0.455 7.923 ( -0.163 0.000 0.189) 0.249 7.930 ( 0.069 0.000 -0.200) 0.212 13.018 ( -0.103 0.000 -0.338) 0.354 13.039 ( 0.430 0.000 0.497) 0.657 13.044 ( -0.436 0.000 -0.077) 0.443 13.064 ( 0.314 0.000 -0.002) 0.314 14.120 ( 0.204 0.000 -0.513) 0.552 14.123 ( 0.017 0.000 0.497) 0.497 14.133 ( -0.116 0.000 0.409) 0.425 14.137 ( 0.196 0.000 -0.414) 0.458 23.475 ( -3.369 0.000 2.322) 4.092 23.592 ( -0.410 0.000 -3.206) 3.232 23.783 ( 2.304 0.000 0.587) 2.377 23.863 ( 7.838 0.000 -6.523) 10.197 24.103 ( -11.028 0.000 3.989) 11.727 24.110 ( -4.291 0.000 0.312) 4.302 24.449 ( 3.843 0.000 6.550) 7.594 24.751 ( 5.641 0.000 2.270) 6.080 ======================= Grid point 93 (43/55) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 7.185 0.000 0.728) 7.222 0.558 ( 4.478 0.000 -3.045) 5.416 0.844 ( -1.298 0.000 -2.123) 2.489 0.869 ( -5.817 0.000 -0.733) 5.863 0.983 ( 2.142 0.000 1.199) 2.455 1.068 ( -6.611 0.000 1.973) 6.899 1.189 ( 5.179 0.000 4.724) 7.010 1.237 ( -2.813 0.000 1.272) 3.087 1.248 ( -0.951 0.000 -7.677) 7.736 1.309 ( -3.533 0.000 -1.381) 3.793 1.443 ( -1.608 0.000 5.685) 5.908 1.458 ( 0.267 0.000 -5.220) 5.227 1.511 ( 1.344 0.000 2.494) 2.833 1.559 ( -0.998 0.000 -3.402) 3.545 1.616 ( 4.584 0.000 2.680) 5.310 1.715 ( -2.002 0.000 -3.490) 4.024 1.792 ( -0.326 0.000 1.488) 1.523 1.795 ( 0.926 0.000 0.210) 0.949 1.860 ( 4.261 0.000 -1.007) 4.378 1.869 ( 1.867 0.000 0.775) 2.022 1.974 ( 3.238 0.000 -1.650) 3.634 1.976 ( 0.196 0.000 8.913) 8.915 1.985 ( 0.637 0.000 -7.492) 7.519 2.057 ( -1.415 0.000 1.986) 2.439 2.069 ( 3.610 0.000 2.028) 4.141 2.079 ( 2.298 0.000 -4.387) 4.953 2.138 ( -0.556 0.000 -1.044) 1.183 2.172 ( -2.473 0.000 3.402) 4.206 2.188 ( -1.680 0.000 3.102) 3.528 2.215 ( -1.579 0.000 -4.438) 4.710 2.242 ( -0.080 0.000 7.858) 7.858 2.317 ( 1.094 0.000 -4.737) 4.862 2.383 ( -3.056 0.000 3.966) 5.007 2.442 ( -4.122 0.000 -3.589) 5.466 2.482 ( 2.591 0.000 8.199) 8.598 2.595 ( -5.957 0.000 -10.040) 11.674 2.759 ( 1.733 0.000 -2.971) 3.439 2.780 ( -1.845 0.000 2.987) 3.511 2.953 ( 1.408 0.000 1.329) 1.936 2.981 ( -0.023 0.000 0.020) 0.031 3.071 ( 3.193 0.000 2.791) 4.240 3.124 ( -0.257 0.000 -0.743) 0.786 3.205 ( 0.614 0.000 -0.163) 0.636 3.236 ( -1.953 0.000 0.578) 2.036 3.525 ( -2.179 0.000 -0.225) 2.191 3.526 ( -2.412 0.000 -2.179) 3.251 3.688 ( 0.586 0.000 3.206) 3.260 3.695 ( 2.881 0.000 -1.478) 3.238 3.716 ( -0.132 0.000 -2.981) 2.984 3.762 ( -3.677 0.000 -1.222) 3.875 3.786 ( 1.054 0.000 1.306) 1.678 3.814 ( -1.191 0.000 -0.152) 1.201 4.040 ( 8.589 0.000 7.290) 11.266 4.050 ( 4.270 0.000 -6.985) 8.187 4.066 ( -0.679 0.000 5.637) 5.677 4.178 ( -1.678 0.000 -3.540) 3.917 4.319 ( 2.217 0.000 -1.878) 2.906 4.341 ( 0.572 0.000 1.634) 1.731 4.382 ( -2.696 0.000 2.854) 3.926 4.458 ( -6.812 0.000 -4.972) 8.433 7.658 ( 0.239 0.000 0.166) 0.291 7.663 ( -0.253 0.000 -0.289) 0.385 7.686 ( 0.787 0.000 0.182) 0.807 7.699 ( -0.369 0.000 -0.194) 0.417 7.903 ( 0.362 0.000 0.381) 0.526 7.913 ( -0.321 0.000 -0.407) 0.519 7.922 ( -0.045 0.000 0.576) 0.578 7.927 ( -0.192 0.000 -0.503) 0.538 13.019 ( 0.355 0.000 -0.065) 0.361 13.030 ( -0.646 0.000 -0.160) 0.666 13.054 ( 0.512 0.000 0.621) 0.805 13.064 ( -0.195 0.000 -0.359) 0.409 14.123 ( 0.245 0.000 -0.447) 0.510 14.124 ( -0.146 0.000 0.411) 0.436 14.135 ( 0.020 0.000 0.518) 0.518 14.137 ( 0.070 0.000 -0.491) 0.496 23.479 ( 1.761 0.000 3.471) 3.892 23.546 ( -2.365 0.000 -3.959) 4.611 23.832 ( 2.335 0.000 0.996) 2.538 23.895 ( -2.773 0.000 -3.230) 4.257 24.004 ( 1.131 0.000 0.275) 1.163 24.045 ( -3.083 0.000 1.847) 3.594 24.599 ( 7.072 0.000 5.836) 9.169 24.745 ( -4.699 0.000 -2.682) 5.410 ======================= Grid point 96 (44/55) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -4.812 3.846 -12.534) 13.966 0.657 ( 4.812 3.846 12.534) 13.966 0.883 ( -0.092 11.187 -11.391) 15.966 0.883 ( 0.092 11.187 11.391) 15.966 1.205 ( -4.826 -2.781 -2.269) 6.014 1.205 ( 4.826 -2.781 2.269) 6.014 1.331 ( -2.274 10.213 -12.140) 16.026 1.331 ( 2.274 10.213 12.140) 16.026 1.404 ( 1.544 2.615 -2.477) 3.919 1.404 ( -1.544 2.615 2.477) 3.919 1.476 ( -2.133 2.765 -2.804) 4.478 1.476 ( 2.133 2.765 2.804) 4.478 1.572 ( -4.591 5.369 -3.105) 7.717 1.572 ( 4.591 5.369 3.105) 7.717 1.582 ( 0.276 3.529 -6.614) 7.502 1.582 ( -0.276 3.529 6.614) 7.502 1.677 ( 2.019 6.071 -3.313) 7.205 1.677 ( -2.019 6.071 3.313) 7.205 1.795 ( 1.859 3.820 -3.423) 5.456 1.795 ( -1.859 3.820 3.423) 5.456 1.945 ( 1.295 1.742 -7.833) 8.128 1.945 ( -1.295 1.742 7.833) 8.128 2.017 ( -2.640 -2.799 -3.428) 5.153 2.017 ( 2.640 -2.799 3.428) 5.153 2.102 ( -0.527 -0.340 -4.773) 4.814 2.102 ( 0.527 -0.340 4.773) 4.814 2.207 ( -0.230 -0.854 -1.254) 1.535 2.207 ( 0.230 -0.854 1.254) 1.535 2.301 ( -1.684 2.174 -1.654) 3.209 2.301 ( 1.684 2.174 1.654) 3.209 2.338 ( 0.740 -0.073 -3.379) 3.460 2.338 ( -0.740 -0.073 3.379) 3.460 2.404 ( 1.973 1.597 -4.269) 4.966 2.404 ( -1.973 1.597 4.269) 4.966 2.705 ( -8.084 2.238 -1.219) 8.476 2.705 ( 8.084 2.238 1.219) 8.476 2.760 ( -4.518 -1.884 -2.357) 5.432 2.760 ( 4.518 -1.884 2.357) 5.432 2.891 ( 0.764 1.245 -3.208) 3.525 2.891 ( -0.764 1.245 3.208) 3.525 3.059 ( -0.366 0.363 -2.152) 2.213 3.059 ( 0.366 0.363 2.152) 2.213 3.217 ( -1.502 -1.704 -1.115) 2.530 3.217 ( 1.502 -1.704 1.115) 2.530 3.577 ( 1.092 -2.818 -2.127) 3.695 3.577 ( -1.092 -2.818 2.127) 3.695 3.630 ( -0.130 -0.162 -2.471) 2.480 3.630 ( 0.130 -0.162 2.471) 2.480 3.723 ( -0.628 -0.948 -0.985) 1.505 3.723 ( 0.628 -0.948 0.985) 1.505 3.815 ( -0.986 -1.229 -0.545) 1.667 3.815 ( 0.986 -1.229 0.545) 1.667 3.869 ( 2.020 -1.719 -0.926) 2.810 3.869 ( -2.020 -1.719 0.926) 2.810 4.067 ( -3.643 -7.052 -2.301) 8.264 4.067 ( 3.643 -7.052 2.301) 8.264 4.264 ( -0.431 -2.446 -1.640) 2.976 4.264 ( 0.431 -2.446 1.640) 2.976 4.632 ( 3.803 0.985 -10.132) 10.867 4.632 ( -3.803 0.985 10.132) 10.867 7.644 ( -0.667 -0.071 -0.052) 0.673 7.644 ( 0.667 -0.071 0.052) 0.673 7.686 ( -0.717 -0.011 0.025) 0.718 7.686 ( 0.717 -0.011 -0.025) 0.718 7.904 ( -0.342 -0.196 -0.167) 0.428 7.904 ( 0.342 -0.196 0.167) 0.428 7.963 ( 0.041 1.779 -0.580) 1.871 7.963 ( -0.041 1.779 0.580) 1.871 13.022 ( -0.495 -0.189 -0.426) 0.680 13.022 ( 0.495 -0.189 0.426) 0.680 13.064 ( -0.692 0.603 -0.156) 0.931 13.064 ( 0.692 0.603 0.156) 0.931 14.122 ( 0.053 0.131 -0.513) 0.532 14.122 ( -0.053 0.131 0.513) 0.532 14.135 ( 0.196 0.064 -0.309) 0.371 14.135 ( -0.196 0.064 0.309) 0.371 23.623 ( -1.788 4.687 -0.546) 5.046 23.623 ( 1.788 4.687 0.546) 5.046 23.786 ( 3.618 2.317 -2.752) 5.102 23.786 ( -3.618 2.317 2.752) 5.102 24.167 ( -1.965 -2.423 -0.614) 3.179 24.167 ( 1.965 -2.423 0.614) 3.179 24.439 ( -0.244 -7.347 -2.654) 7.816 24.439 ( 0.244 -7.347 2.654) 7.816 ======================= Grid point 98 (45/55) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.412 8.280 -5.607) 10.008 0.818 ( -2.343 11.162 -0.921) 11.442 0.825 ( 5.849 9.391 -1.783) 11.206 0.937 ( 1.606 6.460 9.650) 11.723 1.065 ( -6.155 0.582 -0.968) 6.258 1.186 ( -4.354 6.202 0.169) 7.580 1.267 ( 1.337 3.673 -8.114) 9.006 1.334 ( -4.326 4.294 -0.397) 6.108 1.388 ( -0.160 1.237 0.449) 1.326 1.419 ( 0.026 2.864 -0.979) 3.027 1.451 ( -0.750 4.031 -3.736) 5.547 1.481 ( -2.263 6.043 3.463) 7.323 1.514 ( 0.644 1.885 1.531) 2.513 1.591 ( 2.136 3.252 -6.944) 7.960 1.640 ( -0.198 5.927 2.051) 6.275 1.689 ( 4.343 2.756 4.816) 7.046 1.730 ( 3.106 2.133 -1.830) 4.189 1.784 ( 10.484 7.841 10.777) 16.958 1.804 ( 0.687 3.008 2.158) 3.765 1.825 ( 1.533 1.812 2.645) 3.554 1.920 ( -2.039 0.352 -3.238) 3.843 1.947 ( 3.794 0.506 -7.931) 8.807 1.989 ( 0.424 1.429 1.651) 2.224 2.052 ( 0.584 -0.658 -3.074) 3.197 2.083 ( 0.404 -1.016 -0.401) 1.165 2.122 ( -1.663 2.117 1.656) 3.161 2.185 ( -1.378 0.116 0.316) 1.419 2.195 ( -2.792 -1.520 2.954) 4.339 2.229 ( -2.193 0.349 -2.745) 3.530 2.267 ( -4.634 0.711 2.649) 5.385 2.321 ( -1.731 1.196 -0.768) 2.240 2.324 ( -1.992 2.406 0.322) 3.140 2.410 ( 0.896 0.070 3.834) 3.937 2.453 ( 3.849 1.439 -2.530) 4.826 2.514 ( -9.164 2.811 0.226) 9.588 2.701 ( -0.174 -1.108 -0.707) 1.325 2.786 ( -0.514 1.476 -4.287) 4.563 2.818 ( -2.902 0.449 3.212) 4.352 2.889 ( 5.106 -1.713 2.754) 6.049 2.957 ( 1.785 1.508 -0.468) 2.383 3.039 ( -0.088 0.973 -1.191) 1.541 3.084 ( 0.659 -2.071 0.471) 2.224 3.173 ( -1.232 -1.968 -0.121) 2.325 3.254 ( 1.070 -0.586 0.615) 1.367 3.548 ( -2.194 -2.301 1.687) 3.599 3.590 ( -2.308 -1.925 -1.590) 3.400 3.627 ( 1.978 -2.052 0.752) 2.948 3.640 ( 0.514 -1.403 1.062) 1.833 3.697 ( -0.762 -2.467 -1.859) 3.182 3.749 ( 1.415 -0.211 -0.155) 1.439 3.820 ( -0.547 -1.239 0.505) 1.445 3.824 ( 1.652 -0.553 0.904) 1.963 3.857 ( -0.197 -1.660 0.961) 1.928 3.950 ( 4.917 -2.387 -2.088) 5.851 3.995 ( 0.014 -5.775 -1.940) 6.093 4.122 ( 1.362 -5.961 -0.223) 6.119 4.262 ( 1.150 -2.152 -0.960) 2.622 4.290 ( 1.430 -1.839 1.736) 2.905 4.523 ( -7.519 2.095 2.655) 8.244 4.615 ( -3.545 0.432 -4.084) 5.425 7.638 ( 0.138 -0.837 0.025) 0.848 7.661 ( 0.462 -0.129 -0.347) 0.592 7.676 ( 0.028 -0.019 0.175) 0.179 7.701 ( 0.740 0.232 -0.384) 0.865 7.901 ( 0.105 0.263 0.106) 0.302 7.913 ( 0.453 -0.030 0.286) 0.536 7.950 ( -0.842 1.127 -0.229) 1.425 7.958 ( -0.699 2.261 -0.047) 2.367 13.014 ( -0.090 -0.217 -0.141) 0.274 13.036 ( 0.489 -0.129 0.367) 0.625 13.049 ( -0.524 0.350 -0.180) 0.655 13.073 ( 0.216 0.653 -0.230) 0.726 14.122 ( 0.172 0.121 -0.421) 0.471 14.125 ( 0.032 0.125 0.408) 0.428 14.134 ( -0.101 0.072 0.356) 0.377 14.137 ( 0.175 0.054 -0.349) 0.394 23.528 ( -3.699 4.871 1.107) 6.216 23.637 ( -1.443 4.043 -2.072) 4.766 23.794 ( 1.926 1.080 1.861) 2.887 23.882 ( 6.817 1.649 -6.260) 9.401 24.075 ( -9.926 -2.659 3.447) 10.838 24.092 ( -4.070 -1.735 0.430) 4.445 24.406 ( 4.163 -4.080 5.801) 8.223 24.639 ( 6.646 -9.851 -0.435) 11.891 ======================= Grid point 99 (46/55) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 4.571 7.607 -2.275) 9.162 0.708 ( -6.934 8.231 -1.232) 10.833 0.950 ( 7.142 14.162 -0.303) 15.864 0.979 ( 1.337 2.887 2.426) 4.001 1.082 ( 1.223 12.437 3.656) 13.021 1.099 ( -4.221 3.878 -1.664) 5.969 1.222 ( -2.621 2.728 3.133) 4.912 1.272 ( -1.028 2.693 -3.811) 4.778 1.382 ( 1.269 7.298 -3.056) 8.013 1.410 ( -0.378 4.096 0.635) 4.162 1.440 ( 0.710 3.277 -2.179) 3.999 1.462 ( -2.443 6.250 2.940) 7.326 1.538 ( 0.857 2.003 2.701) 3.470 1.576 ( 0.084 1.490 -6.945) 7.103 1.656 ( 1.335 3.738 4.850) 6.267 1.738 ( -3.011 2.961 -3.157) 5.273 1.755 ( 0.403 -2.711 -0.807) 2.858 1.776 ( -0.813 -1.488 1.455) 2.234 1.868 ( 3.120 0.319 0.638) 3.201 1.914 ( 1.666 3.047 -0.602) 3.525 1.973 ( 0.754 0.183 -0.993) 1.260 1.998 ( 0.448 1.179 -0.231) 1.282 2.019 ( 2.826 -0.353 -2.016) 3.489 2.038 ( -0.767 3.265 -1.363) 3.620 2.068 ( -0.873 0.634 1.327) 1.710 2.116 ( -1.490 -2.139 0.175) 2.613 2.130 ( 3.384 3.201 2.310) 5.199 2.178 ( 0.624 1.440 0.497) 1.646 2.194 ( -1.942 1.083 0.129) 2.228 2.252 ( -3.211 2.020 0.356) 3.811 2.287 ( 3.145 4.482 4.651) 7.185 2.311 ( 0.866 0.302 0.147) 0.929 2.395 ( -2.950 2.288 2.574) 4.534 2.457 ( -0.875 0.313 1.193) 1.513 2.497 ( 1.942 1.979 2.660) 3.842 2.620 ( -7.162 3.272 -9.625) 12.436 2.749 ( 2.266 -1.156 -2.862) 3.829 2.784 ( -2.467 -0.298 2.813) 3.753 2.960 ( 0.608 -0.533 1.930) 2.092 2.971 ( 0.433 -0.810 -1.068) 1.409 3.056 ( 1.886 -0.556 0.858) 2.145 3.085 ( -0.513 -2.870 -0.357) 2.937 3.190 ( 2.524 -0.551 1.191) 2.845 3.251 ( -1.962 0.177 -0.386) 2.008 3.509 ( -1.268 -1.409 -0.824) 2.067 3.524 ( -2.892 -0.658 -0.098) 2.967 3.651 ( 0.392 -3.458 2.574) 4.328 3.671 ( 0.213 -3.233 -2.023) 3.820 3.683 ( 2.115 -1.831 -0.695) 2.882 3.749 ( -4.065 -1.477 -1.507) 4.580 3.781 ( 1.692 -0.312 0.066) 1.721 3.809 ( -1.093 -0.519 0.143) 1.219 3.987 ( 6.752 -4.725 4.164) 9.234 4.009 ( 1.659 -3.604 2.757) 4.832 4.028 ( 2.053 -2.631 -2.522) 4.183 4.108 ( -2.330 -5.683 -2.975) 6.825 4.303 ( 3.472 -1.273 -0.722) 3.768 4.344 ( 2.675 0.181 1.477) 3.060 4.408 ( -3.911 0.740 0.451) 4.005 4.487 ( -6.989 1.524 -1.958) 7.417 7.644 ( 0.417 -1.035 0.031) 1.116 7.654 ( -0.554 -0.737 -0.146) 0.933 7.691 ( 0.823 0.319 0.423) 0.979 7.704 ( -0.165 0.352 -0.648) 0.756 7.910 ( 0.560 0.510 0.715) 1.042 7.923 ( 0.132 0.563 -0.214) 0.616 7.934 ( -0.360 0.989 -0.148) 1.063 7.943 ( -0.701 1.751 -0.220) 1.899 13.017 ( 0.389 -0.108 0.111) 0.419 13.029 ( -0.664 -0.048 -0.287) 0.725 13.057 ( 0.637 0.240 0.632) 0.929 13.070 ( -0.341 0.429 -0.524) 0.759 14.124 ( 0.218 0.109 -0.362) 0.436 14.126 ( -0.132 0.107 0.329) 0.370 14.135 ( 0.031 0.067 0.453) 0.459 14.138 ( 0.054 0.054 -0.423) 0.430 23.517 ( 1.387 3.687 2.452) 4.640 23.580 ( -2.843 3.214 -3.126) 5.309 23.843 ( 2.130 0.941 1.576) 2.812 23.904 ( -3.166 0.749 -2.327) 4.000 23.988 ( 1.802 -1.440 -0.833) 2.452 24.030 ( -2.998 -1.437 1.857) 3.808 24.544 ( 6.043 -5.182 5.392) 9.615 24.660 ( -2.705 -7.767 -3.259) 8.847 ======================= Grid point 102 (47/55) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.859 10.268 -5.689) 11.770 0.807 ( 0.859 10.268 5.689) 11.770 1.074 ( 3.982 7.741 -9.844) 13.141 1.074 ( -3.982 7.741 9.844) 13.141 1.173 ( -2.163 0.377 -1.410) 2.610 1.173 ( 2.163 0.377 1.410) 2.610 1.419 ( -0.512 0.543 -1.141) 1.363 1.419 ( 0.512 0.543 1.141) 1.363 1.480 ( 0.591 3.303 -2.461) 4.161 1.480 ( -0.591 3.303 2.461) 4.161 1.588 ( 0.929 3.305 -2.317) 4.142 1.588 ( -0.929 3.305 2.317) 4.142 1.653 ( 1.475 4.521 -2.787) 5.512 1.653 ( -1.475 4.521 2.787) 5.512 1.683 ( -1.005 4.520 -3.553) 5.837 1.683 ( 1.005 4.520 3.553) 5.837 1.794 ( -2.368 6.461 -4.656) 8.308 1.794 ( 2.368 6.461 4.656) 8.308 1.870 ( -0.677 1.987 -2.190) 3.034 1.870 ( 0.677 1.987 2.190) 3.034 1.987 ( 1.760 2.058 -5.783) 6.386 1.987 ( -1.760 2.058 5.783) 6.386 2.030 ( -0.185 4.136 -3.528) 5.439 2.030 ( 0.185 4.136 3.528) 5.439 2.082 ( -1.452 -1.378 -2.083) 2.889 2.082 ( 1.452 -1.378 2.083) 2.889 2.234 ( -0.272 4.462 -4.935) 6.659 2.234 ( 0.272 4.462 4.935) 6.659 2.307 ( 0.578 0.224 -1.553) 1.672 2.307 ( -0.578 0.224 1.553) 1.672 2.400 ( -1.694 2.345 -2.257) 3.670 2.400 ( 1.694 2.345 2.257) 3.670 2.426 ( -0.406 3.533 -1.526) 3.870 2.426 ( 0.406 3.533 1.526) 3.870 2.704 ( -2.602 -2.883 -2.394) 4.562 2.704 ( 2.602 -2.883 2.394) 4.562 2.794 ( -4.683 5.688 -0.601) 7.392 2.794 ( 4.683 5.688 0.601) 7.392 2.850 ( 4.492 -4.197 -2.699) 6.714 2.850 ( -4.492 -4.197 2.699) 6.714 3.109 ( 0.779 3.702 -1.655) 4.129 3.109 ( -0.779 3.702 1.655) 4.129 3.190 ( -2.276 -0.490 -0.128) 2.332 3.190 ( 2.276 -0.490 0.128) 2.332 3.512 ( -1.391 -3.271 -0.220) 3.561 3.512 ( 1.391 -3.271 0.220) 3.561 3.620 ( 0.117 -1.231 -1.435) 1.895 3.620 ( -0.117 -1.231 1.435) 1.895 3.685 ( -1.191 -2.575 -2.055) 3.504 3.685 ( 1.191 -2.575 2.055) 3.504 3.788 ( 0.592 -1.502 -1.391) 2.131 3.788 ( -0.592 -1.502 1.391) 2.131 3.814 ( -2.062 -3.437 -0.204) 4.014 3.814 ( 2.062 -3.437 0.204) 4.014 3.952 ( -3.616 -3.960 -2.480) 5.908 3.952 ( 3.616 -3.960 2.480) 5.908 4.228 ( -0.386 -1.211 -1.803) 2.206 4.228 ( 0.386 -1.211 1.803) 2.206 4.593 ( 1.102 -4.844 -8.745) 10.058 4.593 ( -1.102 -4.844 8.745) 10.058 7.644 ( -1.048 0.152 0.133) 1.067 7.644 ( 1.048 0.152 -0.133) 1.067 7.684 ( -0.817 -0.194 -0.097) 0.845 7.684 ( 0.817 -0.194 0.097) 0.845 7.912 ( -0.322 0.797 -0.073) 0.862 7.912 ( 0.322 0.797 0.073) 0.862 7.986 ( -0.227 0.475 -0.406) 0.665 7.986 ( 0.227 0.475 0.406) 0.665 13.022 ( -0.606 0.185 -0.272) 0.690 13.022 ( 0.606 0.185 0.272) 0.690 13.070 ( -0.757 -0.042 -0.232) 0.793 13.070 ( 0.757 -0.042 0.232) 0.793 14.125 ( 0.049 0.194 -0.425) 0.470 14.125 ( -0.049 0.194 0.425) 0.470 14.136 ( 0.147 0.057 -0.209) 0.262 14.136 ( -0.147 0.057 0.209) 0.262 23.716 ( -3.224 4.142 -0.597) 5.283 23.716 ( 3.224 4.142 0.597) 5.283 23.844 ( 3.466 3.359 -2.930) 5.647 23.844 ( -3.466 3.359 2.930) 5.647 24.111 ( -0.179 -2.898 -0.650) 2.975 24.111 ( 0.179 -2.898 0.650) 2.975 24.279 ( 3.057 -8.118 -4.890) 9.958 24.279 ( -3.057 -8.118 4.890) 9.958 ======================= Grid point 104 (48/55) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -1.284 9.387 0.400) 9.483 0.928 ( 4.288 9.163 2.379) 10.393 1.046 ( -1.950 5.386 4.588) 7.339 1.114 ( 4.364 8.190 -3.484) 9.913 1.136 ( -0.431 6.946 1.481) 7.115 1.224 ( 0.982 -1.032 -0.148) 1.432 1.366 ( -5.659 4.269 -0.483) 7.105 1.419 ( 1.118 0.596 -0.467) 1.350 1.438 ( -1.470 4.984 -0.112) 5.197 1.483 ( -0.739 0.799 -2.457) 2.687 1.567 ( -1.529 4.773 0.132) 5.014 1.576 ( 0.440 8.834 -2.758) 9.265 1.596 ( -0.416 5.218 0.272) 5.242 1.675 ( 2.012 3.960 -3.934) 5.934 1.714 ( 1.144 1.317 1.013) 2.018 1.732 ( 1.034 -0.520 2.647) 2.889 1.753 ( -2.038 3.353 -1.131) 4.084 1.843 ( -0.051 0.520 -0.770) 0.931 1.881 ( 2.353 -0.740 -0.657) 2.553 1.913 ( -0.150 1.299 1.644) 2.101 1.960 ( 1.946 8.122 4.258) 9.375 1.985 ( 1.585 2.775 -6.528) 7.268 2.017 ( -1.052 0.856 -0.462) 1.433 2.082 ( 2.697 2.476 1.378) 3.912 2.088 ( 2.302 3.424 2.099) 4.629 2.134 ( 2.354 -2.992 1.778) 4.202 2.191 ( -2.590 1.602 -2.661) 4.044 2.224 ( -4.722 0.137 -0.732) 4.781 2.249 ( -1.488 7.279 -0.952) 7.490 2.314 ( -3.045 2.588 5.375) 6.698 2.343 ( 0.046 2.139 0.330) 2.165 2.409 ( 0.150 0.257 3.333) 3.346 2.436 ( 0.028 7.893 0.593) 7.916 2.487 ( 3.797 3.606 0.006) 5.237 2.612 ( -8.162 6.310 -1.558) 10.433 2.667 ( 1.173 -1.857 -1.998) 2.970 2.779 ( -3.180 -4.000 2.916) 5.884 2.843 ( 3.434 0.482 -0.082) 3.469 2.853 ( 0.847 1.005 -2.853) 3.141 2.914 ( 3.422 -3.340 -2.120) 5.230 3.080 ( -1.936 2.256 1.299) 3.244 3.110 ( -0.681 4.078 -1.186) 4.302 3.152 ( -0.683 -0.092 0.072) 0.693 3.227 ( 1.179 -1.303 0.301) 1.783 3.479 ( -1.740 -3.944 1.767) 4.659 3.534 ( -0.939 -3.532 -0.342) 3.671 3.598 ( -1.859 -2.205 0.485) 2.924 3.611 ( 1.183 -0.478 -0.506) 1.372 3.641 ( -2.065 -2.880 -0.038) 3.544 3.726 ( 0.673 -2.653 0.293) 2.753 3.787 ( 0.197 -2.172 0.444) 2.226 3.793 ( 2.315 -2.168 2.143) 3.828 3.823 ( -1.125 -1.136 -1.837) 2.436 3.884 ( 1.949 -2.745 -0.523) 3.407 3.909 ( 3.872 -3.737 -0.424) 5.398 4.017 ( 2.375 -4.050 -0.647) 4.739 4.226 ( 1.114 -1.476 -1.157) 2.181 4.259 ( 1.865 -1.581 2.165) 3.266 4.495 ( -5.806 -4.423 -2.931) 7.865 4.585 ( -3.998 -3.929 2.192) 6.019 7.629 ( -0.399 0.006 0.044) 0.401 7.656 ( -0.249 -0.234 -0.378) 0.510 7.677 ( 0.561 0.082 0.147) 0.586 7.702 ( 0.888 -0.191 -0.483) 1.029 7.910 ( 0.153 0.633 0.215) 0.685 7.925 ( 0.848 0.931 0.164) 1.270 7.966 ( -1.110 0.493 -0.044) 1.216 7.989 ( -0.318 0.774 -0.175) 0.854 13.014 ( -0.099 0.195 0.004) 0.218 13.036 ( 0.448 0.123 0.221) 0.514 13.053 ( -0.538 0.018 -0.256) 0.596 13.080 ( 0.171 -0.074 -0.268) 0.327 14.125 ( 0.118 0.197 -0.268) 0.353 14.128 ( 0.046 0.169 0.261) 0.315 14.135 ( -0.063 0.083 0.242) 0.263 14.138 ( 0.133 0.030 -0.232) 0.269 23.637 ( -3.464 5.604 -0.139) 6.590 23.728 ( -2.280 4.602 -1.763) 5.430 23.820 ( 0.690 1.356 3.513) 3.829 23.915 ( 4.291 1.510 -4.522) 6.414 24.013 ( -7.721 -3.190 2.214) 8.642 24.050 ( -3.514 -2.360 0.030) 4.233 24.309 ( 4.704 -5.270 4.019) 8.127 24.431 ( 7.020 -10.088 -2.070) 12.463 ======================= Grid point 105 (49/55) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 4.922 10.786 1.289) 11.926 0.907 ( -5.738 11.635 -2.099) 13.142 1.069 ( 2.970 6.160 2.079) 7.147 1.155 ( -3.414 4.437 2.024) 5.953 1.205 ( 3.323 2.520 5.024) 6.530 1.230 ( 5.317 5.780 -5.364) 9.510 1.289 ( -2.017 1.426 -2.498) 3.513 1.345 ( -6.335 6.432 2.208) 9.294 1.451 ( 2.093 1.566 0.474) 2.656 1.489 ( 0.329 5.268 -3.507) 6.337 1.561 ( 0.354 2.883 5.137) 5.901 1.599 ( 0.507 3.697 -4.873) 6.138 1.615 ( 3.381 8.634 0.850) 9.312 1.667 ( -1.049 2.464 -1.479) 3.059 1.696 ( -1.974 1.075 1.537) 2.723 1.712 ( 0.609 3.268 -1.404) 3.609 1.772 ( -0.547 -0.850 1.148) 1.530 1.811 ( -3.434 2.953 -1.579) 4.796 1.872 ( 2.237 -1.118 0.345) 2.525 1.931 ( -1.607 -1.315 0.362) 2.108 1.996 ( 3.089 3.516 -0.956) 4.777 2.004 ( 1.804 1.138 -1.716) 2.738 2.046 ( -0.828 3.402 0.716) 3.573 2.082 ( -1.126 -0.087 -2.770) 2.991 2.100 ( -2.780 2.610 2.302) 4.454 2.145 ( 0.025 -0.203 -3.194) 3.200 2.184 ( 1.743 -0.649 0.394) 1.901 2.197 ( -0.620 3.124 0.879) 3.304 2.205 ( 2.624 4.507 3.268) 6.155 2.286 ( -2.873 2.858 -1.606) 4.359 2.364 ( 0.842 4.143 5.542) 6.971 2.430 ( -1.974 6.041 -3.252) 7.139 2.457 ( 2.123 3.350 0.552) 4.004 2.486 ( -2.422 5.130 2.714) 6.289 2.573 ( 4.328 6.735 5.926) 9.961 2.705 ( 2.510 -2.888 -2.623) 4.639 2.714 ( -4.000 2.014 -4.763) 6.538 2.766 ( -4.108 1.423 -1.142) 4.495 2.915 ( 1.833 -2.469 1.248) 3.318 2.939 ( 0.027 -1.686 -1.408) 2.197 3.066 ( -0.245 1.223 1.747) 2.146 3.084 ( -0.893 2.638 -1.888) 3.364 3.181 ( 2.975 -0.505 0.739) 3.107 3.231 ( -1.126 -1.684 -0.145) 2.030 3.465 ( -0.212 -2.855 1.241) 3.120 3.493 ( -2.179 -2.495 -1.020) 3.466 3.579 ( -0.329 -3.592 0.942) 3.728 3.595 ( -1.359 -3.656 -1.409) 4.147 3.655 ( 1.887 -0.928 1.757) 2.740 3.708 ( -2.650 -2.387 -0.817) 3.659 3.778 ( 1.014 -0.061 -1.688) 1.970 3.795 ( -0.782 -0.941 0.285) 1.256 3.879 ( 3.715 -5.155 2.480) 6.821 3.931 ( -0.251 -5.221 -0.311) 5.236 3.972 ( 3.371 -1.840 1.786) 4.236 4.028 ( -0.581 -2.571 -2.640) 3.730 4.265 ( 3.281 -2.479 -0.423) 4.134 4.319 ( 1.084 -2.969 0.947) 3.300 4.388 ( -0.993 -2.448 -1.362) 2.972 4.481 ( -6.771 -2.453 0.796) 7.245 7.630 ( 0.409 -0.232 0.077) 0.477 7.642 ( -0.731 -0.295 -0.241) 0.824 7.695 ( 0.798 0.033 0.507) 0.946 7.707 ( -0.055 -0.127 -0.715) 0.728 7.919 ( 0.580 0.503 0.507) 0.920 7.934 ( -0.391 0.468 -0.450) 0.758 7.956 ( 0.477 1.108 0.418) 1.277 7.974 ( -0.918 1.122 -0.381) 1.499 13.018 ( 0.393 0.183 0.274) 0.512 13.029 ( -0.602 0.136 -0.401) 0.736 13.060 ( 0.666 -0.037 0.562) 0.872 13.074 ( -0.463 -0.072 -0.577) 0.743 14.127 ( 0.167 0.180 -0.227) 0.334 14.128 ( -0.100 0.162 0.206) 0.281 14.137 ( 0.045 0.065 0.301) 0.311 14.139 ( 0.032 0.032 -0.278) 0.282 23.609 ( 0.532 5.146 1.000) 5.269 23.658 ( -3.189 4.343 -2.006) 5.749 23.859 ( 1.405 0.510 2.670) 3.060 23.909 ( -3.606 -0.630 0.176) 3.665 23.960 ( 2.687 -0.949 -3.563) 4.563 23.995 ( -2.517 -1.948 1.417) 3.484 24.423 ( 4.210 -6.384 4.078) 8.666 24.486 ( 0.145 -8.764 -3.107) 9.300 ======================= Grid point 108 (50/55) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -3.725 9.945 -1.246) 10.693 1.016 ( 3.725 9.945 1.246) 10.693 1.160 ( 2.785 2.150 -2.341) 4.226 1.160 ( -2.785 2.150 2.341) 4.226 1.246 ( 3.576 4.442 -6.194) 8.419 1.246 ( -3.576 4.442 6.194) 8.419 1.411 ( -3.700 -0.261 0.572) 3.753 1.411 ( 3.700 -0.261 -0.572) 3.753 1.514 ( -2.496 -0.253 -0.509) 2.560 1.514 ( 2.496 -0.253 0.509) 2.560 1.622 ( -1.169 1.634 -2.241) 3.010 1.622 ( 1.169 1.634 2.241) 3.010 1.681 ( -0.721 -1.282 -1.845) 2.360 1.681 ( 0.721 -1.282 1.845) 2.360 1.749 ( 1.292 3.003 -2.324) 4.011 1.749 ( -1.292 3.003 2.324) 4.011 1.836 ( -0.686 -1.353 -2.391) 2.832 1.836 ( 0.686 -1.353 2.391) 2.832 1.905 ( -2.339 0.136 -1.461) 2.761 1.905 ( 2.339 0.136 1.461) 2.761 2.032 ( -1.729 0.943 -2.693) 3.336 2.032 ( 1.729 0.943 2.693) 3.336 2.065 ( 1.671 1.436 -2.958) 3.689 2.065 ( -1.671 1.436 2.958) 3.689 2.143 ( -2.837 6.022 -4.170) 7.855 2.143 ( 2.837 6.022 4.170) 7.855 2.280 ( -2.718 0.069 -5.705) 6.320 2.280 ( 2.718 0.069 5.705) 6.320 2.336 ( -0.039 0.491 -4.070) 4.100 2.336 ( 0.039 0.491 4.070) 4.100 2.395 ( -0.394 0.508 -4.243) 4.291 2.395 ( 0.394 0.508 4.243) 4.291 2.584 ( -1.789 6.323 -2.740) 7.120 2.584 ( 1.789 6.323 2.740) 7.120 2.664 ( -0.819 0.854 -1.719) 2.087 2.664 ( 0.819 0.854 1.719) 2.087 2.771 ( 2.320 -1.939 -1.589) 3.416 2.771 ( -2.320 -1.939 1.589) 3.416 2.893 ( -1.030 2.448 -1.386) 2.996 2.893 ( 1.030 2.448 1.386) 2.996 3.156 ( 0.734 1.445 -1.059) 1.936 3.156 ( -0.734 1.445 1.059) 1.936 3.246 ( -1.694 5.902 -0.899) 6.206 3.246 ( 1.694 5.902 0.899) 6.206 3.448 ( -1.100 -3.250 -1.285) 3.663 3.448 ( 1.100 -3.250 1.285) 3.663 3.585 ( -0.644 -2.084 -2.005) 2.963 3.585 ( 0.644 -2.084 2.005) 2.963 3.647 ( -2.473 -1.244 -0.926) 2.919 3.647 ( 2.473 -1.244 0.926) 2.919 3.726 ( 0.571 -4.280 -0.816) 4.395 3.726 ( -0.571 -4.280 0.816) 4.395 3.772 ( -1.803 -0.973 -1.726) 2.679 3.772 ( 1.803 -0.973 1.726) 2.679 3.908 ( -1.321 -0.745 -1.644) 2.236 3.908 ( 1.321 -0.745 1.644) 2.236 4.226 ( -0.036 1.392 -0.925) 1.672 4.226 ( 0.036 1.392 0.925) 1.672 4.459 ( -0.275 -8.074 -5.668) 9.869 4.459 ( 0.275 -8.074 5.668) 9.869 7.651 ( -0.313 0.462 0.060) 0.561 7.651 ( 0.313 0.462 -0.060) 0.561 7.677 ( -0.617 -0.472 -0.174) 0.796 7.677 ( 0.617 -0.472 0.174) 0.796 7.929 ( -0.364 0.842 -0.125) 0.926 7.929 ( 0.364 0.842 0.125) 0.926 7.986 ( -0.352 -0.229 -0.142) 0.443 7.986 ( 0.352 -0.229 0.142) 0.443 13.029 ( -0.515 0.476 -0.185) 0.725 13.029 ( 0.515 0.476 0.185) 0.725 13.064 ( -0.583 -0.541 -0.233) 0.829 13.064 ( 0.583 -0.541 0.233) 0.829 14.129 ( 0.036 0.148 -0.266) 0.307 14.129 ( -0.036 0.148 0.266) 0.307 14.137 ( 0.079 0.021 -0.107) 0.134 14.137 ( -0.079 0.021 0.107) 0.134 23.775 ( -1.396 1.819 -0.972) 2.491 23.775 ( 1.396 1.819 0.972) 2.491 23.912 ( -0.881 3.357 -0.816) 3.565 23.912 ( 0.881 3.357 0.816) 3.565 24.065 ( -1.262 -1.574 -0.072) 2.019 24.065 ( 1.262 -1.574 0.072) 2.019 24.138 ( -0.085 -5.953 -3.232) 6.774 24.138 ( 0.085 -5.953 3.232) 6.774 ======================= Grid point 110 (51/55) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -1.228 10.560 0.400) 10.639 1.112 ( 2.039 8.001 1.778) 8.446 1.144 ( 1.790 3.887 0.901) 4.373 1.201 ( 1.066 -0.210 0.538) 1.213 1.215 ( -1.941 3.481 4.081) 5.704 1.294 ( 3.779 5.841 -4.997) 8.566 1.376 ( 0.187 -2.564 0.077) 2.572 1.439 ( -4.729 1.589 0.884) 5.067 1.492 ( 4.362 0.934 -2.500) 5.113 1.523 ( -4.092 3.367 0.375) 5.312 1.593 ( 2.238 -1.326 1.372) 2.941 1.652 ( -0.588 1.649 0.975) 2.004 1.674 ( -0.377 -0.512 0.869) 1.077 1.692 ( 0.032 -1.540 0.432) 1.600 1.724 ( -0.950 1.574 -1.963) 2.690 1.763 ( 1.800 2.788 -3.130) 4.561 1.806 ( -1.408 0.629 0.021) 1.543 1.859 ( -0.431 0.312 0.161) 0.556 1.889 ( 1.323 -0.503 2.737) 3.081 1.928 ( -0.133 3.021 -1.430) 3.345 2.011 ( -1.206 -2.775 2.717) 4.067 2.024 ( -3.131 0.740 -2.588) 4.129 2.060 ( 1.647 1.056 -2.472) 3.153 2.076 ( 0.622 3.050 -1.372) 3.402 2.120 ( 0.310 1.229 2.693) 2.977 2.186 ( 0.915 -0.784 -4.491) 4.649 2.238 ( 1.462 7.044 3.582) 8.036 2.263 ( -3.859 1.165 -1.097) 4.178 2.327 ( -3.073 -0.544 3.801) 4.919 2.342 ( -0.861 2.895 -2.959) 4.228 2.389 ( 2.876 1.890 -0.466) 3.473 2.434 ( 1.492 1.297 2.019) 2.826 2.551 ( 0.271 3.879 -0.484) 3.919 2.599 ( -0.366 2.445 1.598) 2.944 2.656 ( -0.617 -0.918 2.476) 2.711 2.706 ( -3.151 -0.012 -1.250) 3.390 2.727 ( 1.712 4.055 1.427) 4.628 2.814 ( 3.353 0.058 -2.128) 3.971 2.897 ( 1.864 3.328 -0.569) 3.857 2.926 ( 1.580 2.341 -1.816) 3.357 3.129 ( -1.960 1.842 0.896) 2.835 3.149 ( -0.952 0.395 -0.741) 1.269 3.197 ( -1.909 4.812 -0.454) 5.196 3.262 ( -0.872 4.635 0.353) 4.729 3.418 ( -0.849 -2.003 0.064) 2.177 3.456 ( -0.435 -3.790 -0.314) 3.828 3.548 ( -2.305 -1.885 -0.763) 3.074 3.580 ( -2.074 -3.414 1.687) 4.336 3.622 ( 0.604 0.541 1.117) 1.380 3.652 ( -0.572 -3.699 -0.562) 3.785 3.750 ( 1.462 -1.256 0.795) 2.085 3.759 ( 2.516 -1.570 0.932) 3.109 3.795 ( 2.998 -1.903 -1.378) 3.809 3.854 ( 3.984 -2.572 2.380) 5.307 3.857 ( -1.990 0.697 -0.755) 2.239 3.945 ( 2.282 -3.330 -1.953) 4.484 4.216 ( -0.055 0.805 -0.265) 0.850 4.238 ( 0.489 0.224 0.999) 1.135 4.380 ( -4.015 -6.385 -2.679) 8.004 4.466 ( -2.506 -7.580 2.058) 8.244 7.637 ( -0.484 0.769 0.147) 0.921 7.655 ( -0.316 0.072 -0.459) 0.562 7.677 ( 0.605 -0.138 0.097) 0.628 7.692 ( 0.690 -0.790 -0.176) 1.064 7.925 ( 0.023 0.828 0.019) 0.828 7.940 ( 0.516 0.428 -0.012) 0.670 7.973 ( -0.625 0.342 0.125) 0.724 7.992 ( -0.014 -0.296 -0.084) 0.308 13.022 ( -0.118 0.596 0.032) 0.608 13.041 ( 0.524 0.323 0.248) 0.664 13.049 ( -0.594 -0.321 -0.354) 0.763 13.071 ( 0.114 -0.736 -0.115) 0.753 14.129 ( 0.086 0.178 -0.145) 0.245 14.130 ( 0.054 0.108 0.143) 0.187 14.137 ( -0.022 0.056 0.115) 0.129 14.138 ( 0.079 -0.020 -0.109) 0.136 23.731 ( -2.444 3.719 0.133) 4.452 23.792 ( -1.125 1.198 0.022) 1.644 23.855 ( -2.040 2.727 1.203) 3.612 23.937 ( -0.582 0.629 -1.525) 1.750 23.960 ( -3.856 -1.985 0.297) 4.347 24.006 ( -2.799 -2.058 -1.556) 3.807 24.219 ( 5.422 -3.258 2.428) 6.775 24.269 ( 6.521 -5.997 -0.633) 8.882 ======================= Grid point 111 (52/55) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 5.818 10.414 1.738) 12.055 1.111 ( -3.444 7.607 -0.051) 8.350 1.177 ( 1.032 3.294 -1.564) 3.790 1.199 ( -1.079 0.377 0.145) 1.152 1.239 ( 2.234 4.010 6.185) 7.702 1.322 ( -1.353 4.390 -3.800) 5.961 1.363 ( 0.976 3.714 -2.985) 4.864 1.418 ( -3.848 2.309 -0.346) 4.501 1.433 ( 3.580 -2.934 3.242) 5.651 1.555 ( -5.035 -1.009 -0.555) 5.165 1.573 ( 2.627 -1.051 -1.778) 3.342 1.640 ( -3.012 2.817 1.101) 4.269 1.679 ( 4.153 -0.123 -0.645) 4.205 1.708 ( 0.419 -0.572 -0.473) 0.852 1.714 ( -0.123 0.118 0.278) 0.326 1.758 ( -2.266 4.162 0.545) 4.770 1.821 ( 3.338 2.632 -1.307) 4.447 1.858 ( -0.940 -0.697 1.055) 1.576 1.882 ( -1.711 0.634 1.583) 2.415 1.905 ( -1.749 4.923 -1.335) 5.392 1.997 ( 2.125 -2.258 0.842) 3.213 2.029 ( 1.227 -3.325 3.143) 4.737 2.053 ( -1.055 -0.465 -3.352) 3.544 2.087 ( -1.627 -1.589 -2.895) 3.682 2.111 ( 2.446 1.463 0.533) 2.899 2.174 ( -3.315 2.412 -2.547) 4.826 2.225 ( 1.451 3.511 1.073) 3.947 2.262 ( -2.559 2.648 0.566) 3.726 2.298 ( 1.712 3.445 4.159) 5.666 2.333 ( -0.045 1.640 -2.212) 2.754 2.428 ( 1.520 2.709 0.606) 3.165 2.456 ( -0.539 0.689 -0.173) 0.891 2.564 ( 1.397 -0.053 -0.116) 1.403 2.600 ( -1.462 0.287 -0.689) 1.642 2.647 ( -0.679 1.461 2.315) 2.821 2.651 ( -0.351 4.281 -0.660) 4.346 2.778 ( 2.005 4.895 3.940) 6.596 2.844 ( -1.075 4.552 -5.429) 7.166 2.906 ( 2.251 1.500 0.670) 2.787 2.948 ( -0.376 1.993 -0.574) 2.108 3.107 ( -0.270 1.904 0.944) 2.142 3.126 ( -1.095 1.163 -0.919) 1.843 3.189 ( 1.502 2.161 -0.597) 2.699 3.228 ( -2.284 1.999 0.354) 3.056 3.424 ( 0.979 -0.724 0.965) 1.553 3.446 ( -0.462 -1.616 -0.515) 1.758 3.513 ( -0.601 -2.726 -0.390) 2.819 3.533 ( -2.681 -2.642 0.006) 3.764 3.638 ( 1.442 -1.665 0.542) 2.268 3.665 ( -0.395 -1.768 1.574) 2.400 3.770 ( 0.083 -0.926 0.994) 1.361 3.781 ( -0.711 -0.211 -2.924) 3.017 3.812 ( 1.714 -1.112 0.784) 2.188 3.841 ( -0.668 -3.332 -0.012) 3.399 3.937 ( 2.775 -2.054 2.713) 4.391 3.972 ( 0.941 -3.533 -2.968) 4.709 4.227 ( 1.377 -0.742 -0.837) 1.774 4.251 ( -0.765 -2.726 1.121) 3.045 4.325 ( 0.989 -3.427 -0.324) 3.582 4.396 ( -4.719 -5.605 0.287) 7.332 7.635 ( 0.183 0.690 0.158) 0.731 7.644 ( -0.495 0.359 -0.314) 0.687 7.690 ( 0.556 -0.443 0.312) 0.777 7.698 ( 0.037 -0.785 -0.379) 0.873 7.930 ( 0.396 0.566 0.200) 0.720 7.940 ( -0.399 0.142 -0.288) 0.512 7.973 ( 0.473 0.640 0.318) 0.857 7.986 ( -0.539 0.091 -0.205) 0.584 13.025 ( 0.301 0.505 0.271) 0.647 13.034 ( -0.519 0.331 -0.408) 0.739 13.055 ( 0.567 -0.365 0.396) 0.782 13.067 ( -0.390 -0.632 -0.364) 0.827 14.130 ( 0.116 0.169 -0.131) 0.243 14.131 ( -0.050 0.128 0.127) 0.187 14.138 ( 0.041 0.021 0.126) 0.134 14.139 ( 0.012 -0.024 -0.119) 0.122 23.701 ( -0.253 3.807 0.394) 3.835 23.733 ( -2.979 2.733 -1.026) 4.171 23.862 ( 0.557 0.054 2.517) 2.578 23.888 ( -1.887 -0.975 0.618) 2.212 23.948 ( 0.541 -0.607 -2.009) 2.168 23.961 ( -1.159 -1.420 -1.129) 2.153 24.318 ( 2.992 -3.786 2.428) 5.402 24.344 ( 1.604 -5.273 -1.582) 5.734 ======================= Grid point 114 (53/55) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 -0.000 0.000) 0.000 1.151 ( 0.000 -0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.174 ( -0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.262 ( -0.000 0.000 0.000) 0.000 1.454 ( -0.000 -0.000 0.000) 0.000 1.454 ( -0.000 0.000 0.000) 0.000 1.476 ( -0.000 -0.000 -0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 -0.000 -0.000) 0.000 1.646 ( -0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 -0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 -0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 -0.000) 0.000 1.807 ( -0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 2.064 ( -0.000 0.000 -0.000) 0.000 2.064 ( 0.000 -0.000 -0.000) 0.000 2.066 ( -0.000 -0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.271 ( -0.000 0.000 -0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.349 ( -0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 -0.000) 0.000 2.402 ( -0.000 0.000 0.000) 0.000 2.402 ( -0.000 0.000 0.000) 0.000 2.598 ( -0.000 0.000 0.000) 0.000 2.598 ( -0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 -0.000 0.000) 0.000 2.804 ( -0.000 0.000 -0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.897 ( -0.000 0.000 -0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.182 ( -0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.324 ( -0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.543 ( -0.000 0.000 0.000) 0.000 3.543 ( -0.000 0.000 0.000) 0.000 3.638 ( -0.000 0.000 -0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.677 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 -0.000 0.000) 0.000 4.283 ( -0.000 0.000 0.000) 0.000 4.326 ( -0.000 -0.000 -0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.669 ( -0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.983 ( -0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.130 ( -0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 23.791 ( -0.000 0.000 0.000) 0.000 23.791 ( 0.000 0.000 0.000) 0.000 23.957 ( 0.000 0.000 0.000) 0.000 23.957 ( -0.000 0.000 0.000) 0.000 24.053 ( -0.000 -0.000 -0.000) 0.000 24.053 ( 0.000 -0.000 0.000) 0.000 24.064 ( -0.000 0.000 -0.000) 0.000 24.064 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 118 (54/55) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.302 -6.361 -0.547) 6.392 1.120 ( -0.302 6.361 -0.547) 6.392 1.209 ( 1.206 -0.576 -0.170) 1.347 1.209 ( 1.206 0.576 -0.170) 1.347 1.269 ( 0.640 -2.545 2.749) 3.800 1.269 ( 0.640 2.545 2.749) 3.800 1.427 ( -1.128 -2.868 -1.748) 3.543 1.427 ( -1.128 2.868 -1.748) 3.543 1.520 ( 2.850 -3.139 1.128) 4.387 1.520 ( 2.850 3.139 1.128) 4.387 1.604 ( -4.938 -3.960 -0.679) 6.366 1.604 ( -4.938 3.960 -0.679) 6.366 1.694 ( 2.783 -0.977 1.531) 3.323 1.694 ( 2.783 0.977 1.531) 3.323 1.767 ( 0.321 -2.408 -2.419) 3.428 1.767 ( 0.321 2.408 -2.419) 3.428 1.825 ( 1.018 -1.788 0.557) 2.132 1.825 ( 1.018 1.788 0.557) 2.132 1.911 ( 0.404 -3.144 1.676) 3.585 1.911 ( 0.404 3.144 1.676) 3.585 2.014 ( -2.348 -2.585 -0.177) 3.497 2.014 ( -2.348 2.585 -0.177) 3.497 2.101 ( -1.852 -2.272 -0.167) 2.936 2.101 ( -1.852 2.272 -0.167) 2.936 2.143 ( 0.928 -3.053 -4.917) 5.862 2.143 ( 0.928 3.053 -4.917) 5.862 2.281 ( -2.734 -1.480 5.050) 5.930 2.281 ( -2.734 1.480 5.050) 5.930 2.364 ( 1.782 -2.649 -0.750) 3.279 2.364 ( 1.782 2.649 -0.750) 3.279 2.427 ( 1.610 -1.990 -0.111) 2.562 2.427 ( 1.610 1.990 -0.111) 2.562 2.579 ( -1.478 -2.395 0.488) 2.856 2.579 ( -1.478 2.395 0.488) 2.856 2.685 ( -0.253 -1.971 -2.153) 2.930 2.685 ( -0.253 1.971 -2.153) 2.930 2.800 ( 1.773 -3.451 0.590) 3.925 2.800 ( 1.773 3.451 0.590) 3.925 2.954 ( 3.007 -1.204 0.262) 3.250 2.954 ( 3.007 1.204 0.262) 3.250 3.155 ( -2.163 -0.347 -0.079) 2.192 3.155 ( -2.163 0.347 -0.079) 2.192 3.293 ( -2.741 -2.977 -0.355) 4.062 3.293 ( -2.741 2.977 -0.355) 4.062 3.410 ( 0.429 -1.095 -0.347) 1.226 3.410 ( 0.429 1.095 -0.347) 1.226 3.529 ( -2.099 -0.834 0.975) 2.460 3.529 ( -2.099 0.834 0.975) 2.460 3.621 ( 0.040 -0.460 0.047) 0.464 3.621 ( 0.040 0.460 0.047) 0.464 3.736 ( 3.500 -0.262 0.223) 3.517 3.736 ( 3.500 0.262 0.223) 3.517 3.795 ( 1.992 -2.225 1.704) 3.438 3.795 ( 1.992 2.225 1.704) 3.438 3.892 ( -0.148 -2.266 -2.002) 3.027 3.892 ( -0.148 2.266 -2.002) 3.027 4.253 ( -1.972 -2.366 0.045) 3.080 4.253 ( -1.972 2.366 0.045) 3.080 4.324 ( -0.793 -4.885 0.126) 4.951 4.324 ( -0.793 4.885 0.126) 4.951 7.653 ( -0.307 -0.527 -0.164) 0.632 7.653 ( -0.307 0.527 -0.164) 0.632 7.677 ( 0.513 -0.427 0.034) 0.668 7.677 ( 0.513 0.427 0.034) 0.668 7.939 ( 0.033 -0.466 -0.107) 0.480 7.939 ( 0.033 0.466 -0.107) 0.480 7.983 ( -0.050 -0.568 0.112) 0.581 7.983 ( -0.050 0.568 0.112) 0.581 13.035 ( -0.042 -0.690 0.017) 0.691 13.035 ( -0.042 0.690 0.017) 0.691 13.055 ( -0.009 -0.753 -0.083) 0.758 13.055 ( -0.009 0.753 -0.083) 0.758 14.131 ( 0.070 -0.048 -0.005) 0.085 14.131 ( 0.070 0.048 -0.005) 0.085 14.138 ( 0.020 -0.042 0.007) 0.047 14.138 ( 0.020 0.042 0.007) 0.047 23.783 ( -1.402 -1.651 1.048) 2.407 23.783 ( -1.402 1.651 1.048) 2.407 23.911 ( -3.979 -2.466 0.071) 4.682 23.911 ( -3.979 2.466 0.071) 4.682 23.967 ( -1.214 -1.772 -2.262) 3.119 23.967 ( -1.214 1.772 -2.262) 3.119 24.198 ( 6.040 -1.256 1.233) 6.291 24.198 ( 6.040 1.256 1.233) 6.291 ======================= Grid point 120 (55/55) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.427 -3.947 0.064) 4.634 1.148 ( 2.427 3.947 0.064) 4.634 1.205 ( -1.029 -0.872 -0.143) 1.356 1.205 ( -1.029 0.872 -0.143) 1.356 1.330 ( 3.549 -4.325 3.168) 6.429 1.330 ( 3.549 4.325 3.168) 6.429 1.403 ( -0.018 -1.445 -1.860) 2.355 1.403 ( -0.018 1.445 -1.860) 2.355 1.480 ( -6.263 -4.020 -1.247) 7.546 1.480 ( -6.263 4.020 -1.247) 7.546 1.597 ( 4.380 -3.401 1.152) 5.664 1.597 ( 4.380 3.401 1.152) 5.664 1.690 ( -3.455 -2.073 0.596) 4.073 1.690 ( -3.455 2.073 0.596) 4.073 1.785 ( -0.236 -3.455 -1.445) 3.752 1.785 ( -0.236 3.455 -1.445) 3.752 1.855 ( 3.291 -2.291 -1.208) 4.188 1.855 ( 3.291 2.291 -1.208) 4.188 1.905 ( -2.037 -4.013 2.327) 5.067 1.905 ( -2.037 4.013 2.327) 5.067 1.984 ( 0.721 -1.283 -0.763) 1.658 1.984 ( 0.721 1.283 -0.763) 1.658 2.059 ( -1.606 -0.728 -0.879) 1.970 2.059 ( -1.606 0.728 -0.879) 1.970 2.157 ( 0.726 -2.707 -0.842) 2.926 2.157 ( 0.726 2.707 -0.842) 2.926 2.266 ( -0.808 -1.062 2.671) 2.986 2.266 ( -0.808 1.062 2.671) 2.986 2.355 ( -0.859 -1.235 -1.593) 2.191 2.355 ( -0.859 1.235 -1.593) 2.191 2.455 ( 0.756 -0.502 0.207) 0.931 2.455 ( 0.756 0.502 0.207) 0.931 2.562 ( -0.376 -1.337 0.283) 1.418 2.562 ( -0.376 1.337 0.283) 1.418 2.688 ( 0.955 -0.342 -0.734) 1.252 2.688 ( 0.955 0.342 -0.734) 1.252 2.863 ( 3.097 -3.161 2.107) 4.901 2.863 ( 3.097 3.161 2.107) 4.901 2.960 ( -1.810 -2.132 -2.062) 3.474 2.960 ( -1.810 2.132 -2.062) 3.474 3.131 ( -0.186 -0.647 0.339) 0.753 3.131 ( -0.186 0.647 0.339) 0.753 3.245 ( -1.392 -1.728 -0.394) 2.253 3.245 ( -1.392 1.728 -0.394) 2.253 3.433 ( 1.690 -0.709 0.412) 1.878 3.433 ( 1.690 0.709 0.412) 1.878 3.491 ( -1.848 -1.249 -0.018) 2.230 3.491 ( -1.848 1.249 -0.018) 2.230 3.625 ( -0.171 -1.701 0.747) 1.866 3.625 ( -0.171 1.701 0.747) 1.866 3.768 ( -0.247 -0.628 -0.303) 0.740 3.768 ( -0.247 0.628 -0.303) 0.740 3.815 ( 0.389 -0.627 0.039) 0.739 3.815 ( 0.389 0.627 0.039) 0.739 3.913 ( 1.825 -1.117 -0.427) 2.182 3.913 ( 1.825 1.117 -0.427) 2.182 4.232 ( -0.343 -0.386 0.567) 0.767 4.232 ( -0.343 0.386 0.567) 0.767 4.299 ( -1.187 -2.619 -0.379) 2.900 4.299 ( -1.187 2.619 -0.379) 2.900 7.648 ( -0.099 -0.250 -0.078) 0.280 7.648 ( -0.099 0.250 -0.078) 0.280 7.685 ( 0.218 -0.198 0.002) 0.294 7.685 ( 0.218 0.198 0.002) 0.294 7.939 ( 0.021 -0.285 -0.062) 0.293 7.939 ( 0.021 0.285 -0.062) 0.293 7.982 ( -0.031 -0.345 0.065) 0.352 7.982 ( -0.031 0.345 0.065) 0.352 13.035 ( 0.027 -0.431 0.026) 0.433 13.035 ( 0.027 0.431 0.026) 0.433 13.054 ( -0.057 -0.476 -0.064) 0.483 13.054 ( -0.057 0.476 -0.064) 0.483 14.132 ( 0.044 -0.034 -0.003) 0.055 14.132 ( 0.044 0.034 -0.003) 0.055 14.138 ( 0.011 -0.030 0.005) 0.032 14.138 ( 0.011 0.030 0.005) 0.032 23.750 ( -1.546 -1.007 0.135) 1.850 23.750 ( -1.546 1.007 0.135) 1.850 23.872 ( -0.758 -0.827 1.271) 1.696 23.872 ( -0.758 0.827 1.271) 1.696 23.942 ( -0.342 -0.329 -1.843) 1.903 23.942 ( -0.342 0.329 -1.843) 1.903 24.286 ( 2.300 -0.639 0.490) 2.437 24.286 ( 2.300 0.639 0.490) 2.437 =================== 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 3/13440 10.0 23.151 38.933 36.444 0.000 5.106 0.000 3/13440 20.0 4.727 8.694 6.527 0.000 0.751 0.000 3/13440 30.0 2.209 4.015 2.892 0.000 0.330 0.000 3/13440 40.0 1.405 2.518 1.794 0.000 0.208 0.000 3/13440 50.0 1.033 1.831 1.299 0.000 0.152 0.000 3/13440 60.0 0.821 1.445 1.023 0.000 0.121 0.000 3/13440 70.0 0.685 1.198 0.846 0.000 0.101 0.000 3/13440 80.0 0.589 1.026 0.723 0.000 0.087 0.000 3/13440 90.0 0.517 0.899 0.633 0.000 0.076 0.000 3/13440 100.0 0.462 0.801 0.563 0.000 0.068 0.000 3/13440 110.0 0.418 0.723 0.508 0.000 0.061 0.000 3/13440 120.0 0.381 0.659 0.463 0.000 0.056 0.000 3/13440 130.0 0.351 0.606 0.425 0.000 0.051 0.000 3/13440 140.0 0.325 0.560 0.393 0.000 0.048 0.000 3/13440 150.0 0.303 0.522 0.366 0.000 0.044 0.000 3/13440 160.0 0.284 0.488 0.342 0.000 0.041 0.000 3/13440 170.0 0.267 0.459 0.322 0.000 0.039 0.000 3/13440 180.0 0.252 0.433 0.303 0.000 0.037 0.000 3/13440 190.0 0.238 0.410 0.287 0.000 0.035 0.000 3/13440 200.0 0.226 0.389 0.272 0.000 0.033 0.000 3/13440 210.0 0.216 0.370 0.259 0.000 0.031 0.000 3/13440 220.0 0.206 0.353 0.247 0.000 0.030 0.000 3/13440 230.0 0.197 0.338 0.237 0.000 0.029 0.000 3/13440 240.0 0.189 0.324 0.227 0.000 0.027 0.000 3/13440 250.0 0.181 0.311 0.217 0.000 0.026 0.000 3/13440 260.0 0.174 0.299 0.209 0.000 0.025 0.000 3/13440 270.0 0.168 0.288 0.201 0.000 0.024 0.000 3/13440 280.0 0.162 0.277 0.194 0.000 0.023 0.000 3/13440 290.0 0.157 0.268 0.187 0.000 0.022 0.000 3/13440 300.0 0.152 0.259 0.181 0.000 0.022 0.000 3/13440 310.0 0.147 0.251 0.175 0.000 0.021 0.000 3/13440 320.0 0.142 0.243 0.170 0.000 0.020 0.000 3/13440 330.0 0.138 0.236 0.165 0.000 0.020 0.000 3/13440 340.0 0.134 0.229 0.160 0.000 0.019 0.000 3/13440 350.0 0.131 0.223 0.156 0.000 0.018 0.000 3/13440 360.0 0.127 0.217 0.151 0.000 0.018 0.000 3/13440 370.0 0.124 0.211 0.147 0.000 0.017 0.000 3/13440 380.0 0.121 0.205 0.143 0.000 0.017 0.000 3/13440 390.0 0.118 0.200 0.140 0.000 0.017 0.000 3/13440 400.0 0.115 0.195 0.136 0.000 0.016 0.000 3/13440 410.0 0.112 0.191 0.133 0.000 0.016 0.000 3/13440 420.0 0.110 0.186 0.130 0.000 0.015 0.000 3/13440 430.0 0.107 0.182 0.127 0.000 0.015 0.000 3/13440 440.0 0.105 0.178 0.124 0.000 0.015 0.000 3/13440 450.0 0.103 0.174 0.122 0.000 0.014 0.000 3/13440 460.0 0.100 0.170 0.119 0.000 0.014 0.000 3/13440 470.0 0.098 0.167 0.116 0.000 0.014 0.000 3/13440 480.0 0.096 0.163 0.114 0.000 0.013 0.000 3/13440 490.0 0.095 0.160 0.112 0.000 0.013 0.000 3/13440 500.0 0.093 0.157 0.110 0.000 0.013 0.000 3/13440 510.0 0.091 0.154 0.108 0.000 0.012 0.000 3/13440 520.0 0.089 0.151 0.106 0.000 0.012 0.000 3/13440 530.0 0.088 0.149 0.104 0.000 0.012 0.000 3/13440 540.0 0.086 0.146 0.102 0.000 0.012 0.000 3/13440 550.0 0.085 0.143 0.100 0.000 0.011 0.000 3/13440 560.0 0.083 0.141 0.098 0.000 0.011 0.000 3/13440 570.0 0.082 0.138 0.097 0.000 0.011 0.000 3/13440 580.0 0.081 0.136 0.095 0.000 0.011 0.000 3/13440 590.0 0.079 0.134 0.093 0.000 0.011 0.000 3/13440 600.0 0.078 0.132 0.092 0.000 0.010 0.000 3/13440 610.0 0.077 0.130 0.090 0.000 0.010 0.000 3/13440 620.0 0.076 0.128 0.089 0.000 0.010 0.000 3/13440 630.0 0.075 0.126 0.088 0.000 0.010 0.000 3/13440 640.0 0.074 0.124 0.086 0.000 0.010 0.000 3/13440 650.0 0.072 0.122 0.085 0.000 0.010 0.000 3/13440 660.0 0.071 0.120 0.084 0.000 0.009 0.000 3/13440 670.0 0.070 0.118 0.082 0.000 0.009 0.000 3/13440 680.0 0.069 0.117 0.081 0.000 0.009 0.000 3/13440 690.0 0.069 0.115 0.080 0.000 0.009 0.000 3/13440 700.0 0.068 0.114 0.079 0.000 0.009 0.000 3/13440 710.0 0.067 0.112 0.078 0.000 0.009 0.000 3/13440 720.0 0.066 0.111 0.077 0.000 0.009 0.000 3/13440 730.0 0.065 0.109 0.076 0.000 0.008 0.000 3/13440 740.0 0.064 0.108 0.075 0.000 0.008 0.000 3/13440 750.0 0.063 0.106 0.074 0.000 0.008 0.000 3/13440 760.0 0.063 0.105 0.073 0.000 0.008 0.000 3/13440 770.0 0.062 0.104 0.072 0.000 0.008 0.000 3/13440 780.0 0.061 0.102 0.071 0.000 0.008 0.000 3/13440 790.0 0.060 0.101 0.070 0.000 0.008 0.000 3/13440 800.0 0.060 0.100 0.069 0.000 0.008 0.000 3/13440 810.0 0.059 0.099 0.069 0.000 0.008 0.000 3/13440 820.0 0.058 0.098 0.068 0.000 0.007 0.000 3/13440 830.0 0.058 0.096 0.067 0.000 0.007 0.000 3/13440 840.0 0.057 0.095 0.066 0.000 0.007 0.000 3/13440 850.0 0.056 0.094 0.066 0.000 0.007 0.000 3/13440 860.0 0.056 0.093 0.065 0.000 0.007 0.000 3/13440 870.0 0.055 0.092 0.064 0.000 0.007 0.000 3/13440 880.0 0.055 0.091 0.063 0.000 0.007 0.000 3/13440 890.0 0.054 0.090 0.063 0.000 0.007 0.000 3/13440 900.0 0.054 0.089 0.062 0.000 0.007 0.000 3/13440 910.0 0.053 0.088 0.061 0.000 0.007 0.000 3/13440 920.0 0.052 0.087 0.061 0.000 0.007 0.000 3/13440 930.0 0.052 0.087 0.060 0.000 0.007 0.000 3/13440 940.0 0.051 0.086 0.059 0.000 0.006 0.000 3/13440 950.0 0.051 0.085 0.059 0.000 0.006 0.000 3/13440 960.0 0.050 0.084 0.058 0.000 0.006 0.000 3/13440 970.0 0.050 0.083 0.058 0.000 0.006 0.000 3/13440 980.0 0.050 0.082 0.057 0.000 0.006 0.000 3/13440 990.0 0.049 0.082 0.057 0.000 0.006 0.000 3/13440 1000.0 0.049 0.081 0.056 0.000 0.006 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m584.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:37:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|