----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 7.071266085000000 12.141836820000000 b 3.061792535000001 0.000000000000000 12.141836820000000 c 3.061792535000001 7.071266085000000 0.000000000000000 Atomic positions (fractional): *1 Cs 0.18231197748246 0.18231197748246 0.81768802251754 132.905 2 Cs 0.06768802251754 0.06768802251754 0.43231197748246 132.905 3 Cs 0.81768802251754 0.81768802251754 0.18231197748246 132.905 4 Cs 0.43231197748246 0.43231197748246 0.06768802251754 132.905 *5 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *7 Au 0.43626730428945 0.43626730428945 0.56373269571055 196.967 8 Au 0.68626730428945 0.68626730428945 0.81373269571055 196.967 9 Au 0.81373269571055 0.81373269571055 0.68626730428945 196.967 10 Au 0.56373269571055 0.56373269571055 0.43626730428945 196.967 *11 S 0.83191849714490 0.04792024998701 0.37446139675640 32.065 12 S 0.50430014388831 0.87553860324360 0.20207975001299 32.065 13 S 0.37446139675640 0.74569985611169 0.83191849714490 32.065 14 S 0.87553860324360 0.50430014388831 0.41808150285510 32.065 15 S 0.20207975001299 0.41808150285510 0.50430014388831 32.065 16 S 0.41808150285510 0.20207975001299 0.87553860324360 32.065 17 S 0.74569985611169 0.37446139675640 0.04792024998701 32.065 18 S 0.04792024998701 0.83191849714490 0.74569985611169 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.123585070000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.142532170000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.283673640000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.00000000000000 0.68231197748246 132.905 > 1 2 Cs 0.25000000000000 0.75000000000000 0.56768802251754 132.905 > 2 3 Cs 0.00000000000000 0.00000000000000 0.81768802251754 132.905 > 3 4 Cs 0.25000000000000 0.75000000000000 0.93231197748246 132.905 > 4 5 Cs 0.50000000000000 0.50000000000000 0.18231197748246 132.905 > 1 6 Cs 0.25000000000000 0.25000000000000 0.06768802251754 132.905 > 2 7 Cs 0.00000000000000 0.50000000000000 0.31768802251754 132.905 > 3 8 Cs 0.25000000000000 0.25000000000000 0.43231197748246 132.905 > 4 9 Cs 0.00000000000000 0.00000000000000 0.18231197748246 132.905 > 1 10 Cs 0.75000000000000 0.75000000000000 0.06768802251754 132.905 > 2 11 Cs 0.50000000000000 0.00000000000000 0.31768802251754 132.905 > 3 12 Cs 0.75000000000000 0.75000000000000 0.43231197748246 132.905 > 4 13 Cs 0.00000000000000 0.50000000000000 0.68231197748246 132.905 > 1 14 Cs 0.75000000000000 0.25000000000000 0.56768802251754 132.905 > 2 15 Cs 0.50000000000000 0.50000000000000 0.81768802251754 132.905 > 3 16 Cs 0.75000000000000 0.25000000000000 0.93231197748246 132.905 > 4 *17 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 > 5 18 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 19 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 > 5 20 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 6 21 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 > 5 22 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 6 23 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 > 5 24 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 6 *25 Au 0.50000000000000 0.00000000000000 0.93626730428945 196.967 > 7 26 Au 0.75000000000000 0.75000000000000 0.68626730428945 196.967 > 8 27 Au 0.75000000000000 0.75000000000000 0.81373269571055 196.967 > 9 28 Au 0.00000000000000 0.00000000000000 0.56373269571055 196.967 > 10 29 Au 0.50000000000000 0.50000000000000 0.43626730428945 196.967 > 7 30 Au 0.75000000000000 0.25000000000000 0.18626730428945 196.967 > 8 31 Au 0.75000000000000 0.25000000000000 0.31373269571055 196.967 > 9 32 Au 0.00000000000000 0.50000000000000 0.06373269571055 196.967 > 10 33 Au 0.00000000000000 0.00000000000000 0.43626730428945 196.967 > 7 34 Au 0.25000000000000 0.75000000000000 0.18626730428945 196.967 > 8 35 Au 0.25000000000000 0.75000000000000 0.31373269571055 196.967 > 9 36 Au 0.50000000000000 0.00000000000000 0.06373269571055 196.967 > 10 37 Au 0.00000000000000 0.50000000000000 0.93626730428945 196.967 > 7 38 Au 0.25000000000000 0.25000000000000 0.68626730428945 196.967 > 8 39 Au 0.25000000000000 0.25000000000000 0.81373269571055 196.967 > 9 40 Au 0.50000000000000 0.50000000000000 0.56373269571055 196.967 > 10 *41 S 0.71119082337171 0.60318994695065 0.93991937356595 32.065 > 11 42 S 0.03880917662829 0.85318994695065 0.68991937356595 32.065 > 12 43 S 0.78880917662829 0.60318994695065 0.56008062643405 32.065 > 13 44 S 0.46119082337171 0.64681005304935 0.68991937356595 32.065 > 14 45 S 0.46119082337171 0.85318994695065 0.81008062643405 32.065 > 15 46 S 0.03880917662829 0.64681005304935 0.81008062643405 32.065 > 16 47 S 0.71119082337171 0.89681005304935 0.56008062643405 32.065 > 17 48 S 0.78880917662829 0.89681005304935 0.93991937356595 32.065 > 18 49 S 0.71119082337171 0.10318994695065 0.43991937356595 32.065 > 11 50 S 0.03880917662829 0.35318994695065 0.18991937356595 32.065 > 12 51 S 0.78880917662829 0.10318994695065 0.06008062643405 32.065 > 13 52 S 0.46119082337171 0.14681005304935 0.18991937356595 32.065 > 14 53 S 0.46119082337171 0.35318994695065 0.31008062643405 32.065 > 15 54 S 0.03880917662829 0.14681005304935 0.31008062643405 32.065 > 16 55 S 0.71119082337171 0.39681005304935 0.06008062643405 32.065 > 17 56 S 0.78880917662829 0.39681005304935 0.43991937356595 32.065 > 18 57 S 0.21119082337170 0.60318994695065 0.43991937356595 32.065 > 11 58 S 0.53880917662829 0.85318994695065 0.18991937356595 32.065 > 12 59 S 0.28880917662829 0.60318994695065 0.06008062643405 32.065 > 13 60 S 0.96119082337171 0.64681005304935 0.18991937356595 32.065 > 14 61 S 0.96119082337171 0.85318994695065 0.31008062643405 32.065 > 15 62 S 0.53880917662829 0.64681005304935 0.31008062643405 32.065 > 16 63 S 0.21119082337170 0.89681005304935 0.06008062643405 32.065 > 17 64 S 0.28880917662829 0.89681005304935 0.43991937356595 32.065 > 18 65 S 0.21119082337170 0.10318994695065 0.93991937356595 32.065 > 11 66 S 0.53880917662829 0.35318994695065 0.68991937356595 32.065 > 12 67 S 0.28880917662829 0.10318994695065 0.56008062643405 32.065 > 13 68 S 0.96119082337171 0.14681005304935 0.68991937356595 32.065 > 14 69 S 0.96119082337171 0.35318994695065 0.81008062643405 32.065 > 15 70 S 0.53880917662829 0.14681005304935 0.81008062643405 32.065 > 16 71 S 0.21119082337170 0.39681005304935 0.56008062643405 32.065 > 17 72 S 0.28880917662829 0.39681005304935 0.93991937356595 32.065 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.247170140000003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.142532170000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.283673640000000 Atomic positions (fractional): *1 Cs 0.25000000000000 0.00000000000000 0.68231197748246 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.68231197748246 132.905 > 1 3 Cs 0.12500000000000 0.75000000000000 0.56768802251754 132.905 > 2 4 Cs 0.62500000000000 0.75000000000000 0.56768802251754 132.905 > 2 5 Cs 0.00000000000000 0.00000000000000 0.81768802251754 132.905 > 3 6 Cs 0.50000000000000 0.00000000000000 0.81768802251754 132.905 > 3 7 Cs 0.12500000000000 0.75000000000000 0.93231197748246 132.905 > 4 8 Cs 0.62500000000000 0.75000000000000 0.93231197748246 132.905 > 4 9 Cs 0.25000000000000 0.50000000000000 0.18231197748246 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.18231197748246 132.905 > 1 11 Cs 0.12500000000000 0.25000000000000 0.06768802251754 132.905 > 2 12 Cs 0.62500000000000 0.25000000000000 0.06768802251754 132.905 > 2 13 Cs 0.00000000000000 0.50000000000000 0.31768802251754 132.905 > 3 14 Cs 0.50000000000000 0.50000000000000 0.31768802251754 132.905 > 3 15 Cs 0.12500000000000 0.25000000000000 0.43231197748246 132.905 > 4 16 Cs 0.62500000000000 0.25000000000000 0.43231197748246 132.905 > 4 17 Cs 0.00000000000000 0.00000000000000 0.18231197748246 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.18231197748246 132.905 > 1 19 Cs 0.37500000000000 0.75000000000000 0.06768802251754 132.905 > 2 20 Cs 0.87500000000000 0.75000000000000 0.06768802251754 132.905 > 2 21 Cs 0.25000000000000 0.00000000000000 0.31768802251754 132.905 > 3 22 Cs 0.75000000000000 0.00000000000000 0.31768802251754 132.905 > 3 23 Cs 0.37500000000000 0.75000000000000 0.43231197748246 132.905 > 4 24 Cs 0.87500000000000 0.75000000000000 0.43231197748246 132.905 > 4 25 Cs 0.00000000000000 0.50000000000000 0.68231197748246 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.68231197748246 132.905 > 1 27 Cs 0.37500000000000 0.25000000000000 0.56768802251754 132.905 > 2 28 Cs 0.87500000000000 0.25000000000000 0.56768802251754 132.905 > 2 29 Cs 0.25000000000000 0.50000000000000 0.81768802251754 132.905 > 3 30 Cs 0.75000000000000 0.50000000000000 0.81768802251754 132.905 > 3 31 Cs 0.37500000000000 0.25000000000000 0.93231197748246 132.905 > 4 32 Cs 0.87500000000000 0.25000000000000 0.93231197748246 132.905 > 4 *33 Sn 0.12500000000000 0.75000000000000 0.75000000000000 118.710 > 5 34 Sn 0.62500000000000 0.75000000000000 0.75000000000000 118.710 > 5 35 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 36 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 6 37 Sn 0.12500000000000 0.25000000000000 0.25000000000000 118.710 > 5 38 Sn 0.62500000000000 0.25000000000000 0.25000000000000 118.710 > 5 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 6 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 6 41 Sn 0.37500000000000 0.75000000000000 0.25000000000000 118.710 > 5 42 Sn 0.87500000000000 0.75000000000000 0.25000000000000 118.710 > 5 43 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 6 44 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 6 45 Sn 0.37500000000000 0.25000000000000 0.75000000000000 118.710 > 5 46 Sn 0.87500000000000 0.25000000000000 0.75000000000000 118.710 > 5 47 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 6 48 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 6 *49 Au 0.25000000000000 0.00000000000000 0.93626730428945 196.967 > 7 50 Au 0.75000000000000 0.00000000000000 0.93626730428945 196.967 > 7 51 Au 0.37500000000000 0.75000000000000 0.68626730428945 196.967 > 8 52 Au 0.87500000000000 0.75000000000000 0.68626730428945 196.967 > 8 53 Au 0.37500000000000 0.75000000000000 0.81373269571055 196.967 > 9 54 Au 0.87500000000000 0.75000000000000 0.81373269571055 196.967 > 9 55 Au 0.00000000000000 0.00000000000000 0.56373269571055 196.967 > 10 56 Au 0.50000000000000 0.00000000000000 0.56373269571055 196.967 > 10 57 Au 0.25000000000000 0.50000000000000 0.43626730428945 196.967 > 7 58 Au 0.75000000000000 0.50000000000000 0.43626730428945 196.967 > 7 59 Au 0.37500000000000 0.25000000000000 0.18626730428945 196.967 > 8 60 Au 0.87500000000000 0.25000000000000 0.18626730428945 196.967 > 8 61 Au 0.37500000000000 0.25000000000000 0.31373269571055 196.967 > 9 62 Au 0.87500000000000 0.25000000000000 0.31373269571055 196.967 > 9 63 Au 0.00000000000000 0.50000000000000 0.06373269571055 196.967 > 10 64 Au 0.50000000000000 0.50000000000000 0.06373269571055 196.967 > 10 65 Au 0.00000000000000 0.00000000000000 0.43626730428945 196.967 > 7 66 Au 0.50000000000000 0.00000000000000 0.43626730428945 196.967 > 7 67 Au 0.12500000000000 0.75000000000000 0.18626730428945 196.967 > 8 68 Au 0.62500000000000 0.75000000000000 0.18626730428945 196.967 > 8 69 Au 0.12500000000000 0.75000000000000 0.31373269571055 196.967 > 9 70 Au 0.62500000000000 0.75000000000000 0.31373269571055 196.967 > 9 71 Au 0.25000000000000 0.00000000000000 0.06373269571055 196.967 > 10 72 Au 0.75000000000000 0.00000000000000 0.06373269571055 196.967 > 10 73 Au 0.00000000000000 0.50000000000000 0.93626730428945 196.967 > 7 74 Au 0.50000000000000 0.50000000000000 0.93626730428945 196.967 > 7 75 Au 0.12500000000000 0.25000000000000 0.68626730428945 196.967 > 8 76 Au 0.62500000000000 0.25000000000000 0.68626730428945 196.967 > 8 77 Au 0.12500000000000 0.25000000000000 0.81373269571055 196.967 > 9 78 Au 0.62500000000000 0.25000000000000 0.81373269571055 196.967 > 9 79 Au 0.25000000000000 0.50000000000000 0.56373269571055 196.967 > 10 80 Au 0.75000000000000 0.50000000000000 0.56373269571055 196.967 > 10 *81 S 0.35559541168585 0.60318994695065 0.93991937356595 32.065 > 11 82 S 0.85559541168585 0.60318994695065 0.93991937356595 32.065 > 11 83 S 0.01940458831415 0.85318994695065 0.68991937356595 32.065 > 12 84 S 0.51940458831415 0.85318994695065 0.68991937356595 32.065 > 12 85 S 0.39440458831415 0.60318994695065 0.56008062643405 32.065 > 13 86 S 0.89440458831415 0.60318994695065 0.56008062643405 32.065 > 13 87 S 0.23059541168585 0.64681005304935 0.68991937356595 32.065 > 14 88 S 0.73059541168585 0.64681005304935 0.68991937356595 32.065 > 14 89 S 0.23059541168585 0.85318994695065 0.81008062643405 32.065 > 15 90 S 0.73059541168585 0.85318994695065 0.81008062643405 32.065 > 15 91 S 0.01940458831415 0.64681005304935 0.81008062643405 32.065 > 16 92 S 0.51940458831415 0.64681005304935 0.81008062643405 32.065 > 16 93 S 0.35559541168585 0.89681005304935 0.56008062643405 32.065 > 17 94 S 0.85559541168585 0.89681005304935 0.56008062643405 32.065 > 17 95 S 0.39440458831415 0.89681005304935 0.93991937356595 32.065 > 18 96 S 0.89440458831415 0.89681005304935 0.93991937356595 32.065 > 18 97 S 0.35559541168585 0.10318994695065 0.43991937356595 32.065 > 11 98 S 0.85559541168585 0.10318994695065 0.43991937356595 32.065 > 11 99 S 0.01940458831415 0.35318994695065 0.18991937356595 32.065 > 12 100 S 0.51940458831415 0.35318994695065 0.18991937356595 32.065 > 12 101 S 0.39440458831415 0.10318994695065 0.06008062643405 32.065 > 13 102 S 0.89440458831415 0.10318994695065 0.06008062643405 32.065 > 13 103 S 0.23059541168585 0.14681005304935 0.18991937356595 32.065 > 14 104 S 0.73059541168585 0.14681005304935 0.18991937356595 32.065 > 14 105 S 0.23059541168585 0.35318994695065 0.31008062643405 32.065 > 15 106 S 0.73059541168585 0.35318994695065 0.31008062643405 32.065 > 15 107 S 0.01940458831415 0.14681005304935 0.31008062643405 32.065 > 16 108 S 0.51940458831415 0.14681005304935 0.31008062643405 32.065 > 16 109 S 0.35559541168585 0.39681005304935 0.06008062643405 32.065 > 17 110 S 0.85559541168585 0.39681005304935 0.06008062643405 32.065 > 17 111 S 0.39440458831415 0.39681005304935 0.43991937356595 32.065 > 18 112 S 0.89440458831415 0.39681005304935 0.43991937356595 32.065 > 18 113 S 0.10559541168585 0.60318994695065 0.43991937356595 32.065 > 11 114 S 0.60559541168585 0.60318994695065 0.43991937356595 32.065 > 11 115 S 0.26940458831415 0.85318994695065 0.18991937356595 32.065 > 12 116 S 0.76940458831415 0.85318994695065 0.18991937356595 32.065 > 12 117 S 0.14440458831415 0.60318994695065 0.06008062643405 32.065 > 13 118 S 0.64440458831415 0.60318994695065 0.06008062643405 32.065 > 13 119 S 0.48059541168585 0.64681005304935 0.18991937356595 32.065 > 14 120 S 0.98059541168585 0.64681005304935 0.18991937356595 32.065 > 14 121 S 0.48059541168585 0.85318994695065 0.31008062643405 32.065 > 15 122 S 0.98059541168585 0.85318994695065 0.31008062643405 32.065 > 15 123 S 0.26940458831415 0.64681005304935 0.31008062643405 32.065 > 16 124 S 0.76940458831415 0.64681005304935 0.31008062643405 32.065 > 16 125 S 0.10559541168585 0.89681005304935 0.06008062643405 32.065 > 17 126 S 0.60559541168585 0.89681005304935 0.06008062643405 32.065 > 17 127 S 0.14440458831415 0.89681005304935 0.43991937356595 32.065 > 18 128 S 0.64440458831415 0.89681005304935 0.43991937356595 32.065 > 18 129 S 0.10559541168585 0.10318994695065 0.93991937356595 32.065 > 11 130 S 0.60559541168585 0.10318994695065 0.93991937356595 32.065 > 11 131 S 0.26940458831415 0.35318994695065 0.68991937356595 32.065 > 12 132 S 0.76940458831415 0.35318994695065 0.68991937356595 32.065 > 12 133 S 0.14440458831415 0.10318994695065 0.56008062643405 32.065 > 13 134 S 0.64440458831415 0.10318994695065 0.56008062643405 32.065 > 13 135 S 0.48059541168585 0.14681005304935 0.68991937356595 32.065 > 14 136 S 0.98059541168585 0.14681005304935 0.68991937356595 32.065 > 14 137 S 0.48059541168585 0.35318994695065 0.81008062643405 32.065 > 15 138 S 0.98059541168585 0.35318994695065 0.81008062643405 32.065 > 15 139 S 0.26940458831415 0.14681005304935 0.81008062643405 32.065 > 16 140 S 0.76940458831415 0.14681005304935 0.81008062643405 32.065 > 16 141 S 0.10559541168585 0.39681005304935 0.56008062643405 32.065 > 17 142 S 0.60559541168585 0.39681005304935 0.56008062643405 32.065 > 17 143 S 0.14440458831415 0.39681005304935 0.93991937356595 32.065 > 18 144 S 0.64440458831415 0.39681005304935 0.93991937356595 32.065 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0395409 0.0000000 0.0000000 0.0000000 4.5351250 0.0000000 0.0000000 0.0000000 5.2260167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 2 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 3 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 4 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 5 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 6 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 7 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 8 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 9 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 10 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 11 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 12 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 13 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 14 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 15 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 16 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 17 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 18 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14418/14418 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 3.003 Solver_block: 200 / 320 - Time: 2.956 Solver_block: 300 / 320 - Time: 2.947 Solver_block: 320 / 320 - Time: 0.685 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.630 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14418/14418 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:25:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:25:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 7.071266085000000 12.141836820000000 b 3.061792535000001 0.000000000000000 12.141836820000000 c 3.061792535000001 7.071266085000000 0.000000000000000 Atomic positions (fractional): 1 Cs 0.18231197748246 0.18231197748246 0.81768802251754 132.905 2 Cs 0.06768802251754 0.06768802251754 0.43231197748246 132.905 3 Cs 0.81768802251754 0.81768802251754 0.18231197748246 132.905 4 Cs 0.43231197748246 0.43231197748246 0.06768802251754 132.905 5 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 7 Au 0.43626730428945 0.43626730428945 0.56373269571055 196.967 8 Au 0.68626730428945 0.68626730428945 0.81373269571055 196.967 9 Au 0.81373269571055 0.81373269571055 0.68626730428945 196.967 10 Au 0.56373269571055 0.56373269571055 0.43626730428945 196.967 11 S 0.83191849714490 0.04792024998701 0.37446139675640 32.065 12 S 0.50430014388831 0.87553860324360 0.20207975001299 32.065 13 S 0.37446139675640 0.74569985611169 0.83191849714490 32.065 14 S 0.87553860324360 0.50430014388831 0.41808150285510 32.065 15 S 0.20207975001299 0.41808150285510 0.50430014388831 32.065 16 S 0.41808150285510 0.20207975001299 0.87553860324360 32.065 17 S 0.74569985611169 0.37446139675640 0.04792024998701 32.065 18 S 0.04792024998701 0.83191849714490 0.74569985611169 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.247170140000003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.142532170000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.283673640000000 Atomic positions (fractional): 1 Cs 0.25000000000000 0.00000000000000 0.68231197748246 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.68231197748246 132.905 > 1 3 Cs 0.12500000000000 0.75000000000000 0.56768802251754 132.905 > 3 4 Cs 0.62500000000000 0.75000000000000 0.56768802251754 132.905 > 3 5 Cs 0.00000000000000 0.00000000000000 0.81768802251754 132.905 > 5 6 Cs 0.50000000000000 0.00000000000000 0.81768802251754 132.905 > 5 7 Cs 0.12500000000000 0.75000000000000 0.93231197748246 132.905 > 7 8 Cs 0.62500000000000 0.75000000000000 0.93231197748246 132.905 > 7 9 Cs 0.25000000000000 0.50000000000000 0.18231197748246 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.18231197748246 132.905 > 1 11 Cs 0.12500000000000 0.25000000000000 0.06768802251754 132.905 > 3 12 Cs 0.62500000000000 0.25000000000000 0.06768802251754 132.905 > 3 13 Cs 0.00000000000000 0.50000000000000 0.31768802251754 132.905 > 5 14 Cs 0.50000000000000 0.50000000000000 0.31768802251754 132.905 > 5 15 Cs 0.12500000000000 0.25000000000000 0.43231197748246 132.905 > 7 16 Cs 0.62500000000000 0.25000000000000 0.43231197748246 132.905 > 7 17 Cs 0.00000000000000 0.00000000000000 0.18231197748246 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.18231197748246 132.905 > 1 19 Cs 0.37500000000000 0.75000000000000 0.06768802251754 132.905 > 3 20 Cs 0.87500000000000 0.75000000000000 0.06768802251754 132.905 > 3 21 Cs 0.25000000000000 0.00000000000000 0.31768802251754 132.905 > 5 22 Cs 0.75000000000000 0.00000000000000 0.31768802251754 132.905 > 5 23 Cs 0.37500000000000 0.75000000000000 0.43231197748246 132.905 > 7 24 Cs 0.87500000000000 0.75000000000000 0.43231197748246 132.905 > 7 25 Cs 0.00000000000000 0.50000000000000 0.68231197748246 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.68231197748246 132.905 > 1 27 Cs 0.37500000000000 0.25000000000000 0.56768802251754 132.905 > 3 28 Cs 0.87500000000000 0.25000000000000 0.56768802251754 132.905 > 3 29 Cs 0.25000000000000 0.50000000000000 0.81768802251754 132.905 > 5 30 Cs 0.75000000000000 0.50000000000000 0.81768802251754 132.905 > 5 31 Cs 0.37500000000000 0.25000000000000 0.93231197748246 132.905 > 7 32 Cs 0.87500000000000 0.25000000000000 0.93231197748246 132.905 > 7 33 Sn 0.12500000000000 0.75000000000000 0.75000000000000 118.710 > 33 34 Sn 0.62500000000000 0.75000000000000 0.75000000000000 118.710 > 33 35 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 35 36 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 35 37 Sn 0.12500000000000 0.25000000000000 0.25000000000000 118.710 > 33 38 Sn 0.62500000000000 0.25000000000000 0.25000000000000 118.710 > 33 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 35 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 35 41 Sn 0.37500000000000 0.75000000000000 0.25000000000000 118.710 > 33 42 Sn 0.87500000000000 0.75000000000000 0.25000000000000 118.710 > 33 43 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 35 44 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 35 45 Sn 0.37500000000000 0.25000000000000 0.75000000000000 118.710 > 33 46 Sn 0.87500000000000 0.25000000000000 0.75000000000000 118.710 > 33 47 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 35 48 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 35 49 Au 0.25000000000000 0.00000000000000 0.93626730428945 196.967 > 49 50 Au 0.75000000000000 0.00000000000000 0.93626730428945 196.967 > 49 51 Au 0.37500000000000 0.75000000000000 0.68626730428945 196.967 > 51 52 Au 0.87500000000000 0.75000000000000 0.68626730428945 196.967 > 51 53 Au 0.37500000000000 0.75000000000000 0.81373269571055 196.967 > 53 54 Au 0.87500000000000 0.75000000000000 0.81373269571055 196.967 > 53 55 Au 0.00000000000000 0.00000000000000 0.56373269571055 196.967 > 55 56 Au 0.50000000000000 0.00000000000000 0.56373269571055 196.967 > 55 57 Au 0.25000000000000 0.50000000000000 0.43626730428945 196.967 > 49 58 Au 0.75000000000000 0.50000000000000 0.43626730428945 196.967 > 49 59 Au 0.37500000000000 0.25000000000000 0.18626730428945 196.967 > 51 60 Au 0.87500000000000 0.25000000000000 0.18626730428945 196.967 > 51 61 Au 0.37500000000000 0.25000000000000 0.31373269571055 196.967 > 53 62 Au 0.87500000000000 0.25000000000000 0.31373269571055 196.967 > 53 63 Au 0.00000000000000 0.50000000000000 0.06373269571055 196.967 > 55 64 Au 0.50000000000000 0.50000000000000 0.06373269571055 196.967 > 55 65 Au 0.00000000000000 0.00000000000000 0.43626730428945 196.967 > 49 66 Au 0.50000000000000 0.00000000000000 0.43626730428945 196.967 > 49 67 Au 0.12500000000000 0.75000000000000 0.18626730428945 196.967 > 51 68 Au 0.62500000000000 0.75000000000000 0.18626730428945 196.967 > 51 69 Au 0.12500000000000 0.75000000000000 0.31373269571055 196.967 > 53 70 Au 0.62500000000000 0.75000000000000 0.31373269571055 196.967 > 53 71 Au 0.25000000000000 0.00000000000000 0.06373269571055 196.967 > 55 72 Au 0.75000000000000 0.00000000000000 0.06373269571055 196.967 > 55 73 Au 0.00000000000000 0.50000000000000 0.93626730428945 196.967 > 49 74 Au 0.50000000000000 0.50000000000000 0.93626730428945 196.967 > 49 75 Au 0.12500000000000 0.25000000000000 0.68626730428945 196.967 > 51 76 Au 0.62500000000000 0.25000000000000 0.68626730428945 196.967 > 51 77 Au 0.12500000000000 0.25000000000000 0.81373269571055 196.967 > 53 78 Au 0.62500000000000 0.25000000000000 0.81373269571055 196.967 > 53 79 Au 0.25000000000000 0.50000000000000 0.56373269571055 196.967 > 55 80 Au 0.75000000000000 0.50000000000000 0.56373269571055 196.967 > 55 81 S 0.35559541168585 0.60318994695065 0.93991937356595 32.065 > 81 82 S 0.85559541168585 0.60318994695065 0.93991937356595 32.065 > 81 83 S 0.01940458831415 0.85318994695065 0.68991937356595 32.065 > 83 84 S 0.51940458831415 0.85318994695065 0.68991937356595 32.065 > 83 85 S 0.39440458831415 0.60318994695065 0.56008062643405 32.065 > 85 86 S 0.89440458831415 0.60318994695065 0.56008062643405 32.065 > 85 87 S 0.23059541168585 0.64681005304935 0.68991937356595 32.065 > 87 88 S 0.73059541168585 0.64681005304935 0.68991937356595 32.065 > 87 89 S 0.23059541168585 0.85318994695065 0.81008062643405 32.065 > 89 90 S 0.73059541168585 0.85318994695065 0.81008062643405 32.065 > 89 91 S 0.01940458831415 0.64681005304935 0.81008062643405 32.065 > 91 92 S 0.51940458831415 0.64681005304935 0.81008062643405 32.065 > 91 93 S 0.35559541168585 0.89681005304935 0.56008062643405 32.065 > 93 94 S 0.85559541168585 0.89681005304935 0.56008062643405 32.065 > 93 95 S 0.39440458831415 0.89681005304935 0.93991937356595 32.065 > 95 96 S 0.89440458831415 0.89681005304935 0.93991937356595 32.065 > 95 97 S 0.35559541168585 0.10318994695065 0.43991937356595 32.065 > 81 98 S 0.85559541168585 0.10318994695065 0.43991937356595 32.065 > 81 99 S 0.01940458831415 0.35318994695065 0.18991937356595 32.065 > 83 100 S 0.51940458831415 0.35318994695065 0.18991937356595 32.065 > 83 101 S 0.39440458831415 0.10318994695065 0.06008062643405 32.065 > 85 102 S 0.89440458831415 0.10318994695065 0.06008062643405 32.065 > 85 103 S 0.23059541168585 0.14681005304935 0.18991937356595 32.065 > 87 104 S 0.73059541168585 0.14681005304935 0.18991937356595 32.065 > 87 105 S 0.23059541168585 0.35318994695065 0.31008062643405 32.065 > 89 106 S 0.73059541168585 0.35318994695065 0.31008062643405 32.065 > 89 107 S 0.01940458831415 0.14681005304935 0.31008062643405 32.065 > 91 108 S 0.51940458831415 0.14681005304935 0.31008062643405 32.065 > 91 109 S 0.35559541168585 0.39681005304935 0.06008062643405 32.065 > 93 110 S 0.85559541168585 0.39681005304935 0.06008062643405 32.065 > 93 111 S 0.39440458831415 0.39681005304935 0.43991937356595 32.065 > 95 112 S 0.89440458831415 0.39681005304935 0.43991937356595 32.065 > 95 113 S 0.10559541168585 0.60318994695065 0.43991937356595 32.065 > 81 114 S 0.60559541168585 0.60318994695065 0.43991937356595 32.065 > 81 115 S 0.26940458831415 0.85318994695065 0.18991937356595 32.065 > 83 116 S 0.76940458831415 0.85318994695065 0.18991937356595 32.065 > 83 117 S 0.14440458831415 0.60318994695065 0.06008062643405 32.065 > 85 118 S 0.64440458831415 0.60318994695065 0.06008062643405 32.065 > 85 119 S 0.48059541168585 0.64681005304935 0.18991937356595 32.065 > 87 120 S 0.98059541168585 0.64681005304935 0.18991937356595 32.065 > 87 121 S 0.48059541168585 0.85318994695065 0.31008062643405 32.065 > 89 122 S 0.98059541168585 0.85318994695065 0.31008062643405 32.065 > 89 123 S 0.26940458831415 0.64681005304935 0.31008062643405 32.065 > 91 124 S 0.76940458831415 0.64681005304935 0.31008062643405 32.065 > 91 125 S 0.10559541168585 0.89681005304935 0.06008062643405 32.065 > 93 126 S 0.60559541168585 0.89681005304935 0.06008062643405 32.065 > 93 127 S 0.14440458831415 0.89681005304935 0.43991937356595 32.065 > 95 128 S 0.64440458831415 0.89681005304935 0.43991937356595 32.065 > 95 129 S 0.10559541168585 0.10318994695065 0.93991937356595 32.065 > 81 130 S 0.60559541168585 0.10318994695065 0.93991937356595 32.065 > 81 131 S 0.26940458831415 0.35318994695065 0.68991937356595 32.065 > 83 132 S 0.76940458831415 0.35318994695065 0.68991937356595 32.065 > 83 133 S 0.14440458831415 0.10318994695065 0.56008062643405 32.065 > 85 134 S 0.64440458831415 0.10318994695065 0.56008062643405 32.065 > 85 135 S 0.48059541168585 0.14681005304935 0.68991937356595 32.065 > 87 136 S 0.98059541168585 0.14681005304935 0.68991937356595 32.065 > 87 137 S 0.48059541168585 0.35318994695065 0.81008062643405 32.065 > 89 138 S 0.98059541168585 0.35318994695065 0.81008062643405 32.065 > 89 139 S 0.26940458831415 0.14681005304935 0.81008062643405 32.065 > 91 140 S 0.76940458831415 0.14681005304935 0.81008062643405 32.065 > 91 141 S 0.10559541168585 0.39681005304935 0.56008062643405 32.065 > 93 142 S 0.60559541168585 0.39681005304935 0.56008062643405 32.065 > 93 143 S 0.14440458831415 0.39681005304935 0.93991937356595 32.065 > 95 144 S 0.64440458831415 0.39681005304935 0.93991937356595 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0395409 0.0000000 0.0000000 0.0000000 4.5351250 0.0000000 0.0000000 0.0000000 5.2260167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 2 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 3 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 4 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 5 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 6 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 7 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 8 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 9 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 10 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 11 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 12 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 13 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 14 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 15 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 16 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 17 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 18 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 17:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:25:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 7.071266085000000 12.141836820000000 b 3.061792535000001 0.000000000000000 12.141836820000000 c 3.061792535000001 7.071266085000000 0.000000000000000 Atomic positions (fractional): 1 Cs 0.18231197748246 0.18231197748246 0.81768802251754 132.905 2 Cs 0.06768802251754 0.06768802251754 0.43231197748246 132.905 3 Cs 0.81768802251754 0.81768802251754 0.18231197748246 132.905 4 Cs 0.43231197748246 0.43231197748246 0.06768802251754 132.905 5 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 7 Au 0.43626730428945 0.43626730428945 0.56373269571055 196.967 8 Au 0.68626730428945 0.68626730428945 0.81373269571055 196.967 9 Au 0.81373269571055 0.81373269571055 0.68626730428945 196.967 10 Au 0.56373269571055 0.56373269571055 0.43626730428945 196.967 11 S 0.83191849714490 0.04792024998701 0.37446139675640 32.065 12 S 0.50430014388831 0.87553860324360 0.20207975001299 32.065 13 S 0.37446139675640 0.74569985611169 0.83191849714490 32.065 14 S 0.87553860324360 0.50430014388831 0.41808150285510 32.065 15 S 0.20207975001299 0.41808150285510 0.50430014388831 32.065 16 S 0.41808150285510 0.20207975001299 0.87553860324360 32.065 17 S 0.74569985611169 0.37446139675640 0.04792024998701 32.065 18 S 0.04792024998701 0.83191849714490 0.74569985611169 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.247170140000003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.142532170000001 0.000000000000000 c 0.000000000000000 0.000000000000000 24.283673640000000 Atomic positions (fractional): 1 Cs 0.25000000000000 0.00000000000000 0.68231197748246 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.68231197748246 132.905 > 1 3 Cs 0.12500000000000 0.75000000000000 0.56768802251754 132.905 > 3 4 Cs 0.62500000000000 0.75000000000000 0.56768802251754 132.905 > 3 5 Cs 0.00000000000000 0.00000000000000 0.81768802251754 132.905 > 5 6 Cs 0.50000000000000 0.00000000000000 0.81768802251754 132.905 > 5 7 Cs 0.12500000000000 0.75000000000000 0.93231197748246 132.905 > 7 8 Cs 0.62500000000000 0.75000000000000 0.93231197748246 132.905 > 7 9 Cs 0.25000000000000 0.50000000000000 0.18231197748246 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.18231197748246 132.905 > 1 11 Cs 0.12500000000000 0.25000000000000 0.06768802251754 132.905 > 3 12 Cs 0.62500000000000 0.25000000000000 0.06768802251754 132.905 > 3 13 Cs 0.00000000000000 0.50000000000000 0.31768802251754 132.905 > 5 14 Cs 0.50000000000000 0.50000000000000 0.31768802251754 132.905 > 5 15 Cs 0.12500000000000 0.25000000000000 0.43231197748246 132.905 > 7 16 Cs 0.62500000000000 0.25000000000000 0.43231197748246 132.905 > 7 17 Cs 0.00000000000000 0.00000000000000 0.18231197748246 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.18231197748246 132.905 > 1 19 Cs 0.37500000000000 0.75000000000000 0.06768802251754 132.905 > 3 20 Cs 0.87500000000000 0.75000000000000 0.06768802251754 132.905 > 3 21 Cs 0.25000000000000 0.00000000000000 0.31768802251754 132.905 > 5 22 Cs 0.75000000000000 0.00000000000000 0.31768802251754 132.905 > 5 23 Cs 0.37500000000000 0.75000000000000 0.43231197748246 132.905 > 7 24 Cs 0.87500000000000 0.75000000000000 0.43231197748246 132.905 > 7 25 Cs 0.00000000000000 0.50000000000000 0.68231197748246 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.68231197748246 132.905 > 1 27 Cs 0.37500000000000 0.25000000000000 0.56768802251754 132.905 > 3 28 Cs 0.87500000000000 0.25000000000000 0.56768802251754 132.905 > 3 29 Cs 0.25000000000000 0.50000000000000 0.81768802251754 132.905 > 5 30 Cs 0.75000000000000 0.50000000000000 0.81768802251754 132.905 > 5 31 Cs 0.37500000000000 0.25000000000000 0.93231197748246 132.905 > 7 32 Cs 0.87500000000000 0.25000000000000 0.93231197748246 132.905 > 7 33 Sn 0.12500000000000 0.75000000000000 0.75000000000000 118.710 > 33 34 Sn 0.62500000000000 0.75000000000000 0.75000000000000 118.710 > 33 35 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 35 36 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 35 37 Sn 0.12500000000000 0.25000000000000 0.25000000000000 118.710 > 33 38 Sn 0.62500000000000 0.25000000000000 0.25000000000000 118.710 > 33 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 35 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 35 41 Sn 0.37500000000000 0.75000000000000 0.25000000000000 118.710 > 33 42 Sn 0.87500000000000 0.75000000000000 0.25000000000000 118.710 > 33 43 Sn 0.25000000000000 0.00000000000000 0.50000000000000 118.710 > 35 44 Sn 0.75000000000000 0.00000000000000 0.50000000000000 118.710 > 35 45 Sn 0.37500000000000 0.25000000000000 0.75000000000000 118.710 > 33 46 Sn 0.87500000000000 0.25000000000000 0.75000000000000 118.710 > 33 47 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 35 48 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 35 49 Au 0.25000000000000 0.00000000000000 0.93626730428945 196.967 > 49 50 Au 0.75000000000000 0.00000000000000 0.93626730428945 196.967 > 49 51 Au 0.37500000000000 0.75000000000000 0.68626730428945 196.967 > 51 52 Au 0.87500000000000 0.75000000000000 0.68626730428945 196.967 > 51 53 Au 0.37500000000000 0.75000000000000 0.81373269571055 196.967 > 53 54 Au 0.87500000000000 0.75000000000000 0.81373269571055 196.967 > 53 55 Au 0.00000000000000 0.00000000000000 0.56373269571055 196.967 > 55 56 Au 0.50000000000000 0.00000000000000 0.56373269571055 196.967 > 55 57 Au 0.25000000000000 0.50000000000000 0.43626730428945 196.967 > 49 58 Au 0.75000000000000 0.50000000000000 0.43626730428945 196.967 > 49 59 Au 0.37500000000000 0.25000000000000 0.18626730428945 196.967 > 51 60 Au 0.87500000000000 0.25000000000000 0.18626730428945 196.967 > 51 61 Au 0.37500000000000 0.25000000000000 0.31373269571055 196.967 > 53 62 Au 0.87500000000000 0.25000000000000 0.31373269571055 196.967 > 53 63 Au 0.00000000000000 0.50000000000000 0.06373269571055 196.967 > 55 64 Au 0.50000000000000 0.50000000000000 0.06373269571055 196.967 > 55 65 Au 0.00000000000000 0.00000000000000 0.43626730428945 196.967 > 49 66 Au 0.50000000000000 0.00000000000000 0.43626730428945 196.967 > 49 67 Au 0.12500000000000 0.75000000000000 0.18626730428945 196.967 > 51 68 Au 0.62500000000000 0.75000000000000 0.18626730428945 196.967 > 51 69 Au 0.12500000000000 0.75000000000000 0.31373269571055 196.967 > 53 70 Au 0.62500000000000 0.75000000000000 0.31373269571055 196.967 > 53 71 Au 0.25000000000000 0.00000000000000 0.06373269571055 196.967 > 55 72 Au 0.75000000000000 0.00000000000000 0.06373269571055 196.967 > 55 73 Au 0.00000000000000 0.50000000000000 0.93626730428945 196.967 > 49 74 Au 0.50000000000000 0.50000000000000 0.93626730428945 196.967 > 49 75 Au 0.12500000000000 0.25000000000000 0.68626730428945 196.967 > 51 76 Au 0.62500000000000 0.25000000000000 0.68626730428945 196.967 > 51 77 Au 0.12500000000000 0.25000000000000 0.81373269571055 196.967 > 53 78 Au 0.62500000000000 0.25000000000000 0.81373269571055 196.967 > 53 79 Au 0.25000000000000 0.50000000000000 0.56373269571055 196.967 > 55 80 Au 0.75000000000000 0.50000000000000 0.56373269571055 196.967 > 55 81 S 0.35559541168585 0.60318994695065 0.93991937356595 32.065 > 81 82 S 0.85559541168585 0.60318994695065 0.93991937356595 32.065 > 81 83 S 0.01940458831415 0.85318994695065 0.68991937356595 32.065 > 83 84 S 0.51940458831415 0.85318994695065 0.68991937356595 32.065 > 83 85 S 0.39440458831415 0.60318994695065 0.56008062643405 32.065 > 85 86 S 0.89440458831415 0.60318994695065 0.56008062643405 32.065 > 85 87 S 0.23059541168585 0.64681005304935 0.68991937356595 32.065 > 87 88 S 0.73059541168585 0.64681005304935 0.68991937356595 32.065 > 87 89 S 0.23059541168585 0.85318994695065 0.81008062643405 32.065 > 89 90 S 0.73059541168585 0.85318994695065 0.81008062643405 32.065 > 89 91 S 0.01940458831415 0.64681005304935 0.81008062643405 32.065 > 91 92 S 0.51940458831415 0.64681005304935 0.81008062643405 32.065 > 91 93 S 0.35559541168585 0.89681005304935 0.56008062643405 32.065 > 93 94 S 0.85559541168585 0.89681005304935 0.56008062643405 32.065 > 93 95 S 0.39440458831415 0.89681005304935 0.93991937356595 32.065 > 95 96 S 0.89440458831415 0.89681005304935 0.93991937356595 32.065 > 95 97 S 0.35559541168585 0.10318994695065 0.43991937356595 32.065 > 81 98 S 0.85559541168585 0.10318994695065 0.43991937356595 32.065 > 81 99 S 0.01940458831415 0.35318994695065 0.18991937356595 32.065 > 83 100 S 0.51940458831415 0.35318994695065 0.18991937356595 32.065 > 83 101 S 0.39440458831415 0.10318994695065 0.06008062643405 32.065 > 85 102 S 0.89440458831415 0.10318994695065 0.06008062643405 32.065 > 85 103 S 0.23059541168585 0.14681005304935 0.18991937356595 32.065 > 87 104 S 0.73059541168585 0.14681005304935 0.18991937356595 32.065 > 87 105 S 0.23059541168585 0.35318994695065 0.31008062643405 32.065 > 89 106 S 0.73059541168585 0.35318994695065 0.31008062643405 32.065 > 89 107 S 0.01940458831415 0.14681005304935 0.31008062643405 32.065 > 91 108 S 0.51940458831415 0.14681005304935 0.31008062643405 32.065 > 91 109 S 0.35559541168585 0.39681005304935 0.06008062643405 32.065 > 93 110 S 0.85559541168585 0.39681005304935 0.06008062643405 32.065 > 93 111 S 0.39440458831415 0.39681005304935 0.43991937356595 32.065 > 95 112 S 0.89440458831415 0.39681005304935 0.43991937356595 32.065 > 95 113 S 0.10559541168585 0.60318994695065 0.43991937356595 32.065 > 81 114 S 0.60559541168585 0.60318994695065 0.43991937356595 32.065 > 81 115 S 0.26940458831415 0.85318994695065 0.18991937356595 32.065 > 83 116 S 0.76940458831415 0.85318994695065 0.18991937356595 32.065 > 83 117 S 0.14440458831415 0.60318994695065 0.06008062643405 32.065 > 85 118 S 0.64440458831415 0.60318994695065 0.06008062643405 32.065 > 85 119 S 0.48059541168585 0.64681005304935 0.18991937356595 32.065 > 87 120 S 0.98059541168585 0.64681005304935 0.18991937356595 32.065 > 87 121 S 0.48059541168585 0.85318994695065 0.31008062643405 32.065 > 89 122 S 0.98059541168585 0.85318994695065 0.31008062643405 32.065 > 89 123 S 0.26940458831415 0.64681005304935 0.31008062643405 32.065 > 91 124 S 0.76940458831415 0.64681005304935 0.31008062643405 32.065 > 91 125 S 0.10559541168585 0.89681005304935 0.06008062643405 32.065 > 93 126 S 0.60559541168585 0.89681005304935 0.06008062643405 32.065 > 93 127 S 0.14440458831415 0.89681005304935 0.43991937356595 32.065 > 95 128 S 0.64440458831415 0.89681005304935 0.43991937356595 32.065 > 95 129 S 0.10559541168585 0.10318994695065 0.93991937356595 32.065 > 81 130 S 0.60559541168585 0.10318994695065 0.93991937356595 32.065 > 81 131 S 0.26940458831415 0.35318994695065 0.68991937356595 32.065 > 83 132 S 0.76940458831415 0.35318994695065 0.68991937356595 32.065 > 83 133 S 0.14440458831415 0.10318994695065 0.56008062643405 32.065 > 85 134 S 0.64440458831415 0.10318994695065 0.56008062643405 32.065 > 85 135 S 0.48059541168585 0.14681005304935 0.68991937356595 32.065 > 87 136 S 0.98059541168585 0.14681005304935 0.68991937356595 32.065 > 87 137 S 0.48059541168585 0.35318994695065 0.81008062643405 32.065 > 89 138 S 0.98059541168585 0.35318994695065 0.81008062643405 32.065 > 89 139 S 0.26940458831415 0.14681005304935 0.81008062643405 32.065 > 91 140 S 0.76940458831415 0.14681005304935 0.81008062643405 32.065 > 91 141 S 0.10559541168585 0.39681005304935 0.56008062643405 32.065 > 93 142 S 0.60559541168585 0.39681005304935 0.56008062643405 32.065 > 93 143 S 0.14440458831415 0.39681005304935 0.93991937356595 32.065 > 95 144 S 0.64440458831415 0.39681005304935 0.93991937356595 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0395409 0.0000000 0.0000000 0.0000000 4.5351250 0.0000000 0.0000000 0.0000000 5.2260167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 2 Cs 1.4034655 -0.0162442 0.0000000 0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 3 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 4 Cs 1.4034655 0.0162442 0.0000000 -0.0105000 1.5086745 0.0000000 0.0000000 0.0000000 1.4028047 5 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 6 Sn 4.1575991 0.0000000 0.0000000 0.0000000 1.7473316 0.0000000 0.0000000 0.0000000 2.2910139 7 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 8 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 9 Au 0.2637015 -0.7315786 0.0000000 -0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 10 Au 0.2637015 0.7315786 0.0000000 0.5645901 0.0417403 0.0000000 0.0000000 0.0000000 -0.0566458 11 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 12 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 13 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 14 S -1.8729833 0.1610615 0.4580427 -0.0505480 -1.2120403 -0.1592440 0.1140733 -0.3594734 -1.2458329 15 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 16 S -1.8729833 -0.1610615 0.4580427 0.0505480 -1.2120403 0.1592440 0.1140733 0.3594734 -1.2458329 17 S -1.8729833 0.1610615 -0.4580427 -0.0505480 -1.2120403 0.1592440 -0.1140733 0.3594734 -1.2458329 18 S -1.8729833 -0.1610615 -0.4580427 0.0505480 -1.2120403 -0.1592440 -0.1140733 -0.3594734 -1.2458329 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.51, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.599 ( 0.000 0.000 0.000) 0.000 0.677 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.891 ( 0.000 0.000 -0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.041 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 -0.000) 0.000 1.659 ( 0.000 0.000 -0.000) 0.000 1.705 ( 0.000 0.000 -0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 -0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 -0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 -0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 -0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 -0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 -0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 -0.000) 0.000 9.657 ( 0.000 0.000 -0.000) 0.000 9.737 ( 0.000 0.000 -0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 -0.000) 0.000 10.130 ( 0.000 0.000 -0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 -0.000) 0.000 10.234 ( 0.000 0.000 -0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( -10.423 3.728 4.563) 11.973 0.281 ( -15.246 -1.414 0.757) 15.330 0.497 ( -20.136 7.895 0.710) 21.640 0.665 ( -6.698 -0.760 -1.045) 6.822 0.800 ( -9.005 3.960 -2.932) 10.264 0.843 ( 0.998 0.089 1.426) 1.743 0.935 ( -6.237 -0.520 0.880) 6.320 0.993 ( -0.669 -0.438 0.546) 0.968 1.112 ( -4.255 2.623 -0.346) 5.010 1.179 ( 1.800 0.015 -0.362) 1.836 1.288 ( -2.849 1.235 0.398) 3.130 1.427 ( 0.964 -2.549 -0.718) 2.818 1.530 ( 0.088 -0.317 -2.291) 2.314 1.596 ( -0.792 -0.231 2.993) 3.104 1.660 ( -0.532 -0.358 -1.438) 1.574 1.699 ( 1.631 -0.663 0.147) 1.767 1.711 ( 2.934 -1.452 -0.240) 3.282 1.740 ( 0.822 1.225 0.048) 1.476 1.742 ( 4.267 4.145 0.186) 5.952 1.817 ( -0.553 0.721 0.092) 0.914 1.922 ( -1.268 -0.194 -0.418) 1.349 1.941 ( 0.686 -0.398 -0.641) 1.020 2.019 ( 3.072 -0.104 -0.091) 3.075 2.025 ( 3.548 0.322 0.486) 3.596 2.364 ( 8.973 -0.059 1.009) 9.030 2.396 ( 4.606 0.132 0.123) 4.610 2.555 ( -0.053 -0.077 -0.178) 0.201 2.562 ( 5.837 0.034 -0.102) 5.838 3.083 ( 7.085 -0.036 -0.147) 7.087 3.127 ( 7.434 -1.827 -1.502) 7.801 3.479 ( -4.499 0.275 0.124) 4.509 3.586 ( -4.970 -3.272 -0.648) 5.986 3.651 ( -2.432 3.060 -2.347) 4.560 3.685 ( -1.248 0.254 -0.385) 1.330 4.507 ( -0.295 -0.470 0.071) 0.559 4.596 ( 0.797 -0.801 -0.524) 1.246 4.721 ( 2.123 -0.487 4.981) 5.436 4.906 ( 1.426 -0.731 0.062) 1.604 8.707 ( -1.903 0.109 0.264) 1.924 8.826 ( -0.414 -0.351 -0.544) 0.769 9.305 ( -2.411 -0.747 -1.828) 3.116 9.402 ( -4.645 -10.793 -1.339) 11.826 9.551 ( -0.640 2.442 -10.145) 10.455 9.602 ( 0.932 0.264 -0.405) 1.050 9.677 ( -2.244 -0.205 -0.007) 2.253 9.712 ( -2.213 -0.808 3.743) 4.423 9.751 ( 1.265 -0.159 5.614) 5.757 10.056 ( 4.862 0.076 -0.813) 4.930 10.106 ( 1.556 -0.055 0.324) 1.590 10.134 ( -1.563 -0.363 -0.049) 1.606 10.197 ( -2.135 -0.235 -0.049) 2.149 10.222 ( -2.478 -5.180 -0.110) 5.744 10.266 ( 1.971 1.102 -0.298) 2.278 10.410 ( 0.708 2.948 -3.586) 4.696 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -11.327 3.231 2.685) 12.081 0.520 ( -10.420 0.380 0.714) 10.451 0.764 ( -8.499 -0.291 -2.538) 8.875 0.787 ( -7.541 -2.914 -2.476) 8.456 0.910 ( -9.620 2.316 3.760) 10.585 0.994 ( -1.890 0.991 1.022) 2.366 1.048 ( -7.442 0.425 0.252) 7.458 1.079 ( -8.569 -1.733 0.637) 8.766 1.137 ( 0.858 0.435 -0.339) 1.020 1.223 ( -4.959 3.185 0.390) 5.907 1.368 ( -3.640 0.343 -1.009) 3.792 1.412 ( -1.946 0.663 2.153) 2.976 1.523 ( -0.309 0.026 -1.621) 1.650 1.600 ( 2.224 -2.075 -0.146) 3.045 1.617 ( 2.147 -1.275 -0.394) 2.528 1.622 ( 4.174 -2.998 0.415) 5.156 1.672 ( -0.350 0.496 -1.612) 1.723 1.703 ( 4.769 4.458 0.300) 6.535 1.735 ( 1.012 -0.271 0.458) 1.143 1.839 ( -0.180 2.419 -1.723) 2.975 1.887 ( 3.596 -1.584 -0.764) 4.003 1.907 ( 3.224 -2.028 0.386) 3.828 1.950 ( 4.873 1.896 -0.076) 5.230 1.957 ( 3.611 0.772 0.129) 3.694 2.206 ( 8.019 -0.307 1.355) 8.139 2.284 ( 6.812 -0.545 -0.026) 6.834 2.440 ( 6.999 0.895 0.975) 7.123 2.523 ( 3.484 0.219 -0.259) 3.500 2.897 ( 12.703 -0.050 -0.048) 12.704 2.915 ( 13.802 -0.225 -0.414) 13.810 3.614 ( -9.686 0.579 0.482) 9.715 3.659 ( -4.184 -0.047 0.201) 4.189 3.719 ( -2.417 0.425 -0.494) 2.503 3.752 ( -8.688 -0.034 -1.958) 8.906 4.496 ( 1.402 -0.622 0.234) 1.552 4.553 ( 2.901 -1.103 -0.538) 3.150 4.691 ( 2.660 -0.377 2.875) 3.935 4.854 ( 3.300 -1.294 -0.287) 3.556 8.759 ( -3.442 0.188 0.398) 3.470 8.832 ( -0.816 -0.266 -0.482) 0.984 9.329 ( -2.322 -2.214 -2.770) 4.239 9.402 ( -2.266 -4.892 1.503) 5.597 9.530 ( 0.870 1.136 -2.909) 3.242 9.599 ( 0.199 2.467 -1.079) 2.700 9.730 ( -3.371 -0.146 0.414) 3.400 9.742 ( 0.796 0.202 3.474) 3.570 9.784 ( -3.937 0.068 -0.082) 3.938 9.957 ( 4.878 -0.383 -1.151) 5.026 10.090 ( 0.427 0.231 0.499) 0.696 10.158 ( -1.405 -0.922 -0.772) 1.849 10.208 ( 2.067 -0.723 0.086) 2.191 10.215 ( -0.023 -1.508 0.256) 1.530 10.246 ( -0.466 0.874 -0.009) 0.991 10.390 ( 1.751 0.445 -1.321) 2.238 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -5.066 0.727 0.305) 5.127 0.688 ( -9.110 1.019 -0.202) 9.169 0.878 ( -3.224 -2.131 -1.781) 4.255 0.908 ( -8.676 -1.341 -1.051) 8.841 1.013 ( -0.056 -0.793 1.019) 1.292 1.059 ( -3.266 0.090 1.510) 3.600 1.117 ( -8.118 -0.880 3.497) 8.883 1.198 ( -6.741 -3.386 0.668) 7.573 1.259 ( -7.651 0.323 0.650) 7.686 1.294 ( -3.265 -1.473 0.571) 3.627 1.384 ( 0.970 -3.636 -0.420) 3.786 1.436 ( 2.824 -2.364 1.656) 4.038 1.514 ( 1.283 -0.021 -0.946) 1.594 1.562 ( -0.624 -0.367 -1.276) 1.467 1.580 ( 1.082 -0.185 -0.042) 1.098 1.585 ( 0.323 0.355 -0.173) 0.510 1.625 ( 5.359 4.594 0.955) 7.123 1.678 ( 0.521 1.972 -1.940) 2.814 1.706 ( 2.130 1.755 -0.300) 2.776 1.759 ( 6.484 -0.926 -0.315) 6.557 1.795 ( 6.615 0.221 -0.671) 6.653 1.844 ( 4.754 1.426 -0.301) 4.973 1.900 ( 0.425 2.612 -0.851) 2.780 1.915 ( 0.878 0.899 -0.360) 1.307 2.108 ( 2.914 -1.194 1.092) 3.333 2.168 ( 5.357 -0.611 0.347) 5.403 2.360 ( 3.223 1.688 1.952) 4.129 2.451 ( 4.048 0.744 -0.273) 4.125 2.648 ( 14.324 0.091 0.048) 14.324 2.651 ( 13.521 -0.127 0.098) 13.522 3.737 ( -4.077 0.346 0.267) 4.100 3.769 ( -2.903 0.334 -0.153) 2.926 3.826 ( -11.828 0.927 0.738) 11.888 3.934 ( -11.836 -0.295 -1.706) 11.962 4.438 ( 4.785 -0.569 0.325) 4.829 4.467 ( 5.575 -0.810 -0.026) 5.634 4.649 ( 2.799 -0.185 2.008) 3.450 4.768 ( 4.427 -1.377 -0.702) 4.689 8.823 ( -2.770 -0.357 -0.622) 2.861 8.853 ( -1.719 0.627 0.950) 2.062 9.329 ( -0.963 -2.208 -2.144) 3.224 9.416 ( -1.430 -2.592 2.031) 3.590 9.516 ( 0.604 1.248 -1.849) 2.311 9.622 ( -0.667 2.823 0.143) 2.904 9.740 ( 0.700 0.147 1.400) 1.572 9.786 ( -1.537 -0.343 0.428) 1.632 9.864 ( -4.226 -0.134 -0.726) 4.290 9.889 ( 0.027 0.150 -0.319) 0.353 10.095 ( -0.117 0.411 0.187) 0.467 10.132 ( 4.369 0.782 -0.724) 4.497 10.154 ( 1.605 -1.999 0.715) 2.662 10.215 ( -0.032 0.576 0.180) 0.604 10.268 ( -1.152 -0.091 0.131) 1.163 10.345 ( 1.965 -1.336 -0.875) 2.532 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.903 -1.276 0.773) 1.744 0.740 ( 1.328 -1.968 -1.869) 3.022 0.922 ( -4.093 0.997 -0.677) 4.267 0.979 ( 0.038 0.720 -0.313) 0.786 1.047 ( -3.933 -2.164 0.852) 4.569 1.174 ( -4.851 0.134 1.611) 5.113 1.214 ( -1.403 -2.217 2.974) 3.966 1.270 ( -0.651 0.263 0.947) 1.179 1.324 ( -4.840 -3.561 0.329) 6.018 1.348 ( -2.631 -0.061 -1.471) 3.015 1.400 ( -3.504 -0.152 0.721) 3.581 1.432 ( -1.270 -0.390 0.493) 1.417 1.454 ( 1.934 -1.270 -2.039) 3.084 1.488 ( 2.410 -0.464 -1.163) 2.716 1.517 ( 4.758 1.688 0.087) 5.049 1.560 ( 3.843 1.338 0.343) 4.083 1.631 ( 0.717 0.962 1.131) 1.648 1.641 ( 3.099 1.121 0.453) 3.326 1.662 ( 1.729 -0.465 0.302) 1.816 1.682 ( 2.880 0.250 -2.581) 3.875 1.740 ( -0.343 0.737 -0.766) 1.117 1.770 ( 3.193 0.405 0.695) 3.293 1.927 ( -3.077 1.070 0.155) 3.262 1.975 ( -4.107 1.953 -1.248) 4.716 2.055 ( 2.079 -1.819 0.024) 2.763 2.084 ( 4.412 0.424 1.085) 4.563 2.355 ( -0.062 0.824 0.956) 1.264 2.401 ( 1.771 0.651 -0.215) 1.899 2.439 ( 7.199 -0.037 0.254) 7.204 2.452 ( 6.809 -0.248 -0.030) 6.814 3.801 ( -2.264 -0.003 -0.125) 2.267 3.812 ( -1.180 0.318 0.228) 1.243 4.036 ( -8.572 0.724 0.607) 8.624 4.139 ( -11.062 -0.200 -1.506) 11.165 4.320 ( 7.694 -0.151 0.760) 7.733 4.345 ( 6.536 -0.539 0.087) 6.558 4.616 ( 1.174 0.031 0.918) 1.490 4.687 ( 2.467 -0.698 -0.534) 2.619 8.844 ( -0.631 -0.189 -0.377) 0.759 8.899 ( -1.398 0.413 0.640) 1.592 9.317 ( -0.034 -0.859 -0.813) 1.183 9.429 ( -0.686 -1.047 1.050) 1.634 9.508 ( 0.362 0.748 -0.927) 1.245 9.667 ( -1.491 2.359 1.132) 3.012 9.724 ( 1.006 -1.367 -1.129) 2.039 9.769 ( 1.281 -0.197 0.483) 1.383 9.933 ( -4.947 0.340 -0.030) 4.958 9.969 ( -5.015 0.365 0.218) 5.033 10.035 ( 5.297 -0.260 -0.362) 5.315 10.066 ( 3.969 0.071 -0.593) 4.014 10.142 ( -0.324 -0.020 1.511) 1.546 10.213 ( 0.370 0.217 -0.585) 0.725 10.285 ( -0.667 0.162 0.147) 0.702 10.304 ( 0.844 -1.286 -0.427) 1.596 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.059 ( 0.000 -0.000 6.489) 6.489 0.085 ( 0.000 -0.000 9.180) 9.180 0.167 ( 0.000 -0.000 18.090) 18.090 0.581 ( -0.000 0.000 -3.577) 3.577 0.662 ( -0.000 0.000 -3.102) 3.102 0.862 ( 0.000 -0.000 2.476) 2.476 0.882 ( -0.000 0.000 -1.921) 1.921 0.992 ( 0.000 -0.000 0.895) 0.895 1.042 ( 0.000 -0.000 0.090) 0.090 1.189 ( -0.000 0.000 -1.420) 1.420 1.261 ( 0.000 -0.000 0.890) 0.890 1.393 ( -0.000 0.000 -0.840) 0.840 1.562 ( -0.000 0.000 -1.416) 1.416 1.647 ( -0.000 0.000 -2.496) 2.496 1.706 ( 0.000 -0.000 0.194) 0.194 1.712 ( 0.000 -0.000 1.958) 1.958 1.713 ( 0.000 -0.000 0.278) 0.278 1.735 ( 0.000 -0.000 0.174) 0.174 1.745 ( -0.000 0.000 -0.196) 0.196 1.812 ( 0.000 -0.000 0.766) 0.766 1.900 ( -0.000 0.000 -0.263) 0.263 1.942 ( -0.000 0.000 -1.345) 1.345 2.045 ( 0.000 -0.000 0.040) 0.040 2.056 ( -0.000 0.000 -0.115) 0.115 2.439 ( 0.000 -0.000 0.388) 0.388 2.516 ( -0.000 0.000 -0.662) 0.662 2.531 ( 0.000 -0.000 0.124) 0.124 2.619 ( -0.000 0.000 -1.053) 1.053 3.091 ( 0.000 -0.000 0.286) 0.286 3.145 ( -0.000 0.000 -0.453) 0.453 3.441 ( 0.000 -0.000 0.167) 0.167 3.490 ( -0.000 0.000 -0.503) 0.503 3.588 ( 0.000 -0.000 0.242) 0.242 3.669 ( -0.000 0.000 -0.897) 0.897 4.505 ( 0.000 -0.000 0.223) 0.223 4.600 ( -0.000 0.000 -1.197) 1.197 4.922 ( 0.000 -0.000 0.317) 0.317 4.956 ( -0.000 0.000 -0.227) 0.227 8.691 ( 0.000 -0.000 0.545) 0.545 8.819 ( -0.000 0.000 -1.261) 1.261 9.051 ( 0.000 -0.000 1.026) 1.026 9.273 ( -0.000 0.000 -2.894) 2.894 9.462 ( 0.000 -0.000 2.248) 2.248 9.615 ( -0.000 0.000 -0.722) 0.722 9.658 ( 0.000 -0.000 0.286) 0.286 9.701 ( -0.000 0.000 -0.243) 0.243 9.997 ( 0.000 -0.000 0.359) 0.359 10.104 ( -0.000 0.000 -1.443) 1.443 10.120 ( 0.000 -0.000 0.189) 0.189 10.132 ( 0.000 -0.000 0.384) 0.384 10.147 ( 0.000 -0.000 0.108) 0.108 10.168 ( -0.000 0.000 -0.208) 0.208 10.235 ( 0.000 -0.000 0.359) 0.359 10.279 ( -0.000 0.000 -0.281) 0.281 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -7.819 2.461 9.037) 12.200 0.295 ( -14.221 -0.838 2.191) 14.413 0.508 ( -16.656 7.197 1.594) 18.214 0.650 ( -8.784 -1.319 -1.808) 9.065 0.763 ( -7.216 4.429 -4.616) 9.643 0.853 ( -2.504 0.440 0.442) 2.580 0.950 ( -6.201 -0.366 2.105) 6.559 1.004 ( -0.695 -0.258 1.729) 1.881 1.105 ( -4.544 2.401 -1.030) 5.241 1.171 ( 1.556 0.005 -1.419) 2.106 1.295 ( -2.731 1.055 1.195) 3.162 1.416 ( -0.628 -1.226 -1.735) 2.215 1.509 ( 0.344 -1.586 -1.737) 2.377 1.629 ( 1.640 -0.265 3.495) 3.870 1.637 ( -0.637 -0.778 -3.489) 3.631 1.702 ( 1.723 -0.404 0.562) 1.857 1.706 ( 3.074 -0.991 -0.640) 3.293 1.739 ( 3.271 4.802 0.004) 5.810 1.747 ( 0.581 -0.138 0.641) 0.876 1.817 ( 0.084 0.669 -0.101) 0.682 1.917 ( -1.181 -0.213 -0.739) 1.409 1.931 ( 0.508 -0.307 -1.494) 1.608 2.019 ( 2.782 -0.414 0.113) 2.815 2.030 ( 3.419 0.442 0.458) 3.477 2.378 ( 9.115 -0.234 1.751) 9.285 2.398 ( 4.775 0.096 0.320) 4.787 2.552 ( 1.335 -0.395 -0.568) 1.504 2.561 ( 4.122 0.446 -0.251) 4.153 3.081 ( 6.905 -0.094 -0.431) 6.919 3.106 ( 5.827 -0.857 -2.588) 6.434 3.481 ( -4.583 0.296 0.392) 4.609 3.571 ( -6.608 -2.426 -2.547) 7.486 3.627 ( -2.479 3.138 -1.740) 4.361 3.678 ( -1.352 0.288 -1.094) 1.763 4.509 ( -0.318 -0.526 0.356) 0.710 4.587 ( 0.642 -0.744 -1.415) 1.723 4.786 ( 5.713 -1.752 7.632) 9.693 4.906 ( 1.605 -0.764 0.116) 1.782 8.711 ( -1.883 0.111 0.803) 2.050 8.816 ( -0.589 -0.294 -1.512) 1.649 9.276 ( -4.052 -2.933 -4.350) 6.629 9.354 ( -9.709 -4.145 -8.415) 13.500 9.490 ( -0.748 3.173 -1.164) 3.462 9.596 ( 1.176 0.179 -0.932) 1.511 9.680 ( -2.265 -0.358 0.484) 2.344 9.721 ( -2.465 -0.411 -0.096) 2.500 9.824 ( 5.115 -1.908 7.592) 9.351 10.043 ( 4.754 0.063 -1.989) 5.153 10.111 ( 1.494 -0.155 0.572) 1.607 10.133 ( -1.275 -0.306 -0.134) 1.318 10.197 ( -2.329 -0.449 -0.111) 2.375 10.219 ( -2.604 -4.779 -0.458) 5.462 10.261 ( 1.706 1.214 -0.670) 2.199 10.365 ( -2.269 4.771 -4.931) 7.226 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -9.464 1.809 3.863) 10.381 0.529 ( -10.149 0.607 1.361) 10.258 0.734 ( -9.439 1.343 -3.530) 10.167 0.765 ( -6.569 -2.842 -2.404) 7.550 0.945 ( -11.535 0.845 3.425) 12.062 1.006 ( -2.070 -0.349 1.653) 2.672 1.054 ( -7.234 1.445 1.108) 7.460 1.086 ( -7.529 -1.661 0.944) 7.767 1.132 ( 0.057 0.779 -0.723) 1.065 1.226 ( -5.593 3.474 0.323) 6.592 1.362 ( -3.025 -1.002 -0.069) 3.187 1.434 ( -3.035 1.789 2.448) 4.290 1.503 ( -0.983 -1.045 -2.505) 2.887 1.596 ( 2.590 -2.698 -0.899) 3.846 1.612 ( 2.012 -0.738 -0.608) 2.227 1.626 ( 3.652 -2.070 0.317) 4.210 1.656 ( 0.585 0.261 -1.285) 1.435 1.707 ( 4.416 3.962 0.541) 5.957 1.739 ( 1.718 0.188 0.229) 1.744 1.816 ( 1.243 2.639 -3.187) 4.321 1.882 ( 2.660 -1.253 -0.403) 2.968 1.910 ( 2.634 -1.702 0.155) 3.140 1.950 ( 5.207 1.882 0.056) 5.537 1.958 ( 4.166 0.692 0.069) 4.224 2.222 ( 7.972 -0.705 1.956) 8.239 2.283 ( 6.811 -0.560 -0.105) 6.834 2.452 ( 6.129 0.818 1.569) 6.379 2.519 ( 3.564 0.431 -0.526) 3.628 2.896 ( 12.588 -0.061 -0.101) 12.588 2.910 ( 13.356 -0.067 -0.564) 13.368 3.621 ( -9.856 0.533 0.962) 9.917 3.661 ( -4.473 -0.151 0.369) 4.491 3.713 ( -2.627 0.465 -0.867) 2.806 3.729 ( -8.959 0.339 -2.872) 9.414 4.500 ( 1.380 -0.661 0.504) 1.611 4.546 ( 2.577 -0.990 -0.949) 2.920 4.725 ( 3.616 -0.941 4.181) 5.607 4.850 ( 3.526 -1.313 -0.666) 3.821 8.764 ( -3.236 0.057 0.721) 3.316 8.825 ( -1.281 -0.041 -0.835) 1.529 9.302 ( -3.111 -3.123 -2.860) 5.254 9.407 ( -2.743 -2.124 -0.723) 3.544 9.506 ( 0.087 0.983 -1.595) 1.876 9.590 ( -0.323 1.887 -0.959) 2.141 9.734 ( -3.541 -0.283 0.640) 3.609 9.772 ( -1.064 -0.502 1.419) 1.843 9.789 ( -0.512 0.557 2.449) 2.563 9.942 ( 4.638 -0.308 -2.086) 5.095 10.096 ( 0.423 0.203 0.834) 0.957 10.149 ( -0.789 -0.452 -1.200) 1.506 10.209 ( 1.546 -1.809 0.194) 2.388 10.218 ( -0.246 -0.987 0.262) 1.050 10.246 ( -0.784 0.656 -0.003) 1.022 10.375 ( 1.304 1.191 -1.806) 2.525 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -5.806 0.151 0.281) 5.815 0.686 ( -7.009 -0.332 -0.267) 7.022 0.863 ( -4.403 -1.346 -1.541) 4.855 0.899 ( -8.744 -0.388 -0.854) 8.794 1.023 ( -0.234 -1.521 1.018) 1.845 1.072 ( -3.716 -1.082 1.272) 4.074 1.150 ( -8.453 -0.484 3.626) 9.211 1.205 ( -6.776 -2.716 0.592) 7.324 1.266 ( -7.531 -0.361 0.705) 7.573 1.303 ( -2.301 -1.372 1.368) 3.008 1.385 ( -0.277 -4.053 0.750) 4.131 1.445 ( 3.155 -2.307 0.043) 3.909 1.512 ( 1.621 0.086 0.697) 1.767 1.546 ( 1.399 -1.351 -2.115) 2.873 1.574 ( -0.581 -0.104 -0.841) 1.027 1.589 ( 1.017 0.890 0.502) 1.441 1.634 ( 3.611 4.172 0.753) 5.569 1.660 ( 1.224 2.120 -1.713) 2.988 1.696 ( 2.434 0.391 -1.839) 3.075 1.755 ( 5.741 1.362 -0.435) 5.917 1.789 ( 6.652 -0.086 -0.371) 6.663 1.841 ( 3.547 1.728 -0.191) 3.950 1.894 ( 1.563 2.490 -0.415) 2.969 1.910 ( 1.112 0.972 -0.619) 1.602 2.118 ( 3.320 -1.749 1.115) 3.915 2.171 ( 4.876 -0.599 0.373) 4.927 2.381 ( 3.448 1.487 2.439) 4.478 2.447 ( 4.016 0.872 -0.611) 4.155 2.649 ( 13.970 -0.011 0.063) 13.970 2.652 ( 13.632 -0.105 0.107) 13.633 3.740 ( -3.965 0.171 0.385) 3.988 3.767 ( -3.099 0.402 -0.278) 3.137 3.835 ( -11.996 0.514 1.220) 12.069 3.916 ( -12.137 -0.170 -2.241) 12.344 4.442 ( 4.797 -0.724 0.391) 4.867 4.467 ( 5.247 -0.647 -0.053) 5.287 4.670 ( 3.324 -0.681 2.574) 4.259 4.760 ( 4.430 -1.302 -1.155) 4.759 8.817 ( -2.380 -0.709 -0.478) 2.529 8.861 ( -2.214 0.989 0.870) 2.576 9.311 ( -1.590 -2.611 -1.611) 3.455 9.429 ( -0.778 -0.492 0.628) 1.114 9.502 ( -0.094 0.004 -0.848) 0.853 9.622 ( -1.492 2.347 -0.120) 2.784 9.754 ( 1.767 -0.311 1.561) 2.378 9.791 ( -1.034 -0.162 0.550) 1.182 9.857 ( -3.416 -0.232 -0.855) 3.529 9.885 ( -1.603 0.614 -0.489) 1.785 10.098 ( 0.653 0.387 0.263) 0.803 10.125 ( 3.838 0.784 -0.797) 3.998 10.161 ( 0.673 -2.050 0.841) 2.316 10.216 ( 0.495 0.390 0.138) 0.645 10.270 ( -1.241 -0.300 0.200) 1.293 10.336 ( 1.898 -0.938 -1.067) 2.371 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.824 -2.166 -0.132) 2.321 0.726 ( -0.434 -2.652 -0.960) 2.853 0.923 ( -4.005 1.328 0.714) 4.280 0.977 ( 0.047 1.824 -0.193) 1.835 1.049 ( -3.087 -2.737 -0.298) 4.136 1.182 ( -4.597 -0.876 0.267) 4.687 1.244 ( 0.607 -1.276 3.111) 3.417 1.272 ( 0.197 -1.036 -0.384) 1.123 1.326 ( -6.603 -4.187 0.227) 7.822 1.346 ( -2.810 -0.711 0.975) 3.059 1.411 ( -2.261 0.337 1.677) 2.835 1.434 ( -0.059 -0.350 -0.171) 0.394 1.438 ( 1.537 -1.324 -1.294) 2.406 1.477 ( 0.429 -0.734 -1.179) 1.454 1.516 ( 5.319 2.153 -0.127) 5.739 1.564 ( 3.112 1.347 0.449) 3.421 1.628 ( 2.893 0.248 -2.406) 3.770 1.640 ( 2.399 0.810 -0.342) 2.555 1.660 ( -0.293 0.761 0.416) 0.915 1.677 ( 2.439 0.024 0.803) 2.568 1.732 ( -0.711 0.594 -0.822) 1.238 1.775 ( 3.790 0.036 0.391) 3.811 1.930 ( -3.256 1.042 0.330) 3.435 1.963 ( -4.311 2.376 -1.237) 5.075 2.056 ( 2.170 -2.219 0.113) 3.106 2.093 ( 4.368 0.063 0.802) 4.442 2.364 ( 0.831 0.736 1.007) 1.499 2.398 ( 1.473 0.602 -0.332) 1.626 2.441 ( 7.318 -0.195 0.222) 7.324 2.452 ( 6.835 -0.227 -0.050) 6.839 3.800 ( -2.221 -0.222 -0.079) 2.233 3.814 ( -1.274 0.234 0.172) 1.307 4.042 ( -8.511 -0.237 0.692) 8.543 4.125 ( -11.267 0.132 -1.453) 11.361 4.327 ( 6.886 -0.242 0.750) 6.931 4.345 ( 7.108 -0.479 -0.012) 7.124 4.625 ( 1.826 -0.577 0.871) 2.103 4.682 ( 2.058 -0.447 -0.561) 2.180 8.841 ( -1.144 -0.661 -0.282) 1.351 8.904 ( -0.716 0.769 0.513) 1.169 9.311 ( -0.829 -1.220 -0.356) 1.517 9.432 ( 0.861 1.200 -0.336) 1.514 9.506 ( -0.998 -1.185 0.400) 1.600 9.673 ( -2.008 1.196 0.183) 2.344 9.718 ( 1.556 -0.933 -0.188) 1.824 9.772 ( 1.532 0.201 0.121) 1.550 9.932 ( -5.283 0.052 -0.017) 5.284 9.971 ( -5.040 0.787 0.201) 5.105 10.032 ( 5.276 -0.470 -0.266) 5.303 10.061 ( 3.821 0.529 -0.586) 3.901 10.157 ( 0.671 -0.507 1.758) 1.949 10.206 ( -0.160 -0.068 -0.936) 0.952 10.287 ( -0.691 0.103 0.159) 0.717 10.300 ( 0.654 -1.012 -0.420) 1.276 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.516 0.788 -0.627) 1.131 0.755 ( -2.747 1.010 1.205) 3.165 0.935 ( 5.433 -1.213 1.870) 5.872 0.984 ( 0.025 0.626 0.926) 1.119 1.031 ( 2.964 1.797 -2.715) 4.403 1.155 ( 4.908 -0.142 -1.978) 5.294 1.197 ( 3.568 1.401 -0.804) 3.916 1.259 ( 1.133 -0.246 -1.203) 1.670 1.322 ( 4.157 3.165 -0.115) 5.226 1.364 ( 1.374 -1.488 1.637) 2.604 1.399 ( 4.941 1.344 0.426) 5.138 1.425 ( 3.170 -0.048 -1.092) 3.353 1.473 ( -2.703 0.969 1.938) 3.464 1.497 ( -3.487 0.468 0.657) 3.579 1.515 ( -4.231 -1.168 -0.122) 4.391 1.558 ( -4.262 -1.307 -0.179) 4.462 1.616 ( -1.847 0.146 -1.722) 2.529 1.634 ( -3.544 -2.065 -0.683) 4.159 1.661 ( -1.067 0.493 0.140) 1.184 1.706 ( -3.457 -0.422 2.257) 4.150 1.746 ( -0.409 -0.825 0.600) 1.099 1.762 ( -2.357 -0.741 -0.966) 2.653 1.927 ( 2.856 -0.982 -0.040) 3.020 1.984 ( 4.060 -1.627 0.807) 4.448 2.056 ( -1.934 1.553 0.195) 2.488 2.075 ( -4.558 -0.917 -0.973) 4.750 2.348 ( 0.749 -0.867 -0.569) 1.279 2.402 ( -1.855 -0.696 0.103) 1.984 2.437 ( -7.165 -0.098 -0.175) 7.168 2.452 ( -6.778 0.249 0.009) 6.783 3.802 ( 2.386 -0.201 0.128) 2.397 3.810 ( 1.014 -0.381 -0.193) 1.100 4.031 ( 8.567 -1.421 -0.335) 8.690 4.151 ( 10.952 0.331 0.944) 10.997 4.314 ( -8.178 0.127 -0.468) 8.192 4.344 ( -6.272 0.551 -0.090) 6.296 4.609 ( -0.719 -0.470 -0.581) 1.037 4.691 ( -2.707 0.821 0.312) 2.846 8.847 ( -0.000 -0.341 0.298) 0.453 8.893 ( 2.170 0.014 -0.469) 2.220 9.325 ( -0.846 0.408 0.903) 1.303 9.416 ( 1.904 2.614 -1.414) 3.529 9.520 ( -1.232 -1.891 1.228) 2.569 9.656 ( 0.964 -2.846 -1.109) 3.203 9.736 ( -0.094 0.963 1.379) 1.685 9.763 ( -1.411 0.783 -0.853) 1.825 9.933 ( 4.623 -0.602 0.026) 4.662 9.967 ( 5.055 -0.013 -0.139) 5.057 10.038 ( -5.318 -0.005 0.289) 5.326 10.071 ( -4.354 0.717 0.311) 4.424 10.130 ( 1.214 -0.694 -0.845) 1.634 10.217 ( -0.624 -0.443 0.264) 0.810 10.284 ( 0.643 -0.180 -0.090) 0.674 10.307 ( -1.014 1.480 0.262) 1.813 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 4.603 -0.772 -0.121) 4.669 0.690 ( 10.531 -2.344 0.048) 10.789 0.893 ( 1.573 2.336 1.151) 3.043 0.914 ( 9.450 3.023 0.208) 9.924 1.007 ( -0.917 -0.258 -0.327) 1.007 1.048 ( 4.924 -1.793 -0.725) 5.291 1.092 ( 6.578 2.073 -1.604) 7.081 1.194 ( 6.652 3.896 -0.277) 7.714 1.256 ( 7.985 -0.862 -0.198) 8.034 1.291 ( 4.085 1.421 -0.118) 4.327 1.390 ( -2.838 2.864 0.650) 4.084 1.421 ( -1.247 3.070 -1.193) 3.522 1.523 ( -1.629 0.175 0.612) 1.749 1.570 ( 2.180 -0.718 0.542) 2.359 1.576 ( 0.657 -0.840 -0.436) 1.152 1.590 ( -2.634 1.341 0.364) 2.978 1.619 ( -6.240 -4.733 -0.419) 7.843 1.694 ( -0.800 -2.106 1.421) 2.664 1.704 ( -1.722 -2.151 -0.728) 2.850 1.761 ( -6.937 1.760 0.062) 7.157 1.799 ( -6.252 -0.360 0.307) 6.270 1.846 ( -5.816 -1.221 0.157) 5.945 1.908 ( 0.672 -2.726 0.761) 2.909 1.916 ( -1.120 -0.614 -0.164) 1.288 2.100 ( -2.637 0.836 -0.465) 2.805 2.166 ( -5.701 0.567 -0.147) 5.731 2.347 ( -3.034 -1.782 -0.755) 3.599 2.453 ( -4.073 -0.684 0.072) 4.131 2.648 ( -14.589 -0.168 -0.017) 14.590 2.651 ( -13.415 0.149 -0.040) 13.415 3.735 ( 4.123 -0.441 -0.093) 4.148 3.770 ( 2.851 -0.305 0.042) 2.868 3.822 ( 11.657 -1.167 -0.242) 11.718 3.945 ( 11.635 0.351 0.644) 11.658 4.436 ( -4.795 0.494 -0.125) 4.822 4.467 ( -5.771 0.892 0.006) 5.840 4.636 ( -2.446 -0.117 -0.765) 2.566 4.772 ( -4.413 1.392 0.233) 4.633 8.828 ( 3.611 -0.076 0.448) 3.639 8.845 ( 0.806 -0.190 -0.573) 1.007 9.348 ( 0.086 1.346 1.583) 2.079 9.397 ( 2.209 4.065 -1.630) 4.905 9.530 ( -0.904 -1.434 0.971) 1.954 9.620 ( -0.143 -3.295 -0.173) 3.303 9.731 ( 0.239 -0.330 -0.571) 0.701 9.784 ( 1.746 0.422 -0.158) 1.803 9.869 ( 5.034 -0.031 0.291) 5.042 9.891 ( -1.272 0.213 0.096) 1.293 10.094 ( 0.620 -0.437 -0.069) 0.762 10.137 ( -4.849 -0.786 0.340) 4.925 10.149 ( -2.071 1.990 -0.317) 2.890 10.213 ( 0.378 -0.699 -0.087) 0.799 10.268 ( 1.105 -0.009 -0.044) 1.106 10.351 ( -2.039 1.559 0.334) 2.588 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 12.050 -3.822 -0.000) 12.642 0.516 ( 10.523 -0.280 -0.000) 10.526 0.776 ( 7.509 2.109 -0.000) 7.799 0.803 ( 9.120 2.394 -0.000) 9.429 0.889 ( 8.391 -3.458 -0.000) 9.076 0.989 ( 1.672 -1.489 -0.000) 2.239 1.047 ( 7.711 -0.184 -0.000) 7.713 1.076 ( 8.828 1.818 -0.000) 9.013 1.138 ( -1.114 -0.308 0.000) 1.156 1.221 ( 4.745 -3.064 -0.000) 5.648 1.375 ( 4.772 -1.847 -0.000) 5.117 1.400 ( 0.674 0.734 0.000) 0.996 1.531 ( -0.133 -0.558 -0.000) 0.574 1.600 ( -1.850 1.926 0.000) 2.670 1.619 ( -2.112 0.767 0.000) 2.247 1.620 ( -4.256 4.114 0.000) 5.919 1.680 ( 0.304 -0.753 -0.000) 0.812 1.702 ( -4.942 -4.619 -0.000) 6.764 1.733 ( -0.672 0.617 0.000) 0.912 1.847 ( 0.904 -2.377 -0.000) 2.543 1.892 ( -4.419 1.634 0.000) 4.712 1.904 ( -3.150 2.231 0.000) 3.860 1.951 ( -4.932 -1.891 0.000) 5.282 1.956 ( -3.152 -0.790 0.000) 3.249 2.199 ( -8.023 0.144 0.000) 8.025 2.284 ( -6.814 0.524 0.000) 6.834 2.435 ( -7.341 -0.914 0.000) 7.398 2.524 ( -3.468 -0.149 0.000) 3.471 2.897 ( -12.746 0.050 0.000) 12.746 2.917 ( -14.000 0.288 0.000) 14.002 3.612 ( 9.626 -0.592 -0.000) 9.644 3.658 ( 4.107 0.016 -0.000) 4.107 3.721 ( 2.339 -0.414 -0.000) 2.375 3.762 ( 8.459 0.204 -0.000) 8.461 4.495 ( -1.426 0.607 0.000) 1.550 4.556 ( -3.021 1.145 0.000) 3.231 4.677 ( -2.153 0.118 0.000) 2.157 4.856 ( -3.221 1.281 0.000) 3.466 8.757 ( 3.503 -0.224 -0.000) 3.510 8.834 ( 0.654 0.340 -0.000) 0.737 9.345 ( 1.786 0.876 -0.000) 1.989 9.391 ( 2.419 6.551 0.000) 6.983 9.546 ( -1.472 -0.407 0.000) 1.527 9.606 ( -0.897 -2.993 -0.000) 3.125 9.722 ( 0.228 -0.430 -0.000) 0.487 9.729 ( 3.350 0.107 -0.000) 3.352 9.784 ( 4.070 0.013 -0.000) 4.070 9.963 ( -4.979 0.413 0.000) 4.996 10.087 ( -0.412 -0.244 -0.000) 0.479 10.162 ( 1.735 1.185 0.000) 2.101 10.208 ( -2.417 -0.029 0.000) 2.417 10.214 ( -0.012 1.965 0.000) 1.965 10.246 ( 0.349 -0.953 -0.000) 1.015 10.397 ( -2.014 -0.128 0.000) 2.018 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.119 ( 0.000 -0.000 6.766) 6.766 0.166 ( 0.000 -0.000 8.447) 8.447 0.329 ( 0.000 -0.000 17.338) 17.338 0.539 ( -0.000 0.000 -5.299) 5.299 0.622 ( -0.000 0.000 -5.451) 5.451 0.855 ( -0.000 0.000 -4.181) 4.181 0.891 ( 0.000 -0.000 3.662) 3.662 1.004 ( 0.000 -0.000 1.671) 1.671 1.041 ( -0.000 0.000 -0.341) 0.341 1.170 ( -0.000 0.000 -2.640) 2.640 1.273 ( 0.000 -0.000 1.822) 1.822 1.382 ( -0.000 0.000 -1.592) 1.592 1.547 ( -0.000 0.000 -1.634) 1.634 1.617 ( -0.000 0.000 -3.838) 3.838 1.708 ( 0.000 -0.000 0.348) 0.348 1.716 ( 0.000 -0.000 0.392) 0.392 1.735 ( 0.000 -0.000 2.945) 2.945 1.737 ( 0.000 -0.000 0.229) 0.229 1.743 ( -0.000 0.000 -0.294) 0.294 1.819 ( 0.000 -0.000 0.753) 0.753 1.897 ( -0.000 0.000 -0.453) 0.453 1.925 ( -0.000 0.000 -2.196) 2.196 2.046 ( 0.000 -0.000 0.082) 0.082 2.054 ( -0.000 0.000 -0.199) 0.199 2.444 ( 0.000 -0.000 0.785) 0.785 2.507 ( -0.000 0.000 -1.207) 1.207 2.533 ( 0.000 -0.000 0.426) 0.426 2.606 ( -0.000 0.000 -1.835) 1.835 3.095 ( 0.000 -0.000 0.567) 0.567 3.139 ( -0.000 0.000 -0.828) 0.828 3.444 ( 0.000 -0.000 0.377) 0.377 3.483 ( -0.000 0.000 -0.885) 0.885 3.591 ( 0.000 -0.000 0.565) 0.565 3.658 ( -0.000 0.000 -1.572) 1.572 4.508 ( 0.000 -0.000 0.552) 0.552 4.585 ( -0.000 0.000 -2.022) 2.022 4.926 ( 0.000 -0.000 0.530) 0.530 4.953 ( -0.000 0.000 -0.417) 0.417 8.698 ( 0.000 -0.000 1.138) 1.138 8.803 ( -0.000 0.000 -2.233) 2.233 9.065 ( 0.000 -0.000 2.028) 2.028 9.239 ( -0.000 0.000 -4.262) 4.262 9.487 ( 0.000 -0.000 3.109) 3.109 9.605 ( -0.000 0.000 -1.398) 1.398 9.662 ( 0.000 -0.000 0.555) 0.555 9.698 ( -0.000 0.000 -0.505) 0.505 10.002 ( 0.000 -0.000 0.820) 0.820 10.087 ( -0.000 0.000 -2.052) 2.052 10.123 ( 0.000 -0.000 0.328) 0.328 10.135 ( 0.000 -0.000 0.135) 0.135 10.148 ( 0.000 -0.000 0.211) 0.211 10.165 ( -0.000 0.000 -0.354) 0.354 10.240 ( 0.000 -0.000 0.640) 0.640 10.276 ( -0.000 0.000 -0.532) 0.532 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( -12.690 -0.245 3.224) 13.096 0.367 ( -6.896 2.099 7.992) 10.763 0.520 ( -9.694 5.426 0.658) 11.129 0.640 ( -10.943 -2.552 -0.572) 11.251 0.723 ( -9.047 5.994 -3.371) 11.364 0.848 ( -5.096 1.005 -1.655) 5.452 0.972 ( -5.693 -0.642 2.674) 6.322 1.025 ( -0.809 0.050 2.833) 2.947 1.093 ( -4.827 2.263 -1.714) 5.600 1.153 ( 0.993 0.082 -2.613) 2.796 1.309 ( -2.530 0.716 1.905) 3.247 1.398 ( -1.809 -0.113 -2.121) 2.790 1.500 ( 1.089 -2.305 -0.269) 2.564 1.600 ( -0.700 -1.026 -4.385) 4.557 1.657 ( 2.925 -0.495 2.419) 3.828 1.700 ( 3.137 -0.653 -0.800) 3.303 1.710 ( 1.735 0.065 1.232) 2.129 1.741 ( 2.543 4.045 0.381) 4.793 1.753 ( 0.467 -0.182 0.596) 0.778 1.813 ( 1.226 0.654 -0.970) 1.694 1.910 ( -0.779 -0.380 -0.757) 1.151 1.917 ( -0.252 -0.111 -1.286) 1.315 2.020 ( 2.578 -0.606 0.180) 2.654 2.033 ( 3.083 0.494 0.160) 3.127 2.393 ( 8.493 -0.276 1.290) 8.595 2.402 ( 5.146 0.025 0.379) 5.160 2.546 ( 2.024 -0.626 -0.729) 2.240 2.558 ( 2.738 0.861 -0.360) 2.893 3.076 ( 6.379 -0.311 -0.711) 6.426 3.086 ( 5.414 0.106 -1.555) 5.634 3.486 ( -4.757 0.311 0.714) 4.820 3.545 ( -6.811 -0.719 -2.773) 7.389 3.621 ( -2.040 1.708 0.105) 2.663 3.666 ( -1.517 0.364 -1.533) 2.187 4.514 ( -0.304 -0.538 0.754) 0.975 4.571 ( 0.389 -0.659 -1.912) 2.060 4.844 ( 6.034 -2.112 4.992) 8.111 4.907 ( 1.980 -0.814 0.002) 2.141 8.721 ( -1.825 0.091 1.357) 2.276 8.799 ( -0.893 -0.189 -2.165) 2.349 9.232 ( -6.958 -3.961 -4.547) 9.208 9.288 ( -8.112 2.394 -5.392) 10.030 9.501 ( 0.164 0.430 2.259) 2.305 9.585 ( 1.035 0.205 -1.466) 1.806 9.685 ( -2.328 -0.457 0.745) 2.487 9.718 ( -2.502 -0.313 -0.522) 2.575 9.881 ( 5.615 -1.903 5.242) 7.914 10.021 ( 4.774 0.032 -2.653) 5.461 10.115 ( 1.146 -0.365 0.467) 1.290 10.131 ( -0.720 -0.146 -0.176) 0.755 10.196 ( -2.697 -0.856 -0.094) 2.831 10.213 ( -2.622 -3.306 -0.804) 4.295 10.255 ( 1.179 0.795 -0.428) 1.485 10.330 ( -2.698 5.178 -2.637) 6.407 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -7.273 0.475 3.060) 7.905 0.544 ( -9.630 0.651 1.689) 9.799 0.706 ( -9.999 1.116 -2.540) 10.376 0.743 ( -6.957 -1.199 -2.295) 7.423 0.968 ( -12.385 -0.714 1.493) 12.496 1.024 ( -2.412 -1.450 2.096) 3.509 1.068 ( -7.793 2.667 1.897) 8.452 1.095 ( -5.705 -1.680 0.922) 6.018 1.123 ( -1.285 1.259 -1.252) 2.192 1.228 ( -6.421 3.730 -0.007) 7.426 1.367 ( -2.982 -1.783 0.985) 3.611 1.454 ( -4.408 2.641 1.586) 5.378 1.482 ( -0.597 -2.378 -1.585) 2.919 1.580 ( 0.520 -2.041 -2.586) 3.335 1.608 ( 2.750 -0.803 -0.241) 2.875 1.620 ( 2.843 -1.478 -1.207) 3.424 1.660 ( 3.272 -0.170 2.056) 3.868 1.712 ( 3.964 3.314 0.433) 5.185 1.737 ( 2.917 0.180 -0.787) 3.027 1.786 ( 1.900 3.528 -2.980) 4.994 1.879 ( 2.292 -1.040 -0.162) 2.522 1.910 ( 1.929 -1.357 0.035) 2.359 1.951 ( 5.682 1.828 0.140) 5.970 1.958 ( 4.479 0.599 -0.011) 4.519 2.239 ( 7.864 -1.206 1.694) 8.134 2.282 ( 6.815 -0.455 -0.216) 6.834 2.467 ( 5.039 0.610 1.621) 5.329 2.513 ( 3.804 0.795 -0.756) 3.959 2.895 ( 12.434 -0.102 -0.133) 12.435 2.906 ( 12.939 0.119 -0.412) 12.946 3.632 ( -10.097 0.423 1.425) 10.206 3.665 ( -5.454 -0.353 0.286) 5.473 3.703 ( -7.121 0.534 -2.392) 7.531 3.704 ( -4.071 0.778 -1.201) 4.315 4.505 ( 1.441 -0.730 0.762) 1.786 4.537 ( 2.146 -0.830 -1.140) 2.568 4.763 ( 4.225 -1.502 3.889) 5.936 4.842 ( 3.863 -1.273 -1.159) 4.229 8.772 ( -2.831 -0.231 0.851) 2.965 8.817 ( -1.988 0.354 -0.936) 2.226 9.279 ( -3.837 -3.463 -2.063) 5.565 9.391 ( -3.533 1.116 -2.225) 4.322 9.504 ( 0.110 -0.751 0.673) 1.014 9.582 ( -0.667 1.766 -0.877) 2.082 9.741 ( -3.634 -0.467 0.745) 3.739 9.772 ( -3.383 -0.225 -0.472) 3.423 9.822 ( 2.732 0.155 3.947) 4.803 9.920 ( 4.366 -0.206 -2.755) 5.167 10.105 ( 0.338 0.170 1.019) 1.088 10.137 ( -0.270 -0.103 -1.306) 1.337 10.211 ( 1.180 -2.623 0.212) 2.884 10.220 ( -0.493 -0.651 0.153) 0.831 10.246 ( -1.202 0.363 0.011) 1.256 10.360 ( 1.110 1.984 -1.421) 2.681 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -6.479 -1.238 0.070) 6.596 0.684 ( -5.248 -0.436 -0.093) 5.267 0.851 ( -5.395 -0.675 -0.934) 5.517 0.893 ( -8.714 -0.073 -0.322) 8.720 1.031 ( -0.266 -1.793 0.610) 1.913 1.080 ( -4.720 -1.680 0.541) 5.040 1.180 ( -7.736 -0.884 2.795) 8.273 1.207 ( -6.817 -2.028 -0.161) 7.114 1.271 ( -7.208 -0.834 0.342) 7.264 1.316 ( -2.498 -1.209 1.184) 3.017 1.398 ( -0.398 -3.894 2.088) 4.436 1.438 ( 1.326 -2.885 -1.274) 3.422 1.521 ( 4.467 -1.458 -0.828) 4.771 1.532 ( 1.132 -0.188 0.821) 1.411 1.566 ( -1.342 0.353 -0.902) 1.655 1.590 ( 1.488 1.022 -0.364) 1.841 1.637 ( 0.567 1.984 0.132) 2.067 1.652 ( 4.526 3.368 -0.077) 5.642 1.675 ( 1.766 -0.293 -2.392) 2.987 1.752 ( 5.212 3.475 -0.208) 6.268 1.788 ( 6.433 -0.388 -0.065) 6.445 1.840 ( 2.863 1.938 -0.065) 3.458 1.892 ( 2.444 2.149 -0.053) 3.255 1.905 ( 1.321 1.091 -0.500) 1.785 2.126 ( 3.667 -2.249 0.662) 4.352 2.174 ( 4.485 -0.520 0.243) 4.522 2.402 ( 3.576 1.182 2.158) 4.341 2.440 ( 4.012 1.100 -1.007) 4.281 2.649 ( 13.683 -0.094 0.046) 13.684 2.653 ( 13.706 -0.092 0.068) 13.706 3.743 ( -3.782 -0.047 0.341) 3.798 3.764 ( -3.411 0.519 -0.282) 3.462 3.848 ( -12.004 -0.010 1.492) 12.096 3.895 ( -12.467 0.096 -2.119) 12.646 4.445 ( 4.855 -0.925 0.275) 4.950 4.466 ( 4.910 -0.439 -0.055) 4.930 4.693 ( 3.810 -1.270 2.282) 4.619 4.748 ( 4.377 -1.066 -1.389) 4.715 8.814 ( -2.219 -0.936 -0.255) 2.422 8.868 ( -2.461 1.227 0.523) 2.799 9.300 ( -2.042 -2.830 -0.829) 3.587 9.428 ( -0.248 1.635 -0.471) 1.719 9.501 ( -0.768 -1.595 0.273) 1.791 9.620 ( -1.980 2.045 -0.192) 2.853 9.767 ( 2.401 -0.968 1.046) 2.793 9.796 ( -0.243 0.109 0.412) 0.490 9.850 ( -2.954 -0.177 -0.611) 3.021 9.881 ( -3.049 0.989 -0.404) 3.231 10.100 ( 1.404 0.386 0.261) 1.479 10.118 ( 3.314 0.738 -0.584) 3.446 10.168 ( -0.251 -2.072 0.592) 2.169 10.217 ( 1.024 0.219 0.049) 1.048 10.272 ( -1.361 -0.582 0.182) 1.492 10.327 ( 1.912 -0.487 -0.764) 2.115 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.540 -3.277 -0.498) 3.358 0.723 ( -1.612 -2.524 0.043) 2.995 0.931 ( -4.708 1.942 0.660) 5.136 0.975 ( -0.135 2.176 -0.171) 2.187 1.045 ( -1.507 -3.116 -0.292) 3.473 1.182 ( -4.070 -1.255 -0.105) 4.260 1.262 ( 2.891 -1.850 0.526) 3.472 1.270 ( -1.287 -1.209 0.275) 1.787 1.328 ( -7.578 -3.994 0.129) 8.567 1.356 ( -1.845 -1.488 0.755) 2.487 1.428 ( -2.658 1.021 -0.144) 2.851 1.429 ( 0.791 -0.045 1.499) 1.695 1.434 ( 2.361 -1.579 -0.104) 2.842 1.466 ( -2.111 -1.427 -1.182) 2.809 1.515 ( 5.945 2.506 -0.133) 6.453 1.568 ( 1.458 1.001 0.480) 1.833 1.603 ( 4.893 0.394 -1.993) 5.298 1.638 ( 2.114 0.252 -0.125) 2.133 1.669 ( -1.599 0.906 0.915) 2.053 1.681 ( 2.736 0.782 -0.033) 2.846 1.727 ( -0.898 0.307 -0.340) 1.009 1.777 ( 4.200 -0.208 0.124) 4.207 1.933 ( -3.217 0.722 0.291) 3.309 1.954 ( -4.622 2.925 -0.639) 5.507 2.057 ( 2.231 -2.465 0.056) 3.325 2.098 ( 4.343 -0.145 0.293) 4.355 2.372 ( 1.660 0.642 0.511) 1.852 2.396 ( 0.990 0.588 -0.238) 1.176 2.443 ( 7.444 -0.316 0.093) 7.451 2.451 ( 6.835 -0.188 -0.030) 6.837 3.799 ( -2.209 -0.362 -0.026) 2.239 3.815 ( -1.319 0.177 0.064) 1.333 4.047 ( -8.378 -1.077 0.349) 8.454 4.115 ( -11.502 0.565 -0.643) 11.533 4.333 ( 5.857 -0.390 0.356) 5.880 4.345 ( 7.990 -0.359 -0.065) 7.998 4.631 ( 2.409 -1.104 0.378) 2.677 4.678 ( 1.634 -0.150 -0.263) 1.662 8.839 ( -1.412 -0.925 -0.102) 1.691 8.907 ( -0.331 0.960 0.193) 1.033 9.310 ( -1.351 -1.455 -0.060) 1.986 9.427 ( 1.692 2.390 -0.399) 2.956 9.511 ( -1.735 -2.169 0.423) 2.809 9.672 ( -1.861 0.072 -0.183) 1.872 9.719 ( 1.326 -0.259 0.165) 1.361 9.772 ( 1.823 0.432 -0.015) 1.873 9.932 ( -5.489 -0.132 -0.004) 5.490 9.972 ( -5.099 1.083 0.083) 5.214 10.030 ( 5.255 -0.584 -0.095) 5.288 10.057 ( 3.854 0.679 -0.244) 3.921 10.171 ( 2.074 -0.731 1.181) 2.496 10.197 ( -1.356 -0.254 -0.857) 1.624 10.288 ( -0.726 0.016 0.089) 0.732 10.297 ( 0.553 -0.775 -0.195) 0.972 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.333 0.608 0.000) 0.693 0.761 ( -3.345 0.608 0.000) 3.400 0.947 ( 6.627 -1.621 -0.000) 6.822 0.996 ( 0.814 0.803 0.000) 1.143 1.007 ( 0.943 2.353 0.000) 2.535 1.146 ( 5.436 0.103 -0.000) 5.437 1.194 ( 4.162 0.553 -0.000) 4.198 1.253 ( 1.134 0.047 -0.000) 1.135 1.321 ( 3.910 3.061 0.000) 4.965 1.372 ( 0.883 -2.332 -0.000) 2.494 1.405 ( 5.182 3.132 0.000) 6.055 1.416 ( 4.405 -1.350 -0.000) 4.608 1.484 ( -3.000 0.393 0.000) 3.025 1.498 ( -3.708 0.721 0.000) 3.777 1.515 ( -3.964 -0.842 0.000) 4.053 1.557 ( -4.415 -1.337 0.000) 4.613 1.607 ( -3.031 0.685 0.000) 3.107 1.631 ( -3.069 -2.316 -0.000) 3.845 1.662 ( -1.010 0.342 0.000) 1.066 1.718 ( -3.530 -0.359 0.000) 3.548 1.751 ( -3.147 -1.097 0.000) 3.332 1.754 ( 0.292 -0.730 -0.000) 0.786 1.926 ( 2.758 -0.932 -0.000) 2.911 1.988 ( 4.086 -1.487 -0.000) 4.348 2.058 ( -1.593 1.772 0.000) 2.383 2.069 ( -4.927 -1.468 0.000) 5.141 2.345 ( 1.012 -0.876 -0.000) 1.339 2.403 ( -1.854 -0.713 0.000) 1.987 2.436 ( -7.172 -0.152 0.000) 7.173 2.452 ( -6.765 0.246 0.000) 6.770 3.803 ( 2.522 -0.292 -0.000) 2.539 3.809 ( 0.860 -0.396 -0.000) 0.947 4.030 ( 8.557 -1.674 -0.000) 8.719 4.155 ( 10.920 0.357 -0.000) 10.926 4.312 ( -8.341 0.127 0.000) 8.342 4.343 ( -6.200 0.550 0.000) 6.224 4.607 ( -0.558 -0.629 -0.000) 0.841 4.693 ( -2.784 0.854 0.000) 2.911 8.849 ( -0.335 -0.604 -0.000) 0.690 8.891 ( 2.557 0.235 -0.000) 2.568 9.330 ( -1.359 0.108 0.000) 1.364 9.408 ( 2.444 3.176 0.000) 4.007 9.526 ( -1.482 -2.154 -0.000) 2.614 9.650 ( 0.813 -2.988 -0.000) 3.097 9.745 ( 1.243 0.090 -0.000) 1.246 9.756 ( -2.479 1.668 0.000) 2.988 9.933 ( 4.487 -0.710 -0.000) 4.542 9.967 ( 5.086 0.124 -0.000) 5.087 10.040 ( -5.331 -0.150 0.000) 5.333 10.072 ( -4.589 1.189 0.000) 4.741 10.127 ( 1.626 -1.093 -0.000) 1.959 10.218 ( -0.703 -0.528 -0.000) 0.880 10.284 ( 0.632 -0.181 -0.000) 0.658 10.308 ( -1.081 1.548 0.000) 1.888 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( 0.000 -0.000 6.735) 6.735 0.235 ( 0.000 -0.000 6.132) 6.132 0.482 ( 0.000 -0.000 15.831) 15.831 0.492 ( -0.000 0.000 -4.363) 4.363 0.566 ( -0.000 0.000 -6.577) 6.577 0.804 ( -0.000 0.000 -7.009) 7.009 0.927 ( 0.000 -0.000 3.938) 3.938 1.012 ( -0.000 0.000 -0.816) 0.816 1.044 ( 0.000 -0.000 1.938) 1.938 1.141 ( -0.000 0.000 -3.502) 3.502 1.293 ( 0.000 -0.000 2.513) 2.513 1.365 ( -0.000 0.000 -2.197) 2.197 1.535 ( -0.000 0.000 -0.776) 0.776 1.581 ( -0.000 0.000 -3.805) 3.805 1.712 ( 0.000 -0.000 0.433) 0.433 1.719 ( 0.000 -0.000 0.205) 0.205 1.739 ( 0.000 -0.000 0.138) 0.138 1.740 ( -0.000 0.000 -0.193) 0.193 1.764 ( 0.000 -0.000 3.215) 3.215 1.823 ( -0.000 0.000 -0.130) 0.130 1.892 ( -0.000 0.000 -0.478) 0.478 1.905 ( -0.000 0.000 -2.061) 2.061 2.047 ( 0.000 -0.000 0.128) 0.128 2.052 ( -0.000 0.000 -0.234) 0.234 2.453 ( 0.000 -0.000 1.169) 1.169 2.494 ( -0.000 0.000 -1.542) 1.542 2.539 ( 0.000 -0.000 0.949) 0.949 2.587 ( -0.000 0.000 -2.175) 2.175 3.101 ( 0.000 -0.000 0.826) 0.826 3.130 ( -0.000 0.000 -1.060) 1.060 3.448 ( 0.000 -0.000 0.633) 0.633 3.474 ( -0.000 0.000 -1.072) 1.072 3.598 ( 0.000 -0.000 0.992) 0.992 3.642 ( -0.000 0.000 -1.881) 1.881 4.515 ( 0.000 -0.000 1.031) 1.031 4.565 ( -0.000 0.000 -2.304) 2.304 4.931 ( 0.000 -0.000 0.626) 0.626 4.948 ( -0.000 0.000 -0.548) 0.548 8.712 ( 0.000 -0.000 1.773) 1.773 8.780 ( -0.000 0.000 -2.732) 2.732 9.088 ( 0.000 -0.000 2.968) 2.968 9.198 ( -0.000 0.000 -4.597) 4.597 9.516 ( 0.000 -0.000 3.166) 3.166 9.590 ( -0.000 0.000 -1.996) 1.996 9.668 ( 0.000 -0.000 0.775) 0.775 9.692 ( -0.000 0.000 -0.748) 0.748 10.012 ( 0.000 -0.000 1.371) 1.371 10.067 ( -0.000 0.000 -2.299) 2.299 10.126 ( 0.000 -0.000 0.393) 0.393 10.135 ( -0.000 0.000 -0.128) 0.128 10.151 ( 0.000 -0.000 0.304) 0.304 10.161 ( -0.000 0.000 -0.420) 0.420 10.247 ( 0.000 -0.000 0.814) 0.814 10.270 ( -0.000 0.000 -0.728) 0.728 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -11.063 0.011 3.290) 11.542 0.418 ( -8.118 3.575 2.677) 9.265 0.527 ( -5.427 1.832 1.752) 5.990 0.623 ( -6.895 -0.490 -3.529) 7.762 0.721 ( -12.899 4.131 3.094) 13.894 0.823 ( -8.255 2.417 -3.609) 9.328 0.996 ( -4.905 -1.339 2.481) 5.657 1.053 ( -1.488 0.757 3.104) 3.524 1.076 ( -4.597 2.132 -1.530) 5.294 1.124 ( 0.398 0.129 -3.429) 3.454 1.329 ( -2.243 0.207 2.221) 3.163 1.378 ( -2.352 0.620 -2.206) 3.284 1.504 ( 1.070 -2.403 1.146) 2.869 1.560 ( -0.407 -1.049 -3.997) 4.152 1.673 ( 3.228 -0.772 1.353) 3.584 1.692 ( 3.182 -0.597 -0.827) 3.342 1.722 ( 1.367 0.830 1.228) 2.017 1.746 ( 1.568 3.472 0.625) 3.861 1.759 ( 1.549 -0.418 0.861) 1.820 1.799 ( 2.419 0.768 -1.888) 3.163 1.903 ( -0.454 -0.592 -0.562) 0.934 1.909 ( -1.129 0.090 -0.491) 1.235 2.022 ( 2.458 -0.738 0.128) 2.570 2.034 ( 2.839 0.559 0.012) 2.893 2.402 ( 7.584 -0.222 0.663) 7.616 2.405 ( 5.705 -0.056 0.240) 5.710 2.540 ( 1.980 -0.723 -0.506) 2.167 2.555 ( 2.038 1.147 -0.285) 2.356 3.069 ( 5.844 -0.371 -0.527) 5.880 3.077 ( 5.840 0.513 -0.567) 5.889 3.494 ( -5.033 0.289 1.099) 5.160 3.523 ( -6.077 -0.029 -2.117) 6.435 3.626 ( -1.938 0.973 0.896) 2.346 3.651 ( -1.700 0.488 -1.619) 2.398 4.523 ( -0.238 -0.534 1.221) 1.354 4.553 ( 0.118 -0.580 -1.964) 2.051 4.878 ( 4.733 -2.031 2.499) 5.725 4.906 ( 2.603 -0.822 -0.288) 2.745 8.736 ( -1.687 0.018 1.868) 2.517 8.778 ( -1.250 -0.045 -2.397) 2.703 9.201 ( -6.661 -2.909 -2.021) 7.544 9.252 ( -7.127 3.080 -2.671) 8.210 9.523 ( 0.591 -0.353 2.443) 2.538 9.569 ( 0.755 0.353 -1.832) 2.013 9.693 ( -2.370 -0.623 0.826) 2.586 9.712 ( -2.559 -0.186 -0.703) 2.660 9.923 ( 5.222 -1.782 3.825) 6.714 9.995 ( 4.986 0.103 -2.883) 5.761 10.119 ( 0.581 -0.684 0.266) 0.936 10.130 ( -0.008 0.145 -0.141) 0.203 10.195 ( -3.238 -1.489 -0.016) 3.564 10.206 ( -2.254 -1.385 -0.613) 2.716 10.253 ( 0.777 -0.071 -0.088) 0.785 10.314 ( -2.211 5.024 -1.045) 5.588 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -6.066 0.030 1.403) 6.226 0.555 ( -8.715 0.416 0.524) 8.740 0.691 ( -10.502 -0.264 -0.754) 10.533 0.726 ( -7.622 0.884 -1.144) 7.758 0.975 ( -11.984 -1.717 0.307) 12.110 1.039 ( -3.519 -1.773 0.961) 4.056 1.086 ( -8.161 2.973 1.963) 8.904 1.102 ( -4.032 -1.530 0.433) 4.334 1.109 ( -2.534 1.593 -1.661) 3.423 1.227 ( -7.000 3.852 -0.079) 7.991 1.377 ( -3.394 -2.105 0.832) 4.080 1.452 ( -3.562 0.550 -0.996) 3.739 1.486 ( -1.499 -1.119 1.435) 2.357 1.555 ( -1.326 -0.530 -2.104) 2.543 1.608 ( 3.777 -1.233 0.128) 3.975 1.612 ( 3.359 -1.663 -0.623) 3.800 1.685 ( 3.651 -0.246 2.953) 4.702 1.711 ( 2.957 1.534 -1.219) 3.547 1.724 ( 5.195 1.406 -1.260) 5.528 1.768 ( 1.529 4.378 -0.825) 4.710 1.878 ( 2.210 -0.975 -0.045) 2.416 1.910 ( 1.535 -1.147 0.004) 1.917 1.952 ( 6.033 1.834 0.081) 6.306 1.957 ( 4.530 0.495 -0.028) 4.558 2.251 ( 7.773 -1.706 0.721) 7.991 2.280 ( 6.815 -0.180 -0.170) 6.819 2.479 ( 3.998 0.176 0.907) 4.104 2.506 ( 4.313 1.333 -0.578) 4.551 2.894 ( 12.315 -0.142 -0.069) 12.316 2.903 ( 12.721 0.242 -0.136) 12.725 3.647 ( -10.203 0.142 1.717) 10.347 3.662 ( -9.069 -0.265 -1.074) 9.136 3.687 ( -4.502 0.691 -0.729) 4.613 3.696 ( -3.412 0.898 -0.607) 3.580 4.513 ( 1.673 -0.905 0.776) 2.054 4.527 ( 1.680 -0.591 -0.923) 2.005 4.793 ( 4.279 -2.069 2.249) 5.258 4.830 ( 4.256 -0.984 -1.249) 4.543 8.779 ( -2.262 -0.682 0.485) 2.412 8.810 ( -2.758 0.876 -0.515) 2.940 9.266 ( -4.271 -3.540 -0.751) 5.598 9.375 ( -3.877 2.536 -0.991) 4.737 9.511 ( 0.308 -1.642 0.549) 1.758 9.575 ( -0.960 1.901 -0.427) 2.172 9.747 ( -3.747 -0.698 0.432) 3.836 9.768 ( -3.399 0.004 -0.352) 3.417 9.857 ( 3.209 -0.112 3.335) 4.630 9.893 ( 4.218 -0.043 -2.935) 5.139 10.114 ( 0.102 0.105 1.120) 1.129 10.126 ( 0.162 0.108 -1.225) 1.240 10.213 ( 1.003 -3.122 0.095) 3.281 10.221 ( -0.634 -0.414 0.043) 0.758 10.246 ( -1.519 0.134 0.009) 1.525 10.351 ( 1.135 2.498 -0.528) 2.794 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 -0.67 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -6.687 -2.078 0.000) 7.002 0.684 ( -4.634 -0.131 0.000) 4.636 0.847 ( -5.794 -0.444 0.000) 5.811 0.892 ( -8.665 -0.002 0.000) 8.665 1.034 ( -0.302 -1.856 -0.000) 1.880 1.083 ( -5.109 -1.869 0.000) 5.440 1.199 ( -7.431 -3.246 0.000) 8.109 1.201 ( -6.709 0.374 0.000) 6.720 1.273 ( -6.996 -1.010 0.000) 7.069 1.321 ( -2.858 -1.184 0.000) 3.093 1.413 ( 2.357 -2.965 -0.000) 3.788 1.428 ( -2.846 -4.026 -0.000) 4.930 1.511 ( 4.900 -1.856 -0.000) 5.240 1.545 ( 2.893 -0.347 -0.000) 2.914 1.558 ( -1.345 1.018 0.000) 1.687 1.586 ( 0.395 1.360 0.000) 1.416 1.640 ( 1.925 0.180 -0.000) 1.933 1.653 ( 5.000 3.895 0.000) 6.338 1.661 ( 0.201 0.240 0.000) 0.313 1.751 ( 5.085 4.147 0.000) 6.562 1.787 ( 6.327 -0.480 -0.000) 6.345 1.840 ( 2.661 2.009 0.000) 3.334 1.892 ( 2.816 1.936 0.000) 3.417 1.902 ( 1.338 1.189 0.000) 1.790 2.130 ( 3.801 -2.451 -0.000) 4.523 2.176 ( 4.338 -0.474 -0.000) 4.364 2.415 ( 3.522 0.802 -0.000) 3.612 2.433 ( 4.107 1.446 -0.000) 4.354 2.650 ( 13.573 -0.125 -0.000) 13.573 2.654 ( 13.732 -0.087 -0.000) 13.732 3.745 ( -3.655 -0.180 0.000) 3.659 3.763 ( -3.600 0.610 0.000) 3.651 3.858 ( -11.777 -0.552 0.000) 11.790 3.883 ( -12.812 0.537 0.000) 12.823 4.446 ( 4.899 -1.033 -0.000) 5.007 4.466 ( 4.756 -0.329 -0.000) 4.768 4.706 ( 4.059 -1.770 -0.000) 4.428 4.739 ( 4.292 -0.702 -0.000) 4.350 8.813 ( -2.177 -1.014 0.000) 2.401 8.870 ( -2.536 1.312 0.000) 2.855 9.296 ( -2.219 -2.909 -0.000) 3.659 9.425 ( -0.107 2.303 0.000) 2.305 9.503 ( -0.966 -2.076 -0.000) 2.290 9.619 ( -2.134 1.944 0.000) 2.887 9.772 ( 2.561 -1.339 -0.000) 2.889 9.798 ( 0.243 0.272 0.000) 0.365 9.847 ( -2.829 -0.107 0.000) 2.831 9.879 ( -3.683 1.136 0.000) 3.854 10.102 ( 1.781 0.393 -0.000) 1.824 10.115 ( 3.025 0.707 -0.000) 3.107 10.171 ( -0.659 -2.075 -0.000) 2.177 10.217 ( 1.271 0.147 -0.000) 1.280 10.273 ( -1.431 -0.740 0.000) 1.611 10.323 ( 1.948 -0.260 -0.000) 1.965 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.000 -0.000 5.298) 5.298 0.266 ( 0.000 -0.000 0.021) 0.021 0.473 ( 0.000 -0.000 0.967) 0.967 0.508 ( -0.000 0.000 -5.764) 5.764 0.616 ( 0.000 -0.000 13.415) 13.415 0.725 ( -0.000 0.000 -10.277) 10.277 0.962 ( 0.000 -0.000 3.709) 3.709 0.993 ( -0.000 0.000 -2.966) 2.966 1.072 ( 0.000 -0.000 3.670) 3.670 1.107 ( -0.000 0.000 -3.894) 3.894 1.318 ( 0.000 -0.000 2.757) 2.757 1.343 ( -0.000 0.000 -2.611) 2.611 1.535 ( 0.000 -0.000 0.807) 0.807 1.551 ( -0.000 0.000 -2.590) 2.590 1.716 ( 0.000 -0.000 0.409) 0.409 1.719 ( -0.000 0.000 -0.185) 0.185 1.739 ( 0.000 -0.000 0.012) 0.012 1.740 ( -0.000 0.000 -0.008) 0.008 1.792 ( 0.000 -0.000 2.918) 2.918 1.814 ( -0.000 0.000 -1.764) 1.764 1.889 ( -0.000 0.000 -0.161) 0.161 1.891 ( -0.000 0.000 -0.843) 0.843 2.048 ( 0.000 -0.000 0.179) 0.179 2.050 ( -0.000 0.000 -0.221) 0.221 2.465 ( 0.000 -0.000 1.478) 1.478 2.480 ( -0.000 0.000 -1.626) 1.626 2.551 ( 0.000 -0.000 1.566) 1.566 2.567 ( -0.000 0.000 -2.047) 2.047 3.110 ( 0.000 -0.000 1.028) 1.028 3.120 ( -0.000 0.000 -1.122) 1.122 3.455 ( 0.000 -0.000 0.885) 0.885 3.464 ( -0.000 0.000 -1.056) 1.056 3.610 ( 0.000 -0.000 1.455) 1.455 3.625 ( -0.000 0.000 -1.807) 1.807 4.527 ( 0.000 -0.000 1.601) 1.601 4.544 ( -0.000 0.000 -2.100) 2.100 4.937 ( 0.000 -0.000 0.646) 0.646 4.943 ( -0.000 0.000 -0.621) 0.621 8.731 ( 0.000 -0.000 2.360) 2.360 8.754 ( -0.000 0.000 -2.737) 2.737 9.119 ( 0.000 -0.000 3.778) 3.778 9.157 ( -0.000 0.000 -4.364) 4.364 9.544 ( 0.000 -0.000 2.907) 2.907 9.569 ( -0.000 0.000 -2.503) 2.503 9.676 ( 0.000 -0.000 0.903) 0.903 9.685 ( -0.000 0.000 -0.897) 0.897 10.027 ( 0.000 -0.000 1.891) 1.891 10.046 ( -0.000 0.000 -2.234) 2.234 10.130 ( 0.000 -0.000 0.386) 0.386 10.133 ( -0.000 0.000 -0.302) 0.302 10.154 ( 0.000 -0.000 0.379) 0.379 10.157 ( -0.000 0.000 -0.422) 0.422 10.254 ( 0.000 -0.000 0.881) 0.881 10.262 ( -0.000 0.000 -0.849) 0.849 ======================= Grid point 42 (25/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -10.198 -0.477 0.000) 10.209 0.424 ( -8.647 5.322 0.000) 10.154 0.545 ( -5.573 -2.163 0.000) 5.978 0.596 ( -5.380 3.568 0.000) 6.455 0.749 ( -10.477 -0.275 0.000) 10.480 0.796 ( -11.808 5.431 0.000) 12.997 1.010 ( -4.245 -2.242 0.000) 4.801 1.061 ( -6.332 3.937 0.000) 7.456 1.087 ( 0.082 -0.528 -0.000) 0.534 1.095 ( -0.182 0.475 0.000) 0.509 1.344 ( -1.745 -0.806 0.000) 1.922 1.363 ( -2.876 1.663 0.000) 3.322 1.515 ( 0.846 -2.884 -0.000) 3.006 1.535 ( -0.144 -0.506 -0.000) 0.526 1.682 ( 3.196 -1.280 -0.000) 3.443 1.686 ( 3.251 -0.184 -0.000) 3.256 1.728 ( 1.038 1.269 0.000) 1.639 1.749 ( 0.567 3.271 0.000) 3.319 1.767 ( 2.833 -1.183 -0.000) 3.071 1.786 ( 2.911 1.341 -0.000) 3.205 1.901 ( -0.551 -0.626 -0.000) 0.834 1.907 ( -1.270 0.116 0.000) 1.275 2.022 ( 2.417 -0.796 -0.000) 2.545 2.034 ( 2.757 0.598 -0.000) 2.821 2.405 ( 6.931 -0.206 -0.000) 6.934 2.406 ( 6.234 -0.077 -0.000) 6.235 2.537 ( 1.881 -0.749 -0.000) 2.024 2.553 ( 1.814 1.253 0.000) 2.205 3.067 ( 5.882 -0.317 -0.000) 5.891 3.074 ( 5.837 0.553 -0.000) 5.863 3.505 ( -5.443 0.117 0.000) 5.444 3.507 ( -5.463 0.297 0.000) 5.471 3.636 ( -1.773 0.496 0.000) 1.841 3.638 ( -1.915 0.815 0.000) 2.081 4.535 ( -0.038 -0.647 -0.000) 0.648 4.537 ( -0.162 -0.432 -0.000) 0.461 4.891 ( 3.702 -2.161 -0.000) 4.286 4.903 ( 3.280 -0.630 -0.000) 3.340 8.752 ( -1.292 -0.407 0.000) 1.354 8.759 ( -1.732 0.407 0.000) 1.779 9.193 ( -5.786 -2.546 0.000) 6.321 9.239 ( -7.359 3.117 0.000) 7.992 9.539 ( 1.135 -1.140 -0.000) 1.609 9.556 ( 0.246 1.023 0.000) 1.052 9.698 ( -2.324 -0.947 0.000) 2.509 9.707 ( -2.645 0.121 0.000) 2.648 9.946 ( 4.638 -2.341 -0.000) 5.196 9.976 ( 5.456 0.741 -0.000) 5.506 10.120 ( 0.219 -0.901 -0.000) 0.927 10.129 ( 0.409 0.354 0.000) 0.541 10.195 ( -3.668 -2.025 -0.000) 4.189 10.203 ( -1.857 -0.379 0.000) 1.895 10.253 ( 0.654 -0.454 -0.000) 0.796 10.309 ( -2.002 4.978 0.000) 5.366 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.125 ( -0.000 8.297 0.000) 8.297 0.220 ( -0.000 13.632 0.000) 13.632 0.326 ( -0.000 20.226 0.000) 20.226 0.664 ( -0.000 7.755 0.000) 7.755 0.711 ( -0.000 4.094 0.000) 4.094 0.866 ( -0.000 1.560 0.000) 1.560 0.878 ( 0.000 -1.275 -0.000) 1.275 0.980 ( 0.000 -1.045 -0.000) 1.045 1.099 ( -0.000 1.983 0.000) 1.983 1.202 ( -0.000 0.780 0.000) 0.780 1.270 ( -0.000 1.714 0.000) 1.714 1.393 ( 0.000 -0.551 -0.000) 0.551 1.539 ( 0.000 -0.313 -0.000) 0.313 1.564 ( 0.000 -0.596 -0.000) 0.596 1.645 ( 0.000 -1.562 -0.000) 1.562 1.703 ( 0.000 -0.382 -0.000) 0.382 1.718 ( 0.000 -1.962 -0.000) 1.962 1.734 ( 0.000 -1.446 -0.000) 1.446 1.812 ( -0.000 0.497 0.000) 0.497 1.899 ( 0.000 -0.277 -0.000) 0.277 1.941 ( 0.000 -0.879 -0.000) 0.879 1.951 ( 0.000 -0.522 -0.000) 0.522 2.056 ( 0.000 -0.237 -0.000) 0.237 2.113 ( 0.000 -1.894 -0.000) 1.894 2.443 ( -0.000 0.518 0.000) 0.518 2.482 ( -0.000 0.133 0.000) 0.133 2.518 ( 0.000 -0.151 -0.000) 0.151 2.620 ( 0.000 -0.547 -0.000) 0.547 3.093 ( -0.000 0.353 0.000) 0.353 3.146 ( 0.000 -0.085 -0.000) 0.085 3.444 ( -0.000 0.507 0.000) 0.507 3.493 ( -0.000 0.135 0.000) 0.135 3.677 ( -0.000 0.462 0.000) 0.462 3.692 ( -0.000 0.023 0.000) 0.023 4.501 ( 0.000 -0.349 -0.000) 0.349 4.592 ( 0.000 -1.625 -0.000) 1.625 4.716 ( 0.000 -0.327 -0.000) 0.327 4.906 ( 0.000 -1.780 -0.000) 1.780 8.690 ( -0.000 0.213 0.000) 0.213 8.818 ( 0.000 -0.836 -0.000) 0.836 9.056 ( -0.000 1.105 0.000) 1.105 9.282 ( 0.000 -0.673 -0.000) 0.673 9.582 ( -0.000 0.401 0.000) 0.401 9.619 ( -0.000 0.089 0.000) 0.089 9.642 ( 0.000 -0.964 -0.000) 0.964 9.650 ( 0.000 -0.898 -0.000) 0.898 9.743 ( -0.000 0.778 0.000) 0.778 10.078 ( 0.000 -3.227 -0.000) 3.227 10.117 ( 0.000 -0.232 -0.000) 0.232 10.124 ( 0.000 -0.659 -0.000) 0.659 10.167 ( -0.000 1.571 0.000) 1.571 10.173 ( -0.000 0.479 0.000) 0.479 10.297 ( -0.000 1.884 0.000) 1.884 10.463 ( -0.000 0.032 0.000) 0.032 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( -9.145 6.984 2.282) 11.731 0.327 ( -6.735 7.478 1.337) 10.152 0.653 ( -10.527 10.362 0.178) 14.772 0.677 ( -1.644 2.788 -1.273) 3.478 0.831 ( 0.576 -0.343 -0.446) 0.806 0.899 ( -9.260 6.501 -0.699) 11.335 0.942 ( -5.407 1.364 0.913) 5.651 0.980 ( -0.978 -1.145 0.924) 1.766 1.163 ( -4.157 3.337 -0.375) 5.344 1.182 ( 2.292 0.471 -0.327) 2.363 1.320 ( -3.057 2.485 -0.134) 3.942 1.391 ( 0.012 -1.644 0.410) 1.695 1.524 ( -0.489 -0.450 -3.449) 3.513 1.588 ( -0.749 -0.946 3.155) 3.378 1.638 ( -0.485 -2.166 -1.912) 2.930 1.667 ( 3.615 -3.576 0.602) 5.121 1.685 ( 1.659 -1.158 -0.093) 2.025 1.723 ( -0.415 -1.351 0.995) 1.728 1.833 ( -0.343 1.787 -0.142) 1.825 1.835 ( 4.701 3.448 -0.229) 5.834 1.918 ( 1.068 -0.349 -0.381) 1.186 1.930 ( 0.897 -0.930 -0.494) 1.384 2.016 ( 3.382 -0.365 -0.416) 3.427 2.029 ( 2.676 0.010 0.509) 2.724 2.364 ( 8.960 0.082 0.675) 8.986 2.399 ( 5.279 0.110 0.073) 5.280 2.554 ( 0.626 -0.111 -0.643) 0.905 2.564 ( 4.305 0.111 0.534) 4.340 3.082 ( 6.960 -0.153 -0.263) 6.966 3.094 ( 4.950 -1.639 -0.296) 5.222 3.487 ( -4.526 0.739 0.156) 4.589 3.551 ( -5.834 -1.207 -0.302) 5.966 3.684 ( -0.835 1.250 -1.105) 1.866 3.692 ( -1.220 0.588 -0.339) 1.396 4.497 ( -0.142 -0.618 -0.076) 0.638 4.573 ( 0.592 -1.976 -0.422) 2.106 4.711 ( 1.303 -0.576 2.715) 3.066 4.881 ( 1.164 -2.344 0.007) 2.617 8.710 ( -1.915 0.360 0.260) 1.966 8.815 ( -0.647 -0.964 -0.447) 1.244 9.232 ( -8.871 -6.628 -2.445) 11.340 9.302 ( -2.701 -1.535 1.661) 3.523 9.570 ( 1.134 0.423 -3.648) 3.843 9.609 ( -1.117 0.536 -0.771) 1.460 9.668 ( -2.681 -0.990 -0.104) 2.860 9.695 ( -3.381 -1.125 2.000) 4.086 9.756 ( 0.136 0.898 2.620) 2.773 10.032 ( 2.835 -3.287 -0.714) 4.399 10.104 ( 1.051 -0.182 0.026) 1.067 10.124 ( -0.914 -0.541 0.114) 1.068 10.180 ( -1.095 -0.023 0.006) 1.095 10.196 ( -1.523 0.051 0.078) 1.526 10.294 ( 2.097 2.259 -0.206) 3.089 10.437 ( 1.919 0.602 -1.336) 2.414 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -9.263 4.220 0.486) 10.190 0.536 ( -9.594 3.068 1.074) 10.130 0.752 ( -4.441 -0.790 -1.680) 4.813 0.772 ( -5.470 0.603 -0.378) 5.516 0.948 ( -7.593 2.740 0.952) 8.128 0.992 ( -2.720 -1.279 -0.487) 3.045 1.054 ( -4.490 -1.327 0.694) 4.733 1.065 ( -1.938 1.147 1.611) 2.769 1.153 ( -2.224 1.486 0.058) 2.675 1.249 ( -1.579 -0.255 0.774) 1.777 1.361 ( -1.479 -1.265 -2.950) 3.534 1.427 ( -1.678 0.270 3.805) 4.167 1.523 ( -1.284 -0.048 -3.419) 3.653 1.551 ( 2.045 -2.727 -0.601) 3.461 1.588 ( 2.256 -0.900 2.280) 3.332 1.605 ( 1.124 -0.827 -0.321) 1.431 1.677 ( -1.680 0.249 -2.018) 2.637 1.725 ( -0.016 -0.762 0.887) 1.169 1.781 ( 5.889 4.414 0.053) 7.360 1.860 ( 4.067 -0.618 -0.940) 4.219 1.878 ( 2.412 -1.257 0.455) 2.758 1.886 ( -1.474 2.196 -0.336) 2.666 1.964 ( 3.076 0.381 -0.075) 3.100 1.980 ( 3.617 1.646 0.128) 3.975 2.200 ( 8.541 -0.339 0.666) 8.573 2.271 ( 7.256 -1.047 -0.014) 7.331 2.459 ( 6.039 1.488 0.794) 6.270 2.527 ( 3.275 0.281 0.127) 3.290 2.896 ( 12.708 -0.028 -0.029) 12.708 2.911 ( 13.127 -0.306 -0.225) 13.132 3.627 ( -9.722 0.959 0.395) 9.777 3.659 ( -5.497 0.122 0.098) 5.499 3.727 ( -2.392 0.575 -0.468) 2.504 3.751 ( -7.389 -0.128 -1.380) 7.518 4.485 ( 1.300 -0.649 0.161) 1.462 4.531 ( 2.414 -1.633 -0.340) 2.934 4.686 ( 2.239 -0.265 1.924) 2.964 4.824 ( 2.904 -2.452 -0.302) 3.813 8.764 ( -3.287 0.362 0.161) 3.311 8.826 ( -1.366 -0.474 -0.100) 1.449 9.277 ( -3.527 -3.499 -3.175) 5.896 9.349 ( -2.344 -2.247 3.427) 4.721 9.545 ( 0.516 1.018 -2.124) 2.412 9.632 ( -0.977 1.545 -1.647) 2.460 9.723 ( -3.779 -0.789 0.254) 3.869 9.743 ( -0.669 -0.197 2.177) 2.286 9.788 ( -3.028 0.618 0.592) 3.146 9.939 ( 3.919 -1.995 -0.943) 4.497 10.094 ( 0.100 0.297 0.366) 0.482 10.135 ( -0.865 -1.398 -0.150) 1.651 10.200 ( -0.567 0.348 -0.404) 0.779 10.214 ( 0.259 0.415 0.237) 0.543 10.262 ( 1.785 1.137 -0.266) 2.133 10.388 ( 3.089 -0.768 -0.506) 3.223 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -2.731 0.571 0.320) 2.809 0.694 ( -6.206 -0.404 -4.018) 7.404 0.851 ( -5.563 -1.030 -0.239) 5.663 0.883 ( -7.757 -1.753 1.432) 8.081 0.998 ( 2.033 -1.029 0.421) 2.317 1.047 ( -6.121 -0.587 -1.184) 6.262 1.126 ( -7.018 -0.025 2.661) 7.506 1.146 ( -4.517 -2.010 2.420) 5.504 1.247 ( -3.515 -2.758 -0.023) 4.469 1.261 ( -5.013 -1.796 0.925) 5.404 1.330 ( 0.139 -2.771 -1.754) 3.283 1.415 ( 1.059 -0.093 2.741) 2.940 1.515 ( 1.853 0.027 -1.201) 2.209 1.551 ( 1.651 -0.896 -2.398) 3.047 1.580 ( -0.723 0.345 -0.369) 0.882 1.607 ( -1.311 1.636 0.711) 2.214 1.682 ( 6.734 2.343 0.909) 7.188 1.694 ( 0.480 0.124 -1.680) 1.752 1.719 ( 0.512 0.177 -1.669) 1.755 1.756 ( 5.092 0.292 1.408) 5.292 1.803 ( 7.080 0.794 -1.631) 7.309 1.865 ( 4.853 1.200 0.395) 5.014 1.927 ( 1.482 1.601 0.004) 2.182 1.963 ( 0.253 4.222 -0.699) 4.287 2.083 ( 3.375 -1.838 0.218) 3.849 2.154 ( 4.344 -1.195 0.386) 4.522 2.392 ( 3.412 2.274 1.514) 4.371 2.463 ( 3.741 0.615 -0.034) 3.791 2.649 ( 13.694 -0.055 0.007) 13.694 2.650 ( 14.245 -0.002 0.009) 14.245 3.744 ( -3.853 0.514 -0.045) 3.888 3.774 ( -3.067 0.212 -0.039) 3.075 3.845 ( -11.676 1.329 0.006) 11.752 3.927 ( -12.003 -0.580 -1.465) 12.106 4.430 ( 4.617 -0.493 0.091) 4.644 4.453 ( 5.074 -0.879 0.230) 5.155 4.648 ( 2.451 0.096 1.159) 2.713 4.741 ( 3.739 -1.983 -0.566) 4.270 8.818 ( -2.431 -0.265 -1.252) 2.747 8.863 ( -2.232 0.600 1.586) 2.803 9.293 ( -2.109 -2.124 -2.527) 3.918 9.382 ( -1.412 -1.737 3.591) 4.232 9.543 ( 0.335 2.147 -2.404) 3.241 9.657 ( -1.205 1.668 -0.612) 2.147 9.736 ( 0.869 -1.017 0.183) 1.351 9.779 ( -0.729 -0.429 1.199) 1.467 9.861 ( -3.606 -0.185 -0.932) 3.729 9.891 ( -2.010 0.117 0.507) 2.076 10.102 ( 0.616 0.322 0.143) 0.710 10.127 ( 0.279 -1.113 0.754) 1.373 10.150 ( 4.833 1.516 -0.867) 5.139 10.224 ( -0.087 0.679 -0.106) 0.692 10.267 ( -1.161 -0.164 -0.057) 1.174 10.317 ( 2.497 -2.136 -0.387) 3.308 ======================= Grid point 90 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -2.147 0.169 -0.414) 2.193 0.719 ( -2.234 -0.650 -3.656) 4.334 0.927 ( -3.300 -1.287 0.730) 3.617 0.970 ( 1.247 -0.929 1.240) 1.989 1.025 ( -6.643 -0.480 0.372) 6.671 1.156 ( -6.058 -2.423 -2.259) 6.905 1.189 ( -1.331 -0.843 4.729) 4.984 1.271 ( -6.658 -0.073 1.062) 6.743 1.288 ( -2.882 -0.424 -1.296) 3.188 1.339 ( -3.606 -1.149 -1.711) 4.154 1.387 ( -8.423 -1.018 -0.171) 8.486 1.432 ( 3.542 -0.246 -1.179) 3.741 1.438 ( 0.267 -0.305 -0.548) 0.682 1.489 ( 2.241 0.470 -1.105) 2.542 1.552 ( 5.481 2.454 0.505) 6.027 1.580 ( 4.045 1.128 0.620) 4.245 1.634 ( 2.448 0.064 2.320) 3.373 1.650 ( 1.526 -0.469 -0.611) 1.709 1.668 ( 3.214 1.103 0.298) 3.411 1.688 ( 3.095 0.761 -2.763) 4.218 1.745 ( -0.202 -0.147 -0.658) 0.704 1.768 ( 4.489 -0.554 0.057) 4.523 1.943 ( -1.914 0.920 -0.210) 2.134 2.012 ( -1.951 2.607 -0.546) 3.302 2.022 ( 2.062 -2.203 -0.424) 3.048 2.089 ( 3.150 -0.028 0.369) 3.171 2.371 ( 1.469 1.206 0.682) 2.019 2.408 ( 2.460 0.221 -0.241) 2.481 2.439 ( 7.200 0.044 0.011) 7.200 2.449 ( 6.599 -0.189 -0.002) 6.601 3.801 ( -2.026 0.028 -0.522) 2.092 3.816 ( -1.053 0.231 0.102) 1.083 4.048 ( -8.139 0.704 -1.099) 8.243 4.135 ( -11.164 -0.295 -0.868) 11.202 4.319 ( 6.990 0.081 0.640) 7.019 4.336 ( 6.344 -0.544 0.144) 6.369 4.618 ( 1.019 0.156 -0.133) 1.039 4.675 ( 1.339 -0.801 -0.096) 1.563 8.841 ( -1.116 -0.179 -1.187) 1.639 8.905 ( -0.633 0.399 1.250) 1.457 9.303 ( -1.542 -0.782 -1.348) 2.193 9.410 ( -1.193 -1.061 3.176) 3.555 9.536 ( 1.151 2.526 -2.657) 3.843 9.682 ( 0.697 -1.539 -2.317) 2.867 9.709 ( -0.757 0.491 1.128) 1.444 9.766 ( 1.077 -0.237 1.142) 1.588 9.937 ( -5.124 0.245 -0.505) 5.155 9.976 ( -4.796 0.493 0.880) 4.901 10.030 ( 5.455 -0.294 -0.661) 5.503 10.071 ( 5.035 0.422 0.639) 5.093 10.143 ( -0.645 0.296 0.111) 0.718 10.209 ( 0.518 -0.842 -0.976) 1.389 10.287 ( -0.203 -0.605 -0.089) 0.645 10.290 ( -1.247 0.284 0.191) 1.293 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.574 1.650 -1.880) 2.955 0.774 ( -2.261 2.021 0.069) 3.033 0.908 ( 4.040 -0.727 1.003) 4.226 0.957 ( -0.891 -1.660 2.319) 2.989 1.074 ( 1.796 0.949 -1.975) 2.834 1.168 ( 5.427 -0.443 -1.409) 5.625 1.246 ( -2.081 1.571 -2.814) 3.836 1.267 ( -1.626 0.030 -2.865) 3.295 1.337 ( 0.691 -0.682 -0.743) 1.223 1.377 ( 0.071 0.621 -1.242) 1.390 1.403 ( 5.093 2.114 0.533) 5.540 1.449 ( -3.435 1.452 0.784) 3.810 1.470 ( -1.356 0.718 1.809) 2.372 1.495 ( -1.957 -0.535 1.285) 2.401 1.512 ( 0.998 1.685 0.028) 1.959 1.539 ( -4.398 -1.215 -0.438) 4.583 1.600 ( 0.655 -2.305 -1.538) 2.848 1.633 ( 0.337 -0.315 -0.661) 0.806 1.673 ( -3.564 0.852 1.171) 3.847 1.676 ( -1.258 -0.432 1.674) 2.138 1.727 ( -0.054 -0.626 0.317) 0.704 1.753 ( -1.811 -1.566 -1.201) 2.678 1.913 ( 3.650 -0.568 0.214) 3.700 1.951 ( 5.314 -1.027 1.688) 5.670 2.066 ( -5.122 -0.236 -1.662) 5.390 2.089 ( -2.072 0.902 -0.813) 2.402 2.346 ( 1.324 -0.269 -0.990) 1.675 2.390 ( -1.226 -0.595 0.142) 1.370 2.440 ( -7.071 0.050 -0.504) 7.089 2.456 ( -6.970 0.192 0.036) 6.973 3.801 ( 2.455 0.045 -0.215) 2.465 3.807 ( 1.312 -0.262 -0.345) 1.382 4.026 ( 8.799 -0.442 -1.766) 8.986 4.141 ( 11.050 0.063 1.689) 11.179 4.323 ( -8.336 0.201 -0.823) 8.379 4.352 ( -6.638 0.345 -0.043) 6.647 4.616 ( -1.439 0.025 -1.683) 2.214 4.696 ( -3.314 0.374 0.756) 3.419 8.846 ( 0.023 0.110 -0.513) 0.525 8.893 ( 2.239 -0.243 0.075) 2.254 9.328 ( -1.475 0.528 0.080) 1.569 9.436 ( -0.615 -0.094 2.679) 2.750 9.521 ( 1.301 2.215 -2.028) 3.273 9.622 ( 1.466 -3.284 -1.981) 4.106 9.740 ( 0.143 0.595 0.516) 0.801 9.771 ( -2.027 0.110 0.386) 2.066 9.928 ( 4.757 -0.261 -0.393) 4.780 9.965 ( 5.525 -0.111 0.393) 5.540 10.037 ( -4.956 0.030 0.043) 4.956 10.068 ( -3.400 0.174 1.320) 3.652 10.143 ( -0.548 0.128 -2.234) 2.304 10.207 ( -0.460 -0.431 0.244) 0.676 10.285 ( 0.312 0.034 -0.320) 0.448 10.322 ( -1.407 0.926 0.798) 1.864 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.185 -0.171 -0.733) 6.230 0.672 ( 10.690 -0.785 -1.478) 10.820 0.898 ( 3.533 0.360 2.681) 4.450 0.934 ( 5.877 1.484 2.750) 6.656 1.023 ( 1.645 0.590 -2.712) 3.226 1.040 ( 3.429 -1.537 -3.175) 4.919 1.149 ( 7.115 1.950 -2.611) 7.826 1.232 ( 7.790 0.043 0.227) 7.793 1.264 ( 7.289 1.887 -1.254) 7.633 1.299 ( 5.595 -0.759 -0.483) 5.667 1.443 ( 2.310 3.600 -0.605) 4.320 1.463 ( 0.551 0.700 -1.493) 1.739 1.513 ( -1.569 -0.174 0.707) 1.730 1.540 ( -3.129 -4.273 -0.631) 5.334 1.576 ( -2.521 -0.308 -0.578) 2.604 1.590 ( -2.927 2.361 0.075) 3.761 1.607 ( -2.010 2.226 1.393) 3.307 1.641 ( -1.373 -2.300 1.687) 3.165 1.662 ( -5.266 -3.511 -0.112) 6.330 1.778 ( -5.247 0.924 2.648) 5.950 1.796 ( -6.796 0.570 0.040) 6.820 1.820 ( -5.199 -1.500 0.469) 5.432 1.872 ( 0.852 -0.826 0.333) 1.233 1.909 ( -1.639 -0.118 0.797) 1.827 2.120 ( -2.645 0.415 -1.732) 3.189 2.174 ( -6.162 0.171 -0.465) 6.182 2.342 ( -2.893 -0.583 -2.054) 3.596 2.442 ( -4.308 -0.326 0.373) 4.336 2.647 ( -14.464 -0.056 -0.182) 14.466 2.653 ( -13.289 0.064 -0.060) 13.289 3.733 ( 4.192 -0.121 -0.425) 4.215 3.765 ( 2.864 -0.159 0.204) 2.876 3.816 ( 11.882 -0.327 -1.142) 11.941 3.937 ( 11.713 0.082 1.795) 11.850 4.445 ( -4.926 0.260 -0.462) 4.954 4.476 ( -5.927 0.334 0.174) 5.939 4.651 ( -3.079 0.113 -2.533) 3.989 4.783 ( -4.801 0.478 0.727) 4.879 8.828 ( 3.564 0.276 -0.120) 3.576 8.844 ( 0.819 -0.377 -0.197) 0.923 9.354 ( -0.104 0.813 0.986) 1.282 9.458 ( 0.185 2.166 2.562) 3.360 9.507 ( 0.798 0.252 -0.531) 0.991 9.574 ( 0.033 -2.831 -1.207) 3.078 9.737 ( -0.388 -0.132 -1.644) 1.695 9.789 ( 1.904 0.026 -0.391) 1.944 9.866 ( 5.005 0.040 0.481) 5.028 9.887 ( -1.388 -0.088 0.898) 1.655 10.091 ( 0.264 -0.175 -0.241) 0.398 10.124 ( -4.182 -0.236 0.769) 4.259 10.183 ( -2.904 1.406 -0.742) 3.310 10.206 ( -0.035 -0.564 -0.425) 0.707 10.270 ( 1.196 0.059 -0.414) 1.268 10.359 ( -1.251 0.404 1.382) 1.907 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 12.379 -0.000 -3.795) 12.948 0.516 ( 9.154 -0.000 -0.495) 9.168 0.768 ( 11.477 -0.000 5.406) 12.687 0.829 ( 4.859 -0.000 2.502) 5.465 0.877 ( 12.652 0.000 -6.052) 14.025 0.982 ( 3.882 0.000 -2.119) 4.423 1.046 ( 8.997 -0.000 0.134) 8.998 1.102 ( 10.612 -0.000 -0.555) 10.627 1.136 ( -1.917 0.000 0.420) 1.962 1.183 ( 4.680 -0.000 -0.007) 4.680 1.360 ( 5.331 -0.000 -0.704) 5.377 1.411 ( -0.178 0.000 -0.611) 0.637 1.523 ( -0.042 -0.000 0.691) 0.692 1.617 ( 0.579 -0.000 0.372) 0.688 1.637 ( -4.081 0.000 -0.454) 4.106 1.638 ( -3.782 0.000 0.993) 3.910 1.659 ( -2.463 0.000 0.483) 2.510 1.677 ( -2.207 0.000 -0.007) 2.207 1.736 ( -2.366 0.000 0.208) 2.375 1.815 ( 0.321 -0.000 1.807) 1.835 1.909 ( -2.841 0.000 0.687) 2.923 1.923 ( -4.267 0.000 0.844) 4.350 1.937 ( -6.303 0.000 -0.278) 6.309 1.942 ( -2.718 0.000 -0.548) 2.772 2.208 ( -7.891 0.000 -1.635) 8.059 2.288 ( -6.630 0.000 -0.019) 6.630 2.432 ( -7.359 0.000 -0.999) 7.427 2.521 ( -3.598 0.000 0.377) 3.618 2.897 ( -12.693 0.000 0.041) 12.693 2.917 ( -14.184 0.000 0.538) 14.194 3.610 ( 9.662 -0.000 -0.502) 9.675 3.659 ( 3.507 -0.000 -0.269) 3.517 3.715 ( 2.460 -0.000 0.517) 2.514 3.752 ( 9.290 -0.000 2.266) 9.563 4.502 ( -1.507 0.000 -0.255) 1.529 4.562 ( -3.096 0.000 0.609) 3.156 4.695 ( -2.888 0.000 -3.329) 4.407 4.864 ( -3.412 0.000 0.264) 3.422 8.758 ( 3.486 -0.000 -0.459) 3.516 8.834 ( 0.620 -0.000 0.609) 0.869 9.345 ( 2.033 -0.000 1.474) 2.512 9.473 ( 1.030 0.000 -1.649) 1.944 9.502 ( -0.176 -0.000 6.768) 6.770 9.573 ( -1.385 0.000 -0.381) 1.437 9.731 ( 3.305 -0.000 -0.447) 3.335 9.740 ( -1.252 0.000 -3.890) 4.087 9.784 ( 4.026 -0.000 0.231) 4.033 9.959 ( -4.829 0.000 1.195) 4.975 10.088 ( -0.525 0.000 -0.511) 0.733 10.164 ( 1.248 -0.000 1.158) 1.702 10.212 ( -2.923 0.000 -0.625) 2.989 10.235 ( 0.525 -0.000 0.246) 0.580 10.244 ( -0.372 0.000 -0.716) 0.807 10.382 ( -0.399 -0.000 2.089) 2.126 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 13.194 -0.000 -0.000) 13.194 0.514 ( 9.230 -0.000 -0.000) 9.230 0.815 ( 14.702 -0.000 -0.000) 14.702 0.827 ( 8.920 -0.000 -0.000) 8.920 0.842 ( 4.471 -0.000 -0.000) 4.471 0.971 ( 3.825 -0.000 -0.000) 3.825 1.046 ( 9.127 -0.000 -0.000) 9.127 1.099 ( 11.639 -0.000 -0.000) 11.639 1.138 ( -2.574 0.000 0.000) 2.574 1.183 ( 4.432 -0.000 -0.000) 4.432 1.357 ( 5.373 -0.000 -0.000) 5.373 1.408 ( -0.507 0.000 0.000) 0.507 1.526 ( -0.492 0.000 0.000) 0.492 1.619 ( 1.194 -0.000 -0.000) 1.194 1.635 ( -4.108 0.000 0.000) 4.108 1.643 ( -3.875 0.000 0.000) 3.875 1.659 ( -3.457 0.000 0.000) 3.457 1.679 ( -1.451 0.000 0.000) 1.451 1.737 ( -2.260 0.000 0.000) 2.260 1.823 ( 0.947 -0.000 -0.000) 0.947 1.913 ( -3.020 0.000 0.000) 3.020 1.928 ( -6.509 0.000 0.000) 6.509 1.935 ( -6.345 0.000 0.000) 6.345 1.938 ( -0.356 0.000 0.000) 0.356 2.201 ( -7.915 0.000 0.000) 7.915 2.288 ( -6.617 0.000 0.000) 6.617 2.428 ( -7.716 0.000 0.000) 7.716 2.522 ( -3.610 0.000 0.000) 3.610 2.898 ( -12.734 0.000 0.000) 12.734 2.919 ( -14.468 0.000 0.000) 14.468 3.608 ( 9.589 -0.000 -0.000) 9.589 3.658 ( 3.483 -0.000 -0.000) 3.483 3.718 ( 2.355 -0.000 -0.000) 2.355 3.763 ( 8.873 -0.000 -0.000) 8.873 4.501 ( -1.527 0.000 0.000) 1.527 4.565 ( -3.227 0.000 0.000) 3.227 4.679 ( -2.230 0.000 0.000) 2.230 4.866 ( -3.324 0.000 0.000) 3.324 8.756 ( 3.517 -0.000 -0.000) 3.517 8.836 ( 0.474 -0.000 -0.000) 0.474 9.352 ( 1.795 -0.000 -0.000) 1.795 9.465 ( 1.140 -0.000 -0.000) 1.140 9.542 ( -1.737 0.000 0.000) 1.737 9.565 ( -2.076 0.000 0.000) 2.076 9.719 ( 0.177 -0.000 -0.000) 0.177 9.729 ( 3.293 -0.000 -0.000) 3.293 9.785 ( 4.080 -0.000 -0.000) 4.080 9.964 ( -4.922 0.000 0.000) 4.922 10.085 ( -0.493 0.000 0.000) 0.493 10.169 ( 1.967 -0.000 -0.000) 1.967 10.209 ( -3.752 0.000 0.000) 3.752 10.238 ( 1.953 -0.000 -0.000) 1.953 10.239 ( -1.865 0.000 0.000) 1.865 10.393 ( -0.919 0.000 0.000) 0.919 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.170 ( -0.000 6.622 7.907) 10.314 0.236 ( -0.000 12.717 3.323) 13.144 0.350 ( -0.000 18.223 5.203) 18.951 0.648 ( -0.000 7.826 -3.339) 8.508 0.699 ( -0.000 4.304 -2.653) 5.056 0.867 ( 0.000 -1.227 -1.222) 1.732 0.881 ( -0.000 1.707 2.055) 2.671 0.985 ( 0.000 -0.963 1.146) 1.497 1.088 ( -0.000 2.952 -1.939) 3.532 1.195 ( 0.000 0.706 -1.536) 1.690 1.275 ( -0.000 1.670 0.890) 1.892 1.390 ( 0.000 -0.436 -0.655) 0.787 1.506 ( 0.000 -1.861 -2.984) 3.517 1.619 ( -0.000 -1.158 6.967) 7.062 1.631 ( 0.000 -1.784 -2.895) 3.401 1.701 ( 0.000 -0.926 -0.125) 0.934 1.727 ( 0.000 -0.928 1.407) 1.686 1.733 ( 0.000 -1.389 -0.243) 1.410 1.815 ( -0.000 0.404 0.558) 0.688 1.893 ( 0.000 0.188 -1.678) 1.689 1.925 ( -0.000 2.670 -4.543) 5.270 1.936 ( 0.000 -0.743 -1.075) 1.306 2.054 ( 0.000 -0.290 -0.236) 0.374 2.078 ( 0.000 1.184 -4.337) 4.496 2.444 ( -0.000 0.584 0.288) 0.651 2.501 ( -0.000 -1.273 2.671) 2.959 2.515 ( 0.000 -0.113 -0.593) 0.604 2.616 ( 0.000 -0.448 -0.889) 0.996 3.094 ( -0.000 0.354 0.292) 0.459 3.145 ( 0.000 -0.037 -0.276) 0.278 3.446 ( -0.000 0.532 0.226) 0.578 3.491 ( 0.000 0.177 -0.430) 0.465 3.659 ( -0.000 3.072 -4.669) 5.589 3.674 ( -0.000 0.511 -0.809) 0.956 4.498 ( 0.000 -0.538 -0.204) 0.576 4.587 ( 0.000 -1.563 -1.094) 1.908 4.790 ( 0.000 -6.630 10.884) 12.745 4.907 ( 0.000 -1.831 0.217) 1.844 8.692 ( -0.000 0.207 0.535) 0.573 8.813 ( 0.000 -0.781 -1.167) 1.404 9.061 ( -0.000 1.148 1.104) 1.593 9.278 ( 0.000 -0.240 -1.328) 1.349 9.521 ( -0.000 3.357 -5.363) 6.327 9.616 ( 0.000 0.070 -0.752) 0.755 9.651 ( 0.000 -0.914 0.256) 0.950 9.680 ( 0.000 -2.459 1.780) 3.035 9.800 ( -0.000 -4.483 10.020) 10.977 10.072 ( 0.000 -3.203 -1.289) 3.453 10.118 ( 0.000 -0.263 0.114) 0.287 10.125 ( 0.000 -0.699 0.158) 0.717 10.167 ( -0.000 1.571 0.118) 1.575 10.174 ( -0.000 0.500 0.202) 0.539 10.296 ( -0.000 1.960 -0.118) 1.964 10.418 ( -0.000 4.619 -7.614) 8.906 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -7.718 6.777 3.417) 10.824 0.358 ( -5.918 6.138 5.628) 10.217 0.649 ( -3.405 6.840 -2.508) 8.041 0.662 ( -7.421 5.538 -0.443) 9.270 0.821 ( -2.286 1.307 -1.823) 3.203 0.894 ( -8.537 5.460 -0.118) 10.134 0.953 ( -4.230 0.841 1.472) 4.557 0.996 ( -1.669 -0.501 2.401) 2.966 1.156 ( -4.047 3.118 -1.171) 5.241 1.175 ( 1.135 0.833 -1.207) 1.854 1.319 ( -2.206 1.534 0.118) 2.689 1.397 ( -1.098 -0.500 0.721) 1.405 1.489 ( -1.097 -0.925 -3.576) 3.853 1.608 ( 0.119 -2.636 -2.699) 3.774 1.622 ( 0.404 -0.770 1.870) 2.062 1.675 ( 3.551 -2.529 0.966) 4.465 1.684 ( 1.875 -1.719 0.293) 2.561 1.736 ( -0.244 -0.813 1.697) 1.897 1.827 ( 4.435 4.173 -0.883) 6.153 1.834 ( -0.628 1.446 -0.049) 1.578 1.912 ( 1.014 -0.342 -0.879) 1.385 1.922 ( 0.641 -0.734 -1.132) 1.493 2.012 ( 2.479 -0.449 -0.296) 2.537 2.034 ( 2.806 -0.084 0.464) 2.846 2.374 ( 8.972 -0.175 1.401) 9.083 2.400 ( 5.494 0.056 0.186) 5.497 2.546 ( 1.735 -0.263 -0.856) 1.952 2.569 ( 2.815 0.569 0.544) 2.922 3.077 ( 6.238 -0.329 -0.712) 6.287 3.090 ( 5.575 -0.747 -0.487) 5.646 3.489 ( -4.574 0.771 0.451) 4.661 3.546 ( -5.883 -0.878 -0.864) 6.010 3.668 ( -1.255 1.879 -1.889) 2.945 3.686 ( -1.280 0.680 -0.921) 1.718 4.497 ( -0.343 -0.741 0.158) 0.831 4.565 ( 0.452 -1.823 -1.161) 2.208 4.751 ( 2.754 -2.097 5.326) 6.352 4.881 ( 1.297 -2.416 -0.033) 2.742 8.715 ( -1.880 0.328 0.761) 2.055 8.807 ( -0.833 -0.807 -1.240) 1.698 9.203 ( -7.256 -4.136 -3.170) 8.933 9.316 ( -4.458 -1.383 0.725) 4.723 9.529 ( -0.334 1.559 -3.907) 4.220 9.601 ( 0.135 0.415 -0.976) 1.069 9.669 ( -2.641 -0.951 0.312) 2.824 9.706 ( -3.282 -1.463 0.359) 3.611 9.798 ( 1.406 -0.662 5.620) 5.830 10.020 ( 2.809 -3.125 -1.912) 4.616 10.104 ( 0.716 -0.474 -0.008) 0.858 10.126 ( -0.581 -0.357 0.285) 0.739 10.180 ( -1.030 0.129 0.036) 1.038 10.197 ( -1.402 0.031 0.176) 1.413 10.290 ( 2.212 2.334 -0.557) 3.263 10.417 ( 0.758 1.741 -2.667) 3.274 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -7.585 2.672 0.733) 8.076 0.549 ( -8.723 3.139 1.711) 9.427 0.734 ( -6.318 -0.372 -2.059) 6.655 0.765 ( -4.706 1.879 -1.017) 5.168 0.958 ( -7.918 1.125 0.887) 8.047 0.989 ( -2.186 -1.648 -0.028) 2.738 1.062 ( -4.366 -1.639 1.066) 4.784 1.085 ( -2.502 1.876 2.527) 4.021 1.153 ( -2.991 1.711 -0.015) 3.446 1.257 ( -2.194 -0.073 0.740) 2.316 1.340 ( -1.353 -1.854 -1.385) 2.681 1.458 ( -1.384 0.327 2.511) 2.886 1.489 ( -2.149 -0.276 -3.168) 3.838 1.546 ( 1.457 -2.390 -0.421) 2.831 1.598 ( 1.790 -1.254 -0.553) 2.254 1.607 ( 2.505 -0.264 0.996) 2.708 1.659 ( -1.210 0.201 -1.488) 1.928 1.730 ( 0.894 -0.584 0.184) 1.084 1.781 ( 5.792 3.963 -0.077) 7.019 1.850 ( 2.653 1.143 -1.097) 3.090 1.880 ( 1.003 0.516 -0.253) 1.156 1.884 ( 0.961 -0.109 0.256) 1.001 1.963 ( 3.461 0.288 -0.110) 3.474 1.982 ( 3.678 1.774 0.195) 4.088 2.208 ( 8.659 -0.952 0.919) 8.760 2.271 ( 7.174 -0.940 0.033) 7.235 2.468 ( 5.207 1.210 1.160) 5.470 2.528 ( 3.617 0.731 0.207) 3.696 2.896 ( 12.585 0.002 -0.095) 12.586 2.908 ( 13.012 -0.200 -0.284) 13.016 3.632 ( -9.773 0.832 0.753) 9.837 3.660 ( -5.904 0.073 0.190) 5.907 3.721 ( -2.674 0.533 -0.885) 2.867 3.735 ( -6.948 0.323 -2.019) 7.242 4.488 ( 1.286 -0.733 0.352) 1.522 4.526 ( 2.135 -1.425 -0.596) 2.635 4.709 ( 2.812 -1.006 2.911) 4.171 4.820 ( 3.074 -2.409 -0.624) 3.955 8.765 ( -2.854 0.059 0.217) 2.863 8.825 ( -1.984 -0.056 -0.108) 1.988 9.250 ( -3.534 -2.927 -2.623) 5.286 9.379 ( -2.551 -1.581 2.940) 4.201 9.521 ( 0.104 1.011 -2.942) 3.112 9.617 ( -1.286 1.438 -1.382) 2.373 9.726 ( -3.845 -0.813 0.474) 3.959 9.758 ( -2.120 -1.247 0.784) 2.581 9.801 ( -0.625 0.998 2.361) 2.638 9.927 ( 3.608 -1.697 -1.737) 4.349 10.099 ( -0.195 0.079 0.592) 0.628 10.133 ( -0.659 -1.051 -0.287) 1.273 10.196 ( 0.355 0.448 -0.502) 0.761 10.216 ( -0.335 0.264 0.231) 0.485 10.259 ( 1.422 0.918 -0.381) 1.735 10.382 ( 2.901 -0.336 -0.708) 3.005 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.918 -1.427 -3.715) 6.326 0.673 ( -2.921 -0.511 0.306) 2.981 0.850 ( -5.626 -0.090 0.105) 5.628 0.892 ( -8.182 -0.615 0.347) 8.213 1.001 ( 0.819 -0.935 0.304) 1.280 1.043 ( -5.902 -2.046 0.056) 6.247 1.140 ( -7.201 -2.888 0.796) 7.800 1.174 ( -4.856 0.288 3.186) 5.814 1.247 ( -3.313 -2.234 -0.094) 3.997 1.271 ( -3.840 -1.945 1.285) 4.493 1.325 ( -0.424 -3.232 0.959) 3.398 1.429 ( 0.860 0.283 0.042) 0.906 1.507 ( 3.451 -0.709 -0.396) 3.545 1.529 ( 0.755 -0.742 -1.880) 2.158 1.576 ( -0.751 0.279 -0.415) 0.903 1.612 ( -0.941 1.769 0.377) 2.038 1.678 ( -0.174 0.593 -1.803) 1.906 1.689 ( 5.031 1.889 0.108) 5.375 1.698 ( 2.307 0.603 -2.115) 3.187 1.768 ( 5.891 0.243 1.137) 6.005 1.790 ( 7.124 0.090 -0.960) 7.189 1.868 ( 4.128 1.463 0.401) 4.398 1.927 ( 1.480 1.707 -0.051) 2.260 1.956 ( 0.660 4.542 -0.752) 4.651 2.086 ( 3.545 -2.317 0.215) 4.240 2.158 ( 4.140 -1.160 0.433) 4.321 2.408 ( 3.468 1.849 1.801) 4.323 2.462 ( 3.971 0.870 -0.205) 4.070 2.649 ( 13.818 -0.014 -0.021) 13.818 2.650 ( 13.991 -0.127 0.042) 13.992 3.743 ( -3.645 0.256 -0.039) 3.654 3.773 ( -3.086 0.342 -0.054) 3.105 3.845 ( -11.684 0.690 0.150) 11.705 3.912 ( -12.237 -0.292 -1.781) 12.370 4.430 ( 4.639 -0.660 0.068) 4.686 4.456 ( 4.837 -0.693 0.291) 4.895 4.660 ( 2.851 -0.565 1.450) 3.248 4.735 ( 3.724 -1.771 -0.808) 4.202 8.807 ( -2.183 -0.542 -0.930) 2.434 8.876 ( -2.466 0.878 1.336) 2.939 9.273 ( -2.352 -2.096 -1.757) 3.607 9.414 ( -1.141 -1.164 3.350) 3.726 9.518 ( 0.174 1.811 -2.849) 3.380 9.650 ( -1.711 1.254 -0.841) 2.282 9.738 ( 1.377 -1.898 0.276) 2.361 9.790 ( -0.613 0.088 1.135) 1.293 9.854 ( -3.003 -0.129 -0.724) 3.092 9.895 ( -2.911 0.553 0.263) 2.974 10.104 ( 1.447 0.368 0.359) 1.535 10.135 ( -0.890 -1.112 0.800) 1.634 10.141 ( 4.528 1.331 -1.044) 4.833 10.223 ( 0.582 0.504 -0.201) 0.795 10.266 ( -1.279 -0.227 -0.061) 1.300 10.313 ( 2.509 -1.860 -0.441) 3.154 ======================= Grid point 100 (39/125) ======================= q-point: ( 0.67 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.032 -1.108 -2.707) 4.212 0.696 ( -2.764 -1.048 -0.734) 3.046 0.939 ( -3.555 0.399 1.967) 4.082 0.983 ( 0.984 -1.013 1.411) 1.996 1.021 ( -5.423 -0.227 -1.389) 5.602 1.142 ( -5.817 -3.730 -0.960) 6.976 1.232 ( -1.562 -1.206 4.298) 4.729 1.261 ( 0.597 -0.293 -3.084) 3.155 1.279 ( -7.338 -0.998 -0.161) 7.408 1.332 ( -2.820 -0.951 -0.063) 2.977 1.391 ( -7.786 -2.160 0.798) 8.120 1.424 ( 2.286 -0.225 -0.332) 2.320 1.437 ( 0.726 0.167 0.064) 0.748 1.477 ( 0.595 0.533 -1.457) 1.662 1.555 ( 5.151 2.388 0.285) 5.685 1.587 ( 3.791 1.496 0.616) 4.122 1.631 ( 3.510 0.167 -2.819) 4.505 1.644 ( 2.089 -0.107 -0.630) 2.185 1.673 ( 0.968 0.210 0.764) 1.251 1.681 ( 2.790 1.154 1.244) 3.265 1.738 ( -0.708 0.009 -0.917) 1.159 1.767 ( 5.038 -0.912 -0.195) 5.124 1.941 ( -2.102 0.496 -0.190) 2.168 2.007 ( -2.101 2.950 -0.457) 3.650 2.018 ( 2.422 -2.337 -0.287) 3.378 2.092 ( 3.387 -0.317 0.286) 3.414 2.378 ( 2.104 0.937 0.701) 2.407 2.406 ( 2.380 0.282 -0.325) 2.418 2.439 ( 7.352 -0.072 -0.000) 7.352 2.448 ( 6.576 -0.163 -0.003) 6.578 3.797 ( -2.064 -0.177 -0.411) 2.112 3.817 ( -0.990 0.171 0.053) 1.006 4.038 ( -7.778 -0.275 -0.950) 7.841 4.127 ( -11.567 0.140 -0.757) 11.592 4.325 ( 5.949 -0.036 0.507) 5.971 4.337 ( 7.202 -0.466 0.169) 7.219 4.616 ( 1.608 -0.472 -0.178) 1.686 4.675 ( 0.955 -0.484 -0.047) 1.072 8.832 ( -1.378 -0.488 -0.814) 1.673 8.915 ( -0.132 0.605 0.871) 1.069 9.294 ( -2.122 -0.944 -0.716) 2.430 9.439 ( -0.629 -0.304 2.965) 3.046 9.512 ( 0.671 1.841 -2.643) 3.290 9.661 ( 0.889 -2.343 -1.988) 3.199 9.719 ( -1.300 0.743 0.993) 1.796 9.774 ( 1.616 0.051 0.622) 1.732 9.933 ( -5.299 0.071 -0.341) 5.310 9.984 ( -4.876 0.760 0.729) 4.988 10.025 ( 5.570 -0.309 -0.360) 5.590 10.073 ( 4.678 1.029 -0.034) 4.790 10.147 ( 0.702 -0.655 0.783) 1.239 10.199 ( -0.341 -0.859 -1.201) 1.515 10.286 ( -0.118 -0.635 -0.094) 0.653 10.292 ( -1.459 0.451 0.155) 1.535 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.791 1.169 -1.195) 1.850 0.775 ( -3.398 1.161 0.006) 3.591 0.918 ( 5.409 -0.621 1.127) 5.560 0.979 ( -0.386 -0.911 2.409) 2.604 1.052 ( 1.211 0.724 -2.651) 3.003 1.153 ( 6.861 -0.080 -1.480) 7.020 1.224 ( 1.148 1.656 -1.852) 2.737 1.246 ( -5.185 -1.003 -1.560) 5.506 1.335 ( -0.033 -1.468 0.155) 1.476 1.367 ( 0.235 0.674 -0.767) 1.048 1.407 ( 4.472 1.790 0.402) 4.833 1.454 ( 0.054 2.686 0.311) 2.705 1.486 ( -1.436 0.636 1.365) 2.081 1.505 ( -0.543 -0.040 0.761) 0.936 1.514 ( -2.075 1.144 0.413) 2.405 1.536 ( -4.396 -1.348 -0.256) 4.605 1.587 ( 0.132 -2.752 -1.079) 2.959 1.624 ( -0.956 -0.172 -1.106) 1.473 1.674 ( -2.768 1.173 0.015) 3.006 1.699 ( -1.752 -0.459 2.267) 2.902 1.730 ( -0.812 -0.982 0.195) 1.289 1.742 ( -0.853 -1.716 -1.286) 2.308 1.915 ( 2.986 -0.408 0.205) 3.020 1.966 ( 5.524 -0.794 1.264) 5.722 2.052 ( -6.136 -0.985 -1.323) 6.354 2.083 ( -1.375 1.008 -0.548) 1.791 2.339 ( 1.990 -0.254 -0.549) 2.080 2.391 ( -1.358 -0.612 0.055) 1.490 2.436 ( -7.057 -0.053 -0.340) 7.065 2.456 ( -6.923 0.186 -0.003) 6.926 3.800 ( 2.646 -0.099 -0.115) 2.650 3.804 ( 1.023 -0.291 -0.247) 1.092 4.014 ( 8.513 -0.806 -0.980) 8.608 4.153 ( 11.031 0.041 0.926) 11.070 4.317 ( -8.653 0.198 -0.458) 8.667 4.351 ( -6.484 0.355 -0.086) 6.494 4.604 ( -1.025 -0.229 -1.009) 1.456 4.701 ( -3.475 0.418 0.380) 3.520 8.842 ( -0.435 -0.232 -0.311) 0.583 8.894 ( 2.785 0.031 0.022) 2.785 9.330 ( -2.073 0.207 0.274) 2.101 9.457 ( 0.540 1.962 1.757) 2.688 9.505 ( -0.028 0.619 -1.200) 1.351 9.605 ( 1.118 -3.631 -1.599) 4.121 9.744 ( 1.128 0.178 0.362) 1.197 9.774 ( -2.212 0.535 0.184) 2.283 9.925 ( 4.479 -0.383 -0.207) 4.500 9.968 ( 5.410 0.082 0.190) 5.414 10.038 ( -4.870 -0.025 0.082) 4.871 10.081 ( -3.683 0.442 1.438) 3.978 10.123 ( -0.008 -0.197 -1.963) 1.973 10.208 ( -0.568 -0.524 0.071) 0.776 10.282 ( 0.369 -0.055 -0.157) 0.405 10.328 ( -1.668 1.045 0.450) 2.019 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 5.846 -0.335 -0.215) 5.859 0.661 ( 11.883 -1.077 -0.713) 11.953 0.920 ( 0.725 1.001 1.732) 2.128 0.959 ( 7.340 2.287 2.421) 8.060 0.998 ( 1.142 -0.355 -2.441) 2.718 1.014 ( 5.687 -2.152 -1.945) 6.384 1.132 ( 5.309 1.972 -0.965) 5.745 1.237 ( 8.376 -0.464 0.542) 8.407 1.253 ( 6.220 2.497 -0.958) 6.770 1.296 ( 6.005 -0.597 -0.150) 6.037 1.440 ( 0.962 3.134 -0.031) 3.279 1.453 ( 2.757 0.821 -0.652) 2.950 1.519 ( -0.928 -0.593 0.499) 1.209 1.535 ( -4.755 -4.265 -0.446) 6.404 1.572 ( -2.398 -0.382 -0.199) 2.436 1.590 ( -1.921 2.973 -0.028) 3.540 1.617 ( -2.555 2.040 0.543) 3.314 1.653 ( -1.231 -2.582 0.845) 2.982 1.661 ( -5.545 -3.259 -0.240) 6.436 1.790 ( -6.779 1.696 0.304) 6.994 1.798 ( -7.000 0.056 0.332) 7.008 1.824 ( -5.670 -1.421 0.313) 5.854 1.876 ( 2.464 -1.042 0.378) 2.702 1.915 ( -1.605 0.047 0.316) 1.636 2.109 ( -2.302 0.268 -0.710) 2.424 2.170 ( -6.680 0.101 -0.244) 6.685 2.328 ( -2.584 -0.576 -0.772) 2.758 2.444 ( -4.405 -0.308 0.104) 4.417 2.646 ( -14.689 -0.088 -0.069) 14.690 2.653 ( -13.287 0.073 -0.026) 13.287 3.730 ( 4.191 -0.151 -0.148) 4.196 3.766 ( 2.692 -0.148 0.061) 2.696 3.809 ( 11.728 -0.416 -0.397) 11.742 3.949 ( 11.417 0.098 0.675) 11.437 4.442 ( -4.963 0.235 -0.166) 4.972 4.477 ( -6.136 0.362 0.053) 6.147 4.635 ( -2.637 -0.008 -0.970) 2.810 4.787 ( -4.777 0.477 0.232) 4.806 8.827 ( 4.008 -0.024 -0.055) 4.008 8.843 ( 0.245 -0.073 -0.068) 0.265 9.361 ( -0.510 0.425 0.517) 0.842 9.469 ( 1.513 4.664 0.080) 4.904 9.513 ( -1.002 -0.825 1.373) 1.889 9.561 ( -0.570 -3.859 -1.244) 4.095 9.727 ( 0.497 -0.154 -0.620) 0.809 9.786 ( 2.218 0.014 -0.152) 2.223 9.869 ( 5.143 -0.018 0.175) 5.146 9.893 ( -1.988 0.037 0.329) 2.016 10.089 ( 0.655 -0.190 -0.090) 0.688 10.129 ( -4.792 -0.220 0.330) 4.808 10.178 ( -3.206 1.422 -0.292) 3.519 10.203 ( 0.388 -0.644 -0.194) 0.777 10.267 ( 1.213 -0.020 -0.126) 1.219 10.367 ( -1.526 0.538 0.509) 1.696 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( -0.000 8.062 7.282) 10.864 0.276 ( -0.000 10.908 5.211) 12.089 0.420 ( -0.000 11.976 9.641) 15.375 0.608 ( -0.000 8.038 -4.954) 9.442 0.666 ( -0.000 5.095 -4.338) 6.692 0.845 ( 0.000 -1.122 -3.555) 3.728 0.909 ( -0.000 2.148 3.630) 4.218 1.001 ( -0.000 -0.728 2.271) 2.385 1.069 ( -0.000 2.981 -2.079) 3.635 1.174 ( 0.000 0.495 -2.864) 2.906 1.287 ( -0.000 1.585 1.695) 2.321 1.381 ( 0.000 -0.133 -1.280) 1.287 1.490 ( 0.000 -3.357 -0.763) 3.442 1.598 ( 0.000 -2.061 -4.153) 4.636 1.676 ( -0.000 -1.485 5.352) 5.555 1.702 ( 0.000 -1.194 0.237) 1.217 1.730 ( 0.000 -1.107 -0.356) 1.163 1.740 ( -0.000 0.232 1.297) 1.317 1.821 ( -0.000 0.276 0.669) 0.724 1.859 ( -0.000 4.845 -4.484) 6.601 1.902 ( -0.000 1.096 -0.988) 1.475 1.922 ( 0.000 -0.408 -1.820) 1.865 2.052 ( 0.000 -0.405 -0.340) 0.529 2.054 ( 0.000 0.606 -1.329) 1.461 2.449 ( -0.000 0.551 0.741) 0.923 2.507 ( 0.000 -0.006 -1.087) 1.087 2.520 ( 0.000 -0.989 1.720) 1.984 2.604 ( 0.000 -0.207 -1.603) 1.616 3.098 ( -0.000 0.362 0.586) 0.689 3.141 ( 0.000 0.129 -0.692) 0.704 3.449 ( -0.000 0.596 0.431) 0.735 3.486 ( 0.000 0.290 -0.765) 0.818 3.629 ( -0.000 3.216 -1.917) 3.744 3.663 ( 0.000 0.651 -1.403) 1.546 4.499 ( 0.000 -0.871 0.483) 0.996 4.573 ( 0.000 -1.408 -1.868) 2.339 4.866 ( 0.000 -7.119 5.518) 9.007 4.910 ( 0.000 -1.989 0.320) 2.014 8.700 ( -0.000 0.180 1.103) 1.118 8.798 ( 0.000 -0.628 -2.065) 2.158 9.076 ( -0.000 1.267 2.166) 2.509 9.254 ( 0.000 1.060 -3.816) 3.960 9.502 ( -0.000 1.452 0.527) 1.545 9.606 ( 0.000 0.012 -1.461) 1.461 9.654 ( 0.000 -0.964 0.493) 1.083 9.685 ( 0.000 -1.677 -0.182) 1.687 9.881 ( 0.000 -6.692 7.201) 9.831 10.055 ( 0.000 -3.247 -2.201) 3.923 10.119 ( 0.000 -0.341 0.201) 0.396 10.126 ( 0.000 -0.728 0.104) 0.736 10.169 ( -0.000 1.570 0.212) 1.584 10.176 ( -0.000 0.624 0.199) 0.655 10.295 ( -0.000 2.205 -0.167) 2.212 10.355 ( -0.000 6.894 -5.453) 8.789 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -6.068 7.042 3.961) 10.104 0.418 ( -4.491 4.295 6.976) 9.343 0.614 ( -1.809 4.586 -4.336) 6.566 0.662 ( -6.780 5.982 -0.227) 9.045 0.802 ( -6.005 3.175 -2.083) 7.105 0.896 ( -8.587 5.329 0.350) 10.112 0.969 ( -3.126 0.457 1.892) 3.682 1.021 ( -1.747 -0.333 3.137) 3.606 1.142 ( -3.749 2.668 -1.837) 4.955 1.159 ( -0.880 1.352 -2.282) 2.795 1.323 ( -1.304 0.655 0.740) 1.636 1.401 ( -2.604 0.960 0.133) 2.779 1.465 ( -0.241 -1.712 -1.541) 2.316 1.572 ( -0.962 -2.128 -4.149) 4.761 1.639 ( 2.481 -1.871 1.204) 3.332 1.678 ( 3.543 -1.594 -0.184) 3.889 1.699 ( 1.991 -1.572 2.616) 3.644 1.750 ( 0.245 -0.278 1.264) 1.318 1.819 ( 3.263 4.413 -0.798) 5.546 1.832 ( 0.087 1.670 -0.525) 1.753 1.902 ( 1.242 -0.444 -1.091) 1.712 1.912 ( -0.184 -0.488 -0.904) 1.043 2.010 ( 1.934 -0.588 -0.072) 2.023 2.037 ( 2.511 -0.093 0.188) 2.520 2.387 ( 8.734 -0.349 1.255) 8.831 2.402 ( 5.858 -0.024 0.209) 5.862 2.539 ( 1.834 -0.238 -0.769) 2.003 2.573 ( 2.055 1.055 0.347) 2.336 3.071 ( 5.838 -0.206 -0.657) 5.879 3.086 ( 6.014 -0.081 -0.426) 6.030 3.495 ( -4.686 0.797 0.721) 4.808 3.536 ( -5.779 -0.317 -1.230) 5.917 3.654 ( -1.434 1.995 -1.074) 2.681 3.676 ( -1.385 0.868 -1.235) 2.049 4.501 ( -0.416 -0.894 0.650) 1.180 4.552 ( 0.216 -1.574 -1.607) 2.260 4.798 ( 3.515 -3.182 4.515) 6.547 4.880 ( 1.551 -2.539 -0.194) 2.981 8.724 ( -1.779 0.230 1.203) 2.159 8.793 ( -1.173 -0.520 -1.758) 2.176 9.180 ( -5.595 -2.216 -1.875) 6.304 9.311 ( -5.992 0.651 -1.578) 6.231 9.509 ( 0.338 0.486 -0.469) 0.755 9.590 ( 0.155 0.420 -1.332) 1.405 9.673 ( -2.638 -1.032 0.512) 2.878 9.705 ( -3.260 -1.335 -0.334) 3.539 9.848 ( 2.216 -1.622 5.151) 5.837 9.998 ( 2.778 -2.977 -2.703) 4.887 10.104 ( 0.401 -0.721 -0.063) 0.827 10.129 ( -0.267 -0.186 0.293) 0.438 10.180 ( -0.928 0.326 0.071) 0.987 10.199 ( -1.224 0.044 0.172) 1.237 10.284 ( 2.325 2.432 -0.690) 3.434 10.394 ( -0.388 2.647 -2.173) 3.447 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -5.297 1.054 0.557) 5.430 0.566 ( -7.882 3.014 1.769) 8.622 0.716 ( -7.694 1.021 -1.898) 7.990 0.756 ( -4.919 2.033 -0.878) 5.394 0.960 ( -7.711 -0.269 -0.260) 7.720 0.995 ( -1.905 -1.779 1.123) 2.838 1.072 ( -3.811 -1.838 0.959) 4.338 1.109 ( -3.511 2.288 2.631) 4.949 1.151 ( -4.014 2.036 -0.374) 4.517 1.260 ( -3.260 -0.140 -0.011) 3.263 1.337 ( -1.347 -2.010 0.515) 2.473 1.445 ( -0.132 -2.157 -3.544) 4.151 1.495 ( -3.862 2.087 2.524) 5.064 1.543 ( 0.743 -1.825 -0.258) 1.987 1.591 ( 2.658 -1.327 -0.883) 3.100 1.605 ( 1.091 -0.360 -1.436) 1.839 1.659 ( 1.339 0.024 1.523) 2.028 1.726 ( 2.069 -0.596 -1.095) 2.415 1.779 ( 5.557 3.604 -0.189) 6.626 1.842 ( 1.478 3.029 -0.669) 3.436 1.877 ( 0.799 0.875 -0.301) 1.222 1.887 ( 1.793 -0.975 0.284) 2.061 1.962 ( 3.824 0.191 -0.091) 3.830 1.983 ( 3.757 1.911 0.171) 4.219 2.216 ( 8.741 -1.623 0.695) 8.918 2.272 ( 7.093 -0.782 0.099) 7.137 2.478 ( 4.176 0.812 0.964) 4.362 2.530 ( 4.134 1.334 0.198) 4.348 2.895 ( 12.424 0.031 -0.144) 12.425 2.906 ( 12.922 -0.090 -0.178) 12.923 3.640 ( -9.771 0.564 0.972) 9.836 3.662 ( -6.984 0.099 0.223) 6.988 3.710 ( -4.428 0.353 -1.666) 4.745 3.719 ( -4.381 0.933 -1.154) 4.626 4.492 ( 1.393 -0.901 0.481) 1.728 4.520 ( 1.730 -1.116 -0.675) 2.167 4.735 ( 3.266 -1.826 2.742) 4.639 4.813 ( 3.307 -2.272 -0.898) 4.111 8.767 ( -2.290 -0.338 0.154) 2.320 8.824 ( -2.771 0.471 -0.043) 2.811 9.231 ( -3.532 -2.455 -1.670) 4.614 9.401 ( -3.059 0.079 1.658) 3.480 9.497 ( 0.141 0.056 -1.940) 1.946 9.607 ( -1.434 1.310 -0.958) 2.166 9.731 ( -3.972 -0.787 0.582) 4.091 9.759 ( -3.084 -1.554 -0.288) 3.466 9.828 ( 1.198 0.560 3.150) 3.416 9.908 ( 3.179 -1.274 -2.330) 4.142 10.104 ( -0.763 -0.301 0.610) 1.023 10.130 ( -0.181 -0.463 -0.366) 0.618 10.192 ( 1.026 0.414 -0.402) 1.177 10.218 ( -0.668 0.174 0.151) 0.707 10.256 ( 1.022 0.686 -0.309) 1.269 10.376 ( 2.752 0.094 -0.565) 2.811 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -4.727 -2.928 -2.272) 6.006 0.677 ( -2.268 -0.538 0.299) 2.350 0.852 ( -5.827 0.783 0.266) 5.885 0.891 ( -8.347 -0.084 -0.234) 8.351 1.004 ( -0.001 -1.490 0.216) 1.505 1.045 ( -6.077 -2.407 0.185) 6.538 1.144 ( -7.085 -3.685 0.244) 7.990 1.198 ( -4.158 0.069 1.978) 4.605 1.245 ( -3.285 -1.996 -0.445) 3.869 1.282 ( -3.365 -2.400 0.854) 4.221 1.348 ( -1.337 -2.591 3.555) 4.598 1.417 ( -0.407 0.055 -2.442) 2.476 1.495 ( 4.366 -1.549 -1.988) 5.041 1.531 ( 1.595 -0.092 1.672) 2.312 1.572 ( -0.875 0.346 -0.496) 1.064 1.614 ( -0.898 1.868 0.108) 2.076 1.661 ( 0.492 1.176 -2.020) 2.389 1.670 ( 1.673 -0.312 -1.900) 2.551 1.700 ( 5.579 2.330 0.606) 6.077 1.776 ( 6.559 -0.012 0.662) 6.592 1.785 ( 6.280 0.036 -0.355) 6.290 1.872 ( 3.740 1.516 0.291) 4.046 1.926 ( 1.272 1.773 -0.101) 2.184 1.950 ( 1.189 4.845 -0.454) 5.009 2.087 ( 3.663 -2.665 0.126) 4.531 2.161 ( 4.001 -1.165 0.278) 4.177 2.423 ( 3.385 1.340 1.376) 3.892 2.459 ( 4.301 1.239 -0.377) 4.492 2.648 ( 13.800 -0.020 -0.019) 13.800 2.651 ( 13.890 -0.196 0.034) 13.891 3.743 ( -3.431 0.005 -0.018) 3.431 3.773 ( -3.166 0.514 -0.042) 3.208 3.847 ( -11.517 -0.109 0.272) 11.521 3.897 ( -12.582 0.155 -1.320) 12.652 4.431 ( 4.656 -0.801 0.027) 4.724 4.458 ( 4.634 -0.536 0.205) 4.669 4.672 ( 3.249 -1.306 1.131) 3.680 4.727 ( 3.653 -1.413 -0.729) 3.984 8.801 ( -2.062 -0.719 -0.494) 2.239 8.886 ( -2.571 1.059 0.775) 2.886 9.261 ( -2.538 -2.066 -0.896) 3.393 9.443 ( -0.802 -0.121 2.854) 2.967 9.493 ( -0.151 0.961 -2.643) 2.817 9.643 ( -1.847 0.840 -0.631) 2.126 9.740 ( 1.573 -2.351 0.196) 2.835 9.798 ( -0.707 0.187 0.630) 0.965 9.849 ( -2.402 0.048 -0.343) 2.427 9.896 ( -3.582 0.897 0.075) 3.694 10.108 ( 1.828 0.575 0.521) 1.986 10.131 ( 4.736 0.742 -0.982) 4.893 10.142 ( -2.190 -0.869 0.593) 2.429 10.221 ( 1.316 0.345 -0.191) 1.374 10.266 ( -1.375 -0.274 -0.038) 1.402 10.310 ( 2.514 -1.613 -0.287) 3.001 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -3.876 -1.797 -1.184) 4.434 0.693 ( -2.673 -1.326 -0.150) 2.988 0.960 ( -4.710 1.674 2.010) 5.387 0.992 ( 0.298 -0.451 0.120) 0.553 1.005 ( -3.447 -1.234 -1.317) 3.891 1.137 ( -5.273 -4.030 -0.231) 6.640 1.238 ( 1.849 -1.016 -1.529) 2.606 1.262 ( -5.119 -2.113 2.178) 5.951 1.277 ( -5.109 -0.446 -0.578) 5.161 1.333 ( -0.294 -1.227 0.095) 1.266 1.398 ( -4.923 -2.492 0.423) 5.534 1.425 ( -0.464 -0.025 0.291) 0.548 1.443 ( 0.388 0.200 1.316) 1.386 1.461 ( -1.517 0.582 -2.034) 2.604 1.558 ( 6.363 2.550 0.312) 6.862 1.586 ( 0.884 1.251 -0.660) 1.668 1.611 ( 5.320 0.568 -0.791) 5.408 1.637 ( 2.606 -0.214 -0.530) 2.668 1.681 ( -0.811 0.747 0.553) 1.234 1.692 ( 3.993 0.771 0.829) 4.150 1.730 ( -1.502 -0.006 -0.596) 1.616 1.765 ( 5.501 -1.186 -0.131) 5.629 1.940 ( -2.235 0.223 -0.076) 2.248 2.004 ( -2.068 3.188 -0.174) 3.804 2.017 ( 2.551 -2.424 -0.097) 3.520 2.094 ( 3.517 -0.489 0.106) 3.552 2.383 ( 2.638 0.720 0.348) 2.756 2.403 ( 2.155 0.360 -0.202) 2.195 2.439 ( 7.485 -0.146 -0.003) 7.486 2.448 ( 6.562 -0.147 -0.001) 6.564 3.794 ( -2.093 -0.305 -0.155) 2.121 3.817 ( -0.940 0.131 0.017) 0.950 4.031 ( -7.603 -0.865 -0.373) 7.661 4.122 ( -11.764 0.366 -0.296) 11.773 4.328 ( 4.895 -0.184 0.163) 4.901 4.339 ( 8.124 -0.343 0.101) 8.132 4.615 ( 1.987 -0.867 -0.086) 2.170 4.674 ( 0.714 -0.293 -0.009) 0.772 8.826 ( -1.495 -0.648 -0.288) 1.655 8.921 ( 0.149 0.699 0.310) 0.779 9.290 ( -2.475 -1.034 -0.206) 2.690 9.463 ( 0.451 1.382 2.279) 2.704 9.489 ( -0.410 0.202 -2.140) 2.188 9.648 ( 0.985 -2.643 -0.799) 2.932 9.726 ( -1.601 0.669 0.376) 1.775 9.777 ( 1.968 0.237 0.187) 1.991 9.931 ( -5.388 -0.012 -0.119) 5.389 9.988 ( -4.996 0.897 0.289) 5.084 10.023 ( 5.655 -0.254 -0.097) 5.662 10.072 ( 4.329 1.265 -0.155) 4.513 10.155 ( 2.614 -1.320 0.688) 3.008 10.189 ( -1.789 -0.716 -0.769) 2.075 10.285 ( -0.102 -0.609 -0.038) 0.618 10.293 ( -1.554 0.506 0.056) 1.635 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.457 1.015 0.000) 1.113 0.775 ( -3.802 0.857 0.000) 3.898 0.924 ( 6.250 -0.738 -0.000) 6.293 0.994 ( -0.069 -1.016 -0.000) 1.018 1.035 ( 0.428 1.236 0.000) 1.308 1.146 ( 7.266 -0.063 -0.000) 7.266 1.215 ( 2.380 1.609 0.000) 2.873 1.239 ( -6.345 -1.267 0.000) 6.471 1.336 ( -0.263 -1.928 -0.000) 1.945 1.364 ( 0.313 0.853 0.000) 0.908 1.409 ( 4.032 1.535 -0.000) 4.315 1.455 ( 1.964 3.250 0.000) 3.797 1.493 ( -1.736 0.603 0.000) 1.838 1.508 ( 0.476 0.173 -0.000) 0.507 1.517 ( -3.638 0.988 0.000) 3.770 1.535 ( -4.323 -1.404 0.000) 4.545 1.582 ( -0.272 -3.057 -0.000) 3.069 1.618 ( -1.628 -0.007 0.000) 1.628 1.674 ( -2.582 1.273 0.000) 2.879 1.712 ( -1.331 -0.262 0.000) 1.356 1.729 ( -3.626 -1.686 0.000) 3.999 1.735 ( 1.646 -1.459 -0.000) 2.200 1.917 ( 2.731 -0.353 -0.000) 2.753 1.972 ( 5.827 -0.623 -0.000) 5.860 2.045 ( -6.710 -1.331 0.000) 6.841 2.080 ( -1.135 1.025 0.000) 1.529 2.337 ( 2.236 -0.241 -0.000) 2.249 2.392 ( -1.372 -0.619 0.000) 1.505 2.434 ( -7.074 -0.096 0.000) 7.075 2.456 ( -6.906 0.182 0.000) 6.909 3.799 ( 2.785 -0.162 -0.000) 2.790 3.803 ( 0.845 -0.295 -0.000) 0.896 4.009 ( 8.406 -0.936 -0.000) 8.458 4.158 ( 11.003 0.013 -0.000) 11.003 4.315 ( -8.749 0.204 0.000) 8.751 4.351 ( -6.439 0.357 0.000) 6.449 4.599 ( -0.872 -0.320 0.000) 0.929 4.703 ( -3.526 0.426 0.000) 3.551 8.841 ( -0.596 -0.351 -0.000) 0.692 8.894 ( 2.979 0.123 -0.000) 2.981 9.331 ( -2.322 0.072 0.000) 2.323 9.465 ( 1.823 3.953 0.000) 4.353 9.500 ( -1.425 -1.140 -0.000) 1.825 9.596 ( 1.081 -3.804 -0.000) 3.954 9.746 ( 1.506 -0.014 -0.000) 1.506 9.775 ( -2.313 0.723 0.000) 2.423 9.924 ( 4.376 -0.422 -0.000) 4.396 9.969 ( 5.345 0.143 -0.000) 5.347 10.038 ( -4.814 -0.037 0.000) 4.814 10.090 ( -4.934 0.957 0.000) 5.026 10.112 ( 1.327 -0.743 -0.000) 1.521 10.209 ( -0.605 -0.558 -0.000) 0.823 10.282 ( 0.387 -0.081 -0.000) 0.395 10.330 ( -1.766 1.083 0.000) 2.071 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 10.433 -0.000 5.500) 11.794 0.523 ( 8.907 -0.000 1.012) 8.964 0.723 ( 11.170 -0.000 -4.244) 11.949 0.800 ( 5.850 0.000 -3.791) 6.971 0.931 ( 14.217 -0.000 5.520) 15.251 1.006 ( 4.593 -0.000 2.870) 5.416 1.044 ( 8.253 -0.000 -0.122) 8.254 1.108 ( 6.442 -0.000 0.651) 6.474 1.131 ( 1.383 -0.000 -0.473) 1.461 1.182 ( 5.347 -0.000 -0.335) 5.357 1.370 ( 5.216 -0.000 1.434) 5.410 1.419 ( 0.845 -0.000 1.025) 1.329 1.514 ( 0.860 0.000 -1.167) 1.450 1.614 ( -1.067 0.000 -0.145) 1.076 1.625 ( -2.382 0.000 -2.160) 3.215 1.644 ( -3.950 0.000 1.179) 4.122 1.647 ( -2.093 0.000 -1.772) 2.742 1.683 ( -3.121 0.000 1.004) 3.278 1.733 ( -2.619 0.000 -0.482) 2.663 1.791 ( -1.248 0.000 -3.417) 3.638 1.903 ( -2.382 0.000 -0.512) 2.436 1.915 ( -2.996 0.000 -0.789) 3.098 1.940 ( -6.211 0.000 0.346) 6.220 1.946 ( -4.235 0.000 0.315) 4.247 2.228 ( -7.773 0.000 2.377) 8.129 2.288 ( -6.682 0.000 -0.110) 6.683 2.445 ( -6.467 0.000 1.662) 6.677 2.516 ( -3.588 0.000 -0.769) 3.670 2.897 ( -12.585 0.000 -0.058) 12.585 2.911 ( -13.539 0.000 -0.763) 13.561 3.617 ( 9.867 -0.000 1.020) 9.919 3.663 ( 3.552 -0.000 0.545) 3.594 3.709 ( 2.829 -0.000 -0.956) 2.986 3.726 ( 9.942 -0.000 -3.262) 10.463 4.505 ( -1.480 0.000 0.539) 1.575 4.555 ( -2.755 0.000 -1.069) 2.955 4.733 ( -4.079 -0.000 4.736) 6.250 4.860 ( -3.661 0.000 -0.656) 3.719 8.764 ( 3.375 -0.000 0.887) 3.490 8.826 ( 1.025 0.000 -1.103) 1.506 9.329 ( 2.604 0.000 -1.687) 3.103 9.435 ( 2.432 0.000 -7.289) 7.684 9.492 ( 0.819 -0.000 2.283) 2.425 9.571 ( -0.687 0.000 -0.612) 0.920 9.737 ( 3.337 -0.000 0.809) 3.433 9.775 ( 0.434 -0.000 1.658) 1.714 9.785 ( 0.599 -0.000 2.351) 2.426 9.943 ( -4.619 0.000 -2.156) 5.097 10.094 ( -0.569 -0.000 0.844) 1.018 10.151 ( 0.388 0.000 -1.520) 1.569 10.218 ( -1.779 0.000 0.648) 1.893 10.233 ( 0.368 0.000 -0.188) 0.413 10.252 ( -0.039 -0.000 1.132) 1.132 10.358 ( 0.532 0.000 -3.057) 3.103 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -0.000 10.312 5.895) 11.878 0.325 ( -0.000 9.557 5.092) 10.829 0.510 ( -0.000 4.780 8.590) 9.831 0.563 ( -0.000 7.987 -4.698) 9.266 0.629 ( -0.000 7.059 -2.411) 7.460 0.802 ( 0.000 -0.043 -5.827) 5.827 0.945 ( -0.000 2.156 3.946) 4.497 1.023 ( -0.000 0.294 1.861) 1.884 1.051 ( -0.000 1.651 -1.185) 2.032 1.143 ( 0.000 0.178 -3.812) 3.816 1.305 ( -0.000 1.392 2.258) 2.653 1.367 ( 0.000 0.270 -1.829) 1.849 1.489 ( 0.000 -3.471 0.600) 3.522 1.559 ( 0.000 -2.237 -4.154) 4.718 1.705 ( 0.000 -1.350 0.437) 1.419 1.713 ( 0.000 -2.206 1.889) 2.904 1.731 ( -0.000 0.291 1.312) 1.344 1.750 ( -0.000 1.138 0.907) 1.455 1.825 ( -0.000 0.384 0.141) 0.409 1.828 ( -0.000 4.775 -2.204) 5.259 1.895 ( -0.000 0.467 -0.622) 0.777 1.905 ( 0.000 -0.047 -1.776) 1.776 2.047 ( 0.000 -0.079 -0.366) 0.374 2.049 ( 0.000 -0.498 -0.305) 0.584 2.457 ( -0.000 0.501 1.113) 1.220 2.496 ( 0.000 0.142 -1.403) 1.410 2.535 ( -0.000 -0.342 1.580) 1.617 2.587 ( 0.000 0.043 -2.007) 2.007 3.105 ( -0.000 0.379 0.854) 0.934 3.133 ( 0.000 0.278 -0.980) 1.019 3.454 ( -0.000 0.643 0.650) 0.914 3.478 ( 0.000 0.434 -0.945) 1.039 3.620 ( -0.000 2.296 -0.139) 2.300 3.649 ( -0.000 0.874 -1.631) 1.851 4.506 ( 0.000 -0.972 1.049) 1.430 4.555 ( 0.000 -1.228 -2.166) 2.490 4.899 ( 0.000 -5.089 2.153) 5.525 4.913 ( 0.000 -2.276 0.251) 2.290 8.713 ( -0.000 0.114 1.694) 1.697 8.776 ( 0.000 -0.416 -2.534) 2.568 9.100 ( -0.000 1.429 3.136) 3.446 9.214 ( 0.000 1.644 -4.649) 4.931 9.518 ( -0.000 0.161 2.505) 2.510 9.589 ( 0.000 -0.082 -2.085) 2.087 9.660 ( 0.000 -1.047 0.687) 1.252 9.681 ( 0.000 -1.430 -0.620) 1.559 9.934 ( 0.000 -5.770 4.809) 7.511 10.032 ( 0.000 -3.463 -2.798) 4.452 10.122 ( 0.000 -0.440 0.242) 0.502 10.126 ( 0.000 -0.700 -0.032) 0.701 10.171 ( -0.000 1.546 0.275) 1.570 10.177 ( -0.000 0.897 0.012) 0.897 10.293 ( -0.000 2.668 -0.061) 2.669 10.318 ( -0.000 5.981 -2.796) 6.602 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -4.765 7.118 3.520) 9.261 0.476 ( -2.877 3.643 5.161) 6.942 0.576 ( -2.377 4.381 -3.727) 6.224 0.655 ( -4.684 3.832 -1.286) 6.187 0.787 ( -8.293 4.080 -0.969) 9.293 0.899 ( -9.708 6.289 0.210) 11.569 0.986 ( -2.435 0.324 1.615) 2.940 1.052 ( -1.067 -0.546 3.456) 3.658 1.122 ( -1.760 1.214 -2.505) 3.293 1.137 ( -4.797 2.858 -2.198) 6.000 1.331 ( -0.658 0.002 0.820) 1.051 1.399 ( -3.504 2.033 -0.546) 4.088 1.462 ( 0.574 -2.361 0.571) 2.495 1.537 ( -1.280 -1.504 -3.344) 3.883 1.645 ( 3.054 -2.594 0.375) 4.025 1.676 ( 3.449 -1.434 -0.201) 3.740 1.725 ( 2.205 -0.984 2.843) 3.730 1.757 ( 0.981 0.018 0.053) 0.982 1.813 ( 1.693 4.163 -0.494) 4.521 1.825 ( 1.588 2.425 -0.802) 3.007 1.894 ( 0.961 -0.497 -0.655) 1.265 1.906 ( -0.704 -0.424 -0.433) 0.929 2.010 ( 1.661 -0.675 0.003) 1.793 2.038 ( 2.239 -0.076 0.047) 2.241 2.396 ( 8.435 -0.401 0.714) 8.474 2.403 ( 6.203 -0.088 0.125) 6.205 2.533 ( 1.691 -0.142 -0.466) 1.760 2.575 ( 1.550 1.445 0.148) 2.124 3.066 ( 5.971 -0.011 -0.302) 5.979 3.083 ( 6.018 0.216 -0.286) 6.029 3.503 ( -4.877 0.757 0.966) 5.029 3.524 ( -5.476 0.217 -1.301) 5.633 3.649 ( -1.417 1.625 -0.072) 2.157 3.665 ( -1.523 1.165 -1.136) 2.229 4.509 ( -0.342 -1.036 1.108) 1.555 4.537 ( -0.060 -1.302 -1.684) 2.130 4.831 ( 3.406 -3.494 2.596) 5.527 4.877 ( 1.884 -2.669 -0.391) 3.290 8.736 ( -1.514 -0.002 1.459) 2.103 8.776 ( -1.650 -0.123 -1.826) 2.464 9.169 ( -3.906 -1.090 -0.605) 4.100 9.294 ( -7.084 2.190 -1.721) 7.612 9.514 ( 1.218 -0.769 1.056) 1.786 9.578 ( -0.268 0.564 -1.293) 1.435 9.678 ( -2.610 -1.134 0.493) 2.888 9.702 ( -3.322 -1.273 -0.440) 3.585 9.891 ( 2.591 -1.806 4.084) 5.163 9.972 ( 2.746 -2.987 -3.002) 5.047 10.103 ( 0.253 -0.836 -0.052) 0.875 10.131 ( -0.116 -0.094 0.171) 0.227 10.181 ( -0.842 0.477 0.062) 0.970 10.200 ( -1.069 0.091 0.099) 1.077 10.278 ( 2.349 2.479 -0.475) 3.448 10.379 ( -1.007 2.985 -1.083) 3.331 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -3.661 -0.029 0.195) 3.666 0.579 ( -7.289 2.892 0.831) 7.886 0.702 ( -8.391 2.140 -0.865) 8.702 0.750 ( -5.505 1.860 -0.319) 5.819 0.957 ( -7.203 -0.788 -0.215) 7.249 1.003 ( -2.086 -2.067 0.563) 2.991 1.078 ( -2.898 -1.920 0.421) 3.501 1.131 ( -4.531 2.432 2.015) 5.523 1.145 ( -4.815 2.332 -1.105) 5.463 1.259 ( -3.975 -0.283 -0.142) 3.987 1.345 ( -2.045 -1.955 0.791) 2.938 1.418 ( 0.617 -2.613 -1.842) 3.256 1.514 ( -4.319 2.292 1.292) 5.058 1.542 ( -0.494 -0.843 -0.111) 0.983 1.585 ( 3.796 -1.606 -0.290) 4.132 1.590 ( 0.843 -0.618 -1.228) 1.612 1.678 ( 2.561 -0.493 2.064) 3.326 1.712 ( 3.115 -0.307 -1.756) 3.589 1.778 ( 5.183 3.513 -0.069) 6.262 1.838 ( 0.921 4.045 -0.176) 4.152 1.875 ( 1.037 0.655 -0.111) 1.232 1.889 ( 1.796 -1.045 0.102) 2.080 1.962 ( 4.030 0.130 -0.035) 4.032 1.985 ( 3.810 1.996 0.067) 4.301 2.220 ( 8.762 -2.040 0.243) 9.000 2.273 ( 7.057 -0.670 0.060) 7.089 2.485 ( 3.429 0.492 0.366) 3.484 2.532 ( 4.565 1.794 0.083) 4.906 2.894 ( 12.317 0.049 -0.071) 12.317 2.905 ( 12.874 -0.024 -0.053) 12.874 3.648 ( -9.278 0.055 0.613) 9.298 3.664 ( -9.552 0.459 0.103) 9.564 3.696 ( -3.649 0.447 -0.980) 3.805 3.712 ( -3.225 1.074 -0.355) 3.418 4.496 ( 1.638 -1.147 0.303) 2.022 4.515 ( 1.305 -0.779 -0.376) 1.566 4.755 ( 3.427 -2.496 1.322) 4.440 4.805 ( 3.519 -1.997 -0.632) 4.095 8.768 ( -1.890 -0.621 0.050) 1.990 8.824 ( -3.325 0.837 -0.002) 3.429 9.220 ( -3.492 -2.167 -0.568) 4.149 9.409 ( -3.675 1.900 0.364) 4.153 9.487 ( 0.560 -1.383 -0.469) 1.564 9.600 ( -1.544 1.252 -0.375) 2.023 9.736 ( -4.161 -0.658 0.345) 4.226 9.756 ( -3.150 -1.765 -0.291) 3.623 9.856 ( 2.054 0.056 2.931) 3.580 9.885 ( 2.688 -0.845 -2.628) 3.853 10.109 ( -1.525 -0.805 0.309) 1.752 10.127 ( 0.533 0.213 -0.218) 0.614 10.189 ( 1.365 0.329 -0.153) 1.412 10.218 ( -0.817 0.133 0.052) 0.829 10.254 ( 0.773 0.546 -0.115) 0.953 10.372 ( 2.685 0.344 -0.210) 2.715 ======================= Grid point 119 (52/125) ======================= q-point: (-0.22 -0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -4.591 -3.394 -0.000) 5.710 0.678 ( -2.078 -0.643 0.000) 2.175 0.854 ( -5.990 1.230 0.000) 6.115 0.890 ( -8.327 -0.052 0.000) 8.327 1.005 ( -0.237 -1.784 -0.000) 1.799 1.046 ( -6.253 -2.415 0.000) 6.704 1.145 ( -7.029 -3.914 -0.000) 8.046 1.208 ( -3.516 -0.198 0.000) 3.522 1.242 ( -3.343 -1.940 -0.000) 3.865 1.286 ( -3.273 -2.623 -0.000) 4.194 1.377 ( -2.190 -2.363 -0.000) 3.221 1.394 ( -1.119 -0.037 0.000) 1.120 1.484 ( 4.902 -1.465 -0.000) 5.116 1.542 ( 2.308 -0.126 -0.000) 2.311 1.569 ( -0.876 0.431 0.000) 0.976 1.614 ( -1.145 1.985 0.000) 2.291 1.649 ( 2.376 0.842 -0.000) 2.520 1.662 ( 0.353 -0.106 -0.000) 0.369 1.703 ( 5.452 2.381 -0.000) 5.949 1.780 ( 7.294 -0.551 -0.000) 7.315 1.783 ( 5.423 0.511 -0.000) 5.447 1.873 ( 3.619 1.504 -0.000) 3.919 1.926 ( 1.121 1.816 0.000) 2.134 1.948 ( 1.459 4.954 0.000) 5.164 2.088 ( 3.702 -2.786 -0.000) 4.634 2.163 ( 3.955 -1.175 -0.000) 4.126 2.430 ( 3.218 1.000 -0.000) 3.370 2.457 ( 4.564 1.526 -0.000) 4.812 2.648 ( 13.771 -0.030 -0.000) 13.771 2.651 ( 13.870 -0.217 -0.000) 13.872 3.743 ( -3.336 -0.101 0.000) 3.337 3.773 ( -3.219 0.599 0.000) 3.274 3.849 ( -11.341 -0.575 0.000) 11.355 3.891 ( -12.816 0.470 0.000) 12.825 4.431 ( 4.661 -0.855 -0.000) 4.739 4.459 ( 4.556 -0.476 -0.000) 4.581 4.678 ( 3.443 -1.717 -0.000) 3.847 4.724 ( 3.587 -1.150 -0.000) 3.767 8.799 ( -2.024 -0.780 0.000) 2.170 8.890 ( -2.600 1.122 0.000) 2.832 9.257 ( -2.611 -2.055 -0.000) 3.322 9.463 ( -0.261 2.550 0.000) 2.563 9.473 ( -0.695 -1.632 -0.000) 1.774 9.640 ( -1.854 0.669 0.000) 1.971 9.741 ( 1.621 -2.489 -0.000) 2.970 9.801 ( -0.843 0.164 0.000) 0.859 9.847 ( -2.066 0.146 0.000) 2.071 9.896 ( -3.856 1.034 0.000) 3.993 10.111 ( 1.581 0.834 -0.000) 1.787 10.125 ( 5.197 0.486 -0.000) 5.219 10.145 ( -2.746 -0.931 0.000) 2.899 10.220 ( 1.671 0.282 -0.000) 1.694 10.265 ( -1.411 -0.290 0.000) 1.440 10.308 ( 2.513 -1.515 -0.000) 2.934 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 6.475 0.001 1.183) 6.583 0.684 ( 9.128 -0.283 1.045) 9.192 0.876 ( 5.249 0.242 -1.835) 5.566 0.910 ( 5.865 0.824 -2.291) 6.350 1.045 ( 1.371 1.321 2.001) 2.762 1.067 ( 2.389 -1.314 2.479) 3.685 1.177 ( 8.773 2.046 3.228) 9.569 1.233 ( 7.523 0.015 0.359) 7.531 1.274 ( 8.326 1.687 0.668) 8.521 1.305 ( 5.091 -1.166 0.811) 5.286 1.452 ( 2.862 4.251 1.571) 5.360 1.478 ( -1.981 1.239 1.597) 2.830 1.508 ( -0.763 -0.084 0.002) 0.768 1.545 ( -2.068 -3.814 0.385) 4.356 1.579 ( -3.091 0.387 -1.048) 3.286 1.586 ( -1.656 0.824 -0.109) 1.853 1.597 ( -3.804 1.735 -0.430) 4.203 1.626 ( -0.952 -1.655 -1.495) 2.425 1.663 ( -5.008 -3.654 -0.021) 6.199 1.743 ( -2.858 -0.097 -4.756) 5.550 1.796 ( -6.368 0.862 0.098) 6.427 1.817 ( -5.333 -1.418 -0.183) 5.522 1.872 ( -0.912 -0.554 0.216) 1.089 1.901 ( -1.769 -0.298 -0.973) 2.040 2.138 ( -3.158 0.678 1.960) 3.779 2.178 ( -5.439 0.190 0.257) 5.449 2.364 ( -3.273 -0.556 2.684) 4.269 2.437 ( -4.142 -0.367 -0.802) 4.235 2.649 ( -14.102 -0.001 0.229) 14.103 2.654 ( -13.317 0.043 0.046) 13.317 3.738 ( 4.157 -0.061 0.630) 4.205 3.762 ( 3.177 -0.176 -0.375) 3.204 3.830 ( 12.116 -0.188 1.754) 12.243 3.917 ( 12.111 0.048 -2.422) 12.351 4.451 ( -4.887 0.323 0.649) 4.940 4.474 ( -5.585 0.268 -0.322) 5.601 4.679 ( -3.710 0.308 3.257) 4.947 4.774 ( -4.823 0.460 -1.301) 5.017 8.829 ( 2.937 0.715 0.108) 3.024 8.846 ( 1.638 -0.821 0.266) 1.852 9.346 ( 0.440 1.392 -0.625) 1.589 9.429 ( 0.078 -0.240 -3.480) 3.489 9.519 ( 1.475 1.686 1.676) 2.798 9.581 ( 0.935 -2.462 0.431) 2.668 9.755 ( -1.525 -0.049 2.127) 2.617 9.793 ( 1.172 0.037 0.410) 1.242 9.860 ( 4.626 0.171 -0.652) 4.675 9.877 ( -0.042 -0.341 -1.185) 1.234 10.093 ( -0.385 -0.141 0.345) 0.536 10.116 ( -3.386 -0.270 -0.851) 3.502 10.190 ( -2.295 1.402 0.866) 2.825 10.210 ( -0.611 -0.472 0.398) 0.868 10.275 ( 1.137 0.273 0.786) 1.409 10.343 ( -0.851 0.120 -1.882) 2.069 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 8.212 -0.000 4.319) 9.279 0.535 ( 8.440 -0.000 1.440) 8.562 0.693 ( 11.373 -0.000 -1.895) 11.529 0.762 ( 7.263 0.000 -4.307) 8.444 0.976 ( 15.158 -0.000 4.298) 15.755 1.027 ( 10.203 -0.000 1.195) 10.273 1.047 ( 2.826 -0.000 1.380) 3.144 1.107 ( -1.208 0.000 -1.056) 1.604 1.133 ( 8.232 -0.000 1.132) 8.309 1.176 ( 6.238 -0.000 -0.990) 6.316 1.386 ( 5.077 -0.000 2.037) 5.470 1.427 ( 2.690 -0.000 0.501) 2.736 1.506 ( 1.007 -0.000 -0.130) 1.015 1.595 ( 0.132 0.000 -4.156) 4.158 1.615 ( -2.706 0.000 0.266) 2.719 1.633 ( -3.700 0.000 -1.143) 3.873 1.659 ( -3.822 -0.000 2.146) 4.383 1.693 ( -3.050 0.000 1.183) 3.271 1.727 ( -2.932 0.000 -0.771) 3.031 1.756 ( -2.896 0.000 -4.012) 4.948 1.901 ( -2.056 0.000 -0.099) 2.058 1.909 ( -2.413 0.000 -0.612) 2.489 1.943 ( -6.048 0.000 0.333) 6.058 1.948 ( -5.042 0.000 0.066) 5.043 2.249 ( -7.528 0.000 2.227) 7.850 2.285 ( -6.791 0.000 -0.446) 6.805 2.461 ( -5.413 0.000 1.902) 5.738 2.507 ( -3.662 0.000 -1.170) 3.844 2.897 ( -12.464 0.000 -0.015) 12.464 2.904 ( -12.915 0.000 -0.647) 12.932 3.629 ( 10.157 -0.000 1.563) 10.277 3.669 ( 3.558 -0.000 0.823) 3.652 3.694 ( 9.695 -0.000 -2.918) 10.124 3.700 ( 3.858 -0.000 -1.480) 4.132 4.512 ( -1.507 -0.000 0.836) 1.723 4.544 ( -2.321 0.000 -1.295) 2.658 4.776 ( -4.772 -0.000 4.382) 6.479 4.852 ( -4.036 0.000 -1.275) 4.233 8.774 ( 3.142 -0.000 1.243) 3.379 8.814 ( 1.597 0.000 -1.419) 2.136 9.317 ( 3.332 -0.000 -0.822) 3.432 9.375 ( 4.064 0.000 -5.605) 6.923 9.513 ( 0.601 -0.000 2.288) 2.366 9.563 ( -0.241 0.000 -1.188) 1.212 9.745 ( 3.381 -0.000 1.026) 3.534 9.772 ( 3.528 -0.000 -0.761) 3.610 9.821 ( -3.441 -0.000 4.202) 5.431 9.920 ( -4.388 0.000 -2.861) 5.238 10.103 ( -0.561 -0.000 1.027) 1.170 10.137 ( -0.092 0.000 -1.478) 1.481 10.223 ( -0.951 -0.000 0.490) 1.069 10.232 ( 0.234 0.000 -0.192) 0.303 10.265 ( 0.321 -0.000 1.610) 1.642 10.329 ( 1.052 0.000 -3.047) 3.223 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -0.000 10.771 3.697) 11.388 0.359 ( 0.000 9.721 1.557) 9.845 0.532 ( 0.000 6.532 -1.411) 6.682 0.538 ( 0.000 3.443 -1.514) 3.761 0.659 ( -0.000 5.629 8.184) 9.933 0.738 ( 0.000 1.971 -8.102) 8.339 0.980 ( 0.000 2.197 3.797) 4.387 1.012 ( -0.000 2.283 -3.084) 3.837 1.069 ( -0.000 -0.443 3.779) 3.805 1.106 ( 0.000 -0.186 -4.215) 4.219 1.327 ( -0.000 1.081 2.423) 2.653 1.348 ( -0.000 0.693 -2.241) 2.345 1.501 ( -0.000 -2.978 1.927) 3.547 1.524 ( 0.000 -2.501 -3.257) 4.106 1.709 ( 0.000 -1.527 0.549) 1.623 1.714 ( -0.000 -1.836 -0.493) 1.901 1.749 ( 0.000 1.075 1.577) 1.908 1.755 ( 0.000 1.570 0.132) 1.575 1.818 ( -0.000 2.912 -0.051) 2.913 1.822 ( -0.000 1.107 -0.678) 1.298 1.891 ( 0.000 0.280 -0.232) 0.364 1.893 ( 0.000 0.171 -0.746) 0.765 2.045 ( -0.000 -0.389 -0.014) 0.389 2.046 ( 0.000 -0.505 -0.181) 0.537 2.469 ( 0.000 0.418 1.386) 1.448 2.482 ( -0.000 0.293 -1.500) 1.528 2.550 ( -0.000 0.050 1.835) 1.836 2.568 ( 0.000 0.162 -2.056) 2.062 3.113 ( 0.000 0.389 1.041) 1.112 3.123 ( -0.000 0.363 -1.095) 1.153 3.460 ( -0.000 0.636 0.847) 1.059 3.469 ( 0.000 0.561 -0.962) 1.114 3.624 ( -0.000 1.627 0.862) 1.841 3.635 ( 0.000 1.185 -1.443) 1.867 4.518 ( 0.000 -1.010 1.593) 1.887 4.535 ( -0.000 -1.086 -2.024) 2.297 4.911 ( 0.000 -3.629 0.690) 3.694 4.914 ( -0.000 -2.771 -0.035) 2.771 8.731 ( 0.000 -0.011 2.224) 2.224 8.753 ( -0.000 -0.195 -2.555) 2.563 9.133 ( 0.000 1.593 3.950) 4.259 9.172 ( -0.000 1.704 -4.515) 4.826 9.543 ( 0.000 -0.189 2.821) 2.827 9.568 ( -0.000 -0.182 -2.574) 2.580 9.667 ( -0.000 -1.157 0.798) 1.406 9.674 ( 0.000 -1.284 -0.788) 1.507 9.973 ( 0.000 -4.673 3.748) 5.991 10.005 ( -0.000 -3.911 -3.234) 5.075 10.124 ( -0.000 -0.540 0.226) 0.586 10.126 ( 0.000 -0.631 -0.153) 0.650 10.173 ( 0.000 1.444 0.284) 1.472 10.176 ( -0.000 1.217 -0.189) 1.232 10.294 ( 0.000 3.432 0.323) 3.447 10.301 ( -0.000 4.570 -1.181) 4.720 ======================= Grid point 128 (56/125) ======================= q-point: (-0.33 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -4.076 7.212 0.000) 8.284 0.502 ( -2.100 3.875 0.000) 4.408 0.556 ( -2.707 4.045 0.000) 4.867 0.646 ( -4.313 2.785 0.000) 5.134 0.783 ( -8.785 4.171 0.000) 9.725 0.900 ( -10.353 6.887 0.000) 12.435 0.994 ( -2.141 0.261 0.000) 2.157 1.076 ( 0.054 -0.982 -0.000) 0.983 1.102 ( -1.143 0.507 0.000) 1.251 1.126 ( -7.048 3.929 0.000) 8.069 1.335 ( -0.379 -0.336 -0.000) 0.506 1.396 ( -3.653 2.406 0.000) 4.374 1.467 ( 0.844 -2.720 -0.000) 2.848 1.519 ( -1.536 -0.980 -0.000) 1.822 1.647 ( 3.194 -2.819 -0.000) 4.261 1.675 ( 3.429 -1.355 -0.000) 3.687 1.744 ( 2.132 -1.488 -0.000) 2.600 1.752 ( 1.529 0.656 -0.000) 1.664 1.811 ( 0.735 3.859 0.000) 3.929 1.821 ( 2.501 3.058 0.000) 3.950 1.891 ( 0.738 -0.515 -0.000) 0.900 1.904 ( -0.855 -0.426 0.000) 0.955 2.010 ( 1.577 -0.702 -0.000) 1.727 2.039 ( 2.140 -0.067 -0.000) 2.141 2.399 ( 8.344 -0.417 -0.000) 8.355 2.404 ( 6.313 -0.104 -0.000) 6.313 2.531 ( 1.606 -0.092 -0.000) 1.609 2.576 ( 1.360 1.596 0.000) 2.097 3.065 ( 6.106 0.057 -0.000) 6.106 3.082 ( 5.952 0.306 -0.000) 5.960 3.512 ( -5.204 0.659 0.000) 5.245 3.514 ( -5.083 0.498 0.000) 5.108 3.650 ( -1.285 1.182 0.000) 1.746 3.658 ( -1.696 1.543 0.000) 2.292 4.519 ( -0.050 -1.313 -0.000) 1.314 4.525 ( -0.425 -0.965 -0.000) 1.054 4.843 ( 3.190 -3.525 -0.000) 4.755 4.875 ( 2.096 -2.723 -0.000) 3.436 8.746 ( -0.985 -0.403 0.000) 1.064 8.765 ( -2.264 0.343 0.000) 2.290 9.166 ( -3.117 -0.738 0.000) 3.203 9.285 ( -7.545 2.638 0.000) 7.992 9.520 ( 1.756 -1.288 -0.000) 2.178 9.571 ( -0.694 0.757 0.000) 1.027 9.681 ( -2.559 -1.192 0.000) 2.823 9.699 ( -3.392 -1.240 0.000) 3.612 9.915 ( 2.726 -1.425 -0.000) 3.076 9.952 ( 2.702 -3.388 -0.000) 4.334 10.103 ( 0.216 -0.867 -0.000) 0.893 10.131 ( -0.077 -0.066 -0.000) 0.101 10.181 ( -0.809 0.532 0.000) 0.968 10.200 ( -1.006 0.119 0.000) 1.013 10.276 ( 2.337 2.483 0.000) 3.410 10.374 ( -1.183 3.051 0.000) 3.273 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.138 2.488 1.802) 3.743 0.773 ( -0.539 3.063 -0.191) 3.116 0.901 ( 3.109 -1.462 -0.551) 3.480 0.939 ( -1.568 -2.737 -1.585) 3.530 1.088 ( 1.501 1.985 1.106) 2.723 1.176 ( 3.254 -1.052 0.380) 3.441 1.272 ( -3.227 1.619 2.642) 4.474 1.292 ( 0.459 1.351 2.139) 2.571 1.350 ( 1.473 -0.190 2.086) 2.560 1.388 ( 1.008 2.004 0.881) 2.410 1.400 ( 4.295 0.734 0.225) 4.363 1.440 ( -3.592 0.425 -1.192) 3.809 1.457 ( -3.516 0.776 -1.120) 3.770 1.483 ( -2.046 -1.119 -1.329) 2.684 1.513 ( 2.481 2.346 0.185) 3.420 1.545 ( -3.892 -0.950 0.896) 4.105 1.612 ( 0.371 -1.868 0.828) 2.077 1.631 ( -0.547 0.116 -1.287) 1.404 1.653 ( -0.854 -0.146 -1.160) 1.448 1.672 ( -1.533 -0.710 -0.564) 1.781 1.726 ( -0.196 0.024 0.006) 0.198 1.763 ( -2.349 -1.424 0.828) 2.869 1.912 ( 4.526 -0.813 0.039) 4.599 1.936 ( 5.267 -1.117 -1.547) 5.602 2.080 ( -3.904 0.661 1.248) 4.151 2.097 ( -3.161 0.601 0.714) 3.296 2.357 ( 0.413 -0.224 1.151) 1.243 2.388 ( -0.853 -0.604 -0.321) 1.093 2.444 ( -7.166 0.174 0.479) 7.184 2.455 ( -7.028 0.176 -0.119) 7.032 3.803 ( 2.317 0.200 0.214) 2.336 3.810 ( 1.566 -0.218 0.284) 1.606 4.045 ( 9.152 0.114 2.177) 9.408 4.123 ( 10.997 -0.076 -2.109) 11.197 4.331 ( -7.785 0.256 0.947) 7.847 4.351 ( -6.965 0.302 -0.162) 6.974 4.633 ( -2.019 0.413 1.845) 2.766 4.688 ( -3.014 0.221 -1.063) 3.203 8.851 ( 0.676 0.608 0.503) 1.040 8.892 ( 1.478 -0.667 -0.122) 1.626 9.329 ( -0.742 0.978 0.385) 1.286 9.411 ( -1.148 -1.141 -2.499) 2.977 9.539 ( 1.910 2.742 1.831) 3.810 9.638 ( 2.172 -2.916 1.443) 3.912 9.735 ( -1.125 0.970 -0.357) 1.528 9.767 ( -1.896 -0.332 -0.491) 1.986 9.932 ( 5.144 -0.033 0.489) 5.168 9.961 ( 5.514 -0.439 -0.520) 5.556 10.037 ( -4.924 0.169 0.117) 4.928 10.057 ( -3.580 0.022 -1.008) 3.719 10.163 ( -0.817 0.264 2.076) 2.247 10.204 ( -0.257 -0.300 -0.567) 0.692 10.288 ( 0.209 0.214 0.480) 0.565 10.314 ( -1.068 0.712 -0.936) 1.589 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 6.818 0.176 1.371) 6.956 0.688 ( 7.764 0.071 -0.135) 7.766 0.866 ( 5.752 0.770 -0.543) 5.828 0.892 ( 6.384 -0.144 -1.532) 6.567 1.059 ( 1.376 1.781 1.055) 2.486 1.084 ( 2.485 -1.114 1.229) 2.987 1.203 ( 9.187 2.112 2.275) 9.697 1.237 ( 7.360 0.069 0.473) 7.376 1.277 ( 8.845 1.526 0.080) 8.976 1.312 ( 5.220 -1.690 0.640) 5.524 1.470 ( 1.952 4.791 2.106) 5.586 1.487 ( -2.417 2.889 0.383) 3.786 1.517 ( 0.155 -1.218 1.948) 2.303 1.546 ( -2.605 -1.638 -0.368) 3.099 1.558 ( -1.311 0.085 -2.580) 2.895 1.587 ( -1.038 -0.753 -0.652) 1.439 1.595 ( -6.745 0.476 -0.003) 6.762 1.624 ( -0.245 -0.504 1.472) 1.575 1.662 ( -4.635 -3.485 -0.120) 5.800 1.696 ( -1.388 -1.283 -5.073) 5.414 1.797 ( -6.056 0.906 0.067) 6.123 1.816 ( -5.507 -1.367 -0.040) 5.674 1.875 ( -1.809 -0.299 0.527) 1.907 1.892 ( -1.910 -0.495 -0.884) 2.162 2.154 ( -3.700 1.081 1.461) 4.123 2.178 ( -4.763 -0.004 -0.133) 4.765 2.389 ( -3.554 -0.467 2.600) 4.428 2.427 ( -3.956 -0.449 -1.392) 4.218 2.651 ( -13.717 0.074 0.186) 13.719 2.654 ( -13.413 -0.003 -0.006) 13.413 3.744 ( 4.037 0.042 0.685) 4.095 3.758 ( 3.546 -0.233 -0.517) 3.591 3.848 ( 12.324 -0.018 2.184) 12.516 3.894 ( 12.413 -0.032 -2.583) 12.679 4.457 ( -4.915 0.461 0.655) 4.980 4.471 ( -5.219 0.126 -0.441) 5.239 4.709 ( -4.262 0.556 3.149) 5.328 4.759 ( -4.793 0.358 -1.922) 5.176 8.830 ( 2.486 1.056 0.057) 2.701 8.849 ( 2.252 -1.169 0.194) 2.545 9.343 ( 0.966 2.252 0.024) 2.451 9.400 ( 0.343 -1.640 -2.489) 3.001 9.533 ( 1.533 2.269 1.259) 3.014 9.582 ( 1.653 -2.537 -0.064) 3.029 9.774 ( -2.268 0.137 1.906) 2.966 9.795 ( -0.144 -0.010 -0.007) 0.145 9.854 ( 3.865 0.383 -0.563) 3.924 9.867 ( 2.158 -0.699 -0.908) 2.444 10.097 ( -1.141 -0.062 0.406) 1.213 10.109 ( -2.593 -0.346 -0.698) 2.707 10.197 ( -1.580 1.402 0.582) 2.191 10.212 ( -1.160 -0.419 0.218) 1.253 10.284 ( 1.052 0.780 1.093) 1.706 10.326 ( -0.533 -0.423 -1.803) 1.927 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 7.723 -0.000 1.298) 7.831 0.553 ( 7.133 0.000 0.749) 7.172 0.693 ( 10.870 0.000 1.945) 11.043 0.723 ( 9.041 -0.000 -4.071) 9.916 1.008 ( 14.874 -0.000 2.656) 15.109 1.025 ( 13.753 0.000 -1.172) 13.803 1.069 ( -0.388 -0.000 2.687) 2.715 1.092 ( -1.394 0.000 -2.185) 2.592 1.148 ( 8.164 0.000 1.858) 8.373 1.164 ( 7.177 -0.000 -1.639) 7.362 1.406 ( 4.920 -0.000 2.200) 5.389 1.423 ( 4.409 0.000 -1.366) 4.616 1.518 ( 0.690 -0.000 2.853) 2.935 1.554 ( 0.816 0.000 -4.545) 4.618 1.618 ( -3.662 -0.000 0.547) 3.702 1.624 ( -4.014 0.000 -0.782) 4.090 1.683 ( -3.561 -0.000 2.912) 4.600 1.701 ( -2.625 -0.000 0.062) 2.626 1.720 ( -3.360 0.000 -0.848) 3.465 1.722 ( -4.135 -0.000 -2.662) 4.918 1.901 ( -1.994 0.000 0.203) 2.005 1.904 ( -2.118 -0.000 -0.420) 2.159 1.945 ( -5.823 -0.000 0.258) 5.828 1.947 ( -5.515 0.000 -0.125) 5.516 2.267 ( -7.229 -0.000 1.638) 7.412 2.279 ( -6.971 0.000 -0.980) 7.039 2.479 ( -4.519 0.000 1.818) 4.871 2.494 ( -3.938 0.000 -1.541) 4.228 2.897 ( -12.413 -0.000 0.127) 12.414 2.899 ( -12.535 0.000 -0.375) 12.540 3.645 ( 10.458 -0.000 2.136) 10.673 3.668 ( 10.645 -0.000 -2.718) 10.986 3.678 ( 3.464 0.000 1.066) 3.625 3.688 ( 3.264 0.000 -1.212) 3.482 4.521 ( -1.644 -0.000 1.108) 1.982 4.532 ( -1.923 0.000 -1.287) 2.314 4.811 ( -4.804 -0.000 3.295) 5.825 4.836 ( -4.467 0.000 -2.170) 4.966 8.786 ( 2.751 0.000 1.476) 3.122 8.800 ( 2.212 -0.000 -1.542) 2.696 9.317 ( 4.051 -0.000 0.866) 4.142 9.335 ( 4.455 0.000 -3.159) 5.462 9.533 ( 0.369 -0.000 2.027) 2.061 9.550 ( 0.096 0.000 -1.646) 1.649 9.755 ( 3.436 -0.000 1.081) 3.602 9.764 ( 3.501 0.000 -0.987) 3.637 9.858 ( -3.910 -0.000 3.820) 5.467 9.891 ( -4.166 -0.000 -3.388) 5.370 10.113 ( -0.490 -0.000 1.163) 1.262 10.124 ( -0.348 0.000 -1.318) 1.363 10.227 ( -0.379 0.000 0.341) 0.510 10.230 ( 0.001 -0.000 -0.242) 0.242 10.282 ( 0.724 -0.000 2.121) 2.241 10.303 ( 1.041 0.000 -2.632) 2.830 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -1.972 0.956 0.160) 2.198 0.750 ( -0.739 0.351 2.614) 2.739 0.925 ( -3.011 -3.318 0.318) 4.492 0.962 ( 0.101 -1.729 -0.552) 1.818 1.016 ( -6.597 0.622 -1.311) 6.754 1.152 ( -2.324 -1.040 -3.072) 3.990 1.181 ( -5.765 -0.460 3.034) 6.531 1.253 ( -7.409 -0.175 -2.639) 7.867 1.294 ( -3.548 -0.470 0.285) 3.590 1.353 ( -5.836 -2.494 0.819) 6.399 1.396 ( -5.625 1.045 1.479) 5.909 1.433 ( -2.211 0.448 -0.421) 2.295 1.458 ( 4.051 -0.798 3.127) 5.179 1.496 ( 2.821 0.301 0.295) 2.852 1.545 ( 6.531 2.350 -0.816) 6.989 1.577 ( 3.649 1.132 -0.081) 3.822 1.608 ( 4.152 -0.499 -2.796) 5.031 1.649 ( -0.170 -0.710 -0.427) 0.846 1.671 ( 3.868 1.952 0.507) 4.362 1.713 ( 4.177 0.512 2.265) 4.779 1.751 ( 0.518 -0.384 0.518) 0.827 1.765 ( 3.812 -0.243 -0.477) 3.850 1.945 ( -1.763 1.291 0.132) 2.189 2.016 ( -1.411 2.257 0.362) 2.686 2.026 ( 1.395 -2.007 0.366) 2.471 2.086 ( 2.895 0.258 -0.279) 2.920 2.366 ( 0.942 1.418 -0.418) 1.753 2.410 ( 2.410 0.183 0.120) 2.419 2.439 ( 7.125 0.152 -0.011) 7.126 2.449 ( 6.619 -0.213 -0.002) 6.622 3.806 ( -2.032 0.234 0.434) 2.091 3.815 ( -1.063 0.263 -0.153) 1.106 4.056 ( -8.571 1.662 0.735) 8.761 4.142 ( -10.668 -0.794 0.564) 10.712 4.314 ( 7.421 0.154 -0.418) 7.435 4.335 ( 6.035 -0.571 -0.102) 6.063 4.619 ( 0.506 0.720 0.048) 0.881 4.676 ( 1.675 -1.087 0.088) 1.999 8.852 ( -0.627 0.280 1.202) 1.384 8.893 ( -1.321 0.029 -1.242) 1.814 9.318 ( -0.774 -0.483 1.738) 1.963 9.382 ( -1.810 -1.582 -2.749) 3.651 9.558 ( 1.431 2.852 1.823) 3.676 9.693 ( -1.005 1.843 -0.431) 2.143 9.709 ( 1.494 -2.424 1.756) 3.345 9.753 ( 0.354 -0.497 -1.566) 1.681 9.942 ( -4.880 0.523 0.495) 4.933 9.968 ( -4.876 0.140 -0.709) 4.929 10.037 ( 5.473 -0.131 0.842) 5.539 10.063 ( 4.961 -0.240 -1.009) 5.068 10.144 ( -1.198 1.055 0.196) 1.608 10.216 ( 0.970 -0.760 0.542) 1.346 10.287 ( -0.692 -0.129 -0.033) 0.705 10.289 ( -0.643 -0.331 -0.058) 0.726 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.256 3.619 1.018) 3.964 0.771 ( 1.916 3.407 -0.368) 3.926 0.897 ( 2.703 -2.274 -0.175) 3.537 0.929 ( -2.096 -3.536 -0.562) 4.149 1.095 ( 1.016 3.017 0.404) 3.209 1.177 ( 1.757 -1.499 -0.070) 2.311 1.292 ( -0.599 1.926 1.580) 2.562 1.302 ( -1.480 2.087 0.202) 2.566 1.370 ( 0.839 0.328 1.866) 2.072 1.386 ( 2.408 2.483 -0.966) 3.591 1.406 ( 4.310 -0.624 0.206) 4.360 1.437 ( -2.988 0.415 0.998) 3.178 1.448 ( -4.839 0.526 -0.904) 4.951 1.472 ( -2.249 -1.544 -0.885) 2.868 1.515 ( 2.738 2.729 0.112) 3.867 1.556 ( -2.329 -0.545 1.239) 2.694 1.601 ( -3.719 0.119 -2.121) 4.283 1.628 ( 0.046 -0.871 0.389) 0.955 1.653 ( 1.896 -0.911 0.602) 2.188 1.665 ( -1.137 -1.339 -0.989) 2.016 1.727 ( -0.407 0.453 0.095) 0.617 1.768 ( -2.701 -1.332 0.300) 3.026 1.914 ( 5.569 -1.144 0.381) 5.698 1.924 ( 4.828 -0.981 -0.951) 5.017 2.088 ( -2.844 1.364 0.444) 3.185 2.101 ( -4.148 0.248 0.292) 4.166 2.366 ( -0.534 -0.072 0.681) 0.869 2.385 ( -0.227 -0.714 -0.332) 0.820 2.448 ( -7.290 0.309 0.266) 7.301 2.454 ( -7.042 0.102 -0.136) 7.044 3.805 ( 2.235 0.302 0.089) 2.257 3.812 ( 1.725 -0.189 0.108) 1.739 4.063 ( 9.338 0.921 1.571) 9.514 4.105 ( 10.987 -0.622 -1.543) 11.112 4.339 ( -6.960 0.401 0.634) 7.000 4.349 ( -7.631 0.174 -0.319) 7.639 4.648 ( -2.674 0.963 1.140) 3.062 4.678 ( -2.539 -0.178 -0.839) 2.680 8.855 ( 1.234 1.043 0.219) 1.630 8.891 ( 0.846 -1.054 -0.070) 1.353 9.334 ( -0.062 1.538 0.383) 1.587 9.393 ( -1.587 -1.871 -1.156) 2.712 9.551 ( 2.211 2.891 0.744) 3.715 9.647 ( 2.799 -2.627 0.492) 3.870 9.733 ( -2.109 1.160 -0.079) 2.408 9.764 ( -1.825 -0.638 -0.258) 1.950 9.936 ( 5.528 0.288 0.286) 5.542 9.957 ( 5.332 -0.835 -0.306) 5.406 10.039 ( -4.786 0.423 0.181) 4.808 10.050 ( -3.822 -0.197 -0.486) 3.858 10.179 ( -1.376 0.335 1.367) 1.968 10.197 ( 0.300 -0.232 -0.798) 0.884 10.293 ( 0.106 0.523 0.431) 0.686 10.307 ( -0.807 0.381 -0.623) 1.088 ======================= Grid point 146 (62/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 7.586 0.535 -0.000) 7.605 0.684 ( 6.643 -0.110 -0.000) 6.644 0.864 ( 5.551 1.473 -0.000) 5.743 0.885 ( 6.892 -0.978 -0.000) 6.961 1.064 ( 1.449 1.930 0.000) 2.414 1.090 ( 2.652 -1.008 -0.000) 2.837 1.214 ( 9.127 1.991 -0.000) 9.342 1.240 ( 7.300 0.308 -0.000) 7.306 1.277 ( 8.959 1.426 -0.000) 9.072 1.315 ( 5.438 -1.940 -0.000) 5.774 1.481 ( -4.134 4.959 0.000) 6.456 1.490 ( 4.880 3.480 0.000) 5.993 1.534 ( 3.483 -2.017 -0.000) 4.025 1.540 ( -4.393 1.841 0.000) 4.763 1.541 ( -5.544 -1.705 0.000) 5.800 1.581 ( 0.854 -2.502 -0.000) 2.644 1.596 ( -7.261 1.163 0.000) 7.354 1.645 ( -1.240 0.625 0.000) 1.389 1.655 ( -0.392 -0.572 -0.000) 0.694 1.665 ( -4.231 -5.791 -0.000) 7.172 1.798 ( -5.949 0.906 0.000) 6.018 1.816 ( -5.559 -1.352 0.000) 5.721 1.879 ( -2.114 0.030 0.000) 2.114 1.887 ( -1.911 -0.805 0.000) 2.074 2.162 ( -4.065 1.542 0.000) 4.347 2.177 ( -4.355 -0.389 0.000) 4.373 2.408 ( -3.702 -0.061 0.000) 3.703 2.414 ( -3.825 -0.849 0.000) 3.918 2.652 ( -13.471 0.149 0.000) 13.472 2.654 ( -13.547 -0.067 0.000) 13.547 3.749 ( 3.844 0.282 -0.000) 3.854 3.754 ( 3.837 -0.452 -0.000) 3.863 3.866 ( 12.278 0.509 -0.000) 12.288 3.874 ( 12.650 -0.523 -0.000) 12.661 4.461 ( -5.036 0.729 0.000) 5.088 4.468 ( -4.964 -0.143 0.000) 4.966 4.731 ( -4.565 1.241 0.000) 4.731 4.743 ( -4.684 -0.271 0.000) 4.691 8.830 ( 2.338 1.177 -0.000) 2.618 8.850 ( 2.463 -1.294 -0.000) 2.782 9.344 ( 1.252 3.015 0.000) 3.265 9.388 ( 0.377 -2.532 -0.000) 2.560 9.539 ( 1.492 2.571 0.000) 2.972 9.582 ( 1.948 -2.725 -0.000) 3.350 9.786 ( -2.231 0.563 0.000) 2.301 9.793 ( -1.326 -0.357 0.000) 1.373 9.851 ( 3.367 0.507 -0.000) 3.405 9.863 ( 3.592 -0.901 -0.000) 3.703 10.100 ( -1.762 0.132 0.000) 1.767 10.105 ( -1.970 -0.536 0.000) 2.042 10.200 ( -1.219 1.403 0.000) 1.859 10.213 ( -1.428 -0.409 0.000) 1.486 10.291 ( 1.107 1.568 0.000) 1.919 10.315 ( -0.517 -1.217 -0.000) 1.322 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -3.005 0.642 -0.151) 3.077 0.724 ( -6.925 1.571 1.999) 7.377 0.855 ( -4.901 -2.143 0.621) 5.385 0.868 ( -7.880 -2.688 -1.521) 8.463 0.995 ( 2.666 -1.363 -0.197) 3.001 1.065 ( -6.091 0.986 2.654) 6.716 1.094 ( -6.037 1.563 -3.584) 7.193 1.133 ( -4.827 -3.651 -0.657) 6.088 1.248 ( -3.443 -3.397 0.134) 4.839 1.255 ( -6.069 -1.727 -0.404) 6.323 1.354 ( 0.433 -1.645 3.170) 3.598 1.385 ( 0.674 -0.817 -3.527) 3.682 1.524 ( 1.312 0.367 0.642) 1.506 1.568 ( 2.630 -1.029 1.096) 3.029 1.584 ( -0.835 0.654 0.527) 1.184 1.599 ( -2.217 1.539 -0.838) 2.826 1.675 ( 7.333 2.314 -0.368) 7.698 1.706 ( 1.411 -0.346 0.733) 1.628 1.730 ( -0.120 0.596 1.001) 1.171 1.743 ( 5.010 -0.052 -1.268) 5.168 1.815 ( 5.946 1.671 0.898) 6.242 1.862 ( 5.779 0.746 -0.220) 5.832 1.927 ( 1.380 1.482 -0.008) 2.025 1.968 ( 0.058 4.035 0.286) 4.045 2.082 ( 3.244 -1.465 -0.095) 3.561 2.151 ( 4.506 -1.247 -0.153) 4.678 2.382 ( 3.339 2.524 -0.599) 4.228 2.463 ( 3.623 0.483 -0.008) 3.655 2.649 ( 13.585 -0.093 -0.011) 13.585 2.650 ( 14.436 0.087 0.006) 14.436 3.744 ( -3.974 0.670 0.020) 4.030 3.774 ( -3.086 0.159 0.014) 3.090 3.845 ( -11.618 1.669 0.018) 11.737 3.937 ( -11.886 -0.718 0.566) 11.922 4.429 ( 4.604 -0.386 -0.045) 4.621 4.452 ( 5.230 -1.000 -0.084) 5.326 4.640 ( 2.200 0.486 -0.442) 2.296 4.745 ( 3.733 -2.071 0.201) 4.274 8.829 ( -3.071 0.114 1.203) 3.300 8.849 ( -1.598 0.222 -1.329) 2.090 9.319 ( -1.835 -2.099 3.133) 4.195 9.349 ( -1.681 -2.040 -3.508) 4.392 9.559 ( 0.338 2.234 0.983) 2.464 9.661 ( -0.492 1.875 0.199) 1.949 9.735 ( 0.151 0.074 -0.032) 0.172 9.770 ( -0.778 -1.246 -0.555) 1.570 9.869 ( -4.671 -0.009 0.623) 4.712 9.886 ( -0.694 -0.337 -0.454) 0.895 10.101 ( -0.219 0.376 -0.020) 0.436 10.122 ( 1.383 -1.192 -0.306) 1.851 10.156 ( 4.936 1.623 0.330) 5.206 10.225 ( -0.474 0.791 0.026) 0.922 10.267 ( -1.080 -0.116 0.023) 1.086 10.320 ( 2.487 -2.314 0.152) 3.400 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.884 1.300 0.000) 2.289 0.762 ( -0.003 0.833 0.000) 0.833 0.928 ( -2.068 -3.950 -0.000) 4.458 0.960 ( -2.127 -3.690 -0.000) 4.259 1.009 ( -5.550 2.670 0.000) 6.159 1.137 ( -3.043 -1.276 0.000) 3.300 1.202 ( -4.765 1.278 0.000) 4.934 1.235 ( -8.287 -1.280 0.000) 8.385 1.296 ( -3.738 -0.546 0.000) 3.778 1.356 ( -7.031 -2.940 0.000) 7.621 1.405 ( -2.611 1.663 0.000) 3.095 1.430 ( -4.799 0.358 0.000) 4.812 1.482 ( 3.743 0.106 -0.000) 3.745 1.492 ( 2.564 -0.177 -0.000) 2.570 1.541 ( 7.078 2.163 -0.000) 7.401 1.577 ( 3.457 1.288 -0.000) 3.690 1.593 ( 5.440 -0.818 -0.000) 5.502 1.647 ( -0.498 -0.628 -0.000) 0.802 1.673 ( 3.882 1.927 -0.000) 4.334 1.724 ( 4.253 0.537 -0.000) 4.287 1.754 ( 1.645 -0.698 -0.000) 1.787 1.761 ( 2.965 0.070 -0.000) 2.966 1.945 ( -1.707 1.434 0.000) 2.230 2.018 ( -1.053 2.075 0.000) 2.327 2.027 ( 1.006 -1.878 -0.000) 2.131 2.085 ( 2.781 0.381 -0.000) 2.807 2.364 ( 0.733 1.498 0.000) 1.668 2.411 ( 2.367 0.168 -0.000) 2.373 2.439 ( 7.110 0.197 -0.000) 7.113 2.449 ( 6.627 -0.225 -0.000) 6.631 3.808 ( -2.123 0.351 0.000) 2.151 3.814 ( -0.977 0.241 0.000) 1.007 4.060 ( -8.778 2.072 0.000) 9.019 4.145 ( -10.421 -1.031 0.000) 10.472 4.312 ( 7.499 0.187 -0.000) 7.501 4.334 ( 5.989 -0.581 -0.000) 6.017 4.619 ( 0.308 0.941 0.000) 0.991 4.677 ( 1.803 -1.199 -0.000) 2.166 8.859 ( -0.073 0.706 0.000) 0.710 8.886 ( -1.951 -0.362 0.000) 1.984 9.329 ( 0.073 -0.014 -0.000) 0.074 9.367 ( -2.586 -2.105 -0.000) 3.334 9.566 ( 1.547 2.960 0.000) 3.340 9.689 ( -1.077 1.915 0.000) 2.197 9.722 ( 2.747 -2.570 -0.000) 3.761 9.742 ( -0.914 -0.354 0.000) 0.980 9.945 ( -4.706 0.753 0.000) 4.766 9.965 ( -4.997 -0.117 0.000) 4.998 10.043 ( 5.725 0.212 -0.000) 5.729 10.056 ( 4.633 -0.745 -0.000) 4.692 10.145 ( -1.320 1.312 0.000) 1.861 10.219 ( 1.116 -0.716 -0.000) 1.326 10.287 ( -1.004 0.177 0.000) 1.020 10.289 ( -0.286 -0.699 -0.000) 0.755 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -9.724 5.785 0.000) 11.315 0.531 ( -10.094 2.075 0.000) 10.305 0.761 ( -2.511 0.021 0.000) 2.511 0.772 ( -7.019 -1.040 0.000) 7.096 0.943 ( -7.691 3.601 0.000) 8.492 0.995 ( -2.478 -1.023 0.000) 2.681 1.051 ( -5.819 -1.540 0.000) 6.019 1.057 ( -0.608 1.047 0.000) 1.210 1.152 ( -1.938 1.406 0.000) 2.395 1.245 ( -1.455 -0.360 0.000) 1.499 1.391 ( -1.233 -0.526 0.000) 1.341 1.392 ( -1.837 -0.452 0.000) 1.892 1.541 ( -1.335 0.306 0.000) 1.370 1.561 ( 3.329 -2.076 -0.000) 3.923 1.568 ( 1.122 -1.755 -0.000) 2.083 1.606 ( 0.898 -0.907 -0.000) 1.277 1.689 ( -1.617 0.504 0.000) 1.694 1.719 ( -0.413 -1.092 -0.000) 1.167 1.780 ( 5.950 4.593 0.000) 7.517 1.865 ( 5.185 -1.440 -0.000) 5.381 1.876 ( 1.795 -1.028 -0.000) 2.069 1.887 ( -1.864 2.335 0.000) 2.988 1.965 ( 2.902 0.419 -0.000) 2.932 1.980 ( 3.597 1.592 -0.000) 3.933 2.197 ( 8.482 -0.090 -0.000) 8.482 2.271 ( 7.289 -1.080 -0.000) 7.369 2.455 ( 6.356 1.583 -0.000) 6.550 2.526 ( 3.164 0.120 -0.000) 3.166 2.896 ( 12.749 -0.042 -0.000) 12.749 2.912 ( 13.183 -0.349 -0.000) 13.188 3.625 ( -9.703 0.998 0.000) 9.755 3.659 ( -5.386 0.146 0.000) 5.388 3.729 ( -2.341 0.575 0.000) 2.410 3.758 ( -7.430 -0.303 0.000) 7.437 4.485 ( 1.328 -0.626 -0.000) 1.468 4.532 ( 2.513 -1.707 -0.000) 3.038 4.676 ( 1.963 0.048 -0.000) 1.963 4.826 ( 2.842 -2.460 -0.000) 3.759 8.763 ( -3.441 0.469 0.000) 3.473 8.826 ( -1.141 -0.627 -0.000) 1.302 9.300 ( -4.015 -4.560 -0.000) 6.075 9.325 ( -1.800 -1.587 -0.000) 2.400 9.556 ( 0.723 0.886 0.000) 1.143 9.641 ( -0.596 1.512 0.000) 1.625 9.722 ( -3.782 -0.750 0.000) 3.855 9.730 ( -0.664 0.386 0.000) 0.768 9.786 ( -3.625 0.366 0.000) 3.643 9.943 ( 4.036 -2.104 -0.000) 4.551 10.092 ( 0.187 0.371 0.000) 0.416 10.136 ( -0.917 -1.510 -0.000) 1.766 10.202 ( -1.240 0.229 0.000) 1.261 10.212 ( 0.796 0.541 0.000) 0.963 10.264 ( 1.929 1.226 0.000) 2.286 10.390 ( 3.181 -0.955 -0.000) 3.321 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( -0.000 9.028 0.000) 9.028 0.423 ( -0.000 11.961 0.000) 11.961 0.627 ( -0.000 17.740 0.000) 17.740 0.792 ( -0.000 5.653 0.000) 5.653 0.817 ( -0.000 10.842 0.000) 10.842 0.834 ( 0.000 -3.573 -0.000) 3.573 0.913 ( -0.000 3.553 0.000) 3.553 0.956 ( 0.000 -1.971 -0.000) 1.971 1.142 ( -0.000 3.376 0.000) 3.376 1.216 ( -0.000 0.915 0.000) 0.915 1.308 ( -0.000 2.960 0.000) 2.960 1.380 ( 0.000 -1.099 -0.000) 1.099 1.530 ( 0.000 -1.017 -0.000) 1.017 1.551 ( 0.000 -1.045 -0.000) 1.045 1.614 ( 0.000 -2.338 -0.000) 2.338 1.676 ( 0.000 -3.308 -0.000) 3.308 1.691 ( 0.000 -1.083 -0.000) 1.083 1.704 ( 0.000 -2.285 -0.000) 2.285 1.822 ( -0.000 0.719 0.000) 0.719 1.893 ( 0.000 -0.525 -0.000) 0.525 1.926 ( 0.000 -0.853 -0.000) 0.853 1.941 ( 0.000 -0.664 -0.000) 0.664 2.044 ( 0.000 -1.346 -0.000) 1.346 2.070 ( 0.000 -3.415 -0.000) 3.415 2.455 ( -0.000 0.918 0.000) 0.918 2.488 ( -0.000 0.714 0.000) 0.714 2.514 ( 0.000 -0.274 -0.000) 0.274 2.608 ( 0.000 -0.963 -0.000) 0.963 3.100 ( -0.000 0.549 0.000) 0.549 3.144 ( 0.000 -0.254 -0.000) 0.254 3.456 ( -0.000 0.864 0.000) 0.864 3.496 ( -0.000 0.142 0.000) 0.142 3.686 ( -0.000 0.606 0.000) 0.606 3.692 ( -0.000 0.080 0.000) 0.080 4.494 ( 0.000 -0.519 -0.000) 0.519 4.559 ( 0.000 -2.410 -0.000) 2.410 4.711 ( 0.000 -0.270 -0.000) 0.270 4.867 ( 0.000 -3.073 -0.000) 3.073 8.695 ( -0.000 0.516 0.000) 0.516 8.800 ( 0.000 -1.445 -0.000) 1.445 9.080 ( -0.000 2.008 0.000) 2.008 9.266 ( 0.000 -1.374 -0.000) 1.374 9.590 ( -0.000 0.650 0.000) 0.650 9.621 ( -0.000 0.070 0.000) 0.070 9.623 ( 0.000 -1.427 -0.000) 1.427 9.631 ( 0.000 -1.405 -0.000) 1.405 9.761 ( -0.000 1.622 0.000) 1.622 10.020 ( 0.000 -3.969 -0.000) 3.969 10.113 ( 0.000 -0.361 -0.000) 0.361 10.113 ( 0.000 -0.664 -0.000) 0.664 10.182 ( -0.000 0.718 0.000) 0.718 10.187 ( -0.000 1.070 0.000) 1.070 10.334 ( -0.000 2.705 0.000) 2.705 10.462 ( 0.000 -0.146 -0.000) 0.146 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -7.852 7.355 1.512) 10.865 0.480 ( 0.481 10.889 0.784) 10.928 0.751 ( 3.112 5.847 -1.640) 6.823 0.768 ( 1.007 1.653 0.110) 1.939 0.853 ( -5.774 5.987 0.176) 8.320 0.938 ( -1.658 -2.554 0.536) 3.092 0.968 ( -3.156 2.212 -0.236) 3.862 1.017 ( -5.504 5.901 0.757) 8.105 1.189 ( 2.567 0.547 -0.967) 2.797 1.210 ( -2.821 2.064 0.288) 3.507 1.349 ( -1.027 0.634 -2.601) 2.868 1.380 ( -1.397 0.431 3.012) 3.348 1.512 ( -0.858 -1.113 -3.579) 3.845 1.560 ( 0.321 -2.559 1.434) 2.951 1.604 ( -0.300 -1.731 -0.484) 1.822 1.614 ( 2.684 -2.878 1.693) 4.284 1.666 ( 0.664 -1.121 -1.044) 1.669 1.699 ( -0.762 -1.555 1.739) 2.454 1.854 ( -2.655 1.479 0.111) 3.041 1.871 ( 1.274 1.154 -0.083) 1.721 1.914 ( 2.962 -0.157 -0.343) 2.986 1.915 ( 1.395 -0.746 -0.233) 1.599 2.003 ( 2.118 -1.281 -0.167) 2.481 2.021 ( 1.021 -1.152 0.231) 1.556 2.368 ( 9.091 0.493 0.410) 9.114 2.399 ( 6.453 -0.075 0.048) 6.454 2.552 ( 0.829 -0.027 -0.994) 1.295 2.566 ( 2.790 0.179 1.230) 3.055 3.076 ( 5.166 -0.475 -0.337) 5.199 3.081 ( 6.618 -0.290 0.229) 6.629 3.501 ( -4.578 0.975 0.180) 4.684 3.540 ( -5.197 -0.367 -0.101) 5.211 3.697 ( -0.922 0.537 -0.557) 1.203 3.702 ( -1.191 0.559 -0.191) 1.330 4.489 ( 0.011 -0.428 -0.089) 0.438 4.539 ( 0.294 -2.196 -0.254) 2.230 4.705 ( 0.939 -0.063 1.307) 1.611 4.835 ( 0.858 -3.310 -0.032) 3.420 8.718 ( -1.904 0.682 0.206) 2.032 8.797 ( -1.026 -1.361 -0.275) 1.726 9.174 ( -5.982 -1.228 -0.498) 6.127 9.277 ( -2.171 -1.796 1.175) 3.053 9.573 ( 1.124 0.111 -1.860) 2.176 9.616 ( -1.816 0.216 -0.652) 1.941 9.649 ( -2.987 -1.105 0.051) 3.185 9.679 ( -3.739 -0.896 0.398) 3.865 9.778 ( 0.182 1.784 1.600) 2.403 9.972 ( 1.796 -4.004 -0.482) 4.415 10.102 ( 0.508 -0.114 -0.166) 0.546 10.117 ( -0.522 -0.416 0.222) 0.704 10.191 ( -0.083 0.968 0.053) 0.973 10.200 ( -1.096 0.409 0.082) 1.173 10.332 ( 2.550 2.497 -0.161) 3.573 10.437 ( 2.302 -0.489 -0.493) 2.405 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -4.800 5.198 -0.527) 7.096 0.623 ( -6.482 6.001 0.373) 8.841 0.753 ( -1.912 0.472 -1.290) 2.355 0.788 ( -1.935 1.576 1.195) 2.767 0.956 ( -3.448 -3.405 -0.344) 4.859 0.995 ( -4.234 2.393 -1.078) 4.981 1.023 ( -3.363 -1.922 -0.010) 3.873 1.086 ( 1.750 1.313 2.270) 3.153 1.173 ( -2.348 0.684 0.284) 2.462 1.218 ( 1.203 -3.307 0.920) 3.637 1.326 ( 0.429 -2.615 -3.592) 4.464 1.411 ( 0.833 -1.633 4.503) 4.862 1.523 ( -2.171 0.221 -4.047) 4.598 1.538 ( -1.190 0.538 -0.259) 1.331 1.581 ( 0.211 -0.545 0.617) 0.850 1.597 ( 0.613 0.100 1.719) 1.828 1.679 ( -2.400 -0.081 -2.134) 3.213 1.713 ( -0.699 -0.645 1.150) 1.493 1.821 ( 6.343 0.597 -0.476) 6.389 1.847 ( 4.870 -0.918 0.581) 4.990 1.891 ( -0.209 2.909 0.162) 2.921 1.922 ( -1.115 2.112 -0.235) 2.400 1.969 ( 2.116 0.192 -0.230) 2.137 1.998 ( 0.852 0.520 0.474) 1.105 2.197 ( 9.448 0.000 -0.230) 9.451 2.252 ( 7.928 -1.299 0.253) 8.038 2.483 ( 4.738 1.429 0.263) 4.956 2.530 ( 3.298 0.155 0.864) 3.413 2.896 ( 12.671 0.050 0.013) 12.671 2.906 ( 12.683 -0.307 -0.134) 12.688 3.643 ( -9.632 0.977 0.201) 9.683 3.662 ( -6.852 0.200 0.079) 6.856 3.735 ( -2.739 0.391 -0.580) 2.827 3.749 ( -5.704 -0.140 -0.818) 5.764 4.478 ( 1.312 -0.311 0.070) 1.351 4.506 ( 1.868 -1.449 -0.052) 2.364 4.686 ( 1.904 0.409 0.939) 2.162 4.781 ( 2.358 -2.939 -0.170) 3.772 8.770 ( -2.957 0.473 -0.372) 3.017 8.817 ( -2.171 -0.576 0.562) 2.315 9.238 ( -3.379 -1.444 -2.315) 4.343 9.318 ( -2.331 -1.817 3.644) 4.692 9.565 ( -0.440 1.475 -1.918) 2.459 9.646 ( -1.733 0.144 -1.136) 2.078 9.707 ( -3.377 -1.017 -0.517) 3.564 9.737 ( -2.680 -0.416 0.685) 2.798 9.804 ( -1.583 1.321 1.213) 2.392 9.900 ( 2.301 -2.642 -0.368) 3.523 10.099 ( -0.260 0.300 0.033) 0.399 10.121 ( -0.155 -0.512 0.214) 0.577 10.212 ( -1.077 0.906 -0.117) 1.413 10.223 ( -0.729 0.636 0.064) 0.969 10.281 ( 4.002 1.300 -0.624) 4.254 10.369 ( 4.111 -1.539 -0.026) 4.390 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.054 -0.636 -2.812) 3.540 0.688 ( -0.163 -0.096 -3.696) 3.701 0.834 ( -4.156 -1.325 1.517) 4.618 0.872 ( -7.511 0.419 2.518) 7.933 0.985 ( 0.023 -0.468 0.688) 0.832 1.041 ( -5.504 -1.288 -2.536) 6.195 1.086 ( -6.878 -1.306 -0.494) 7.018 1.164 ( -3.020 1.650 3.454) 4.876 1.193 ( -4.818 -3.313 0.589) 5.877 1.229 ( -3.508 -2.144 2.231) 4.677 1.308 ( -2.004 -0.384 -3.147) 3.751 1.422 ( -1.059 0.616 3.483) 3.692 1.514 ( 2.988 -0.119 -2.355) 3.806 1.540 ( 0.971 -0.409 -2.204) 2.442 1.586 ( -1.185 0.339 -0.665) 1.400 1.627 ( -1.133 0.760 1.055) 1.724 1.691 ( 1.322 0.088 -0.821) 1.559 1.705 ( 5.168 0.421 0.890) 5.261 1.718 ( 1.667 -0.049 -1.302) 2.116 1.759 ( 3.276 0.005 1.258) 3.509 1.815 ( 7.846 0.627 -3.063) 8.446 1.879 ( 5.553 0.545 0.800) 5.637 1.962 ( 1.425 2.733 -0.094) 3.083 2.027 ( -0.464 3.313 -0.009) 3.345 2.052 ( 4.741 -1.704 -0.523) 5.064 2.129 ( 3.631 -1.970 0.454) 4.156 2.426 ( 3.253 1.929 0.777) 3.861 2.468 ( 3.661 -0.015 0.444) 3.688 2.648 ( 13.795 -0.011 -0.007) 13.795 2.650 ( 14.175 -0.033 -0.079) 14.175 3.752 ( -3.535 0.499 -0.478) 3.602 3.775 ( -3.360 -0.051 0.176) 3.365 3.866 ( -11.448 1.309 -0.980) 11.564 3.916 ( -12.179 -0.800 -0.907) 12.239 4.424 ( 4.496 -0.222 -0.167) 4.504 4.441 ( 4.670 -0.573 0.527) 4.734 4.653 ( 2.294 0.649 0.124) 2.387 4.709 ( 2.953 -1.944 -0.126) 3.537 8.814 ( -2.280 -0.138 -1.699) 2.847 8.870 ( -2.557 0.372 2.027) 3.284 9.267 ( -2.389 -1.060 -2.445) 3.579 9.360 ( -1.642 -1.019 3.991) 4.434 9.581 ( -0.229 2.608 -2.660) 3.732 9.675 ( -1.773 0.583 -0.625) 1.968 9.706 ( 0.914 -2.439 -1.650) 3.083 9.777 ( 0.178 0.079 2.127) 2.136 9.859 ( -3.492 -0.098 -0.921) 3.613 9.893 ( -3.528 0.077 1.115) 3.701 10.105 ( 1.721 0.113 0.163) 1.733 10.118 ( -0.416 -0.242 0.805) 0.938 10.179 ( 4.784 1.998 -1.292) 5.343 10.235 ( 1.173 0.523 -0.285) 1.315 10.263 ( -1.504 -0.274 -0.068) 1.530 10.281 ( 1.977 -2.239 0.019) 2.987 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -4.544 0.710 -2.098) 5.055 0.717 ( -6.055 0.089 -5.114) 7.926 0.890 ( -2.247 -2.008 3.666) 4.745 0.968 ( 2.880 0.026 3.031) 4.181 1.023 ( -6.990 0.025 -0.597) 7.015 1.121 ( -6.922 -1.436 -3.789) 8.021 1.180 ( -2.430 -0.335 3.048) 3.913 1.280 ( -6.047 0.991 0.496) 6.148 1.292 ( -3.972 0.545 -0.839) 4.096 1.314 ( -6.319 -1.844 -0.083) 6.583 1.376 ( -7.201 -0.335 -3.035) 7.822 1.426 ( 1.945 -0.268 -1.172) 2.287 1.439 ( 2.528 0.067 -0.124) 2.532 1.497 ( 1.644 0.345 -0.952) 1.931 1.583 ( 3.972 1.354 0.291) 4.207 1.592 ( 4.368 0.236 0.710) 4.431 1.636 ( 2.126 0.110 2.181) 3.048 1.642 ( 1.894 -0.427 1.594) 2.512 1.680 ( 4.064 0.439 -3.393) 5.312 1.706 ( 2.517 1.212 -0.709) 2.882 1.736 ( 0.995 -0.892 -0.317) 1.373 1.758 ( 4.893 -0.497 -0.338) 4.930 1.957 ( -1.219 0.730 -1.169) 1.840 1.992 ( 2.431 -1.330 -0.322) 2.789 2.051 ( 0.406 2.210 -0.144) 2.251 2.080 ( 1.264 -1.171 0.011) 1.723 2.389 ( 2.634 0.915 0.118) 2.791 2.407 ( 2.806 -0.322 0.025) 2.824 2.440 ( 7.105 0.056 -0.153) 7.107 2.446 ( 6.439 -0.080 0.062) 6.440 3.801 ( -1.832 0.020 -0.805) 2.001 3.819 ( -1.012 0.077 0.043) 1.015 4.056 ( -7.673 0.306 -2.622) 8.115 4.131 ( -11.378 -0.156 -0.013) 11.379 4.322 ( 6.758 0.280 0.486) 6.781 4.328 ( 5.978 -0.426 0.230) 5.997 4.621 ( 1.140 0.138 -1.141) 1.619 4.665 ( 0.367 -0.407 0.512) 0.750 8.839 ( -1.348 -0.073 -1.635) 2.121 8.910 ( -0.207 0.166 1.570) 1.592 9.294 ( -2.373 -0.309 -1.554) 2.853 9.399 ( -1.266 -0.388 3.649) 3.882 9.581 ( 1.032 2.883 -3.161) 4.401 9.641 ( 2.158 -2.841 -2.729) 4.492 9.720 ( -2.334 0.472 0.904) 2.547 9.762 ( 1.477 -0.130 1.555) 2.149 9.940 ( -5.207 0.088 -0.758) 5.262 9.982 ( -4.850 0.230 1.246) 5.013 10.027 ( 5.642 -0.083 -0.695) 5.685 10.076 ( 5.734 0.219 1.591) 5.954 10.151 ( 0.165 0.554 -1.538) 1.643 10.192 ( -0.182 -1.004 -0.617) 1.192 10.281 ( -0.764 -0.122 -0.214) 0.803 10.295 ( -1.774 0.210 0.391) 1.829 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 2.494 0.000 -2.603) 3.605 0.793 ( -1.654 0.000 -1.124) 2.000 0.902 ( 3.160 -0.000 1.646) 3.563 0.941 ( -1.749 -0.000 3.395) 3.819 1.080 ( 1.125 0.000 -2.740) 2.962 1.164 ( 6.025 -0.000 -0.774) 6.074 1.255 ( -8.876 0.000 -2.952) 9.355 1.272 ( 2.132 0.000 -4.031) 4.561 1.329 ( 0.269 0.000 -1.242) 1.271 1.373 ( -0.701 0.000 -1.109) 1.312 1.433 ( 2.898 -0.000 -0.057) 2.898 1.465 ( -4.979 -0.000 2.570) 5.603 1.478 ( -4.013 0.000 1.503) 4.285 1.482 ( 2.851 -0.000 1.940) 3.449 1.527 ( -5.941 0.000 -0.625) 5.974 1.538 ( 1.907 -0.000 -0.870) 2.096 1.572 ( 3.180 0.000 -1.806) 3.657 1.631 ( 1.578 0.000 -0.847) 1.791 1.671 ( 0.583 -0.000 1.646) 1.747 1.682 ( -4.416 -0.000 2.311) 4.984 1.728 ( -2.655 0.000 -0.829) 2.782 1.731 ( 0.765 0.000 -1.104) 1.343 1.910 ( 3.425 -0.000 0.348) 3.443 1.943 ( 5.829 -0.000 1.875) 6.123 2.063 ( -5.727 0.000 -2.328) 6.182 2.097 ( -1.630 0.000 -0.753) 1.795 2.345 ( 1.856 0.000 -1.004) 2.110 2.385 ( -1.083 0.000 0.149) 1.093 2.440 ( -6.995 0.000 -0.613) 7.022 2.457 ( -7.025 0.000 0.035) 7.025 3.802 ( 2.714 -0.000 -0.386) 2.741 3.805 ( 1.183 -0.000 -0.354) 1.235 4.023 ( 8.864 -0.000 -2.168) 9.125 4.142 ( 11.049 -0.000 1.698) 11.179 4.325 ( -8.586 0.000 -0.843) 8.627 4.355 ( -6.667 0.000 -0.023) 6.667 4.617 ( -1.562 0.000 -1.969) 2.514 4.699 ( -3.626 0.000 0.826) 3.718 8.847 ( -0.277 0.000 -0.926) 0.966 8.891 ( 2.630 -0.000 0.418) 2.663 9.332 ( -2.105 0.000 -0.283) 2.124 9.434 ( -0.957 -0.000 3.676) 3.799 9.564 ( 2.808 0.000 -2.068) 3.488 9.572 ( 0.466 0.000 -2.793) 2.832 9.744 ( 0.735 -0.000 0.086) 0.740 9.772 ( -2.436 0.000 0.828) 2.573 9.925 ( 4.690 -0.000 -0.536) 4.720 9.965 ( 5.803 -0.000 0.623) 5.836 10.037 ( -4.769 0.000 -0.016) 4.769 10.069 ( -3.223 0.000 1.409) 3.518 10.144 ( -1.059 0.000 -2.376) 2.602 10.203 ( -0.579 0.000 0.148) 0.597 10.285 ( 0.201 0.000 -0.452) 0.495 10.330 ( -1.541 -0.000 0.943) 1.807 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -0.000 8.219 5.410) 9.840 0.431 ( -0.000 11.723 1.827) 11.865 0.632 ( -0.000 16.845 1.054) 16.878 0.785 ( -0.000 6.232 -1.413) 6.390 0.793 ( -0.000 7.694 -4.209) 8.770 0.837 ( 0.000 -0.327 0.092) 0.340 0.927 ( -0.000 3.789 2.660) 4.630 0.962 ( 0.000 -1.953 1.335) 2.366 1.137 ( -0.000 3.440 -1.131) 3.622 1.207 ( 0.000 0.686 -2.003) 2.117 1.311 ( -0.000 2.902 0.695) 2.984 1.380 ( 0.000 -0.816 -0.026) 0.816 1.488 ( 0.000 -0.850 -4.485) 4.564 1.597 ( 0.000 -2.454 -3.290) 4.105 1.599 ( -0.000 -1.544 6.008) 6.203 1.671 ( 0.000 -2.732 -0.364) 2.756 1.704 ( 0.000 -2.102 0.180) 2.110 1.710 ( -0.000 -1.269 2.942) 3.204 1.824 ( -0.000 0.723 0.444) 0.849 1.890 ( 0.000 -0.424 -0.626) 0.756 1.923 ( 0.000 -0.744 -0.643) 0.983 1.936 ( 0.000 -0.203 -1.143) 1.161 2.042 ( 0.000 -1.338 -0.317) 1.375 2.062 ( 0.000 -2.605 -1.493) 3.002 2.456 ( -0.000 0.923 0.294) 0.968 2.496 ( -0.000 0.475 1.646) 1.714 2.512 ( 0.000 -0.216 -0.424) 0.476 2.606 ( 0.000 -0.782 -0.423) 0.889 3.101 ( -0.000 0.539 0.281) 0.608 3.143 ( 0.000 -0.225 -0.126) 0.258 3.457 ( -0.000 0.891 0.317) 0.945 3.494 ( -0.000 0.211 -0.237) 0.318 3.684 ( 0.000 0.733 -1.695) 1.846 3.684 ( -0.000 0.673 -0.602) 0.903 4.490 ( 0.000 -0.425 -0.525) 0.676 4.556 ( 0.000 -2.303 -0.808) 2.441 4.735 ( -0.000 -1.709 4.667) 4.970 4.867 ( 0.000 -3.119 0.032) 3.119 8.698 ( -0.000 0.495 0.488) 0.695 8.796 ( 0.000 -1.348 -0.904) 1.623 9.086 ( -0.000 2.066 1.283) 2.432 9.267 ( 0.000 -1.135 0.018) 1.135 9.556 ( 0.000 1.470 -4.638) 4.865 9.617 ( 0.000 -0.015 -0.885) 0.885 9.632 ( 0.000 -1.394 0.202) 1.409 9.642 ( 0.000 -2.079 1.894) 2.813 9.783 ( -0.000 0.719 4.271) 4.331 10.015 ( 0.000 -3.871 -1.151) 4.038 10.113 ( 0.000 -0.382 0.023) 0.383 10.113 ( 0.000 -0.681 0.103) 0.689 10.184 ( -0.000 0.716 0.243) 0.756 10.188 ( -0.000 1.066 0.107) 1.071 10.334 ( -0.000 2.746 0.112) 2.749 10.450 ( 0.000 0.687 -2.599) 2.688 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -6.624 6.629 3.988) 10.184 0.494 ( 0.634 10.551 2.188) 10.794 0.729 ( 2.724 5.597 -2.978) 6.900 0.763 ( 0.551 2.334 -1.571) 2.867 0.856 ( -5.388 5.557 0.363) 7.749 0.948 ( -0.860 -1.925 1.610) 2.653 0.967 ( -4.058 2.688 0.207) 4.872 1.028 ( -5.015 5.061 1.550) 7.291 1.175 ( 1.499 0.258 -1.917) 2.447 1.209 ( -3.283 2.028 -0.744) 3.930 1.330 ( 0.378 -0.063 -1.211) 1.270 1.408 ( -2.708 1.542 2.798) 4.188 1.474 ( -1.092 -0.988 -4.063) 4.322 1.559 ( 1.236 -3.260 -1.673) 3.868 1.603 ( -0.397 -1.565 0.039) 1.615 1.639 ( 1.793 -1.935 3.611) 4.472 1.656 ( 1.960 -1.484 -0.819) 2.591 1.720 ( -0.322 -1.198 2.456) 2.751 1.856 ( -2.369 1.533 0.257) 2.833 1.869 ( 0.973 1.378 -0.194) 1.698 1.908 ( 2.816 -0.273 -0.893) 2.966 1.911 ( 1.413 -0.302 -0.590) 1.561 2.001 ( 1.516 -1.030 -0.209) 1.844 2.024 ( 1.116 -1.278 0.364) 1.735 2.375 ( 9.227 0.285 0.955) 9.281 2.400 ( 6.605 -0.065 0.130) 6.606 2.544 ( 1.485 -0.074 -0.828) 1.702 2.579 ( 1.863 0.641 1.421) 2.429 3.073 ( 5.546 -0.191 -0.402) 5.564 3.083 ( 6.372 -0.342 0.146) 6.383 3.504 ( -4.570 0.984 0.494) 4.701 3.538 ( -5.151 -0.196 -0.299) 5.164 3.688 ( -0.936 0.776 -1.156) 1.678 3.698 ( -1.235 0.740 -0.612) 1.564 4.488 ( -0.177 -0.404 -0.007) 0.441 4.534 ( 0.180 -1.988 -0.710) 2.119 4.726 ( 1.468 -1.027 2.986) 3.482 4.835 ( 0.923 -3.302 -0.128) 3.431 8.722 ( -1.819 0.572 0.574) 1.992 8.792 ( -1.241 -1.131 -0.753) 1.840 9.168 ( -4.533 -0.567 -0.628) 4.612 9.294 ( -3.333 -1.493 2.266) 4.298 9.545 ( 0.249 0.715 -3.612) 3.690 9.608 ( -0.934 0.387 -1.078) 1.478 9.651 ( -2.998 -1.312 0.277) 3.284 9.681 ( -3.751 -1.451 -0.007) 4.022 9.803 ( 0.566 1.037 3.525) 3.718 9.963 ( 1.772 -3.669 -1.360) 4.296 10.099 ( 0.452 -0.196 -0.290) 0.572 10.120 ( -0.507 -0.385 0.422) 0.764 10.192 ( -0.101 0.960 0.138) 0.976 10.201 ( -0.978 0.432 0.212) 1.090 10.329 ( 2.825 2.499 -0.439) 3.797 10.429 ( 1.788 0.009 -1.145) 2.123 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -3.686 3.606 -1.445) 5.355 0.629 ( -4.084 6.350 1.043) 7.622 0.746 ( -3.274 1.366 -0.184) 3.552 0.794 ( -2.938 1.972 -0.019) 3.538 0.952 ( -2.932 -2.827 -0.344) 4.087 0.985 ( -3.121 1.488 -0.943) 3.584 1.024 ( -2.950 -2.986 0.169) 4.201 1.111 ( -0.094 1.406 2.930) 3.251 1.177 ( -3.036 0.981 0.401) 3.216 1.224 ( 0.611 -3.626 0.317) 3.690 1.304 ( 0.454 -2.309 -1.051) 2.577 1.441 ( 0.891 -1.506 0.583) 1.845 1.494 ( -2.891 0.344 -1.002) 3.079 1.536 ( -0.858 0.491 -0.093) 0.993 1.579 ( 0.950 -1.052 -0.626) 1.550 1.611 ( 1.022 0.696 0.843) 1.497 1.661 ( -2.272 0.068 -1.269) 2.603 1.719 ( 0.425 -0.686 0.201) 0.831 1.817 ( 5.951 0.711 -0.334) 6.003 1.853 ( 4.254 -0.708 0.597) 4.354 1.893 ( -0.037 2.775 0.293) 2.791 1.919 ( -0.841 2.303 -0.413) 2.486 1.966 ( 2.545 0.075 -0.294) 2.563 2.004 ( 0.754 0.926 0.670) 1.370 2.195 ( 9.745 -0.673 -0.314) 9.773 2.255 ( 7.872 -1.030 0.372) 7.948 2.486 ( 3.982 0.953 0.421) 4.116 2.541 ( 3.923 0.778 1.284) 4.200 2.896 ( 12.586 0.074 -0.026) 12.587 2.904 ( 12.735 -0.270 -0.166) 12.739 3.645 ( -9.464 0.747 0.319) 9.499 3.663 ( -7.172 0.272 0.263) 7.182 3.727 ( -3.649 0.175 -1.257) 3.863 3.740 ( -4.407 0.326 -1.009) 4.533 4.479 ( 1.357 -0.419 0.115) 1.425 4.505 ( 1.641 -1.183 -0.074) 2.025 4.697 ( 2.230 -0.337 1.431) 2.671 4.779 ( 2.477 -2.703 -0.311) 3.679 8.766 ( -2.363 0.037 -0.487) 2.412 8.824 ( -2.882 -0.066 0.787) 2.988 9.218 ( -2.905 -1.170 -1.843) 3.634 9.355 ( -2.411 -1.439 4.299) 5.135 9.540 ( -0.693 1.485 -3.293) 3.678 9.634 ( -1.764 0.640 -1.395) 2.339 9.705 ( -3.082 -1.951 0.033) 3.648 9.739 ( -3.597 -0.844 -0.220) 3.701 9.820 ( -0.569 1.283 2.077) 2.507 9.895 ( 1.996 -2.031 -0.740) 2.943 10.099 ( -0.687 0.036 0.025) 0.688 10.124 ( 0.069 -0.253 0.379) 0.460 10.210 ( -0.513 1.071 -0.203) 1.205 10.224 ( -0.815 0.614 0.090) 1.025 10.274 ( 3.755 0.959 -0.922) 3.983 10.368 ( 4.062 -1.227 -0.059) 4.244 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -2.446 -1.907 -5.295) 6.137 0.673 ( 0.790 0.086 -0.726) 1.076 0.851 ( -4.334 -0.159 2.075) 4.807 0.888 ( -7.050 0.419 1.079) 7.144 0.993 ( -0.412 -0.405 0.687) 0.898 1.018 ( -5.455 -1.150 -2.080) 5.950 1.084 ( -7.640 -2.926 -0.250) 8.185 1.184 ( -2.733 -1.214 0.617) 3.053 1.204 ( -5.206 -1.010 1.563) 5.529 1.254 ( -3.544 -0.685 3.069) 4.738 1.292 ( -1.162 -1.138 -0.063) 1.627 1.441 ( -0.917 0.918 0.198) 1.313 1.494 ( 4.180 -0.853 -2.037) 4.727 1.522 ( 0.258 -0.240 -0.962) 1.024 1.581 ( -0.893 0.270 -0.436) 1.030 1.635 ( -1.013 0.947 0.723) 1.564 1.679 ( -0.051 0.253 -1.569) 1.590 1.701 ( 0.317 -0.012 -2.356) 2.377 1.716 ( 5.948 0.890 1.059) 6.107 1.768 ( 5.586 -0.103 0.728) 5.634 1.791 ( 7.747 0.067 -1.755) 7.944 1.884 ( 5.449 0.555 0.381) 5.491 1.961 ( 1.722 2.558 -0.134) 3.086 2.027 ( 0.195 3.946 -0.000) 3.951 2.048 ( 4.171 -2.222 -0.420) 4.744 2.134 ( 3.627 -1.989 0.407) 4.156 2.434 ( 3.144 1.366 0.859) 3.534 2.472 ( 4.219 0.422 0.475) 4.266 2.648 ( 13.830 -0.086 -0.021) 13.830 2.649 ( 14.081 -0.009 -0.085) 14.082 3.747 ( -3.273 0.233 -0.506) 3.320 3.777 ( -3.273 0.117 0.250) 3.285 3.856 ( -11.167 0.564 -1.231) 11.249 3.907 ( -12.454 -0.285 -0.986) 12.497 4.422 ( 4.490 -0.337 -0.154) 4.505 4.446 ( 4.563 -0.433 0.554) 4.617 4.654 ( 2.582 -0.114 0.104) 2.587 4.708 ( 2.952 -1.466 -0.120) 3.298 8.801 ( -2.087 -0.298 -1.248) 2.449 8.888 ( -2.651 0.527 1.649) 3.166 9.248 ( -2.435 -1.019 -1.674) 3.126 9.397 ( -1.332 -0.860 4.038) 4.338 9.553 ( -0.219 2.452 -3.319) 4.132 9.662 ( -1.012 0.073 -1.991) 2.234 9.700 ( 0.019 -2.450 0.064) 2.451 9.792 ( -0.409 0.174 1.296) 1.370 9.853 ( -2.784 -0.011 -0.472) 2.824 9.902 ( -3.791 0.319 0.826) 3.893 10.108 ( 2.321 0.225 0.626) 2.414 10.125 ( -1.535 -0.278 0.783) 1.745 10.165 ( 4.668 1.534 -1.725) 5.207 10.232 ( 2.123 0.557 -0.355) 2.223 10.263 ( -1.680 -0.204 -0.040) 1.693 10.281 ( 1.922 -2.029 -0.045) 2.796 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -6.637 -0.258 -4.075) 7.792 0.689 ( -4.598 -0.053 -1.444) 4.819 0.927 ( -2.679 -1.059 4.397) 5.257 0.982 ( 0.892 0.562 0.546) 1.187 1.027 ( -4.505 0.765 0.582) 4.606 1.085 ( -6.376 -2.835 -3.348) 7.740 1.209 ( -4.966 -0.999 2.736) 5.757 1.261 ( -0.104 0.048 -3.921) 3.922 1.288 ( -5.390 1.332 0.052) 5.552 1.315 ( -2.060 -1.261 0.440) 2.455 1.364 ( -8.105 -1.043 -0.191) 8.175 1.423 ( -0.627 0.001 0.280) 0.686 1.438 ( 2.869 -0.034 0.002) 2.869 1.486 ( -0.314 0.351 -1.478) 1.551 1.583 ( 2.180 1.016 -0.021) 2.405 1.604 ( 5.940 0.468 1.491) 6.142 1.635 ( 2.945 0.411 -3.230) 4.390 1.640 ( 2.555 -0.281 -0.907) 2.725 1.674 ( 1.753 0.081 2.440) 3.005 1.705 ( 1.760 1.480 0.234) 2.312 1.731 ( 0.594 -0.862 -0.681) 1.249 1.752 ( 5.736 -0.673 -0.811) 5.832 1.947 ( -1.644 0.195 -0.936) 1.902 1.990 ( 2.845 -1.079 -0.211) 3.050 2.050 ( 0.533 2.364 -0.108) 2.426 2.080 ( 1.664 -1.318 -0.014) 2.123 2.391 ( 3.004 0.554 0.148) 3.058 2.407 ( 2.956 -0.064 -0.035) 2.957 2.439 ( 7.295 0.004 -0.124) 7.296 2.447 ( 6.366 -0.056 0.030) 6.367 3.795 ( -1.936 -0.066 -0.638) 2.040 3.819 ( -0.831 0.059 -0.009) 0.833 4.034 ( -7.312 -0.125 -1.970) 7.574 4.129 ( -11.749 0.063 -0.360) 11.755 4.326 ( 4.952 0.111 0.189) 4.956 4.331 ( 7.668 -0.277 0.444) 7.686 4.611 ( 1.486 -0.180 -0.884) 1.739 4.669 ( 0.204 -0.213 0.310) 0.429 8.826 ( -1.473 -0.180 -1.090) 1.841 8.922 ( 0.202 0.233 1.030) 1.076 9.283 ( -2.791 -0.349 -0.842) 2.936 9.432 ( -1.142 -0.306 3.590) 3.779 9.551 ( 0.819 2.622 -3.319) 4.308 9.618 ( 2.036 -2.729 -2.272) 4.093 9.728 ( -2.451 0.303 0.730) 2.575 9.774 ( 1.906 0.001 0.944) 2.127 9.934 ( -5.294 0.036 -0.475) 5.316 9.992 ( -4.854 0.306 0.923) 4.950 10.023 ( 5.814 -0.051 -0.243) 5.819 10.089 ( 6.049 0.739 1.057) 6.185 10.138 ( 0.747 -0.447 -1.156) 1.447 10.185 ( -1.112 -0.626 -0.756) 1.483 10.280 ( -0.635 -0.174 -0.125) 0.670 10.298 ( -1.987 0.253 0.252) 2.019 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 1.292 0.000 -1.518) 1.994 0.785 ( -2.691 0.000 -0.594) 2.756 0.915 ( 4.626 -0.000 1.193) 4.777 0.969 ( -0.759 -0.000 2.500) 2.613 1.057 ( 1.238 0.000 -2.157) 2.487 1.153 ( 7.429 -0.000 -1.410) 7.562 1.234 ( -9.550 0.000 -1.602) 9.683 1.241 ( 1.603 0.000 -2.451) 2.928 1.322 ( -0.546 0.000 -0.490) 0.734 1.366 ( -0.928 0.000 -0.523) 1.065 1.433 ( 2.502 -0.000 0.003) 2.502 1.485 ( -4.342 0.000 1.658) 4.648 1.491 ( -1.188 -0.000 1.267) 1.737 1.500 ( 3.616 -0.000 1.734) 4.010 1.523 ( -5.936 0.000 -0.428) 5.952 1.531 ( -0.500 0.000 -0.630) 0.804 1.556 ( 2.562 0.000 -1.736) 3.095 1.622 ( 0.675 0.000 -0.948) 1.163 1.686 ( -0.484 -0.000 1.574) 1.647 1.698 ( -4.417 0.000 1.211) 4.580 1.720 ( 1.958 0.000 -1.292) 2.345 1.722 ( -2.427 0.000 -0.457) 2.470 1.913 ( 2.776 -0.000 0.274) 2.790 1.959 ( 5.977 -0.000 1.543) 6.173 2.043 ( -6.617 0.000 -1.858) 6.873 2.091 ( -1.126 0.000 -0.557) 1.256 2.338 ( 2.423 -0.000 -0.531) 2.480 2.386 ( -1.177 0.000 0.051) 1.178 2.435 ( -6.991 0.000 -0.415) 7.003 2.457 ( -6.976 0.000 -0.011) 6.976 3.799 ( 2.835 -0.000 -0.234) 2.844 3.802 ( 0.941 -0.000 -0.243) 0.972 4.007 ( 8.486 -0.000 -1.200) 8.570 4.153 ( 11.019 -0.000 0.876) 11.054 4.319 ( -8.799 0.000 -0.450) 8.810 4.354 ( -6.568 0.000 -0.082) 6.568 4.602 ( -1.161 0.000 -1.166) 1.646 4.705 ( -3.756 0.000 0.395) 3.777 8.841 ( -0.582 0.000 -0.512) 0.775 8.894 ( 3.001 -0.000 0.176) 3.006 9.332 ( -2.515 0.000 0.061) 2.515 9.467 ( -1.079 -0.000 3.587) 3.746 9.544 ( -0.052 0.000 -3.210) 3.210 9.547 ( 2.713 0.000 -1.332) 3.022 9.745 ( 1.392 -0.000 0.087) 1.395 9.778 ( -2.293 0.000 0.451) 2.337 9.922 ( 4.448 -0.000 -0.270) 4.457 9.969 ( 5.618 -0.000 0.297) 5.626 10.038 ( -4.653 0.000 0.077) 4.654 10.084 ( -3.061 -0.000 1.717) 3.510 10.123 ( -1.090 0.000 -2.309) 2.553 10.204 ( -0.588 0.000 0.016) 0.588 10.282 ( 0.288 0.000 -0.213) 0.358 10.337 ( -1.845 0.000 0.518) 1.916 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.844 -0.000 -0.000) 0.844 0.782 ( -3.020 0.000 0.000) 3.020 0.921 ( 5.401 -0.000 -0.000) 5.401 0.981 ( -0.389 0.000 0.000) 0.389 1.045 ( 0.953 -0.000 -0.000) 0.953 1.145 ( 7.617 -0.000 -0.000) 7.617 1.227 ( -9.460 0.000 0.000) 9.460 1.230 ( 1.453 -0.000 -0.000) 1.453 1.319 ( -0.865 0.000 0.000) 0.865 1.363 ( -1.008 0.000 0.000) 1.008 1.433 ( 2.327 -0.000 -0.000) 2.327 1.493 ( -3.721 0.000 0.000) 3.721 1.498 ( 1.570 -0.000 -0.000) 1.570 1.509 ( 3.171 -0.000 -0.000) 3.171 1.521 ( -4.915 0.000 0.000) 4.915 1.527 ( -3.111 0.000 0.000) 3.111 1.546 ( 1.662 -0.000 -0.000) 1.662 1.617 ( 0.314 -0.000 -0.000) 0.314 1.696 ( -2.867 0.000 0.000) 2.867 1.704 ( -4.558 0.000 0.000) 4.558 1.711 ( 4.350 -0.000 -0.000) 4.350 1.720 ( -2.134 0.000 0.000) 2.134 1.914 ( 2.532 -0.000 -0.000) 2.532 1.967 ( 6.466 -0.000 -0.000) 6.466 2.034 ( -7.381 0.000 0.000) 7.381 2.088 ( -0.936 0.000 0.000) 0.936 2.335 ( 2.631 -0.000 -0.000) 2.631 2.386 ( -1.178 0.000 0.000) 1.178 2.433 ( -7.014 0.000 0.000) 7.014 2.457 ( -6.959 0.000 0.000) 6.959 3.798 ( 2.876 -0.000 -0.000) 2.876 3.801 ( 0.853 -0.000 -0.000) 0.853 4.002 ( 8.348 -0.000 -0.000) 8.348 4.157 ( 10.969 -0.000 -0.000) 10.969 4.317 ( -8.849 0.000 0.000) 8.849 4.354 ( -6.539 0.000 0.000) 6.539 4.597 ( -1.009 0.000 0.000) 1.009 4.706 ( -3.799 0.000 0.000) 3.799 8.838 ( -0.688 0.000 0.000) 0.688 8.895 ( 3.131 -0.000 -0.000) 3.131 9.332 ( -2.681 0.000 0.000) 2.681 9.491 ( -1.400 0.000 0.000) 1.400 9.522 ( 0.048 -0.000 -0.000) 0.048 9.541 ( 2.686 -0.000 -0.000) 2.686 9.745 ( 1.608 -0.000 -0.000) 1.608 9.780 ( -2.227 0.000 0.000) 2.227 9.920 ( 4.358 -0.000 -0.000) 4.358 9.970 ( 5.513 -0.000 -0.000) 5.513 10.038 ( -4.572 0.000 0.000) 4.572 10.098 ( -5.170 0.000 0.000) 5.170 10.105 ( 1.063 -0.000 -0.000) 1.063 10.204 ( -0.595 0.000 0.000) 0.595 10.281 ( 0.313 -0.000 -0.000) 0.313 10.339 ( -1.956 0.000 0.000) 1.956 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -0.000 6.925 8.189) 10.724 0.455 ( -0.000 11.116 3.265) 11.586 0.641 ( -0.000 13.834 0.519) 13.844 0.747 ( -0.000 6.585 -5.769) 8.755 0.771 ( -0.000 8.221 -1.153) 8.301 0.834 ( -0.000 1.793 -0.652) 1.908 0.956 ( -0.000 3.751 3.502) 5.131 0.980 ( 0.000 -1.883 2.651) 3.252 1.121 ( -0.000 3.455 -2.367) 4.189 1.181 ( 0.000 0.153 -3.608) 3.611 1.321 ( -0.000 2.722 1.350) 3.039 1.379 ( 0.000 -0.141 -0.302) 0.333 1.459 ( 0.000 -1.050 -1.907) 2.177 1.561 ( 0.000 -2.398 -4.175) 4.815 1.647 ( 0.000 -2.399 4.072) 4.727 1.670 ( 0.000 -2.665 0.030) 2.665 1.709 ( 0.000 -1.321 1.213) 1.793 1.737 ( -0.000 -0.715 2.795) 2.885 1.829 ( -0.000 0.782 0.736) 1.074 1.881 ( 0.000 0.029 -1.167) 1.167 1.915 ( 0.000 -0.448 -1.135) 1.220 1.922 ( 0.000 0.650 -1.628) 1.753 2.039 ( 0.000 -1.322 -0.444) 1.395 2.048 ( 0.000 -1.584 -1.374) 2.097 2.460 ( -0.000 0.886 0.656) 1.103 2.507 ( 0.000 -0.055 -0.787) 0.789 2.514 ( -0.000 0.329 2.216) 2.240 2.600 ( 0.000 -0.327 -0.910) 0.967 3.105 ( -0.000 0.509 0.571) 0.765 3.141 ( 0.000 -0.111 -0.385) 0.401 3.461 ( -0.000 0.956 0.556) 1.106 3.491 ( -0.000 0.398 -0.445) 0.597 3.667 ( -0.000 1.615 -1.700) 2.345 3.676 ( -0.000 0.860 -1.021) 1.335 4.488 ( 0.000 -0.516 0.048) 0.518 4.545 ( 0.000 -2.022 -1.414) 2.467 4.782 ( 0.000 -3.595 5.030) 6.183 4.867 ( 0.000 -3.253 -0.056) 3.253 8.704 ( -0.000 0.422 0.978) 1.065 8.784 ( 0.000 -1.080 -1.606) 1.936 9.104 ( -0.000 2.213 2.458) 3.307 9.261 ( 0.000 -0.113 -1.480) 1.484 9.524 ( -0.000 1.265 -1.939) 2.316 9.605 ( 0.000 -0.186 -1.692) 1.703 9.635 ( 0.000 -1.438 0.360) 1.483 9.652 ( 0.000 -2.191 0.336) 2.217 9.829 ( -0.000 -0.876 5.278) 5.350 10.000 ( 0.000 -3.624 -2.094) 4.186 10.113 ( 0.000 -0.437 0.059) 0.441 10.114 ( 0.000 -0.701 0.110) 0.710 10.186 ( -0.000 0.724 0.351) 0.805 10.189 ( -0.000 1.048 0.169) 1.061 10.336 ( -0.000 2.870 0.318) 2.887 10.420 ( -0.000 2.160 -3.486) 4.100 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -4.416 5.405 5.117) 8.654 0.519 ( 0.818 10.120 3.159) 10.633 0.699 ( 2.152 6.187 -3.505) 7.430 0.740 ( -0.660 2.418 -3.318) 4.158 0.859 ( -4.759 5.277 0.299) 7.113 0.963 ( -0.131 0.853 1.322) 1.578 0.977 ( -4.379 0.811 2.302) 5.014 1.043 ( -4.560 4.213 1.634) 6.419 1.154 ( 0.272 -0.055 -2.745) 2.759 1.196 ( -4.344 1.657 -1.905) 5.024 1.327 ( 1.127 0.065 0.295) 1.167 1.430 ( -3.876 2.277 1.677) 4.798 1.443 ( 0.021 -1.199 -2.412) 2.693 1.539 ( -0.561 -2.002 -2.362) 3.147 1.603 ( 1.350 -2.310 -0.142) 2.679 1.648 ( 2.039 -2.304 -0.535) 3.123 1.676 ( 2.421 -0.969 3.790) 4.601 1.740 ( 0.479 -0.929 1.823) 2.101 1.859 ( -1.778 1.727 0.253) 2.492 1.867 ( 0.471 1.729 -0.232) 1.807 1.899 ( 2.729 -0.036 -1.002) 2.907 1.905 ( 1.081 -0.149 -0.732) 1.313 2.000 ( 0.999 -0.857 -0.091) 1.319 2.027 ( 0.979 -1.274 0.251) 1.626 2.384 ( 9.443 0.039 0.967) 9.492 2.401 ( 6.792 -0.043 0.163) 6.794 2.538 ( 1.536 0.048 -0.535) 1.628 2.591 ( 1.381 1.171 1.199) 2.172 3.070 ( 5.835 0.033 -0.275) 5.841 3.084 ( 6.290 -0.254 0.012) 6.296 3.509 ( -4.576 0.973 0.701) 4.731 3.535 ( -5.057 0.106 -0.481) 5.081 3.678 ( -0.898 0.983 -1.058) 1.700 3.691 ( -1.305 0.988 -0.776) 1.811 4.490 ( -0.306 -0.494 0.358) 0.682 4.526 ( -0.023 -1.625 -1.006) 1.912 4.755 ( 2.009 -2.143 3.055) 4.238 4.833 ( 1.018 -3.265 -0.294) 3.433 8.728 ( -1.601 0.335 0.814) 1.827 8.783 ( -1.660 -0.707 -1.025) 2.075 9.165 ( -2.795 0.145 -0.053) 2.799 9.313 ( -4.909 -0.336 1.587) 5.170 9.516 ( 0.526 0.412 -2.538) 2.625 9.597 ( -0.817 0.363 -1.306) 1.583 9.654 ( -3.028 -1.386 0.461) 3.362 9.679 ( -3.701 -1.785 -0.506) 4.140 9.837 ( 0.971 0.087 3.803) 3.926 9.947 ( 1.722 -3.083 -2.053) 4.084 10.097 ( 0.446 -0.267 -0.234) 0.570 10.124 ( -0.558 -0.374 0.371) 0.767 10.193 ( -0.139 0.940 0.161) 0.964 10.203 ( -0.799 0.480 0.254) 0.966 10.324 ( 3.258 2.506 -0.559) 4.148 10.418 ( 1.048 0.632 -1.139) 1.672 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -1.540 2.213 -1.551) 3.110 0.640 ( -2.546 6.197 1.218) 6.810 0.749 ( -4.625 2.707 0.690) 5.403 0.789 ( -3.986 2.251 -1.038) 4.694 0.949 ( -3.034 -1.738 -0.506) 3.533 0.980 ( -1.572 -0.035 -0.146) 1.579 1.026 ( -2.666 -3.936 0.253) 4.761 1.137 ( -1.469 1.023 2.589) 3.148 1.178 ( -3.351 0.833 -0.292) 3.465 1.225 ( -0.875 -3.227 0.159) 3.347 1.305 ( 0.332 -1.820 0.990) 2.098 1.418 ( -0.471 -1.141 -3.852) 4.045 1.510 ( -1.383 0.099 2.852) 3.172 1.538 ( -0.902 0.585 0.571) 1.217 1.571 ( 1.762 -1.005 -1.178) 2.346 1.607 ( -0.397 0.564 -1.485) 1.637 1.661 ( -0.170 0.114 0.940) 0.962 1.716 ( 1.685 -0.566 -0.768) 1.937 1.815 ( 5.413 0.991 -0.049) 5.503 1.857 ( 3.643 -0.630 0.399) 3.718 1.896 ( 0.242 2.560 0.347) 2.595 1.915 ( -0.650 2.560 -0.459) 2.681 1.964 ( 2.896 -0.011 -0.225) 2.905 2.009 ( 0.733 1.347 0.561) 1.633 2.192 ( 9.989 -1.293 -0.248) 10.075 2.258 ( 7.862 -0.858 0.317) 7.915 2.490 ( 3.334 0.603 0.385) 3.410 2.552 ( 4.450 1.312 1.095) 4.767 2.896 ( 12.457 0.111 -0.085) 12.458 2.903 ( 12.829 -0.247 -0.090) 12.832 3.648 ( -9.136 0.387 0.260) 9.148 3.667 ( -8.033 0.442 0.590) 8.067 3.713 ( -4.124 0.104 -1.607) 4.427 3.732 ( -3.119 0.664 -0.699) 3.264 4.480 ( 1.475 -0.599 0.105) 1.595 4.505 ( 1.337 -0.835 -0.059) 1.577 4.710 ( 2.554 -1.253 1.291) 3.124 4.775 ( 2.617 -2.319 -0.359) 3.515 8.762 ( -1.896 -0.286 -0.380) 1.955 8.830 ( -3.495 0.338 0.654) 3.572 9.205 ( -2.500 -0.877 -1.069) 2.857 9.395 ( -2.386 -0.697 4.295) 4.963 9.507 ( -0.910 1.170 -3.784) 4.064 9.622 ( -1.753 0.671 -1.131) 2.192 9.707 ( -2.842 -2.659 0.326) 3.906 9.735 ( -4.111 -0.888 -0.639) 4.254 9.839 ( 0.097 0.868 2.182) 2.351 9.887 ( 1.634 -1.214 -1.120) 2.323 10.099 ( -1.087 -0.207 0.002) 1.106 10.128 ( 0.189 -0.001 0.387) 0.430 10.208 ( 0.247 1.275 -0.222) 1.317 10.224 ( -0.864 0.609 0.075) 1.060 10.266 ( 3.350 0.567 -0.775) 3.485 10.368 ( 4.022 -0.928 -0.068) 4.128 ======================= Grid point 195 (82/125) ======================= q-point: ( 0.78 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -2.225 -2.314 -3.264) 4.578 0.668 ( 1.189 -0.447 -0.326) 1.312 0.869 ( -4.805 1.053 1.752) 5.221 0.894 ( -6.595 0.421 0.277) 6.614 0.987 ( -0.575 -0.663 -1.434) 1.681 1.012 ( -6.018 -1.596 0.347) 6.236 1.081 ( -7.873 -3.523 -0.204) 8.628 1.183 ( -3.604 -2.404 -0.470) 4.358 1.217 ( -3.285 -0.581 1.413) 3.623 1.268 ( -3.059 0.308 -0.085) 3.075 1.317 ( -1.873 -1.419 4.883) 5.420 1.425 ( -1.969 0.606 -3.380) 3.959 1.475 ( 4.437 -0.909 -1.715) 4.843 1.529 ( 1.664 -0.102 1.801) 2.455 1.577 ( -0.955 0.256 -0.457) 1.089 1.641 ( -1.419 1.241 0.514) 1.954 1.665 ( 0.391 0.055 -1.320) 1.378 1.675 ( 1.169 0.446 -2.711) 2.986 1.725 ( 5.622 0.895 0.737) 5.740 1.771 ( 8.226 -0.401 -0.006) 8.236 1.784 ( 4.932 -0.070 -0.058) 4.932 1.886 ( 5.480 0.480 0.145) 5.502 1.960 ( 1.960 2.455 -0.102) 3.143 2.027 ( 0.790 4.491 0.005) 4.560 2.045 ( 3.689 -2.637 -0.207) 4.539 2.136 ( 3.598 -2.041 0.225) 4.143 2.441 ( 3.004 0.864 0.556) 3.175 2.476 ( 4.763 0.828 0.287) 4.843 2.648 ( 13.871 -0.166 -0.024) 13.872 2.649 ( 13.979 0.021 -0.049) 13.979 3.743 ( -3.073 0.040 -0.318) 3.090 3.779 ( -3.039 0.281 0.234) 3.061 3.845 ( -11.068 -0.116 -0.904) 11.106 3.900 ( -12.682 0.131 -0.618) 12.698 4.421 ( 4.483 -0.400 -0.094) 4.502 4.451 ( 4.474 -0.349 0.350) 4.501 4.655 ( 2.844 -0.803 0.045) 2.956 4.707 ( 2.944 -1.023 -0.064) 3.117 8.792 ( -1.962 -0.400 -0.662) 2.109 8.900 ( -2.685 0.625 0.941) 2.913 9.237 ( -2.467 -0.985 -0.847) 2.788 9.432 ( -0.963 -0.744 3.486) 3.692 9.523 ( -0.398 2.375 -3.121) 3.942 9.645 ( -0.449 -0.733 -1.396) 1.639 9.702 ( -0.594 -2.021 0.208) 2.117 9.801 ( -1.223 0.112 0.521) 1.334 9.850 ( -1.876 0.108 -0.103) 1.882 9.908 ( -4.001 0.517 0.437) 4.058 10.116 ( 2.441 0.443 1.061) 2.699 10.131 ( -2.055 -0.223 0.346) 2.096 10.149 ( 4.419 0.934 -1.580) 4.785 10.229 ( 3.026 0.633 -0.254) 3.102 10.262 ( -1.795 -0.146 -0.015) 1.801 10.281 ( 1.862 -1.905 -0.058) 2.664 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -7.174 -0.488 -1.551) 7.356 0.680 ( -4.561 -0.359 -0.508) 4.604 0.967 ( -1.783 -0.553 3.700) 4.145 0.986 ( -1.643 0.065 0.489) 1.716 1.014 ( -5.083 2.164 -3.037) 6.304 1.071 ( -3.635 -3.900 -0.086) 5.332 1.225 ( -6.904 -1.032 0.402) 6.993 1.232 ( -0.113 -0.461 -1.476) 1.550 1.287 ( -5.533 0.630 -0.177) 5.571 1.321 ( 4.543 -0.224 0.605) 4.589 1.364 ( -7.924 -1.444 0.153) 8.056 1.426 ( -1.631 0.110 0.342) 1.670 1.442 ( 2.076 -0.067 0.911) 2.268 1.470 ( -3.165 0.330 -1.684) 3.600 1.586 ( 3.814 0.885 0.651) 3.969 1.604 ( 1.262 0.716 -2.238) 2.667 1.619 ( 5.857 0.262 1.085) 5.963 1.633 ( 3.077 -0.223 -0.925) 3.221 1.694 ( 0.485 0.736 1.435) 1.684 1.708 ( 2.795 1.167 0.279) 3.042 1.724 ( -1.125 -0.758 -0.633) 1.497 1.745 ( 7.048 -1.061 -0.536) 7.148 1.941 ( -1.742 -0.072 -0.341) 1.776 1.988 ( 3.041 -0.976 -0.072) 3.195 2.049 ( 0.494 2.459 -0.046) 2.509 2.080 ( 1.963 -1.411 -0.005) 2.417 2.392 ( 3.230 0.315 0.071) 3.246 2.407 ( 3.007 0.111 -0.028) 3.009 2.438 ( 7.448 -0.022 -0.049) 7.448 2.447 ( 6.337 -0.049 0.008) 6.337 3.790 ( -1.991 -0.119 -0.243) 2.010 3.819 ( -0.716 0.047 -0.006) 0.717 4.022 ( -7.187 -0.335 -0.731) 7.232 4.126 ( -11.844 0.126 -0.190) 11.846 4.326 ( 4.289 -0.033 0.018) 4.289 4.335 ( 8.204 -0.141 0.231) 8.208 4.605 ( 1.684 -0.332 -0.334) 1.749 4.671 ( 0.131 -0.142 0.102) 0.218 8.819 ( -1.530 -0.235 -0.383) 1.595 8.928 ( 0.454 0.262 0.359) 0.635 9.278 ( -3.061 -0.372 -0.255) 3.094 9.461 ( -1.280 -0.399 2.311) 2.672 9.524 ( 0.882 2.553 -2.204) 3.487 9.602 ( 2.025 -2.629 -0.890) 3.436 9.733 ( -2.515 0.221 0.266) 2.539 9.780 ( 2.108 0.074 0.312) 2.132 9.931 ( -5.337 0.012 -0.162) 5.339 9.998 ( -4.514 0.304 0.308) 4.535 10.022 ( 5.543 0.028 0.029) 5.543 10.095 ( 5.756 1.437 0.214) 5.936 10.132 ( 2.007 -1.488 -0.254) 2.512 10.179 ( -2.069 -0.371 -0.386) 2.137 10.279 ( -0.573 -0.195 -0.042) 0.607 10.300 ( -2.107 0.272 0.085) 2.126 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -0.000 6.409 8.604) 10.729 0.489 ( -0.000 10.396 3.895) 11.102 0.635 ( -0.000 9.573 -1.865) 9.753 0.690 ( 0.000 5.726 -6.570) 8.715 0.770 ( 0.000 10.552 1.097) 10.609 0.825 ( 0.000 4.460 -1.400) 4.675 0.990 ( 0.000 3.464 3.780) 5.127 1.010 ( -0.000 -1.660 3.818) 4.163 1.095 ( -0.000 3.242 -3.248) 4.589 1.143 ( 0.000 -0.451 -4.652) 4.673 1.335 ( -0.000 2.420 1.704) 2.960 1.374 ( -0.000 0.643 -0.780) 1.011 1.453 ( -0.000 -1.316 0.427) 1.383 1.523 ( 0.000 -2.104 -4.012) 4.530 1.670 ( -0.000 -3.225 1.050) 3.392 1.671 ( 0.000 -2.776 0.148) 2.780 1.729 ( 0.000 -0.345 2.937) 2.957 1.759 ( 0.000 -0.219 1.786) 1.799 1.837 ( 0.000 1.012 0.849) 1.321 1.869 ( 0.000 0.877 -1.436) 1.682 1.904 ( 0.000 -0.060 -1.136) 1.138 1.908 ( 0.000 0.908 -1.386) 1.657 2.035 ( 0.000 -1.302 -0.339) 1.346 2.038 ( -0.000 -1.241 -0.759) 1.455 2.468 ( 0.000 0.795 0.955) 1.243 2.498 ( -0.000 0.178 -1.043) 1.058 2.535 ( -0.000 0.500 2.266) 2.321 2.589 ( 0.000 0.196 -1.427) 1.441 3.111 ( 0.000 0.457 0.824) 0.942 3.136 ( -0.000 0.069 -0.692) 0.695 3.467 ( -0.000 1.009 0.699) 1.227 3.486 ( 0.000 0.638 -0.605) 0.880 3.655 ( -0.000 1.883 -0.807) 2.049 3.666 ( 0.000 1.132 -1.114) 1.588 4.492 ( 0.000 -0.747 0.768) 1.071 4.531 ( -0.000 -1.658 -1.699) 2.374 4.822 ( 0.000 -4.232 3.497) 5.490 4.866 ( -0.000 -3.472 -0.358) 3.491 8.716 ( 0.000 0.272 1.446) 1.472 8.767 ( -0.000 -0.708 -1.990) 2.113 9.131 ( 0.000 2.370 3.424) 4.164 9.239 ( -0.000 1.286 -3.355) 3.594 9.521 ( 0.000 0.186 1.030) 1.046 9.586 ( -0.000 -0.398 -2.364) 2.397 9.638 ( -0.000 -1.541 0.481) 1.614 9.652 ( 0.000 -2.039 -0.267) 2.057 9.875 ( 0.000 -1.925 4.726) 5.103 9.977 ( -0.000 -3.302 -2.811) 4.336 10.114 ( -0.000 -0.508 0.088) 0.516 10.115 ( -0.000 -0.689 0.045) 0.690 10.189 ( -0.000 0.763 0.294) 0.818 10.191 ( 0.000 1.004 0.151) 1.015 10.341 ( 0.000 3.064 0.707) 3.144 10.390 ( 0.000 3.089 -3.046) 4.339 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.924 3.840 4.022) 5.637 0.550 ( 0.470 10.093 3.386) 10.656 0.668 ( 1.125 6.998 -2.947) 7.676 0.706 ( -2.374 2.376 -3.669) 4.974 0.861 ( -4.177 5.298 0.154) 6.748 0.972 ( -1.065 2.229 0.732) 2.576 1.004 ( -2.876 0.192 2.895) 4.085 1.058 ( -3.724 3.069 1.470) 5.045 1.126 ( -1.393 -0.152 -3.140) 3.439 1.179 ( -5.136 1.372 -1.556) 5.539 1.332 ( 1.320 0.256 0.508) 1.438 1.422 ( 0.205 -0.709 -1.237) 1.440 1.447 ( -3.482 1.847 1.201) 4.120 1.519 ( -1.856 -0.669 -1.694) 2.600 1.602 ( 2.200 -2.688 -0.134) 3.476 1.645 ( 2.608 -2.456 -0.289) 3.595 1.707 ( 2.493 -1.062 2.814) 3.906 1.751 ( 1.365 -0.653 0.493) 1.591 1.861 ( -1.003 2.047 0.220) 2.290 1.865 ( -0.073 2.145 -0.222) 2.158 1.891 ( 2.604 0.215 -0.659) 2.694 1.899 ( 0.528 -0.271 -0.514) 0.785 1.999 ( 0.704 -0.780 -0.020) 1.051 2.029 ( 0.785 -1.203 0.117) 1.442 2.392 ( 9.732 -0.132 0.575) 9.750 2.402 ( 6.834 -0.014 0.116) 6.835 2.534 ( 1.478 0.208 -0.258) 1.515 2.600 ( 1.046 1.603 0.683) 2.033 3.068 ( 6.141 0.165 -0.110) 6.144 3.083 ( 6.167 -0.150 -0.047) 6.169 3.516 ( -4.614 0.887 0.774) 4.762 3.530 ( -4.935 0.463 -0.631) 4.997 3.670 ( -0.803 0.973 -0.559) 1.380 3.685 ( -1.389 1.254 -0.557) 1.953 4.494 ( -0.251 -0.736 0.662) 1.021 4.517 ( -0.298 -1.180 -1.025) 1.591 4.779 ( 2.336 -2.922 1.997) 4.241 4.829 ( 1.067 -3.170 -0.410) 3.370 8.736 ( -1.170 -0.047 0.764) 1.398 8.774 ( -2.265 -0.159 -0.906) 2.445 9.166 ( -1.320 0.596 0.264) 1.472 9.321 ( -6.516 1.327 0.365) 6.660 9.501 ( 1.543 -0.746 -0.693) 1.849 9.585 ( -1.176 0.357 -1.083) 1.638 9.659 ( -3.076 -1.353 0.566) 3.408 9.673 ( -3.620 -2.026 -0.659) 4.200 9.870 ( 1.284 -0.784 3.477) 3.788 9.926 ( 1.635 -2.351 -2.584) 3.857 10.095 ( 0.464 -0.310 -0.123) 0.571 10.127 ( -0.622 -0.371 0.206) 0.753 10.195 ( -0.181 0.915 0.106) 0.939 10.205 ( -0.647 0.532 0.177) 0.856 10.320 ( 3.640 2.517 -0.403) 4.444 10.410 ( 0.450 1.066 -0.659) 1.332 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.133 1.424 -0.646) 1.569 0.649 ( -1.689 5.938 0.561) 6.199 0.756 ( -5.288 4.285 0.684) 6.840 0.778 ( -4.753 1.781 -0.885) 5.152 0.944 ( -3.191 -1.055 -0.289) 3.373 0.980 ( -0.627 -0.991 0.089) 1.176 1.028 ( -2.336 -4.538 0.141) 5.105 1.156 ( -2.034 -0.120 1.592) 2.585 1.172 ( -3.402 0.662 -0.938) 3.590 1.229 ( -2.350 -1.698 0.413) 2.928 1.315 ( -0.532 -1.776 0.831) 2.031 1.388 ( 0.197 -1.170 -2.115) 2.425 1.533 ( -0.917 0.176 1.994) 2.202 1.544 ( -2.179 0.914 0.188) 2.370 1.560 ( 3.679 -1.268 -0.811) 3.975 1.593 ( -1.791 0.647 -1.219) 2.261 1.671 ( 1.277 -0.347 0.982) 1.647 1.708 ( 2.577 -0.162 -0.822) 2.710 1.815 ( 5.058 1.181 0.031) 5.194 1.860 ( 3.278 -0.610 0.137) 3.337 1.899 ( 0.594 2.293 0.203) 2.377 1.911 ( -0.722 2.843 -0.248) 2.943 1.962 ( 3.077 -0.052 -0.083) 3.078 2.013 ( 0.743 1.610 0.217) 1.786 2.190 ( 10.109 -1.635 -0.092) 10.241 2.261 ( 7.876 -0.800 0.123) 7.917 2.493 ( 2.991 0.446 0.156) 3.028 2.559 ( 4.728 1.596 0.425) 5.008 2.895 ( 12.377 0.135 -0.050) 12.378 2.903 ( 12.888 -0.238 -0.022) 12.890 3.650 ( -8.842 0.116 0.089) 8.844 3.673 ( -9.777 0.613 0.570) 9.812 3.700 ( -2.946 0.131 -0.970) 3.105 3.727 ( -2.659 0.774 -0.258) 2.781 4.480 ( 1.592 -0.751 0.042) 1.761 4.504 ( 1.106 -0.577 -0.021) 1.248 4.719 ( 2.741 -1.959 0.536) 3.411 4.773 ( 2.710 -1.938 -0.181) 3.337 8.760 ( -1.660 -0.442 -0.142) 1.723 8.835 ( -3.837 0.544 0.253) 3.884 9.199 ( -2.236 -0.694 -0.340) 2.366 9.432 ( -2.819 0.697 3.736) 4.732 9.473 ( -0.552 0.032 -3.557) 3.599 9.614 ( -1.753 0.573 -0.456) 1.900 9.709 ( -2.529 -3.333 0.238) 4.191 9.730 ( -4.507 -0.517 -0.376) 4.552 9.858 ( 0.373 0.174 1.822) 1.867 9.875 ( 1.428 -0.303 -1.434) 2.047 10.099 ( -1.305 -0.337 -0.003) 1.347 10.131 ( 0.180 0.141 0.169) 0.284 10.206 ( 0.857 1.419 -0.105) 1.661 10.225 ( -0.874 0.618 0.030) 1.071 10.261 ( 2.992 0.300 -0.296) 3.022 10.367 ( 4.002 -0.757 -0.030) 4.073 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -2.143 -2.494 -0.000) 3.288 0.667 ( 1.363 -0.636 -0.000) 1.504 0.878 ( -5.005 1.619 0.000) 5.260 0.894 ( -6.639 0.572 0.000) 6.663 0.980 ( -0.456 -1.359 -0.000) 1.434 1.014 ( -6.253 -1.471 0.000) 6.424 1.080 ( -7.913 -3.684 0.000) 8.728 1.180 ( -3.927 -2.697 -0.000) 4.764 1.226 ( -2.250 -0.310 0.000) 2.271 1.265 ( -2.703 -0.168 0.000) 2.708 1.351 ( -2.803 -0.967 0.000) 2.965 1.397 ( -2.394 0.251 0.000) 2.407 1.467 ( 4.719 -0.690 -0.000) 4.769 1.540 ( 2.493 -0.061 -0.000) 2.494 1.574 ( -1.272 0.245 0.000) 1.295 1.643 ( -1.658 1.579 0.000) 2.289 1.659 ( 0.700 -0.270 -0.000) 0.750 1.661 ( 1.761 0.555 -0.000) 1.846 1.728 ( 5.513 0.917 -0.000) 5.589 1.771 ( 8.369 -0.526 -0.000) 8.385 1.785 ( 4.420 -0.040 -0.000) 4.420 1.887 ( 5.508 0.436 -0.000) 5.525 1.959 ( 2.048 2.427 0.000) 3.176 2.027 ( 1.031 4.705 0.000) 4.816 2.044 ( 3.499 -2.797 -0.000) 4.480 2.138 ( 3.583 -2.066 -0.000) 4.136 2.444 ( 2.933 0.659 -0.000) 3.006 2.477 ( 4.996 0.998 -0.000) 5.095 2.647 ( 13.887 -0.198 -0.000) 13.889 2.648 ( 13.937 0.030 -0.000) 13.937 3.742 ( -2.999 -0.030 0.000) 2.999 3.780 ( -2.874 0.368 0.000) 2.897 3.841 ( -11.105 -0.401 0.000) 11.112 3.897 ( -12.766 0.282 0.000) 12.769 4.421 ( 4.481 -0.420 -0.000) 4.501 4.452 ( 4.439 -0.321 -0.000) 4.451 4.655 ( 2.950 -1.077 -0.000) 3.140 4.707 ( 2.939 -0.845 -0.000) 3.058 8.789 ( -1.918 -0.435 0.000) 1.967 8.904 ( -2.692 0.658 0.000) 2.771 9.233 ( -2.479 -0.973 0.000) 2.663 9.452 ( -0.683 -0.980 -0.000) 1.195 9.505 ( -0.617 2.626 0.000) 2.698 9.638 ( -0.295 -0.981 -0.000) 1.024 9.703 ( -0.756 -1.906 -0.000) 2.050 9.803 ( -1.613 0.070 0.000) 1.615 9.850 ( -1.446 0.158 0.000) 1.454 9.910 ( -4.087 0.595 0.000) 4.130 10.125 ( 0.875 0.793 0.000) 1.181 10.129 ( 1.332 0.138 -0.000) 1.339 10.141 ( 2.305 0.094 -0.000) 2.307 10.227 ( 3.418 0.675 -0.000) 3.484 10.262 ( -1.834 -0.124 0.000) 1.838 10.280 ( 1.834 -1.867 -0.000) 2.617 ======================= Grid point 213 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -0.000 7.464 6.028) 9.594 0.519 ( -0.000 9.696 1.981) 9.896 0.615 ( -0.000 6.743 -1.524) 6.913 0.632 ( 0.000 5.043 -5.254) 7.283 0.788 ( -0.000 10.017 2.342) 10.287 0.809 ( 0.000 7.455 -2.122) 7.751 1.024 ( 0.000 3.229 3.779) 4.971 1.046 ( -0.000 -0.003 2.614) 2.614 1.066 ( -0.000 1.754 -1.611) 2.382 1.098 ( 0.000 -0.993 -4.962) 5.060 1.351 ( -0.000 1.975 1.644) 2.569 1.364 ( -0.000 1.373 -1.283) 1.879 1.465 ( -0.000 -1.520 2.114) 2.603 1.490 ( 0.000 -1.768 -3.287) 3.732 1.673 ( 0.000 -2.965 0.162) 2.969 1.673 ( -0.000 -3.176 0.018) 3.176 1.755 ( 0.000 -0.156 2.272) 2.277 1.767 ( -0.000 -0.095 -0.163) 0.189 1.845 ( 0.000 1.431 1.035) 1.766 1.856 ( -0.000 1.512 -1.360) 2.034 1.896 ( 0.000 0.294 -0.340) 0.449 1.898 ( 0.000 0.628 -0.708) 0.947 2.033 ( 0.000 -1.267 -0.081) 1.269 2.034 ( -0.000 -1.221 -0.274) 1.251 2.477 ( 0.000 0.642 1.134) 1.303 2.488 ( -0.000 0.428 -1.165) 1.241 2.555 ( -0.000 0.657 2.145) 2.243 2.574 ( 0.000 0.566 -1.866) 1.950 3.120 ( 0.000 0.373 0.956) 1.026 3.128 ( -0.000 0.244 -0.909) 0.941 3.474 ( -0.000 0.985 0.748) 1.237 3.480 ( 0.000 0.855 -0.711) 1.112 3.652 ( -0.000 1.737 0.133) 1.742 3.657 ( 0.000 1.444 -0.811) 1.656 4.501 ( 0.000 -1.004 1.320) 1.659 4.515 ( -0.000 -1.304 -1.651) 2.104 4.847 ( 0.000 -4.103 1.998) 4.564 4.860 ( -0.000 -3.773 -0.969) 3.896 8.731 ( 0.000 0.025 1.832) 1.832 8.749 ( -0.000 -0.316 -2.045) 2.069 9.165 ( 0.000 2.412 4.062) 4.724 9.203 ( -0.000 2.140 -4.169) 4.686 9.538 ( 0.000 -0.464 2.481) 2.524 9.562 ( -0.000 -0.560 -2.734) 2.791 9.643 ( -0.000 -1.686 0.536) 1.770 9.648 ( 0.000 -1.859 -0.489) 1.922 9.915 ( 0.000 -2.522 4.014) 4.741 9.949 ( -0.000 -2.940 -3.404) 4.498 10.115 ( -0.000 -0.581 0.082) 0.586 10.115 ( 0.000 -0.644 -0.032) 0.645 10.191 ( -0.000 0.838 0.132) 0.849 10.192 ( 0.000 0.929 0.042) 0.930 10.350 ( 0.000 3.275 1.332) 3.535 10.366 ( 0.000 3.366 -2.170) 4.005 ======================= Grid point 214 (89/125) ======================= q-point: (-0.22 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 1.309 3.170 0.000) 3.429 0.569 ( 0.696 10.136 0.000) 10.160 0.653 ( 0.155 7.479 0.000) 7.481 0.685 ( -3.724 2.211 0.000) 4.331 0.862 ( -3.946 5.354 0.000) 6.651 0.976 ( -1.166 2.305 0.000) 2.583 1.019 ( -2.647 0.916 0.000) 2.801 1.067 ( -2.357 1.733 0.000) 2.926 1.107 ( -2.961 0.133 0.000) 2.964 1.172 ( -5.461 1.300 0.000) 5.614 1.334 ( 1.346 0.297 -0.000) 1.378 1.417 ( 0.887 -0.892 -0.000) 1.258 1.453 ( -3.821 1.923 0.000) 4.278 1.511 ( -2.340 -0.028 0.000) 2.340 1.601 ( 2.455 -2.808 -0.000) 3.730 1.643 ( 2.766 -2.524 -0.000) 3.744 1.722 ( 2.501 -1.310 -0.000) 2.824 1.752 ( 1.829 -0.365 -0.000) 1.865 1.863 ( -0.269 1.814 0.000) 1.834 1.864 ( -0.686 2.812 0.000) 2.894 1.887 ( 2.554 0.242 -0.000) 2.566 1.897 ( 0.223 -0.375 -0.000) 0.437 1.999 ( 0.611 -0.759 -0.000) 0.975 2.029 ( 0.703 -1.168 -0.000) 1.363 2.394 ( 9.923 -0.194 -0.000) 9.925 2.403 ( 6.770 0.002 -0.000) 6.770 2.533 ( 1.444 0.280 -0.000) 1.471 2.603 ( 0.921 1.771 0.000) 1.996 3.067 ( 6.286 0.204 -0.000) 6.289 3.083 ( 6.095 -0.105 -0.000) 6.096 3.522 ( -4.523 0.575 0.000) 4.560 3.524 ( -4.991 0.886 0.000) 5.069 3.668 ( -0.745 0.911 0.000) 1.177 3.682 ( -1.437 1.389 0.000) 1.999 4.499 ( -0.019 -1.053 -0.000) 1.054 4.510 ( -0.605 -0.786 -0.000) 0.992 4.789 ( 2.478 -3.235 -0.000) 4.075 4.827 ( 1.040 -3.075 -0.000) 3.246 8.740 ( -0.773 -0.351 0.000) 0.849 8.769 ( -2.729 0.211 0.000) 2.738 9.168 ( -0.697 0.736 0.000) 1.014 9.322 ( -7.223 2.107 0.000) 7.524 9.499 ( 2.116 -1.381 -0.000) 2.526 9.580 ( -1.456 0.384 0.000) 1.505 9.663 ( -3.012 -0.985 0.000) 3.169 9.669 ( -3.667 -2.462 -0.000) 4.417 9.900 ( 1.583 -2.619 -0.000) 3.060 9.901 ( 1.411 -0.542 -0.000) 1.511 10.095 ( 0.474 -0.324 -0.000) 0.574 10.128 ( -0.649 -0.370 -0.000) 0.747 10.195 ( -0.200 0.903 0.000) 0.925 10.206 ( -0.589 0.556 0.000) 0.810 10.318 ( 3.788 2.523 0.000) 4.551 10.406 ( 0.229 1.212 0.000) 1.233 ======================= Grid point 220 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 4.129 0.000 3.015) 5.112 0.804 ( 0.512 0.000 1.253) 1.353 0.886 ( 0.958 -0.000 -1.726) 1.974 0.910 ( -3.086 -0.000 -3.219) 4.459 1.105 ( 0.590 0.000 2.818) 2.879 1.164 ( 3.547 0.000 -0.708) 3.617 1.285 ( -6.696 -0.000 3.292) 7.461 1.307 ( 2.292 0.000 2.962) 3.745 1.345 ( 0.671 0.000 2.086) 2.192 1.386 ( -0.125 -0.000 1.646) 1.651 1.434 ( 3.398 -0.000 0.171) 3.403 1.440 ( -4.995 0.000 -2.663) 5.660 1.465 ( -5.064 -0.000 -1.413) 5.258 1.466 ( 1.651 0.000 -1.648) 2.333 1.535 ( -5.486 -0.000 1.036) 5.583 1.546 ( 2.276 0.000 0.848) 2.429 1.588 ( 3.124 -0.000 1.497) 3.465 1.635 ( 2.281 -0.000 -0.212) 2.291 1.657 ( 0.959 0.000 -1.343) 1.651 1.658 ( -4.272 -0.000 -2.553) 4.976 1.736 ( -2.391 -0.000 0.842) 2.535 1.739 ( -0.071 0.000 0.697) 0.700 1.907 ( 4.297 -0.000 -0.128) 4.299 1.927 ( 5.958 0.000 -1.604) 6.171 2.084 ( -4.930 -0.000 1.965) 5.307 2.103 ( -2.330 0.000 0.455) 2.374 2.355 ( 1.090 0.000 1.287) 1.687 2.383 ( -0.790 0.000 -0.420) 0.895 2.446 ( -7.078 0.000 0.599) 7.103 2.457 ( -7.097 0.000 -0.156) 7.099 3.806 ( 2.514 0.000 0.386) 2.543 3.808 ( 1.523 -0.000 0.272) 1.547 4.046 ( 9.399 -0.000 2.765) 9.797 4.123 ( 10.890 0.000 -2.370) 11.145 4.334 ( -8.177 -0.000 1.033) 8.242 4.354 ( -6.873 -0.000 -0.231) 6.877 4.637 ( -2.088 -0.000 2.272) 3.085 4.689 ( -3.397 0.000 -1.301) 3.638 8.857 ( 0.191 -0.000 1.164) 1.180 8.886 ( 2.077 0.000 -0.725) 2.200 9.338 ( -1.623 -0.000 1.030) 1.922 9.401 ( -0.904 0.000 -3.352) 3.472 9.583 ( 2.921 -0.000 1.996) 3.538 9.593 ( 1.351 0.000 1.735) 2.199 9.744 ( -0.322 -0.000 0.127) 0.346 9.764 ( -2.501 0.000 -1.038) 2.708 9.931 ( 5.014 -0.000 0.780) 5.074 9.957 ( 5.835 0.000 -0.899) 5.904 10.038 ( -4.701 0.000 0.272) 4.709 10.058 ( -3.591 -0.000 -1.119) 3.761 10.165 ( -0.906 0.000 2.126) 2.311 10.201 ( -0.593 -0.000 -0.468) 0.756 10.290 ( 0.027 -0.000 0.733) 0.734 10.320 ( -1.117 0.000 -1.195) 1.636 ======================= Grid point 230 (91/125) ======================= q-point: ( 0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -4.716 1.983 1.987) 5.488 0.759 ( -5.776 0.354 3.556) 6.792 0.866 ( -0.987 -2.888 -0.968) 3.202 0.930 ( 0.861 -1.652 -4.645) 5.005 1.039 ( -5.920 1.404 2.515) 6.583 1.124 ( -4.586 -1.640 -2.997) 5.719 1.184 ( -4.527 0.374 4.055) 6.089 1.263 ( -6.188 0.996 -3.153) 7.016 1.293 ( -6.519 0.262 -0.091) 6.525 1.314 ( -8.190 -2.155 -0.049) 8.469 1.408 ( -6.551 0.363 2.814) 7.139 1.437 ( 0.289 0.107 -0.595) 0.671 1.449 ( 4.412 -0.291 4.113) 6.039 1.502 ( 2.382 0.268 -0.059) 2.398 1.575 ( 7.248 1.013 -1.018) 7.389 1.592 ( 2.796 0.583 -0.170) 2.861 1.606 ( 3.055 0.520 -2.682) 4.098 1.633 ( 0.324 -1.144 -0.814) 1.440 1.701 ( 4.192 1.798 1.037) 4.678 1.721 ( 4.609 -0.018 2.177) 5.097 1.737 ( 0.895 -0.792 0.101) 1.199 1.757 ( 4.143 -0.563 -0.370) 4.198 1.966 ( -0.387 1.354 0.779) 1.609 1.995 ( 1.909 -1.667 0.299) 2.552 2.052 ( -0.086 2.110 0.160) 2.118 2.080 ( 1.055 -1.085 -0.064) 1.514 2.389 ( 2.258 1.281 -0.043) 2.597 2.407 ( 2.635 -0.596 -0.064) 2.702 2.441 ( 6.945 0.136 0.135) 6.948 2.446 ( 6.555 -0.138 -0.081) 6.557 3.809 ( -1.700 0.118 0.708) 1.846 3.818 ( -1.198 0.073 -0.199) 1.217 4.080 ( -8.396 1.078 2.365) 8.789 4.128 ( -10.521 -0.759 -0.666) 10.570 4.319 ( 6.877 0.364 -0.271) 6.892 4.326 ( 5.814 -0.482 -0.180) 5.837 4.631 ( 0.704 0.680 0.978) 1.383 4.660 ( 0.649 -0.840 -0.579) 1.209 8.855 ( -1.123 0.103 1.928) 2.234 8.894 ( -0.669 0.025 -1.885) 2.001 9.312 ( -1.918 -0.227 2.254) 2.968 9.366 ( -1.515 -0.497 -3.355) 3.715 9.606 ( 1.363 3.190 2.194) 4.104 9.663 ( 2.133 -3.119 1.828) 4.198 9.715 ( -1.790 0.794 -0.137) 1.963 9.746 ( 0.683 -0.326 -1.910) 2.054 9.948 ( -5.075 0.196 0.966) 5.170 9.971 ( -4.868 0.091 -1.251) 5.027 10.035 ( 5.449 -0.067 1.090) 5.557 10.061 ( 5.425 0.002 -1.629) 5.664 10.164 ( -0.158 1.307 1.072) 1.697 10.196 ( 0.496 -1.490 0.278) 1.594 10.284 ( -0.963 -0.027 0.309) 1.011 10.291 ( -1.509 0.130 -0.449) 1.580 ======================= Grid point 231 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.618 0.000 2.430) 6.121 0.811 ( 4.376 0.000 -0.180) 4.380 0.875 ( -2.909 0.000 -0.282) 2.922 0.884 ( -4.301 -0.000 -2.173) 4.819 1.131 ( 0.568 0.000 2.629) 2.690 1.152 ( 1.535 -0.000 -1.936) 2.471 1.311 ( -3.005 -0.000 2.170) 3.706 1.321 ( 0.602 0.000 0.139) 0.618 1.367 ( -0.623 0.000 2.731) 2.801 1.390 ( -1.116 -0.000 -1.665) 2.005 1.428 ( -1.305 -0.000 0.631) 1.450 1.435 ( 3.642 -0.000 -0.190) 3.647 1.453 ( -4.850 0.000 -0.905) 4.934 1.453 ( -0.600 0.000 -0.892) 1.075 1.546 ( -3.290 0.000 1.139) 3.482 1.551 ( 0.540 -0.000 0.084) 0.547 1.601 ( 1.721 -0.000 1.627) 2.368 1.620 ( -0.045 0.000 -2.470) 2.471 1.646 ( -0.434 0.000 -0.222) 0.487 1.648 ( 0.818 -0.000 -0.639) 1.038 1.742 ( -1.730 -0.000 0.436) 1.784 1.743 ( -0.903 0.000 0.152) 0.916 1.908 ( 5.173 -0.000 0.371) 5.186 1.914 ( 5.788 0.000 -1.024) 5.878 2.098 ( -4.047 -0.000 1.158) 4.209 2.104 ( -3.152 0.000 -0.252) 3.162 2.367 ( 0.326 -0.000 1.231) 1.274 2.377 ( -0.311 0.000 -0.860) 0.914 2.451 ( -7.158 0.000 0.480) 7.174 2.454 ( -7.160 0.000 -0.320) 7.167 3.808 ( 2.236 0.000 0.220) 2.247 3.809 ( 1.894 -0.000 0.041) 1.895 4.072 ( 9.984 -0.000 2.966) 10.415 4.099 ( 10.513 0.000 -2.814) 10.883 4.343 ( -7.674 -0.000 0.930) 7.730 4.350 ( -7.212 0.000 -0.605) 7.238 4.657 ( -2.613 -0.000 2.153) 3.386 4.675 ( -3.060 0.000 -1.778) 3.539 8.868 ( 0.779 -0.000 1.189) 1.422 8.878 ( 1.431 0.000 -1.018) 1.756 9.352 ( -1.216 -0.000 1.933) 2.284 9.373 ( -0.973 0.000 -2.753) 2.920 9.598 ( 2.838 -0.000 1.151) 3.063 9.602 ( 2.291 0.000 0.259) 2.305 9.747 ( -1.484 -0.000 0.571) 1.590 9.754 ( -2.257 0.000 -0.962) 2.453 9.939 ( 5.356 -0.000 0.960) 5.441 9.949 ( 5.657 0.000 -1.018) 5.748 10.042 ( -4.412 0.000 0.572) 4.449 10.049 ( -4.009 -0.000 -0.851) 4.099 10.182 ( -0.764 0.000 1.605) 1.777 10.194 ( -0.654 -0.000 -0.986) 1.183 10.299 ( -0.262 -0.000 1.025) 1.058 10.309 ( -0.662 0.000 -1.216) 1.385 ======================= Grid point 240 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -1.135 0.968 0.369) 1.537 0.727 ( -0.840 -1.126 3.206) 3.501 0.826 ( -5.136 -1.394 0.228) 5.327 0.844 ( -6.872 -0.277 -2.954) 7.485 0.983 ( -0.087 0.081 0.025) 0.122 1.056 ( -6.039 -3.482 0.653) 7.001 1.098 ( -6.175 1.571 1.957) 6.665 1.132 ( -3.119 2.170 -3.072) 4.886 1.191 ( -4.377 -3.533 -0.050) 5.625 1.213 ( -3.641 -3.043 -1.019) 4.854 1.344 ( -2.203 0.035 4.353) 4.879 1.385 ( -1.683 0.331 -4.399) 4.722 1.531 ( 1.715 0.492 1.189) 2.144 1.554 ( 2.265 -0.706 0.703) 2.474 1.594 ( -1.203 0.630 1.031) 1.705 1.616 ( -1.788 0.492 -1.124) 2.169 1.694 ( 4.835 0.137 0.160) 4.839 1.698 ( 4.098 -0.048 -0.496) 4.129 1.731 ( 2.337 -0.024 1.434) 2.742 1.746 ( 1.355 0.016 -1.417) 1.961 1.841 ( 6.519 1.188 2.106) 6.953 1.869 ( 5.981 0.256 -1.089) 6.085 1.963 ( 1.215 2.880 0.030) 3.126 2.028 ( -0.885 2.889 0.006) 3.021 2.056 ( 5.141 -1.308 0.267) 5.311 2.126 ( 3.600 -2.005 -0.219) 4.126 2.421 ( 3.305 2.302 -0.316) 4.040 2.465 ( 3.325 -0.296 -0.181) 3.343 2.648 ( 13.777 0.030 0.000) 13.777 2.651 ( 14.227 -0.044 0.032) 14.227 3.755 ( -3.749 0.731 0.204) 3.825 3.774 ( -3.333 -0.200 -0.071) 3.339 3.872 ( -11.679 1.785 0.367) 11.820 3.922 ( -11.997 -1.147 0.368) 12.057 4.425 ( 4.487 -0.071 0.091) 4.489 4.438 ( 4.756 -0.740 -0.236) 4.819 4.652 ( 2.112 1.129 -0.057) 2.395 4.710 ( 2.947 -2.236 0.054) 3.699 8.831 ( -2.611 0.093 1.896) 3.228 8.852 ( -2.290 0.145 -2.019) 3.057 9.293 ( -2.410 -1.079 3.010) 4.004 9.325 ( -1.768 -1.111 -3.545) 4.114 9.599 ( -0.365 2.795 1.091) 3.023 9.676 ( -1.379 -0.303 -0.175) 1.423 9.728 ( 0.646 -0.904 2.721) 2.939 9.754 ( 0.461 -0.415 -2.630) 2.702 9.869 ( -4.100 -0.042 1.082) 4.240 9.882 ( -3.048 -0.173 -1.136) 3.257 10.105 ( 0.715 0.134 0.151) 0.743 10.111 ( 0.873 -0.283 -0.492) 1.042 10.187 ( 4.892 2.290 0.481) 5.423 10.236 ( 0.544 0.534 0.106) 0.770 10.264 ( -1.347 -0.307 0.041) 1.382 10.281 ( 2.007 -2.442 -0.029) 3.161 ======================= Grid point 241 (94/125) ======================= q-point: ( 0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -4.873 3.189 0.000) 5.824 0.775 ( -5.838 -0.444 0.000) 5.855 0.872 ( 0.857 -1.563 -0.000) 1.783 0.898 ( -1.074 -3.698 -0.000) 3.850 1.056 ( -5.411 3.107 0.000) 6.240 1.103 ( -3.964 -2.799 -0.000) 4.852 1.223 ( -4.673 1.111 0.000) 4.803 1.230 ( -6.472 0.196 0.000) 6.475 1.293 ( -7.332 0.334 0.000) 7.340 1.314 ( -8.765 -2.258 0.000) 9.051 1.424 ( -2.485 0.742 0.000) 2.594 1.431 ( -2.853 -0.217 0.000) 2.861 1.486 ( 2.953 0.328 -0.000) 2.971 1.490 ( 1.957 -0.165 -0.000) 1.964 1.570 ( 7.446 1.242 -0.000) 7.549 1.582 ( 6.543 -0.578 -0.000) 6.568 1.601 ( 1.122 1.793 0.000) 2.115 1.629 ( -0.139 -1.574 -0.000) 1.580 1.705 ( 4.029 1.982 -0.000) 4.490 1.733 ( 6.061 -0.880 -0.000) 6.125 1.739 ( 1.052 0.235 -0.000) 1.078 1.754 ( 3.147 -0.907 -0.000) 3.275 1.970 ( 0.096 1.630 0.000) 1.632 1.997 ( 1.674 -1.820 -0.000) 2.473 2.053 ( -0.463 2.102 0.000) 2.152 2.079 ( 1.052 -1.085 -0.000) 1.511 2.388 ( 2.089 1.454 0.000) 2.545 2.406 ( 2.568 -0.732 -0.000) 2.670 2.442 ( 6.855 0.211 -0.000) 6.859 2.445 ( 6.640 -0.204 -0.000) 6.643 3.813 ( -1.664 0.278 0.000) 1.687 3.816 ( -1.253 -0.048 0.000) 1.254 4.093 ( -9.120 2.071 0.000) 9.353 4.123 ( -9.689 -1.692 0.000) 9.836 4.318 ( 6.571 0.442 -0.000) 6.586 4.325 ( 6.045 -0.544 -0.000) 6.069 4.636 ( 0.382 1.219 0.000) 1.277 4.656 ( 0.911 -1.336 -0.000) 1.617 8.870 ( -0.616 0.660 0.000) 0.903 8.879 ( -1.267 -0.519 0.000) 1.369 9.331 ( -1.202 0.359 0.000) 1.254 9.342 ( -2.156 -1.091 0.000) 2.416 9.617 ( 1.616 3.433 0.000) 3.794 9.671 ( 1.520 -3.324 -0.000) 3.655 9.718 ( -0.129 1.238 0.000) 1.245 9.733 ( -0.593 -0.752 -0.000) 0.957 9.955 ( -4.913 0.557 0.000) 4.944 9.962 ( -4.998 -0.282 0.000) 5.005 10.046 ( 5.611 0.158 -0.000) 5.613 10.049 ( 5.091 -0.271 -0.000) 5.099 10.169 ( -0.328 1.683 0.000) 1.715 10.197 ( 0.793 -1.794 -0.000) 1.962 10.286 ( -1.175 0.141 0.000) 1.183 10.288 ( -1.273 -0.031 0.000) 1.273 ======================= Grid point 249 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -4.757 5.941 0.000) 7.611 0.622 ( -7.936 5.687 0.000) 9.764 0.763 ( -1.559 -0.184 0.000) 1.570 0.778 ( -1.342 1.801 0.000) 2.246 0.957 ( -3.801 -3.612 -0.000) 5.244 1.001 ( -4.627 2.548 0.000) 5.282 1.023 ( -4.054 -1.144 0.000) 4.212 1.074 ( 3.134 1.070 -0.000) 3.312 1.172 ( -1.986 0.601 0.000) 2.075 1.213 ( 1.234 -3.327 -0.000) 3.549 1.359 ( 0.704 -2.779 -0.000) 2.867 1.375 ( 0.462 -1.562 -0.000) 1.629 1.539 ( -0.745 0.492 0.000) 0.893 1.555 ( -1.923 0.061 0.000) 1.924 1.564 ( -0.933 0.812 0.000) 1.237 1.591 ( 0.784 -1.098 -0.000) 1.349 1.694 ( -2.454 0.180 0.000) 2.461 1.702 ( -0.963 -0.928 -0.000) 1.337 1.823 ( 6.466 0.694 -0.000) 6.503 1.844 ( 5.138 -1.138 -0.000) 5.263 1.890 ( -0.268 2.956 0.000) 2.968 1.923 ( -1.241 2.039 0.000) 2.387 1.970 ( 1.893 0.260 -0.000) 1.911 1.996 ( 0.933 0.339 -0.000) 0.992 2.198 ( 9.302 0.312 -0.000) 9.307 2.251 ( 7.968 -1.447 -0.000) 8.099 2.482 ( 5.109 1.681 -0.000) 5.379 2.526 ( 2.987 -0.151 -0.000) 2.990 2.896 ( 12.694 0.043 -0.000) 12.694 2.906 ( 12.673 -0.326 -0.000) 12.677 3.642 ( -9.680 1.050 0.000) 9.737 3.662 ( -6.777 0.187 0.000) 6.780 3.738 ( -2.520 0.460 0.000) 2.562 3.753 ( -6.039 -0.312 0.000) 6.047 4.477 ( 1.310 -0.281 -0.000) 1.340 4.506 ( 1.948 -1.544 -0.000) 2.486 4.682 ( 1.764 0.699 -0.000) 1.897 4.782 ( 2.312 -3.016 -0.000) 3.800 8.772 ( -3.281 0.718 0.000) 3.359 8.814 ( -1.804 -0.851 0.000) 1.994 9.253 ( -3.911 -1.532 0.000) 4.201 9.297 ( -1.951 -1.954 -0.000) 2.761 9.574 ( -0.350 1.445 0.000) 1.486 9.652 ( -1.694 -0.354 0.000) 1.730 9.711 ( -3.834 -0.312 0.000) 3.846 9.732 ( -1.801 -0.166 0.000) 1.809 9.798 ( -2.176 1.200 0.000) 2.485 9.902 ( 2.421 -2.872 -0.000) 3.756 10.099 ( -0.072 0.417 0.000) 0.424 10.120 ( -0.272 -0.625 -0.000) 0.681 10.212 ( -1.288 0.843 0.000) 1.540 10.222 ( -0.678 0.650 0.000) 0.939 10.284 ( 4.078 1.439 -0.000) 4.325 10.369 ( 4.134 -1.678 -0.000) 4.462 ======================= Grid point 258 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -0.000 9.022 0.000) 9.022 0.591 ( -0.000 9.364 0.000) 9.364 0.764 ( 0.000 -5.202 -0.000) 5.202 0.861 ( -0.000 1.136 0.000) 1.136 0.874 ( -0.000 13.337 0.000) 13.337 0.934 ( -0.000 0.930 0.000) 0.930 0.972 ( -0.000 3.482 0.000) 3.482 0.981 ( -0.000 9.339 0.000) 9.339 1.199 ( -0.000 3.522 0.000) 3.522 1.227 ( -0.000 0.371 0.000) 0.371 1.357 ( -0.000 2.859 0.000) 2.859 1.362 ( 0.000 -0.905 -0.000) 0.905 1.507 ( 0.000 -1.744 -0.000) 1.744 1.534 ( 0.000 -1.073 -0.000) 1.073 1.574 ( 0.000 -2.746 -0.000) 2.746 1.618 ( 0.000 -3.950 -0.000) 3.950 1.670 ( 0.000 -1.804 -0.000) 1.804 1.671 ( 0.000 -1.322 -0.000) 1.322 1.835 ( -0.000 1.065 0.000) 1.065 1.883 ( 0.000 -0.684 -0.000) 0.684 1.917 ( 0.000 -0.267 -0.000) 0.267 1.934 ( 0.000 -0.102 -0.000) 0.102 2.010 ( 0.000 -3.986 -0.000) 3.986 2.013 ( 0.000 -2.498 -0.000) 2.498 2.471 ( -0.000 1.074 0.000) 1.074 2.505 ( -0.000 1.530 0.000) 1.530 2.509 ( 0.000 -0.435 -0.000) 0.435 2.589 ( 0.000 -1.370 -0.000) 1.370 3.109 ( -0.000 0.617 0.000) 0.617 3.138 ( 0.000 -0.469 -0.000) 0.469 3.470 ( -0.000 0.957 0.000) 0.957 3.497 ( 0.000 -0.043 -0.000) 0.043 3.694 ( -0.000 0.154 0.000) 0.154 3.695 ( -0.000 0.386 0.000) 0.386 4.486 ( 0.000 -0.353 -0.000) 0.353 4.522 ( 0.000 -2.124 -0.000) 2.124 4.711 ( -0.000 0.418 0.000) 0.418 4.814 ( 0.000 -3.481 -0.000) 3.481 8.707 ( -0.000 0.915 0.000) 0.915 8.775 ( 0.000 -1.709 -0.000) 1.709 9.117 ( -0.000 2.583 0.000) 2.583 9.239 ( 0.000 -2.060 -0.000) 2.060 9.601 ( -0.000 0.686 0.000) 0.686 9.602 ( 0.000 -1.139 -0.000) 1.139 9.609 ( 0.000 -1.310 -0.000) 1.310 9.621 ( 0.000 -0.082 -0.000) 0.082 9.794 ( -0.000 2.454 0.000) 2.454 9.956 ( 0.000 -4.112 -0.000) 4.112 10.104 ( 0.000 -0.372 -0.000) 0.372 10.107 ( 0.000 -0.346 -0.000) 0.346 10.194 ( -0.000 0.661 0.000) 0.661 10.200 ( -0.000 0.540 0.000) 0.540 10.377 ( -0.000 2.654 0.000) 2.654 10.457 ( 0.000 -0.620 -0.000) 0.620 ======================= Grid point 259 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -5.852 6.992 0.855) 9.157 0.642 ( 1.113 8.828 0.531) 8.914 0.732 ( -0.919 -3.331 0.076) 3.456 0.855 ( 1.244 3.643 -0.812) 3.934 0.888 ( 2.352 -1.259 0.443) 2.704 0.974 ( -1.415 7.101 -0.089) 7.241 0.992 ( 0.232 0.835 0.069) 0.870 1.092 ( -2.326 2.693 0.520) 3.596 1.193 ( 2.671 -0.038 -1.706) 3.170 1.220 ( 1.098 -0.642 0.533) 1.379 1.343 ( 1.224 -1.066 -3.683) 4.025 1.384 ( -0.143 -0.491 4.699) 4.726 1.501 ( -1.743 -0.040 -3.390) 3.813 1.528 ( -0.397 -0.858 0.024) 0.946 1.577 ( -0.016 -1.842 0.136) 1.847 1.585 ( -0.643 -0.875 2.651) 2.865 1.652 ( -0.518 -0.565 -1.700) 1.865 1.678 ( -1.234 -1.067 2.346) 2.857 1.877 ( -2.628 1.075 0.012) 2.839 1.881 ( -0.406 0.353 0.057) 0.541 1.908 ( 1.317 0.306 -0.258) 1.376 1.920 ( 2.109 0.982 0.025) 2.326 1.976 ( -0.243 -2.000 0.142) 2.019 1.994 ( -0.318 -2.225 0.089) 2.249 2.378 ( 9.180 0.720 0.212) 9.211 2.396 ( 7.776 -0.286 0.098) 7.782 2.553 ( 0.953 0.041 -1.266) 1.585 2.569 ( 1.490 0.128 1.852) 2.380 3.072 ( 5.522 -0.053 -0.062) 5.523 3.077 ( 6.568 -0.239 0.080) 6.573 3.516 ( -4.640 0.914 0.170) 4.732 3.535 ( -4.859 -0.336 0.034) 4.871 3.703 ( -1.036 0.302 -0.500) 1.189 3.708 ( -1.196 0.248 0.040) 1.222 4.485 ( 0.002 -0.022 -0.018) 0.029 4.508 ( 0.055 -1.591 -0.067) 1.594 4.712 ( 0.748 0.976 0.517) 1.334 4.783 ( 0.676 -3.244 0.049) 3.314 8.732 ( -1.812 1.031 0.057) 2.086 8.774 ( -1.420 -1.471 -0.033) 2.045 9.177 ( -3.409 1.192 -0.295) 3.624 9.245 ( -2.193 -2.137 1.505) 3.412 9.576 ( 0.258 0.351 -1.352) 1.420 9.608 ( -1.458 -1.082 0.244) 1.832 9.644 ( -3.273 0.358 -0.748) 3.377 9.666 ( -3.689 -0.737 -0.113) 3.763 9.812 ( 0.482 2.518 0.933) 2.728 9.911 ( 1.378 -3.697 -0.087) 3.946 10.101 ( 0.065 0.037 -0.294) 0.303 10.111 ( -0.462 -0.371 0.314) 0.671 10.204 ( -0.277 0.574 0.019) 0.638 10.206 ( -0.820 0.355 0.118) 0.901 10.369 ( 2.969 2.218 -0.250) 3.715 10.424 ( 2.759 -1.108 -0.099) 2.975 ======================= Grid point 260 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -2.770 3.475 -3.674) 5.766 0.724 ( -1.719 6.876 2.101) 7.393 0.750 ( -2.764 -0.750 0.188) 2.870 0.812 ( 3.908 -0.990 1.763) 4.400 0.903 ( -4.663 -0.795 -0.532) 4.760 0.956 ( -0.661 -4.451 -0.609) 4.541 1.049 ( -1.445 2.013 -2.656) 3.632 1.105 ( -0.981 1.001 2.567) 2.924 1.166 ( 1.202 -1.552 0.538) 2.036 1.168 ( 0.411 -1.728 1.005) 2.041 1.300 ( -0.050 -0.596 -3.539) 3.589 1.392 ( 0.110 -0.680 5.003) 5.050 1.528 ( -2.687 0.215 -4.290) 5.067 1.550 ( -0.564 0.778 -0.541) 1.103 1.568 ( -0.184 -0.809 -0.105) 0.836 1.602 ( -0.529 0.268 3.063) 3.120 1.677 ( -2.386 -0.074 -1.939) 3.075 1.705 ( -1.098 -0.263 0.970) 1.489 1.822 ( 5.447 -0.072 -0.428) 5.465 1.837 ( 4.688 -0.355 0.844) 4.776 1.938 ( 1.419 2.391 -0.209) 2.788 1.948 ( 1.228 0.999 -0.110) 1.587 1.969 ( -1.105 -0.257 -0.611) 1.288 1.996 ( -2.548 -0.583 1.398) 2.965 2.201 ( 9.867 0.324 -1.315) 9.959 2.234 ( 8.861 -0.853 0.953) 8.952 2.500 ( 3.476 0.633 -0.637) 3.591 2.531 ( 3.755 -0.003 1.900) 4.208 2.898 ( 12.587 0.154 -0.001) 12.588 2.901 ( 12.544 -0.253 -0.071) 12.547 3.655 ( -9.151 0.525 -0.135) 9.167 3.664 ( -8.213 0.000 0.263) 8.217 3.739 ( -3.791 0.087 -0.942) 3.907 3.747 ( -3.704 -0.030 -0.235) 3.712 4.476 ( 1.418 0.093 -0.148) 1.428 4.488 ( 1.443 -0.740 0.337) 1.656 4.700 ( 1.792 1.288 -0.103) 2.209 4.738 ( 1.912 -2.321 0.396) 3.033 8.777 ( -2.446 0.298 -1.208) 2.744 8.809 ( -3.005 -0.342 1.461) 3.359 9.228 ( -2.589 -0.111 -2.411) 3.540 9.295 ( -2.639 -0.911 4.229) 5.068 9.590 ( -1.528 1.460 -2.166) 3.026 9.635 ( -2.165 -1.214 0.424) 2.519 9.699 ( -2.241 -0.078 -2.452) 3.322 9.731 ( -3.826 -0.255 0.412) 3.857 9.829 ( -0.386 1.827 1.092) 2.163 9.861 ( 0.933 -2.293 0.465) 2.518 10.103 ( -0.447 0.198 -0.360) 0.607 10.116 ( -0.062 -0.217 0.594) 0.635 10.224 ( -1.368 0.612 -0.006) 1.498 10.229 ( -1.440 0.094 0.084) 1.446 10.303 ( 5.230 1.245 -1.352) 5.544 10.344 ( 4.989 -1.399 0.662) 5.223 ======================= Grid point 261 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.662 0.000 -5.624) 5.663 0.687 ( 2.029 0.000 -1.643) 2.610 0.822 ( -3.014 -0.000 2.176) 3.717 0.878 ( -6.741 0.000 2.929) 7.350 0.985 ( -2.933 0.000 -0.404) 2.961 1.016 ( -5.815 0.000 -0.436) 5.831 1.091 ( -5.514 0.000 -3.491) 6.526 1.153 ( -4.489 0.000 0.627) 4.533 1.197 ( -2.181 -0.000 4.498) 4.999 1.198 ( -5.004 0.000 2.245) 5.484 1.306 ( -2.650 0.000 -3.515) 4.402 1.428 ( -1.626 -0.000 3.771) 4.107 1.512 ( 3.598 0.000 -3.009) 4.690 1.537 ( 0.396 0.000 -2.049) 2.087 1.589 ( -1.425 0.000 -0.822) 1.645 1.632 ( -0.691 -0.000 1.238) 1.418 1.695 ( 1.212 -0.000 -0.297) 1.248 1.703 ( 2.648 -0.000 0.215) 2.656 1.719 ( 3.714 -0.000 -0.604) 3.763 1.758 ( 3.057 -0.000 1.229) 3.295 1.820 ( 8.010 -0.000 -3.497) 8.740 1.883 ( 5.906 -0.000 0.871) 5.970 2.006 ( -0.404 0.000 -0.300) 0.503 2.008 ( 4.347 -0.000 -0.396) 4.365 2.079 ( 0.891 -0.000 -0.201) 0.914 2.098 ( 4.690 -0.000 0.605) 4.729 2.445 ( 2.840 -0.000 -0.066) 2.841 2.465 ( 3.963 -0.000 1.178) 4.134 2.648 ( 13.940 -0.000 -0.110) 13.940 2.650 ( 14.028 -0.000 -0.012) 14.028 3.757 ( -3.288 0.000 -0.821) 3.389 3.774 ( -3.598 0.000 0.421) 3.623 3.879 ( -11.154 0.000 -1.982) 11.329 3.907 ( -12.440 0.000 -0.071) 12.440 4.422 ( 4.453 -0.000 -0.323) 4.465 4.437 ( 4.516 -0.000 0.706) 4.571 4.663 ( 2.439 -0.000 -0.992) 2.633 4.689 ( 2.426 -0.000 0.762) 2.543 8.813 ( -2.235 0.000 -1.865) 2.910 8.874 ( -2.680 -0.000 2.188) 3.459 9.259 ( -2.341 0.000 -2.419) 3.366 9.352 ( -1.818 -0.000 4.099) 4.484 9.610 ( -0.809 0.000 -3.118) 3.221 9.671 ( -1.129 -0.000 1.192) 1.642 9.686 ( 0.466 0.000 -3.602) 3.632 9.778 ( 0.421 -0.000 2.289) 2.328 9.858 ( -3.495 0.000 -0.880) 3.604 9.893 ( -4.037 0.000 1.321) 4.248 10.106 ( 1.968 -0.000 0.240) 1.983 10.116 ( -0.430 -0.000 0.763) 0.876 10.202 ( 4.317 0.000 -2.204) 4.847 10.237 ( 5.531 -0.000 0.301) 5.539 10.259 ( -1.440 0.000 0.046) 1.441 10.260 ( -1.866 0.000 0.135) 1.871 ======================= Grid point 269 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -0.000 8.535 3.518) 9.232 0.597 ( -0.000 9.214 1.257) 9.300 0.761 ( 0.000 -4.687 -0.726) 4.742 0.839 ( -0.000 5.896 -3.150) 6.685 0.894 ( -0.000 8.545 2.785) 8.987 0.938 ( -0.000 0.931 0.835) 1.251 0.952 ( -0.000 6.428 -2.202) 6.795 1.003 ( -0.000 6.305 2.724) 6.868 1.192 ( -0.000 3.245 -1.494) 3.573 1.212 ( 0.000 -0.061 -3.031) 3.032 1.360 ( -0.000 2.903 0.620) 2.969 1.368 ( -0.000 -0.453 1.154) 1.239 1.474 ( 0.000 -0.835 -3.851) 3.941 1.556 ( 0.000 -2.755 -3.222) 4.239 1.569 ( -0.000 -2.194 4.472) 4.982 1.621 ( 0.000 -3.530 0.282) 3.542 1.675 ( 0.000 -1.445 1.195) 1.875 1.688 ( -0.000 -1.458 3.128) 3.452 1.838 ( -0.000 1.074 0.497) 1.183 1.882 ( 0.000 -0.564 -0.241) 0.613 1.915 ( 0.000 -0.204 -0.361) 0.415 1.932 ( 0.000 -0.004 -0.406) 0.406 2.009 ( 0.000 -3.775 -0.173) 3.779 2.012 ( 0.000 -2.460 -0.227) 2.471 2.472 ( -0.000 1.044 0.233) 1.070 2.508 ( 0.000 -0.381 -0.230) 0.445 2.512 ( -0.000 1.497 1.398) 2.049 2.591 ( 0.000 -1.161 0.242) 1.185 3.110 ( -0.000 0.596 0.224) 0.637 3.138 ( 0.000 -0.442 -0.022) 0.442 3.472 ( -0.000 0.968 0.383) 1.041 3.497 ( -0.000 0.031 0.010) 0.033 3.691 ( -0.000 0.336 -0.633) 0.717 3.693 ( -0.000 0.437 -0.397) 0.590 4.485 ( 0.000 -0.233 -0.264) 0.352 4.520 ( 0.000 -2.011 -0.427) 2.056 4.721 ( -0.000 -0.149 2.059) 2.065 4.814 ( 0.000 -3.465 -0.031) 3.465 8.708 ( -0.000 0.868 0.372) 0.945 8.772 ( 0.000 -1.595 -0.540) 1.684 9.124 ( -0.000 2.620 1.444) 2.991 9.243 ( 0.000 -1.892 0.815) 2.061 9.573 ( 0.000 0.787 -3.521) 3.608 9.607 ( 0.000 -1.274 -0.470) 1.358 9.617 ( 0.000 -1.075 1.053) 1.505 9.618 ( 0.000 -0.237 -0.536) 0.586 9.806 ( -0.000 2.012 2.431) 3.156 9.953 ( 0.000 -3.902 -0.630) 3.953 10.105 ( 0.000 -0.388 0.053) 0.392 10.107 ( 0.000 -0.351 -0.019) 0.352 10.195 ( -0.000 0.647 0.216) 0.682 10.201 ( -0.000 0.543 0.100) 0.552 10.378 ( -0.000 2.624 0.129) 2.627 10.452 ( 0.000 -0.342 -1.094) 1.146 ======================= Grid point 270 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -4.653 6.209 2.125) 8.045 0.652 ( 0.866 8.323 1.502) 8.502 0.733 ( -0.721 -2.121 0.103) 2.242 0.841 ( 1.700 5.073 -2.251) 5.805 0.897 ( 1.490 -2.176 1.493) 3.030 0.973 ( -0.817 5.686 -0.072) 5.745 0.994 ( 0.469 1.551 0.170) 1.629 1.100 ( -2.405 2.806 1.198) 3.885 1.172 ( 1.356 -0.558 -2.623) 3.004 1.215 ( 0.075 -1.112 -1.830) 2.143 1.323 ( 2.590 -0.662 -0.488) 2.718 1.425 ( -0.943 0.104 4.010) 4.120 1.463 ( -1.343 -0.274 -4.087) 4.310 1.525 ( -0.573 -0.442 -0.525) 0.894 1.576 ( -0.496 -1.858 -0.350) 1.955 1.614 ( -1.862 -1.143 2.013) 2.971 1.643 ( 1.983 -0.321 0.677) 2.119 1.702 ( -0.633 -0.975 2.749) 2.985 1.877 ( -1.856 0.708 -0.015) 1.987 1.882 ( -0.770 0.543 0.166) 0.957 1.905 ( 1.542 0.395 -0.470) 1.660 1.920 ( 1.465 1.303 -0.122) 1.964 1.979 ( -0.371 -1.764 0.316) 1.830 1.995 ( -0.457 -2.278 0.256) 2.337 2.382 ( 9.611 0.523 0.526) 9.640 2.398 ( 7.676 -0.184 0.251) 7.682 2.544 ( 1.307 0.012 -0.726) 1.495 2.588 ( 1.079 0.458 2.219) 2.510 3.072 ( 5.759 0.034 -0.099) 5.760 3.078 ( 6.439 -0.268 0.132) 6.446 3.519 ( -4.561 0.872 0.448) 4.665 3.536 ( -4.803 -0.199 0.078) 4.808 3.696 ( -0.865 0.308 -0.908) 1.292 3.707 ( -1.261 0.407 -0.253) 1.349 4.485 ( -0.057 -0.005 0.009) 0.058 4.507 ( -0.047 -1.388 -0.190) 1.402 4.720 ( 1.024 0.318 1.248) 1.645 4.783 ( 0.658 -3.035 0.119) 3.108 8.733 ( -1.587 0.775 0.138) 1.772 8.773 ( -1.741 -1.142 -0.081) 2.084 9.174 ( -2.116 1.004 -0.115) 2.345 9.269 ( -3.253 -1.582 3.391) 4.958 9.555 ( 0.052 0.528 -3.100) 3.145 9.609 ( -1.094 -0.389 -0.270) 1.192 9.635 ( -3.320 -0.437 -0.953) 3.482 9.663 ( -3.703 -0.860 -0.524) 3.837 9.826 ( 0.601 1.888 2.081) 2.873 9.909 ( 1.312 -3.158 -0.279) 3.431 10.097 ( 0.144 -0.053 -0.407) 0.435 10.114 ( -0.588 -0.305 0.458) 0.806 10.204 ( -0.341 0.531 0.077) 0.636 10.208 ( -0.703 0.395 0.282) 0.854 10.365 ( 3.328 1.995 -0.651) 3.935 10.423 ( 2.398 -0.720 -0.237) 2.515 ======================= Grid point 271 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.700 2.196 -3.994) 4.611 0.736 ( 2.201 5.921 0.749) 6.361 0.761 ( -5.120 1.154 2.060) 5.638 0.829 ( 2.293 0.799 1.737) 2.985 0.899 ( -4.639 -2.228 -0.276) 5.154 0.949 ( -0.903 -4.318 -0.857) 4.494 1.024 ( -0.458 1.321 -2.713) 3.052 1.125 ( -2.250 0.199 1.304) 2.608 1.165 ( 1.660 -1.922 -0.356) 2.565 1.186 ( -2.064 -0.425 2.580) 3.332 1.281 ( 0.808 -0.563 -0.563) 1.135 1.425 ( -0.307 -0.431 1.262) 1.368 1.497 ( -2.494 0.068 -1.350) 2.837 1.545 ( 0.402 0.412 -0.517) 0.774 1.567 ( -0.379 -0.510 -0.329) 0.716 1.622 ( 0.122 0.454 0.913) 1.026 1.661 ( -2.356 -0.028 -1.030) 2.572 1.711 ( -0.003 -0.306 0.211) 0.372 1.820 ( 5.188 -0.001 0.011) 5.188 1.844 ( 4.020 -0.308 0.708) 4.093 1.936 ( 1.915 2.117 -0.252) 2.866 1.946 ( 1.137 0.989 -0.197) 1.520 1.964 ( -0.705 -0.477 -0.461) 0.968 2.010 ( -2.670 0.045 1.634) 3.131 2.188 ( 10.403 -0.166 -1.316) 10.487 2.242 ( 8.839 -0.529 0.773) 8.888 2.496 ( 3.096 0.334 -0.153) 3.118 2.550 ( 4.245 0.358 2.088) 4.744 2.898 ( 12.563 0.115 -0.025) 12.564 2.900 ( 12.614 -0.202 -0.106) 12.616 3.654 ( -8.996 0.296 -0.173) 9.002 3.667 ( -8.207 0.161 0.510) 8.224 3.728 ( -4.116 -0.006 -1.434) 4.359 3.744 ( -3.013 0.147 -0.507) 3.059 4.475 ( 1.504 -0.097 -0.158) 1.516 4.492 ( 1.281 -0.473 0.447) 1.437 4.699 ( 2.008 0.392 -0.130) 2.050 4.742 ( 2.004 -1.612 0.564) 2.633 8.767 ( -2.003 0.014 -1.020) 2.247 8.823 ( -3.523 -0.035 1.413) 3.796 9.209 ( -2.111 -0.158 -1.579) 2.641 9.337 ( -2.483 -0.668 4.957) 5.584 9.564 ( -1.693 1.164 -3.466) 4.029 9.636 ( -2.156 -0.310 -0.281) 2.196 9.677 ( -1.701 -1.027 -1.964) 2.794 9.731 ( -4.470 -0.241 -0.316) 4.487 9.841 ( -0.346 1.429 1.444) 2.060 9.866 ( 0.947 -1.654 0.584) 1.993 10.100 ( -0.742 0.049 -0.297) 0.801 10.122 ( -0.005 -0.074 0.688) 0.693 10.224 ( -1.251 0.630 0.002) 1.401 10.230 ( -1.329 0.144 0.159) 1.347 10.288 ( 5.295 0.690 -1.697) 5.603 10.349 ( 5.023 -0.886 0.562) 5.131 ======================= Grid point 272 (103/125) ======================= q-point: ( 0.78 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.922 0.000 -5.717) 5.791 0.673 ( 2.706 0.000 -1.278) 2.992 0.848 ( -2.859 -0.000 3.303) 4.368 0.895 ( -6.711 0.000 0.926) 6.775 0.990 ( -3.938 0.000 1.084) 4.085 1.003 ( -4.089 0.000 -2.120) 4.606 1.065 ( -7.058 0.000 -2.083) 7.359 1.158 ( -4.126 0.000 0.408) 4.146 1.209 ( -5.015 0.000 0.436) 5.034 1.246 ( -2.325 -0.000 6.052) 6.483 1.284 ( -2.001 0.000 -1.444) 2.467 1.450 ( -1.539 0.000 0.409) 1.592 1.486 ( 4.434 0.000 -2.623) 5.152 1.520 ( 0.206 0.000 -0.833) 0.858 1.583 ( -1.051 0.000 -0.460) 1.147 1.641 ( -0.411 -0.000 0.862) 0.955 1.685 ( -1.573 0.000 -1.620) 2.258 1.697 ( 1.116 0.000 -1.565) 1.922 1.722 ( 5.651 -0.000 0.956) 5.731 1.767 ( 5.431 -0.000 0.567) 5.460 1.792 ( 8.014 -0.000 -2.186) 8.307 1.888 ( 5.907 -0.000 0.334) 5.917 2.004 ( 6.000 -0.000 -0.466) 6.018 2.004 ( -0.829 0.000 -0.217) 0.857 2.079 ( -0.304 -0.000 0.171) 0.349 2.102 ( 5.163 -0.000 0.286) 5.171 2.446 ( 2.784 -0.000 0.208) 2.792 2.475 ( 4.543 -0.000 1.019) 4.656 2.647 ( 13.903 -0.000 -0.112) 13.904 2.649 ( 14.024 -0.000 -0.044) 14.024 3.749 ( -3.074 0.000 -0.742) 3.162 3.778 ( -3.431 0.000 0.418) 3.456 3.860 ( -10.835 0.000 -2.025) 11.022 3.905 ( -12.633 0.000 -0.430) 12.640 4.420 ( 4.428 -0.000 -0.229) 4.434 4.443 ( 4.474 -0.000 0.654) 4.522 4.654 ( 2.579 -0.000 -0.800) 2.700 4.695 ( 2.542 -0.000 0.527) 2.596 8.798 ( -2.056 0.000 -1.365) 2.468 8.892 ( -2.729 -0.000 1.760) 3.247 9.240 ( -2.352 0.000 -1.640) 2.867 9.390 ( -1.443 -0.000 4.176) 4.418 9.580 ( -0.737 0.000 -3.510) 3.587 9.654 ( 1.298 0.000 -3.064) 3.328 9.681 ( -2.204 0.000 0.823) 2.353 9.794 ( -0.431 -0.000 1.259) 1.331 9.853 ( -2.662 0.000 -0.361) 2.686 9.904 ( -4.097 0.000 1.030) 4.225 10.111 ( 2.419 -0.000 0.805) 2.550 10.123 ( -1.402 -0.000 0.726) 1.578 10.180 ( 4.282 0.000 -2.439) 4.928 10.238 ( 6.118 -0.000 -0.005) 6.118 10.260 ( -1.341 0.000 0.033) 1.341 10.261 ( -1.859 0.000 0.052) 1.860 ======================= Grid point 280 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -0.000 7.288 5.855) 9.348 0.613 ( -0.000 8.710 2.209) 8.986 0.748 ( 0.000 -2.911 -2.219) 3.660 0.807 ( -0.000 6.684 -3.750) 7.664 0.920 ( -0.000 8.918 2.719) 9.323 0.938 ( -0.000 6.983 -0.811) 7.030 0.950 ( -0.000 -0.345 1.975) 2.005 1.027 ( 0.000 5.285 2.584) 5.883 1.171 ( -0.000 2.660 -2.921) 3.951 1.175 ( 0.000 -0.849 -4.828) 4.902 1.368 ( -0.000 2.951 1.080) 3.142 1.380 ( -0.000 0.420 1.214) 1.284 1.448 ( -0.000 -0.317 -1.788) 1.816 1.524 ( -0.000 -2.394 -3.525) 4.261 1.601 ( 0.000 -3.257 2.343) 4.012 1.622 ( 0.000 -3.318 0.027) 3.319 1.693 ( 0.000 -0.638 2.925) 2.994 1.720 ( 0.000 -1.326 3.511) 3.753 1.844 ( 0.000 1.085 0.879) 1.396 1.879 ( -0.000 -0.272 -0.407) 0.490 1.910 ( 0.000 -0.017 -0.627) 0.627 1.927 ( 0.000 0.246 -0.791) 0.828 2.008 ( -0.000 -3.301 -0.235) 3.309 2.009 ( 0.000 -2.378 -0.332) 2.401 2.475 ( 0.000 0.954 0.501) 1.077 2.505 ( 0.000 -0.218 -0.421) 0.474 2.529 ( -0.000 1.445 2.217) 2.646 2.593 ( -0.000 -0.608 0.145) 0.625 3.113 ( -0.000 0.523 0.442) 0.685 3.137 ( -0.000 -0.355 -0.153) 0.386 3.477 ( -0.000 0.988 0.638) 1.176 3.497 ( 0.000 0.230 -0.031) 0.232 3.684 ( -0.000 0.705 -0.836) 1.094 3.688 ( 0.000 0.576 -0.660) 0.876 4.483 ( 0.000 -0.099 -0.059) 0.115 4.515 ( -0.000 -1.702 -0.768) 1.867 4.745 ( 0.000 -1.298 2.864) 3.144 4.813 ( -0.000 -3.418 -0.170) 3.422 8.713 ( -0.000 0.723 0.720) 1.020 8.765 ( -0.000 -1.278 -0.968) 1.603 9.143 ( 0.000 2.688 2.665) 3.785 9.251 ( -0.000 -1.226 0.616) 1.372 9.542 ( -0.000 1.093 -2.882) 3.082 9.596 ( -0.000 -0.999 -1.919) 2.163 9.615 ( 0.000 -0.817 0.036) 0.818 9.623 ( 0.000 -1.405 0.253) 1.428 9.833 ( 0.000 1.093 3.318) 3.493 9.945 ( 0.000 -3.332 -1.204) 3.543 10.105 ( -0.000 -0.421 0.074) 0.428 10.107 ( -0.000 -0.366 -0.016) 0.367 10.197 ( -0.000 0.615 0.332) 0.699 10.202 ( 0.000 0.547 0.146) 0.567 10.380 ( 0.000 2.530 0.338) 2.553 10.438 ( 0.000 0.325 -1.760) 1.790 ======================= Grid point 281 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -2.397 4.696 2.364) 5.778 0.669 ( 0.033 7.082 2.104) 7.388 0.733 ( -0.539 0.542 0.090) 0.770 0.816 ( 1.554 5.994 -3.020) 6.889 0.914 ( 1.366 -1.366 2.121) 2.869 0.976 ( -0.140 3.979 0.974) 4.099 0.993 ( 1.159 1.103 -0.428) 1.656 1.112 ( -2.538 2.925 1.328) 4.094 1.146 ( -0.666 -0.777 -3.048) 3.215 1.191 ( -0.949 -2.003 -2.995) 3.726 1.329 ( 3.131 0.173 1.247) 3.374 1.425 ( 0.669 -1.056 -3.048) 3.294 1.461 ( -2.945 1.412 2.936) 4.392 1.521 ( -1.456 0.091 -0.390) 1.510 1.571 ( -0.369 -1.785 -0.549) 1.903 1.614 ( -0.662 -1.740 -0.939) 2.085 1.668 ( 2.556 -0.203 3.386) 4.247 1.725 ( 0.382 -0.848 2.228) 2.414 1.876 ( -1.060 0.339 -0.133) 1.121 1.884 ( -0.864 0.497 0.222) 1.021 1.901 ( 1.420 0.784 -0.268) 1.644 1.918 ( 0.806 1.662 -0.374) 1.885 1.981 ( -0.539 -1.433 0.282) 1.557 1.998 ( -0.711 -2.294 0.346) 2.426 2.387 ( 10.281 0.278 0.578) 10.301 2.400 ( 7.497 -0.058 0.289) 7.503 2.539 ( 1.427 0.100 -0.283) 1.458 2.607 ( 0.877 0.843 1.999) 2.340 3.071 ( 6.011 0.113 -0.069) 6.012 3.079 ( 6.347 -0.272 0.088) 6.353 3.523 ( -4.422 0.770 0.556) 4.523 3.537 ( -4.746 0.056 0.062) 4.746 3.688 ( -0.652 0.362 -0.921) 1.185 3.704 ( -1.300 0.574 -0.398) 1.476 4.485 ( -0.081 -0.081 0.107) 0.157 4.505 ( -0.238 -1.020 -0.263) 1.080 4.733 ( 1.436 -0.664 1.329) 2.067 4.785 ( 0.598 -2.648 0.123) 2.717 8.734 ( -1.196 0.355 0.146) 1.256 8.773 ( -2.276 -0.610 -0.085) 2.358 9.176 ( -0.736 0.952 0.397) 1.267 9.303 ( -4.492 -0.742 3.876) 5.979 9.523 ( 0.326 0.511 -3.606) 3.656 9.601 ( -1.328 0.195 -1.326) 1.887 9.630 ( -3.112 -1.489 -0.113) 3.452 9.658 ( -3.596 -0.846 -0.626) 3.747 9.846 ( 0.818 0.974 2.187) 2.530 9.906 ( 1.175 -2.221 -0.507) 2.563 10.094 ( 0.239 -0.099 -0.311) 0.405 10.118 ( -0.752 -0.293 0.370) 0.888 10.205 ( -0.353 0.501 0.103) 0.622 10.211 ( -0.628 0.424 0.328) 0.825 10.358 ( 3.833 1.709 -0.772) 4.268 10.420 ( 1.910 -0.199 -0.249) 1.936 ======================= Grid point 282 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 1.141 1.401 -3.131) 3.615 0.743 ( 3.994 5.267 0.710) 6.648 0.780 ( -5.443 1.763 1.895) 6.027 0.841 ( 0.082 3.782 0.612) 3.832 0.902 ( -3.179 -3.885 0.972) 5.113 0.942 ( -1.220 -4.329 -0.761) 4.562 1.000 ( -0.052 0.536 -2.487) 2.545 1.122 ( -1.917 -2.294 -1.596) 3.389 1.170 ( -0.459 -0.150 1.345) 1.429 1.213 ( -3.779 0.495 3.138) 4.937 1.284 ( 1.737 -0.776 0.758) 2.048 1.408 ( -1.436 -0.222 -3.668) 3.946 1.510 ( -1.034 0.006 2.930) 3.107 1.543 ( 1.664 -0.004 0.064) 1.665 1.562 ( -0.587 -0.184 -0.693) 0.926 1.617 ( -1.386 0.413 -1.591) 2.150 1.662 ( -0.433 0.031 0.725) 0.845 1.710 ( 1.228 -0.225 -0.365) 1.300 1.821 ( 4.768 0.090 0.254) 4.776 1.849 ( 3.457 -0.285 0.448) 3.498 1.934 ( 2.825 1.824 -0.196) 3.368 1.944 ( 0.894 1.009 -0.180) 1.360 1.960 ( -0.606 -0.479 -0.264) 0.816 2.024 ( -2.808 0.485 1.297) 3.131 2.178 ( 10.989 -0.476 -0.937) 11.039 2.247 ( 8.879 -0.426 0.458) 8.901 2.496 ( 2.854 0.213 0.115) 2.864 2.568 ( 4.633 0.558 1.590) 4.930 2.898 ( 12.478 0.082 -0.063) 12.479 2.900 ( 12.750 -0.160 -0.074) 12.752 3.652 ( -8.885 0.149 -0.138) 8.888 3.673 ( -8.379 0.227 0.772) 8.418 3.714 ( -3.933 -0.002 -1.554) 4.228 3.739 ( -2.538 0.236 -0.486) 2.595 4.473 ( 1.562 -0.193 -0.112) 1.578 4.496 ( 1.144 -0.292 0.367) 1.236 4.698 ( 2.233 -0.358 -0.097) 2.263 4.747 ( 2.123 -1.063 0.464) 2.419 8.759 ( -1.702 -0.111 -0.657) 1.827 8.834 ( -3.924 0.113 1.007) 4.052 9.198 ( -1.634 -0.102 -0.812) 1.828 9.384 ( -2.031 -0.437 5.252) 5.648 9.528 ( -2.094 1.027 -4.336) 4.924 9.629 ( -1.889 0.193 -1.178) 2.235 9.666 ( -1.706 -1.807 -0.601) 2.556 9.728 ( -4.727 -0.193 -0.397) 4.748 9.853 ( -0.609 0.791 1.136) 1.513 9.871 ( 1.182 -0.814 0.390) 1.487 10.098 ( -0.972 -0.021 -0.185) 0.989 10.128 ( -0.109 -0.010 0.573) 0.583 10.224 ( -1.102 0.665 0.012) 1.287 10.232 ( -1.181 0.242 0.219) 1.226 10.274 ( 5.395 0.327 -1.449) 5.596 10.353 ( 5.061 -0.629 0.318) 5.110 ======================= Grid point 283 (107/125) ======================= q-point: ( 0.89 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.882 0.000 -3.551) 3.659 0.664 ( 3.233 -0.000 -0.669) 3.301 0.878 ( -3.378 -0.000 2.908) 4.457 0.900 ( -6.025 0.000 0.277) 6.032 0.981 ( -1.837 0.000 -2.467) 3.076 0.999 ( -5.740 0.000 0.728) 5.786 1.052 ( -8.545 0.000 -0.843) 8.586 1.158 ( -4.792 0.000 -0.456) 4.814 1.216 ( -3.099 0.000 1.202) 3.324 1.273 ( -1.674 0.000 -1.200) 2.060 1.304 ( -2.833 -0.000 6.228) 6.842 1.430 ( -2.523 0.000 -4.045) 4.767 1.467 ( 4.671 -0.000 -1.300) 4.849 1.528 ( 1.654 -0.000 1.887) 2.509 1.579 ( -1.149 0.000 -0.475) 1.243 1.649 ( -0.440 -0.000 0.833) 0.942 1.670 ( -1.844 0.000 -1.557) 2.414 1.677 ( 1.919 0.000 -2.492) 3.145 1.731 ( 5.489 -0.000 0.760) 5.541 1.767 ( 8.888 -0.000 -0.270) 8.892 1.784 ( 4.590 -0.000 -0.024) 4.590 1.890 ( 6.007 -0.000 0.083) 6.007 2.000 ( 6.871 -0.000 -0.275) 6.876 2.002 ( -1.002 0.000 -0.105) 1.008 2.081 ( -0.854 0.000 0.189) 0.874 2.104 ( 5.429 -0.000 0.089) 5.430 2.448 ( 2.802 -0.000 0.201) 2.809 2.483 ( 5.001 -0.000 0.582) 5.035 2.646 ( 13.876 -0.000 -0.073) 13.876 2.649 ( 14.007 -0.000 -0.038) 14.007 3.744 ( -2.907 0.000 -0.444) 2.941 3.781 ( -3.045 0.000 0.381) 3.068 3.844 ( -10.866 0.000 -1.387) 10.954 3.901 ( -12.717 0.000 -0.357) 12.722 4.418 ( 4.422 -0.000 -0.126) 4.424 4.448 ( 4.426 -0.000 0.398) 4.444 4.649 ( 2.706 -0.000 -0.452) 2.744 4.699 ( 2.641 -0.000 0.267) 2.655 8.789 ( -1.927 0.000 -0.723) 2.058 8.905 ( -2.743 0.000 0.998) 2.919 9.229 ( -2.341 0.000 -0.826) 2.482 9.426 ( -1.013 -0.000 3.437) 3.583 9.548 ( -0.864 0.000 -3.109) 3.227 9.631 ( 1.176 0.000 -1.767) 2.122 9.687 ( -2.237 0.000 0.416) 2.275 9.801 ( -1.447 0.000 0.451) 1.516 9.851 ( -1.653 0.000 -0.020) 1.653 9.912 ( -4.158 0.000 0.568) 4.197 10.121 ( 2.450 -0.000 1.373) 2.809 10.129 ( -2.209 0.000 0.449) 2.254 10.158 ( 4.571 0.000 -2.307) 5.120 10.238 ( 6.851 -0.000 -0.059) 6.852 10.260 ( -1.293 0.000 0.015) 1.294 10.261 ( -2.024 0.000 -0.018) 2.024 ======================= Grid point 285 (108/125) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -0.838 0.000 0.000) 0.838 0.661 ( 3.433 -0.000 -0.000) 3.433 0.893 ( -4.079 0.000 0.000) 4.079 0.901 ( -5.762 0.000 0.000) 5.762 0.967 ( -0.597 0.000 0.000) 0.597 1.002 ( -6.435 0.000 0.000) 6.435 1.048 ( -8.986 0.000 0.000) 8.986 1.155 ( -5.235 0.000 0.000) 5.235 1.224 ( -2.006 0.000 0.000) 2.006 1.265 ( -1.577 0.000 0.000) 1.577 1.344 ( -3.349 0.000 0.000) 3.349 1.399 ( -2.618 0.000 0.000) 2.618 1.462 ( 4.628 -0.000 -0.000) 4.628 1.540 ( 2.580 -0.000 -0.000) 2.580 1.576 ( -1.586 0.000 0.000) 1.586 1.656 ( 0.900 -0.000 -0.000) 0.900 1.659 ( -3.258 0.000 0.000) 3.258 1.663 ( 2.741 -0.000 -0.000) 2.741 1.735 ( 5.382 -0.000 -0.000) 5.382 1.766 ( 8.965 -0.000 -0.000) 8.965 1.784 ( 4.068 -0.000 -0.000) 4.068 1.890 ( 6.062 -0.000 -0.000) 6.062 1.999 ( 7.131 -0.000 -0.000) 7.131 2.002 ( -1.048 0.000 0.000) 1.048 2.082 ( -0.999 0.000 0.000) 0.999 2.104 ( 5.517 -0.000 -0.000) 5.517 2.449 ( 2.818 -0.000 -0.000) 2.818 2.486 ( 5.176 -0.000 -0.000) 5.176 2.646 ( 13.866 -0.000 -0.000) 13.866 2.649 ( 13.998 -0.000 -0.000) 13.998 3.742 ( -2.844 0.000 0.000) 2.844 3.783 ( -2.736 0.000 0.000) 2.736 3.837 ( -11.045 0.000 0.000) 11.045 3.899 ( -12.739 0.000 0.000) 12.739 4.418 ( 4.422 -0.000 -0.000) 4.422 4.450 ( 4.405 -0.000 -0.000) 4.405 4.646 ( 2.758 -0.000 -0.000) 2.758 4.700 ( 2.680 -0.000 -0.000) 2.680 8.785 ( -1.880 0.000 0.000) 1.880 8.909 ( -2.745 0.000 0.000) 2.745 9.225 ( -2.334 0.000 0.000) 2.334 9.444 ( -0.721 0.000 0.000) 0.721 9.531 ( -1.048 0.000 0.000) 1.048 9.623 ( 1.157 -0.000 -0.000) 1.157 9.689 ( -2.270 0.000 0.000) 2.270 9.803 ( -1.880 0.000 0.000) 1.880 9.851 ( -1.220 0.000 0.000) 1.220 9.914 ( -4.185 0.000 0.000) 4.185 10.131 ( -2.537 0.000 0.000) 2.537 10.132 ( 0.298 -0.000 -0.000) 0.298 10.142 ( 6.843 -0.000 -0.000) 6.843 10.237 ( 7.213 -0.000 -0.000) 7.213 10.260 ( -1.279 0.000 0.000) 1.279 10.261 ( -2.141 0.000 0.000) 2.141 ======================= Grid point 294 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -0.000 5.635 6.766) 8.805 0.634 ( -0.000 7.318 1.945) 7.572 0.722 ( -0.000 0.448 -3.128) 3.160 0.771 ( -0.000 7.139 -4.072) 8.219 0.937 ( -0.000 7.324 0.479) 7.340 0.939 ( -0.000 9.949 1.323) 10.037 0.978 ( -0.000 -2.076 4.074) 4.572 1.051 ( 0.000 4.237 2.643) 4.994 1.127 ( 0.000 -1.516 -5.676) 5.875 1.141 ( -0.000 2.259 -3.666) 4.306 1.378 ( -0.000 2.861 1.162) 3.088 1.389 ( -0.000 1.284 0.655) 1.441 1.441 ( -0.000 -0.231 0.162) 0.282 1.493 ( -0.000 -1.784 -3.105) 3.581 1.614 ( 0.000 -3.687 0.770) 3.766 1.622 ( 0.000 -3.372 -0.095) 3.373 1.724 ( 0.000 -0.270 3.374) 3.385 1.747 ( 0.000 -1.002 2.341) 2.547 1.853 ( 0.000 1.028 1.036) 1.460 1.874 ( -0.000 0.060 -0.520) 0.524 1.905 ( 0.000 0.277 -0.531) 0.599 1.918 ( 0.000 0.544 -1.066) 1.196 2.006 ( -0.000 -2.831 -0.188) 2.838 2.006 ( 0.000 -2.321 -0.273) 2.337 2.481 ( 0.000 0.804 0.696) 1.064 2.500 ( -0.000 0.034 -0.580) 0.581 2.551 ( -0.000 1.376 2.353) 2.726 2.592 ( -0.000 0.100 -0.384) 0.397 3.118 ( -0.000 0.386 0.619) 0.729 3.135 ( -0.000 -0.207 -0.381) 0.433 3.483 ( -0.000 0.984 0.699) 1.207 3.496 ( 0.000 0.493 -0.157) 0.517 3.677 ( -0.000 0.978 -0.568) 1.131 3.681 ( 0.000 0.764 -0.681) 1.024 4.485 ( 0.000 -0.167 0.382) 0.417 4.507 ( -0.000 -1.274 -0.959) 1.594 4.770 ( 0.000 -2.277 2.561) 3.427 4.810 ( -0.000 -3.332 -0.502) 3.369 8.721 ( 0.000 0.470 1.014) 1.118 8.755 ( -0.000 -0.831 -1.222) 1.478 9.171 ( 0.000 2.668 3.449) 4.361 9.250 ( -0.000 0.086 -0.914) 0.918 9.525 ( 0.000 0.428 -0.711) 0.830 9.575 ( -0.000 -1.072 -2.679) 2.886 9.617 ( 0.000 -1.079 0.235) 1.104 9.623 ( 0.000 -1.447 -0.095) 1.450 9.863 ( 0.000 0.142 3.197) 3.200 9.931 ( -0.000 -2.538 -1.723) 3.068 10.106 ( -0.000 -0.444 0.060) 0.448 10.107 ( -0.000 -0.393 -0.002) 0.393 10.200 ( -0.000 0.584 0.310) 0.661 10.203 ( 0.000 0.552 0.105) 0.562 10.384 ( 0.000 2.361 0.679) 2.457 10.421 ( 0.000 1.061 -1.880) 2.159 ======================= Grid point 295 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.237 2.885 1.539) 3.279 0.687 ( -2.009 4.593 1.627) 5.271 0.737 ( 0.239 4.789 0.794) 4.861 0.788 ( 1.119 6.604 -3.057) 7.363 0.933 ( 1.853 1.638 1.998) 3.179 0.984 ( 0.889 -0.123 -0.942) 1.302 0.991 ( 1.757 0.890 1.612) 2.545 1.118 ( -2.540 -0.976 -2.678) 3.818 1.123 ( -3.061 3.386 0.958) 4.665 1.167 ( -1.815 -2.431 -2.057) 3.665 1.340 ( 3.142 0.651 0.918) 3.338 1.403 ( 1.632 -1.183 -1.624) 2.588 1.483 ( -3.768 1.967 1.697) 4.577 1.519 ( -2.386 0.667 -0.078) 2.478 1.566 ( -0.018 -1.817 -0.490) 1.882 1.606 ( 0.762 -2.165 -0.681) 2.394 1.694 ( 2.738 -0.543 2.206) 3.558 1.741 ( 1.349 -0.551 1.123) 1.840 1.875 ( -0.734 0.151 -0.141) 0.762 1.886 ( -0.516 0.130 0.081) 0.538 1.901 ( 1.319 1.269 0.157) 1.837 1.914 ( 0.053 2.020 -0.490) 2.079 1.983 ( -0.648 -1.214 0.146) 1.384 2.001 ( -0.968 -2.222 0.251) 2.437 2.392 ( 10.891 0.114 0.367) 10.898 2.403 ( 7.303 0.023 0.191) 7.305 2.538 ( 1.481 0.206 -0.061) 1.496 2.622 ( 0.756 1.163 1.191) 1.828 3.070 ( 6.233 0.145 -0.028) 6.234 3.080 ( 6.262 -0.253 0.029) 6.268 3.528 ( -4.232 0.577 0.425) 4.292 3.537 ( -4.773 0.390 -0.007) 4.789 3.681 ( -0.461 0.393 -0.577) 0.836 3.701 ( -1.322 0.705 -0.288) 1.525 4.487 ( -0.005 -0.291 0.143) 0.324 4.502 ( -0.478 -0.586 -0.221) 0.788 4.743 ( 1.816 -1.560 0.827) 2.533 4.785 ( 0.493 -2.201 0.069) 2.256 8.735 ( -0.802 -0.043 0.089) 0.808 8.772 ( -2.791 -0.112 -0.051) 2.794 9.180 ( 0.323 0.935 0.461) 1.091 9.336 ( -6.023 0.504 2.932) 6.717 9.493 ( 1.354 -0.258 -2.704) 3.035 9.589 ( -1.852 0.106 -1.173) 2.195 9.630 ( -2.878 -1.856 0.115) 3.426 9.653 ( -3.430 -0.664 -0.394) 3.516 9.864 ( 1.113 -0.103 1.617) 1.966 9.900 ( 0.947 -1.042 -0.660) 1.555 10.092 ( 0.307 -0.126 -0.163) 0.370 10.121 ( -0.876 -0.296 0.202) 0.946 10.206 ( -0.342 0.484 0.070) 0.597 10.214 ( -0.604 0.441 0.226) 0.781 10.352 ( 4.242 1.507 -0.524) 4.532 10.418 ( 1.537 0.194 -0.153) 1.557 ======================= Grid point 296 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 2.206 1.025 -1.188) 2.707 0.748 ( 5.055 5.271 0.353) 7.312 0.793 ( -5.344 1.207 0.746) 5.529 0.842 ( -2.266 5.367 -0.028) 5.825 0.914 ( -0.501 -3.355 1.228) 3.608 0.935 ( -2.174 -4.799 -0.617) 5.304 0.981 ( 0.063 -0.311 -1.230) 1.271 1.109 ( -1.746 -3.199 -0.906) 3.755 1.181 ( -1.820 0.409 0.733) 2.005 1.237 ( -5.147 1.235 1.688) 5.556 1.290 ( 1.828 -1.206 0.476) 2.242 1.378 ( -0.633 -0.234 -2.200) 2.301 1.535 ( -0.540 0.149 2.211) 2.280 1.545 ( 3.090 -0.468 0.259) 3.136 1.554 ( -1.171 0.145 -1.122) 1.628 1.603 ( -2.718 0.439 -0.992) 2.927 1.668 ( 0.637 -0.111 0.406) 0.763 1.706 ( 2.154 -0.043 -0.299) 2.175 1.823 ( 4.485 0.143 0.141) 4.490 1.852 ( 3.149 -0.274 0.152) 3.164 1.933 ( 3.574 1.627 -0.076) 3.928 1.943 ( 0.630 1.046 -0.069) 1.223 1.959 ( -0.641 -0.441 -0.084) 0.782 2.033 ( -2.958 0.735 0.499) 3.089 2.172 ( 11.404 -0.654 -0.343) 11.428 2.250 ( 8.921 -0.400 0.150) 8.931 2.498 ( 2.732 0.169 0.081) 2.738 2.578 ( 4.862 0.658 0.594) 4.942 2.897 ( 12.417 0.072 -0.038) 12.417 2.899 ( 12.844 -0.148 -0.022) 12.845 3.651 ( -8.831 0.078 -0.052) 8.832 3.681 ( -9.599 0.259 0.714) 9.629 3.701 ( -2.634 0.002 -1.019) 2.824 3.736 ( -2.282 0.275 -0.198) 2.307 4.473 ( 1.591 -0.229 -0.041) 1.608 4.498 ( 1.065 -0.202 0.141) 1.093 4.697 ( 2.372 -0.749 -0.035) 2.488 4.750 ( 2.204 -0.800 0.176) 2.352 8.755 ( -1.545 -0.162 -0.226) 1.570 8.840 ( -4.153 0.179 0.366) 4.173 9.194 ( -1.323 -0.056 -0.238) 1.346 9.431 ( -0.837 -0.310 4.661) 4.745 9.486 ( -3.257 0.953 -4.347) 5.515 9.619 ( -1.654 0.097 -0.610) 1.766 9.663 ( -1.838 -1.886 -0.075) 2.634 9.725 ( -4.810 -0.145 -0.158) 4.814 9.861 ( -1.067 0.106 0.446) 1.161 9.873 ( 1.613 -0.019 0.106) 1.616 10.097 ( -1.096 -0.051 -0.063) 1.099 10.132 ( -0.256 0.018 0.230) 0.345 10.224 ( -0.990 0.696 0.007) 1.210 10.234 ( -1.141 0.385 0.144) 1.212 10.264 ( 5.556 0.059 -0.620) 5.591 10.355 ( 5.088 -0.520 0.099) 5.115 ======================= Grid point 305 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 3.912 6.355) 7.463 0.632 ( -0.000 3.671 -3.229) 4.889 0.709 ( -0.000 6.022 1.145) 6.130 0.735 ( -0.000 7.431 -3.764) 8.330 0.943 ( 0.000 8.117 0.609) 8.140 0.945 ( -0.000 9.140 0.157) 9.141 1.022 ( -0.000 -2.110 5.344) 5.746 1.073 ( 0.000 -2.028 -5.765) 6.111 1.077 ( 0.000 3.239 2.995) 4.411 1.107 ( -0.000 2.394 -3.578) 4.305 1.387 ( -0.000 2.563 0.768) 2.675 1.391 ( 0.000 2.023 -0.082) 2.024 1.449 ( -0.000 -0.552 1.530) 1.627 1.468 ( 0.000 -1.119 -2.453) 2.696 1.618 ( -0.000 -3.668 0.286) 3.680 1.620 ( 0.000 -3.521 -0.167) 3.525 1.750 ( 0.000 -0.355 2.109) 2.139 1.759 ( -0.000 -0.653 0.160) 0.672 1.862 ( 0.000 0.772 0.885) 1.175 1.869 ( -0.000 0.393 -0.650) 0.759 1.903 ( 0.000 0.602 0.208) 0.637 1.908 ( 0.000 0.725 -0.963) 1.205 2.004 ( -0.000 -2.509 -0.065) 2.510 2.004 ( 0.000 -2.350 -0.109) 2.352 2.487 ( 0.000 0.591 0.762) 0.964 2.494 ( -0.000 0.322 -0.707) 0.777 2.571 ( -0.000 1.178 1.932) 2.263 2.585 ( 0.000 0.746 -1.177) 1.394 3.124 ( 0.000 0.196 0.686) 0.713 3.130 ( -0.000 -0.014 -0.596) 0.596 3.489 ( -0.000 0.910 0.579) 1.079 3.493 ( 0.000 0.740 -0.363) 0.824 3.674 ( -0.000 1.045 -0.061) 1.047 3.676 ( 0.000 0.946 -0.418) 1.034 4.490 ( 0.000 -0.429 0.761) 0.874 4.498 ( -0.000 -0.821 -0.961) 1.264 4.790 ( 0.000 -2.870 1.810) 3.393 4.803 ( -0.000 -3.177 -1.061) 3.349 8.732 ( 0.000 0.109 1.219) 1.224 8.743 ( -0.000 -0.342 -1.299) 1.343 9.204 ( 0.000 2.356 3.557) 4.266 9.233 ( -0.000 1.498 -2.694) 3.082 9.529 ( 0.000 -0.534 1.544) 1.634 9.550 ( -0.000 -1.037 -2.664) 2.859 9.619 ( -0.000 -1.237 0.279) 1.268 9.622 ( 0.000 -1.366 -0.239) 1.387 9.891 ( 0.000 -0.763 2.740) 2.845 9.913 ( -0.000 -1.656 -2.227) 2.776 10.106 ( -0.000 -0.443 0.028) 0.444 10.107 ( -0.000 -0.423 -0.003) 0.423 10.203 ( -0.000 0.565 0.184) 0.594 10.203 ( 0.000 0.556 -0.021) 0.557 10.392 ( 0.000 2.087 1.134) 2.375 10.405 ( 0.000 1.664 -1.597) 2.307 ======================= Grid point 306 (113/125) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 1.534 1.978 0.000) 2.503 0.695 ( -3.748 2.845 0.000) 4.705 0.745 ( 1.816 7.941 0.000) 8.146 0.768 ( 0.292 6.327 0.000) 6.333 0.945 ( 2.419 5.293 0.000) 5.820 0.976 ( 1.160 -4.224 -0.000) 4.381 1.002 ( 2.418 0.663 -0.000) 2.508 1.103 ( -4.247 -0.859 0.000) 4.333 1.129 ( -2.809 3.888 0.000) 4.796 1.157 ( -2.262 -2.892 -0.000) 3.671 1.344 ( 3.121 0.801 -0.000) 3.222 1.396 ( 2.084 -1.268 -0.000) 2.439 1.491 ( -4.202 2.234 0.000) 4.759 1.518 ( -2.837 0.958 0.000) 2.994 1.564 ( 0.257 -1.900 -0.000) 1.918 1.602 ( 1.292 -2.373 -0.000) 2.702 1.705 ( 2.862 -0.783 -0.000) 2.967 1.746 ( 1.763 -0.324 -0.000) 1.793 1.874 ( -0.691 0.093 0.000) 0.697 1.886 ( -0.337 -0.036 0.000) 0.339 1.902 ( 1.786 1.299 0.000) 2.208 1.911 ( -0.747 2.324 0.000) 2.441 1.984 ( -0.682 -1.148 -0.000) 1.336 2.002 ( -1.076 -2.173 -0.000) 2.425 2.394 ( 11.141 0.062 -0.000) 11.141 2.404 ( 7.213 0.047 -0.000) 7.213 2.537 ( 1.497 0.252 -0.000) 1.518 2.628 ( 0.714 1.289 0.000) 1.474 3.070 ( 6.328 0.149 -0.000) 6.330 3.080 ( 6.221 -0.239 -0.000) 6.225 3.530 ( -4.080 0.405 0.000) 4.100 3.537 ( -4.865 0.620 0.000) 4.904 3.678 ( -0.382 0.398 0.000) 0.552 3.699 ( -1.329 0.755 0.000) 1.529 4.487 ( 0.073 -0.444 -0.000) 0.450 4.501 ( -0.616 -0.351 -0.000) 0.709 4.747 ( 1.980 -1.940 -0.000) 2.772 4.786 ( 0.430 -1.981 -0.000) 2.028 8.736 ( -0.633 -0.207 0.000) 0.666 8.772 ( -3.006 0.092 0.000) 3.008 9.183 ( 0.735 0.921 0.000) 1.178 9.350 ( -7.099 1.381 0.000) 7.233 9.479 ( 2.289 -1.006 -0.000) 2.500 9.583 ( -2.084 0.046 0.000) 2.085 9.631 ( -2.825 -1.977 -0.000) 3.448 9.651 ( -3.352 -0.541 0.000) 3.396 9.873 ( 1.374 -0.967 -0.000) 1.680 9.896 ( 0.711 -0.126 -0.000) 0.722 10.091 ( 0.331 -0.136 -0.000) 0.358 10.122 ( -0.921 -0.298 0.000) 0.968 10.206 ( -0.335 0.479 0.000) 0.585 10.215 ( -0.603 0.448 0.000) 0.751 10.350 ( 4.398 1.438 -0.000) 4.627 10.418 ( 1.404 0.334 -0.000) 1.443 ======================= Grid point 334 (114/125) ======================= q-point: ( 0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.378 0.000 2.196) 2.228 0.701 ( 1.348 -0.000 1.100) 1.740 0.816 ( -4.191 -0.000 1.405) 4.420 0.844 ( -5.594 -0.000 -4.049) 6.906 0.996 ( -3.910 -0.000 1.741) 4.280 1.011 ( -5.406 0.000 -1.250) 5.549 1.126 ( -5.502 0.000 3.860) 6.721 1.148 ( -5.370 -0.000 -0.552) 5.398 1.167 ( -2.424 0.000 -1.921) 3.093 1.171 ( -3.556 -0.000 -2.969) 4.633 1.345 ( -2.858 -0.000 4.675) 5.479 1.388 ( -2.387 -0.000 -4.654) 5.230 1.537 ( 2.466 -0.000 2.086) 3.230 1.547 ( 1.489 -0.000 -0.067) 1.491 1.601 ( -1.662 -0.000 1.765) 2.424 1.618 ( -1.221 -0.000 -1.810) 2.183 1.695 ( 4.274 -0.000 0.006) 4.274 1.698 ( 4.256 -0.000 -0.592) 4.297 1.731 ( 1.567 -0.000 1.609) 2.245 1.746 ( 1.870 -0.000 -1.528) 2.415 1.850 ( 6.832 -0.000 2.857) 7.405 1.871 ( 6.153 -0.000 -1.752) 6.398 2.009 ( 0.523 0.000 0.249) 0.579 2.010 ( 2.212 -0.000 0.040) 2.212 2.084 ( 2.544 0.000 0.720) 2.644 2.091 ( 3.886 -0.000 -0.862) 3.980 2.448 ( 3.042 0.000 0.541) 3.090 2.455 ( 3.427 -0.000 -0.990) 3.567 2.649 ( 13.978 -0.000 0.081) 13.978 2.649 ( 14.010 -0.000 -0.036) 14.010 3.764 ( -3.481 -0.000 0.715) 3.553 3.769 ( -3.598 0.000 -0.537) 3.638 3.895 ( -11.637 -0.000 1.437) 11.725 3.905 ( -12.101 0.000 -0.643) 12.118 4.426 ( 4.494 -0.000 0.447) 4.516 4.431 ( 4.523 -0.000 -0.601) 4.563 4.672 ( 2.351 0.000 1.030) 2.567 4.681 ( 2.349 -0.000 -0.942) 2.531 8.832 ( -2.421 -0.000 2.188) 3.263 8.853 ( -2.577 -0.000 -2.310) 3.461 9.284 ( -2.267 -0.000 3.124) 3.860 9.316 ( -2.097 -0.000 -3.706) 4.258 9.636 ( -1.025 0.000 2.511) 2.712 9.656 ( -1.279 -0.000 -1.886) 2.279 9.721 ( 0.891 -0.000 3.725) 3.830 9.752 ( 0.810 -0.000 -3.185) 3.287 9.868 ( -3.867 -0.000 1.260) 4.067 9.881 ( -3.985 -0.000 -1.406) 4.226 10.106 ( 1.311 -0.000 0.235) 1.332 10.110 ( 0.501 -0.000 -0.583) 0.769 10.219 ( 4.584 -0.000 1.669) 4.879 10.231 ( 5.055 0.000 -0.942) 5.142 10.259 ( -1.620 0.000 -0.020) 1.621 10.259 ( -1.835 -0.000 -0.077) 1.836 ======================= Grid point 344 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -6.574 3.793 0.000) 7.590 0.703 ( -0.158 6.724 0.000) 6.726 0.751 ( -2.796 -0.874 0.000) 2.929 0.803 ( 5.299 -1.434 -0.000) 5.489 0.906 ( -4.569 -0.323 0.000) 4.580 0.959 ( -0.556 -4.535 -0.000) 4.569 1.067 ( -3.609 3.053 0.000) 4.727 1.088 ( 1.227 0.319 -0.000) 1.268 1.163 ( 0.196 -1.360 -0.000) 1.374 1.164 ( 2.088 -2.075 -0.000) 2.944 1.336 ( -0.301 0.027 0.000) 0.303 1.350 ( 0.092 -1.430 -0.000) 1.433 1.553 ( -0.569 1.054 0.000) 1.198 1.562 ( -2.671 0.410 0.000) 2.702 1.570 ( -1.796 -0.040 0.000) 1.797 1.573 ( 0.543 -0.985 -0.000) 1.124 1.693 ( -1.549 -0.162 0.000) 1.558 1.694 ( -2.212 -0.167 0.000) 2.218 1.826 ( 5.396 0.081 -0.000) 5.397 1.831 ( 5.117 -0.557 -0.000) 5.148 1.939 ( 1.321 2.515 0.000) 2.841 1.948 ( 1.247 1.004 0.000) 1.601 1.973 ( -1.440 0.223 0.000) 1.457 1.988 ( -2.432 -1.238 0.000) 2.729 2.208 ( 9.624 0.969 -0.000) 9.672 2.228 ( 8.905 -1.436 -0.000) 9.020 2.505 ( 3.971 1.259 -0.000) 4.166 2.520 ( 3.222 -0.651 -0.000) 3.287 2.898 ( 12.587 0.171 -0.000) 12.588 2.902 ( 12.526 -0.276 -0.000) 12.529 3.656 ( -9.256 0.690 0.000) 9.282 3.662 ( -8.190 -0.139 0.000) 8.191 3.744 ( -3.163 0.298 0.000) 3.177 3.748 ( -4.458 -0.275 0.000) 4.466 4.477 ( 1.352 0.260 -0.000) 1.377 4.486 ( 1.540 -0.937 -0.000) 1.803 4.700 ( 1.699 1.737 0.000) 2.430 4.736 ( 1.881 -2.695 -0.000) 3.286 8.785 ( -2.965 0.906 0.000) 3.100 8.800 ( -2.459 -0.959 0.000) 2.639 9.247 ( -3.092 0.640 0.000) 3.157 9.267 ( -2.366 -1.731 -0.000) 2.932 9.601 ( -1.469 1.928 0.000) 2.424 9.632 ( -2.163 -1.886 -0.000) 2.870 9.715 ( -3.241 0.620 0.000) 3.300 9.725 ( -2.733 -0.597 0.000) 2.797 9.823 ( -0.516 1.952 0.000) 2.020 9.859 ( 0.971 -2.547 -0.000) 2.725 10.105 ( -0.216 0.440 0.000) 0.490 10.112 ( -0.209 -0.455 -0.000) 0.501 10.224 ( -1.412 0.610 0.000) 1.538 10.229 ( -1.477 0.076 0.000) 1.479 10.310 ( 5.213 1.795 -0.000) 5.514 10.340 ( 4.969 -1.940 -0.000) 5.334 ======================= Grid point 354 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.000 8.241 0.000) 8.241 0.657 ( 0.000 -5.834 -0.000) 5.834 0.730 ( -0.000 5.871 0.000) 5.871 0.819 ( 0.000 -4.743 -0.000) 4.743 0.983 ( -0.000 3.201 0.000) 3.201 1.007 ( -0.000 0.489 0.000) 0.489 1.036 ( -0.000 6.986 0.000) 6.986 1.079 ( -0.000 2.012 0.000) 2.012 1.234 ( -0.000 0.839 0.000) 0.839 1.239 ( -0.000 1.073 0.000) 1.073 1.361 ( -0.000 0.893 0.000) 0.893 1.379 ( 0.000 -0.474 -0.000) 0.474 1.494 ( -0.000 0.910 0.000) 0.910 1.526 ( -0.000 0.573 0.000) 0.573 1.529 ( 0.000 -2.872 -0.000) 2.872 1.558 ( 0.000 -3.318 -0.000) 3.318 1.652 ( 0.000 -0.458 -0.000) 0.458 1.654 ( 0.000 -0.720 -0.000) 0.720 1.855 ( -0.000 1.286 0.000) 1.286 1.871 ( 0.000 -0.815 -0.000) 0.815 1.921 ( -0.000 0.956 0.000) 0.956 1.941 ( -0.000 0.782 0.000) 0.782 1.954 ( 0.000 -2.657 -0.000) 2.657 1.972 ( 0.000 -2.458 -0.000) 2.458 2.487 ( -0.000 0.961 0.000) 0.961 2.500 ( 0.000 -0.693 -0.000) 0.693 2.534 ( -0.000 1.977 0.000) 1.977 2.564 ( 0.000 -1.819 -0.000) 1.819 3.119 ( -0.000 0.648 0.000) 0.648 3.129 ( 0.000 -0.617 -0.000) 0.617 3.484 ( -0.000 0.763 0.000) 0.763 3.493 ( 0.000 -0.392 -0.000) 0.392 3.697 ( -0.000 0.148 0.000) 0.148 3.698 ( -0.000 0.047 0.000) 0.047 4.485 ( -0.000 0.243 0.000) 0.243 4.496 ( 0.000 -1.195 -0.000) 1.195 4.727 ( -0.000 1.644 0.000) 1.644 4.763 ( 0.000 -2.888 -0.000) 2.888 8.724 ( -0.000 1.333 0.000) 1.333 8.748 ( 0.000 -1.640 -0.000) 1.640 9.160 ( -0.000 2.777 0.000) 2.777 9.202 ( 0.000 -2.580 -0.000) 2.580 9.590 ( 0.000 -0.301 -0.000) 0.301 9.593 ( 0.000 -0.654 -0.000) 0.654 9.611 ( -0.000 0.547 0.000) 0.547 9.618 ( 0.000 -0.315 -0.000) 0.315 9.838 ( -0.000 3.207 0.000) 3.207 9.893 ( 0.000 -3.801 -0.000) 3.801 10.101 ( 0.000 -0.054 -0.000) 0.054 10.102 ( 0.000 -0.198 -0.000) 0.198 10.202 ( -0.000 0.378 0.000) 0.378 10.205 ( -0.000 0.045 0.000) 0.045 10.415 ( -0.000 2.092 0.000) 2.092 10.442 ( 0.000 -1.329 -0.000) 1.329 ======================= Grid point 355 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -3.149 0.000 -1.004) 3.305 0.644 ( -3.874 0.000 1.758) 4.254 0.784 ( -0.512 0.000 0.116) 0.525 0.788 ( -0.722 -0.000 1.037) 1.264 0.955 ( 3.698 -0.000 -1.605) 4.032 0.965 ( 3.594 -0.000 0.603) 3.644 1.072 ( 0.476 0.000 -0.689) 0.837 1.082 ( -0.166 -0.000 1.319) 1.330 1.192 ( 2.931 0.000 -2.675) 3.969 1.211 ( 3.076 -0.000 0.970) 3.225 1.332 ( 1.844 0.000 -3.688) 4.123 1.375 ( 0.974 -0.000 5.265) 5.354 1.503 ( -1.724 0.000 -4.306) 4.638 1.529 ( -1.728 -0.000 1.187) 2.097 1.559 ( -0.816 0.000 -0.834) 1.167 1.578 ( -1.500 -0.000 3.432) 3.746 1.648 ( -1.013 0.000 -1.884) 2.139 1.669 ( -1.460 -0.000 2.561) 2.948 1.883 ( -0.569 0.000 -0.225) 0.612 1.884 ( -0.404 0.000 0.184) 0.444 1.923 ( 0.342 0.000 -1.018) 1.074 1.934 ( -0.331 -0.000 1.376) 1.415 1.957 ( -0.851 0.000 -0.600) 1.041 1.963 ( -1.030 -0.000 0.544) 1.165 2.388 ( 9.146 -0.000 -0.171) 9.147 2.391 ( 8.426 -0.000 0.435) 8.437 2.553 ( 1.078 0.000 -1.410) 1.775 2.570 ( 0.891 -0.000 2.145) 2.322 3.073 ( 6.106 -0.000 -0.074) 6.106 3.074 ( 6.105 -0.000 0.116) 6.106 3.528 ( -4.655 0.000 0.009) 4.655 3.529 ( -4.780 0.000 0.239) 4.786 3.706 ( -1.062 0.000 -0.621) 1.230 3.710 ( -1.213 0.000 0.238) 1.236 4.489 ( 0.025 0.000 -0.233) 0.234 4.491 ( -0.082 -0.000 0.265) 0.277 4.734 ( 0.783 0.000 -0.563) 0.965 4.741 ( 0.513 -0.000 0.912) 1.046 8.748 ( -1.460 0.000 -0.699) 1.619 8.754 ( -1.885 0.000 0.757) 2.032 9.196 ( -1.931 0.000 -1.789) 2.632 9.219 ( -2.866 -0.000 3.147) 4.257 9.582 ( -0.618 0.000 -1.872) 1.971 9.595 ( -0.855 -0.000 1.092) 1.387 9.651 ( -3.395 0.000 -1.338) 3.649 9.657 ( -3.546 0.000 0.178) 3.550 9.854 ( 0.986 -0.000 -0.201) 1.006 9.859 ( 0.840 -0.000 0.977) 1.289 10.102 ( -0.160 0.000 -0.551) 0.574 10.107 ( -0.368 -0.000 0.560) 0.670 10.208 ( -0.574 0.000 -0.050) 0.576 10.209 ( -0.601 0.000 0.186) 0.629 10.396 ( 3.256 -0.000 -1.196) 3.468 10.406 ( 2.830 -0.000 0.919) 2.975 ======================= Grid point 365 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 7.806 2.014) 8.062 0.660 ( -0.000 -5.362 0.470) 5.383 0.737 ( -0.000 5.744 1.303) 5.890 0.823 ( -0.000 -4.444 0.686) 4.497 0.974 ( -0.000 3.570 -1.465) 3.859 1.002 ( -0.000 0.489 -0.846) 0.977 1.044 ( -0.000 6.478 1.438) 6.636 1.085 ( -0.000 1.890 1.134) 2.204 1.214 ( 0.000 0.841 -3.948) 4.037 1.225 ( -0.000 0.513 -2.812) 2.859 1.372 ( -0.000 0.948 2.101) 2.305 1.386 ( -0.000 -0.017 1.262) 1.262 1.475 ( -0.000 1.390 -2.585) 2.936 1.511 ( -0.000 -2.798 -2.781) 3.945 1.544 ( 0.000 -0.327 2.348) 2.371 1.567 ( 0.000 -2.919 1.034) 3.097 1.662 ( 0.000 -0.171 2.240) 2.247 1.668 ( 0.000 -0.909 2.848) 2.990 1.857 ( 0.000 1.235 0.430) 1.307 1.872 ( -0.000 -0.707 0.135) 0.719 1.920 ( 0.000 1.024 -0.148) 1.034 1.940 ( 0.000 0.819 -0.227) 0.850 1.954 ( 0.000 -2.686 0.099) 2.688 1.971 ( 0.000 -2.447 -0.143) 2.451 2.487 ( -0.000 0.918 0.102) 0.924 2.500 ( 0.000 -0.646 -0.055) 0.648 2.540 ( -0.000 1.909 1.267) 2.291 2.569 ( -0.000 -1.659 0.881) 1.878 3.120 ( -0.000 0.627 0.144) 0.643 3.130 ( -0.000 -0.595 0.065) 0.598 3.486 ( -0.000 0.741 0.365) 0.826 3.494 ( -0.000 -0.336 0.233) 0.409 3.695 ( -0.000 0.192 -0.315) 0.369 3.697 ( 0.000 0.062 -0.281) 0.288 4.485 ( 0.000 0.275 -0.039) 0.278 4.495 ( -0.000 -1.131 -0.112) 1.136 4.731 ( -0.000 1.373 0.793) 1.586 4.764 ( -0.000 -2.773 0.179) 2.779 8.725 ( -0.000 1.253 0.156) 1.263 8.747 ( -0.000 -1.534 -0.162) 1.543 9.166 ( 0.000 2.763 1.476) 3.132 9.208 ( 0.000 -2.494 1.289) 2.808 9.581 ( -0.000 0.383 -1.845) 1.885 9.590 ( -0.000 -0.835 -0.714) 1.098 9.610 ( 0.000 0.052 -0.159) 0.167 9.614 ( 0.000 -0.300 -0.751) 0.809 9.844 ( 0.000 2.860 1.231) 3.114 9.895 ( 0.000 -3.514 0.205) 3.520 10.101 ( -0.000 -0.065 0.009) 0.065 10.102 ( -0.000 -0.193 -0.018) 0.194 10.203 ( 0.000 0.362 0.166) 0.398 10.205 ( 0.000 0.055 0.122) 0.134 10.414 ( 0.000 2.007 -0.073) 2.009 10.440 ( 0.000 -1.188 -0.448) 1.270 ======================= Grid point 366 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.825 0.000 -0.626) 1.930 0.664 ( -4.100 -0.000 2.392) 4.747 0.790 ( -0.360 -0.000 1.021) 1.083 0.803 ( -1.066 -0.000 2.183) 2.429 0.938 ( 3.880 0.000 -1.975) 4.353 0.967 ( 3.446 -0.000 -0.087) 3.447 1.070 ( 1.867 -0.000 -0.087) 1.869 1.093 ( -0.389 -0.000 0.886) 0.967 1.166 ( 1.111 0.000 -2.883) 3.090 1.203 ( 1.679 0.000 -2.577) 3.076 1.317 ( 3.271 -0.000 0.498) 3.309 1.419 ( 0.802 -0.000 3.627) 3.714 1.464 ( -1.861 0.000 -3.241) 3.738 1.532 ( -2.034 0.000 -0.081) 2.036 1.554 ( -0.572 0.000 -0.382) 0.688 1.605 ( -3.476 0.000 1.218) 3.683 1.641 ( 1.812 -0.000 1.293) 2.226 1.693 ( -0.821 -0.000 2.771) 2.890 1.880 ( -0.440 0.000 -0.253) 0.508 1.886 ( -0.103 -0.000 0.080) 0.130 1.916 ( 0.632 0.000 -0.505) 0.809 1.947 ( -1.148 -0.000 1.472) 1.866 1.952 ( -0.749 0.000 -0.607) 0.964 1.967 ( -1.244 0.000 0.444) 1.321 2.388 ( 9.992 -0.000 0.152) 9.993 2.395 ( 7.911 -0.000 0.520) 7.928 2.544 ( 1.268 0.000 -0.683) 1.440 2.591 ( 0.754 -0.000 2.559) 2.668 3.073 ( 6.155 -0.000 -0.049) 6.156 3.075 ( 6.148 -0.000 0.136) 6.149 3.529 ( -4.444 0.000 0.197) 4.449 3.532 ( -4.823 0.000 0.445) 4.843 3.699 ( -0.838 0.000 -0.884) 1.218 3.710 ( -1.290 0.000 -0.099) 1.294 4.487 ( 0.082 0.000 -0.191) 0.208 4.494 ( -0.238 -0.000 0.279) 0.367 4.731 ( 1.127 -0.000 -0.206) 1.145 4.751 ( 0.345 -0.000 1.072) 1.126 8.742 ( -1.096 0.000 -0.564) 1.232 8.761 ( -2.329 0.000 0.709) 2.435 9.186 ( -0.891 0.000 -0.539) 1.041 9.253 ( -3.685 -0.000 4.284) 5.651 9.560 ( -0.329 0.000 -2.951) 2.969 9.603 ( -0.954 -0.000 0.519) 1.086 9.634 ( -3.343 0.000 -2.145) 3.972 9.656 ( -3.625 0.000 -0.452) 3.653 9.855 ( 1.098 -0.000 0.403) 1.170 9.870 ( 0.685 -0.000 1.381) 1.542 10.097 ( 0.013 0.000 -0.475) 0.475 10.112 ( -0.590 -0.000 0.498) 0.772 10.208 ( -0.525 0.000 0.049) 0.528 10.212 ( -0.611 -0.000 0.306) 0.684 10.385 ( 3.691 -0.000 -1.314) 3.918 10.413 ( 2.446 -0.000 0.600) 2.519 ======================= Grid point 376 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 6.553 3.180) 7.284 0.664 ( -0.000 -4.136 0.306) 4.147 0.753 ( -0.000 5.539 2.303) 5.999 0.830 ( -0.000 -3.204 0.747) 3.290 0.963 ( -0.000 3.367 -0.654) 3.430 0.996 ( -0.000 0.311 -0.330) 0.454 1.056 ( -0.000 5.874 1.082) 5.973 1.097 ( -0.000 1.502 1.243) 1.950 1.169 ( 0.000 1.074 -5.623) 5.725 1.192 ( -0.000 -0.385 -4.099) 4.117 1.393 ( -0.000 1.083 2.280) 2.524 1.399 ( -0.000 0.722 1.595) 1.751 1.456 ( -0.000 1.486 -1.438) 2.068 1.487 ( -0.000 -2.250 -2.446) 3.323 1.560 ( 0.000 -1.298 1.051) 1.670 1.573 ( 0.000 -2.569 0.201) 2.577 1.690 ( 0.000 0.217 3.658) 3.664 1.700 ( 0.000 -1.025 3.794) 3.930 1.862 ( 0.000 1.045 0.638) 1.224 1.873 ( -0.000 -0.445 0.108) 0.458 1.918 ( 0.000 1.234 -0.183) 1.248 1.937 ( 0.000 0.960 -0.443) 1.057 1.956 ( 0.000 -2.755 0.197) 2.762 1.969 ( 0.000 -2.435 -0.256) 2.448 2.489 ( -0.000 0.790 0.250) 0.828 2.499 ( -0.000 -0.498 -0.067) 0.503 2.555 ( -0.000 1.705 1.960) 2.598 2.579 ( -0.000 -1.215 1.234) 1.732 3.122 ( -0.000 0.546 0.242) 0.597 3.130 ( -0.000 -0.517 0.042) 0.519 3.490 ( -0.000 0.677 0.584) 0.894 3.497 ( -0.000 -0.185 0.348) 0.394 3.692 ( -0.000 0.286 -0.468) 0.548 3.693 ( 0.000 0.109 -0.454) 0.467 4.485 ( 0.000 0.304 0.014) 0.305 4.494 ( -0.000 -0.943 -0.204) 0.965 4.740 ( 0.000 0.705 1.210) 1.400 4.766 ( -0.000 -2.458 0.213) 2.468 8.727 ( -0.000 1.023 0.293) 1.065 8.745 ( -0.000 -1.237 -0.293) 1.271 9.185 ( 0.000 2.664 2.565) 3.698 9.224 ( 0.000 -2.146 1.949) 2.899 9.559 ( -0.000 1.085 -2.749) 2.956 9.577 ( -0.000 -1.245 -2.095) 2.437 9.608 ( 0.000 -0.228 -0.385) 0.447 9.609 ( 0.000 -0.407 -0.103) 0.420 9.858 ( 0.000 2.061 1.738) 2.696 9.897 ( 0.000 -2.776 0.194) 2.783 10.101 ( -0.000 -0.092 0.017) 0.094 10.102 ( -0.000 -0.182 -0.022) 0.184 10.205 ( 0.000 0.322 0.257) 0.412 10.207 ( 0.000 0.084 0.183) 0.202 10.414 ( 0.000 1.761 -0.060) 1.762 10.434 ( 0.000 -0.805 -0.740) 1.093 ======================= Grid point 377 (121/125) ======================= q-point: ( 0.78 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.258 0.000 -0.538) 0.597 0.686 ( -4.141 -0.000 2.320) 4.746 0.802 ( -0.289 -0.000 1.558) 1.584 0.826 ( -1.498 -0.000 2.583) 2.986 0.921 ( 4.419 -0.000 -1.707) 4.737 0.968 ( 3.506 -0.000 0.645) 3.565 1.066 ( 4.210 -0.000 -1.087) 4.348 1.094 ( -0.286 0.000 -0.848) 0.895 1.142 ( -2.408 0.000 -2.144) 3.224 1.177 ( 0.329 0.000 -2.355) 2.378 1.331 ( 3.873 -0.000 1.916) 4.321 1.415 ( 0.907 0.000 -2.906) 3.044 1.472 ( -1.909 -0.000 3.335) 3.843 1.532 ( -2.662 0.000 0.118) 2.665 1.550 ( -0.429 0.000 -0.574) 0.716 1.600 ( -2.515 0.000 -1.410) 2.883 1.667 ( 2.467 -0.000 3.135) 3.989 1.718 ( 0.284 -0.000 2.442) 2.459 1.878 ( -0.186 0.000 -0.290) 0.345 1.886 ( 0.132 -0.000 -0.042) 0.139 1.913 ( 0.680 -0.000 -0.002) 0.680 1.946 ( -0.781 0.000 -0.560) 0.961 1.960 ( -1.803 -0.000 1.231) 2.183 1.971 ( -1.484 0.000 0.317) 1.517 2.390 ( 10.802 -0.000 0.336) 10.807 2.400 ( 7.595 -0.000 0.437) 7.608 2.540 ( 1.423 -0.000 -0.183) 1.435 2.614 ( 0.687 -0.000 2.347) 2.445 3.072 ( 6.231 -0.000 -0.050) 6.231 3.076 ( 6.209 -0.000 0.114) 6.210 3.531 ( -4.197 0.000 0.257) 4.205 3.536 ( -4.823 0.000 0.501) 4.849 3.690 ( -0.576 0.000 -0.886) 1.057 3.708 ( -1.315 0.000 -0.260) 1.340 4.485 ( 0.107 0.000 -0.136) 0.173 4.496 ( -0.408 -0.000 0.249) 0.478 4.730 ( 1.466 -0.000 0.015) 1.466 4.760 ( 0.265 -0.000 0.940) 0.977 8.737 ( -0.818 0.000 -0.387) 0.905 8.767 ( -2.723 0.000 0.550) 2.778 9.185 ( 0.123 -0.000 0.260) 0.288 9.296 ( -4.533 -0.000 4.878) 6.659 9.528 ( 0.095 0.000 -3.907) 3.908 9.602 ( -1.213 0.000 -0.932) 1.529 9.617 ( -3.172 0.000 -1.042) 3.339 9.651 ( -3.584 0.000 -0.469) 3.615 9.860 ( 1.188 -0.000 0.555) 1.311 9.883 ( 0.571 -0.000 1.234) 1.360 10.093 ( 0.144 0.000 -0.345) 0.374 10.116 ( -0.792 -0.000 0.373) 0.876 10.209 ( -0.468 0.000 0.087) 0.476 10.215 ( -0.628 -0.000 0.343) 0.715 10.373 ( 4.097 -0.000 -1.165) 4.260 10.417 ( 2.138 -0.000 0.327) 2.163 ======================= Grid point 388 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.000 4.619 3.297) 5.675 0.663 ( -0.000 -2.416 -0.533) 2.474 0.777 ( -0.000 5.339 2.705) 5.985 0.832 ( -0.000 -0.431 -0.426) 0.606 0.968 ( -0.000 1.722 1.808) 2.497 0.998 ( -0.000 -0.126 0.996) 1.004 1.060 ( -0.000 5.025 -0.361) 5.038 1.101 ( -0.000 -0.788 -2.146) 2.286 1.121 ( 0.000 3.400 -2.859) 4.442 1.156 ( -0.000 -0.573 -3.489) 3.536 1.411 ( -0.000 1.226 1.589) 2.007 1.413 ( -0.000 1.130 1.223) 1.666 1.449 ( -0.000 1.165 -0.326) 1.210 1.468 ( -0.000 -1.390 -1.729) 2.219 1.565 ( 0.000 -1.854 0.357) 1.888 1.573 ( 0.000 -2.442 -0.184) 2.449 1.723 ( 0.000 0.246 3.318) 3.327 1.732 ( 0.000 -0.836 2.925) 3.042 1.867 ( 0.000 0.685 0.489) 0.842 1.874 ( -0.000 -0.170 -0.068) 0.183 1.918 ( 0.000 1.541 0.054) 1.542 1.932 ( 0.000 1.220 -0.627) 1.371 1.958 ( 0.000 -2.787 0.278) 2.801 1.967 ( 0.000 -2.469 -0.319) 2.489 2.492 ( 0.000 0.586 0.336) 0.675 2.499 ( -0.000 -0.261 -0.103) 0.281 2.573 ( -0.000 1.347 1.880) 2.313 2.589 ( -0.000 -0.575 0.872) 1.044 3.124 ( -0.000 0.379 0.282) 0.472 3.130 ( -0.000 -0.365 -0.070) 0.372 3.496 ( -0.000 0.573 0.568) 0.807 3.500 ( 0.000 0.022 0.270) 0.271 3.687 ( -0.000 0.353 -0.384) 0.521 3.689 ( 0.000 0.187 -0.438) 0.476 4.485 ( 0.000 0.224 0.132) 0.260 4.492 ( -0.000 -0.654 -0.263) 0.704 4.751 ( 0.000 -0.088 1.161) 1.164 4.767 ( -0.000 -2.007 0.031) 2.008 8.730 ( -0.000 0.665 0.392) 0.772 8.742 ( -0.000 -0.802 -0.383) 0.888 9.211 ( 0.000 2.313 2.889) 3.701 9.240 ( 0.000 -1.311 1.437) 1.945 9.536 ( -0.000 0.963 -2.090) 2.301 9.554 ( -0.000 -1.359 -2.644) 2.973 9.606 ( 0.000 -0.281 -0.041) 0.284 9.608 ( 0.000 -0.514 -0.085) 0.521 9.874 ( 0.000 1.126 1.595) 1.952 9.897 ( 0.000 -1.821 -0.089) 1.823 10.102 ( -0.000 -0.123 0.020) 0.124 10.102 ( -0.000 -0.171 -0.017) 0.172 10.207 ( 0.000 0.272 0.237) 0.361 10.208 ( 0.000 0.124 0.151) 0.195 10.414 ( 0.000 1.375 0.088) 1.378 10.427 ( 0.000 -0.271 -0.794) 0.839 ======================= Grid point 389 (123/125) ======================= q-point: ( 0.89 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.969 -0.000 -0.365) 1.035 0.704 ( -4.178 0.000 1.405) 4.408 0.816 ( -0.511 -0.000 1.300) 1.397 0.846 ( -1.814 -0.000 1.629) 2.438 0.908 ( 5.430 -0.000 -0.961) 5.514 0.982 ( 3.850 -0.000 2.475) 4.577 1.046 ( 5.551 0.000 -3.199) 6.407 1.080 ( -0.205 0.000 -1.787) 1.798 1.129 ( -5.223 0.000 -0.667) 5.265 1.164 ( -0.632 0.000 -0.523) 0.820 1.346 ( 3.965 -0.000 1.237) 4.154 1.392 ( 1.549 0.000 -1.728) 2.321 1.499 ( -2.487 -0.000 2.375) 3.439 1.535 ( -3.640 0.000 0.451) 3.668 1.544 ( -0.131 0.000 -0.756) 0.767 1.587 ( -0.935 0.000 -1.248) 1.559 1.690 ( 2.792 -0.000 1.828) 3.337 1.736 ( 1.288 -0.000 1.465) 1.951 1.875 ( -0.102 0.000 -0.214) 0.237 1.885 ( 0.227 -0.000 -0.082) 0.241 1.915 ( 0.837 -0.000 0.207) 0.862 1.942 ( -0.972 0.000 -0.393) 1.049 1.969 ( -1.984 0.000 0.674) 2.095 1.973 ( -1.884 0.000 0.188) 1.894 2.393 ( 11.383 -0.000 0.264) 11.386 2.403 ( 7.436 -0.000 0.245) 7.440 2.539 ( 1.524 -0.000 0.015) 1.524 2.632 ( 0.669 -0.000 1.415) 1.565 3.072 ( 6.295 -0.000 -0.041) 6.295 3.077 ( 6.257 -0.000 0.062) 6.258 3.533 ( -3.995 0.000 0.175) 3.998 3.540 ( -4.821 0.000 0.339) 4.833 3.683 ( -0.352 0.000 -0.563) 0.664 3.706 ( -1.316 0.000 -0.204) 1.332 4.484 ( 0.119 0.000 -0.070) 0.139 4.498 ( -0.538 0.000 0.151) 0.559 4.731 ( 1.713 -0.000 0.063) 1.714 4.767 ( 0.238 -0.000 0.544) 0.594 8.735 ( -0.642 0.000 -0.195) 0.671 8.771 ( -2.996 0.000 0.300) 3.011 9.189 ( 0.892 -0.000 0.395) 0.976 9.339 ( -5.801 -0.000 4.235) 7.183 9.492 ( 1.078 0.000 -3.748) 3.900 9.589 ( -2.272 0.000 -1.353) 2.644 9.614 ( -2.231 0.000 0.040) 2.232 9.648 ( -3.505 0.000 -0.251) 3.514 9.864 ( 1.252 -0.000 0.359) 1.302 9.892 ( 0.509 -0.000 0.704) 0.869 10.091 ( 0.227 0.000 -0.181) 0.290 10.118 ( -0.935 0.000 0.199) 0.956 10.210 ( -0.423 0.000 0.063) 0.427 10.217 ( -0.660 0.000 0.235) 0.701 10.364 ( 4.407 -0.000 -0.699) 4.462 10.419 ( 1.937 -0.000 0.134) 1.941 ======================= Grid point 391 (124/125) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 1.426 -0.000 -0.000) 1.426 0.710 ( -4.201 0.000 0.000) 4.201 0.822 ( -0.789 0.000 0.000) 0.789 0.854 ( -1.890 0.000 0.000) 1.890 0.904 ( 6.121 -0.000 -0.000) 6.121 1.009 ( 2.934 -0.000 -0.000) 2.934 1.015 ( 6.485 -0.000 -0.000) 6.485 1.070 ( -0.322 0.000 0.000) 0.322 1.127 ( -5.751 0.000 0.000) 5.751 1.163 ( -0.923 0.000 0.000) 0.923 1.352 ( 3.976 -0.000 -0.000) 3.976 1.384 ( 1.916 -0.000 -0.000) 1.916 1.512 ( -3.237 0.000 0.000) 3.237 1.538 ( -4.415 0.000 0.000) 4.415 1.539 ( 0.435 -0.000 -0.000) 0.435 1.580 ( 0.027 -0.000 -0.000) 0.027 1.699 ( 2.986 -0.000 -0.000) 2.986 1.743 ( 1.693 -0.000 -0.000) 1.693 1.874 ( -0.121 0.000 0.000) 0.121 1.885 ( 0.238 -0.000 -0.000) 0.238 1.916 ( 0.996 -0.000 -0.000) 0.996 1.940 ( -1.132 0.000 0.000) 1.132 1.972 ( -1.631 0.000 0.000) 1.631 1.974 ( -2.436 0.000 0.000) 2.436 2.394 ( 11.594 -0.000 -0.000) 11.594 2.404 ( 7.389 -0.000 -0.000) 7.389 2.540 ( 1.560 -0.000 -0.000) 1.560 2.639 ( 0.669 -0.000 -0.000) 0.669 3.072 ( 6.320 -0.000 -0.000) 6.320 3.078 ( 6.276 -0.000 -0.000) 6.276 3.534 ( -3.916 0.000 0.000) 3.916 3.542 ( -4.824 0.000 0.000) 4.824 3.681 ( -0.260 0.000 0.000) 0.260 3.705 ( -1.314 0.000 0.000) 1.314 4.484 ( 0.123 -0.000 -0.000) 0.123 4.499 ( -0.587 0.000 0.000) 0.587 4.731 ( 1.803 -0.000 -0.000) 1.803 4.770 ( 0.232 -0.000 -0.000) 0.232 8.734 ( -0.582 0.000 0.000) 0.582 8.772 ( -3.093 0.000 0.000) 3.093 9.191 ( 1.185 -0.000 -0.000) 1.185 9.362 ( -7.159 0.000 0.000) 7.159 9.471 ( 2.338 -0.000 -0.000) 2.338 9.582 ( -2.473 0.000 0.000) 2.473 9.615 ( -2.090 0.000 0.000) 2.090 9.647 ( -3.470 0.000 0.000) 3.470 9.866 ( 1.275 -0.000 -0.000) 1.275 9.895 ( 0.491 -0.000 -0.000) 0.491 10.090 ( 0.255 -0.000 -0.000) 0.255 10.119 ( -0.987 0.000 0.000) 0.987 10.210 ( -0.406 0.000 0.000) 0.406 10.219 ( -0.680 0.000 0.000) 0.680 10.361 ( 4.526 -0.000 -0.000) 4.526 10.420 ( 1.866 -0.000 -0.000) 1.866 ======================= Grid point 402 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 2.239 2.681) 3.493 0.653 ( -0.000 -0.232 -1.666) 1.682 0.801 ( -0.000 4.579 2.533) 5.232 0.822 ( -0.000 2.656 -1.820) 3.220 0.995 ( 0.000 -0.577 3.659) 3.705 1.011 ( -0.000 -0.966 1.042) 1.421 1.050 ( -0.000 3.591 -1.516) 3.898 1.058 ( -0.000 1.401 -4.358) 4.577 1.121 ( 0.000 2.090 0.882) 2.268 1.132 ( -0.000 0.649 -1.730) 1.848 1.421 ( -0.000 1.183 0.512) 1.289 1.421 ( -0.000 1.245 0.531) 1.353 1.449 ( -0.000 0.607 0.350) 0.701 1.455 ( -0.000 -0.343 -0.997) 1.054 1.568 ( 0.000 -2.176 0.239) 2.189 1.570 ( 0.000 -2.354 -0.273) 2.370 1.747 ( 0.000 -0.023 1.582) 1.582 1.750 ( 0.000 -0.452 0.862) 0.973 1.871 ( 0.000 0.305 0.233) 0.384 1.872 ( -0.000 0.050 -0.185) 0.192 1.920 ( 0.000 1.694 0.483) 1.761 1.926 ( -0.000 1.527 -0.693) 1.677 1.961 ( -0.000 -2.713 0.324) 2.733 1.964 ( 0.000 -2.575 -0.338) 2.598 2.495 ( 0.000 0.324 0.306) 0.445 2.497 ( -0.000 0.028 -0.199) 0.201 2.588 ( -0.000 0.819 1.128) 1.393 2.593 ( -0.000 0.147 -0.051) 0.155 3.127 ( -0.000 0.134 0.269) 0.300 3.129 ( -0.000 -0.136 -0.195) 0.238 3.500 ( -0.000 0.427 0.330) 0.540 3.502 ( 0.000 0.238 0.006) 0.238 3.685 ( -0.000 0.347 -0.107) 0.364 3.686 ( 0.000 0.279 -0.221) 0.356 4.487 ( 0.000 0.004 0.234) 0.234 4.489 ( -0.000 -0.314 -0.278) 0.419 4.761 ( 0.000 -0.827 0.800) 1.150 4.766 ( -0.000 -1.463 -0.343) 1.502 8.734 ( 0.000 0.210 0.439) 0.487 8.738 ( -0.000 -0.297 -0.433) 0.525 9.235 ( 0.000 1.465 2.104) 2.564 9.246 ( -0.000 0.073 -0.282) 0.291 9.525 ( 0.000 0.073 -0.152) 0.169 9.533 ( -0.000 -0.917 -1.820) 2.038 9.606 ( 0.000 -0.381 0.059) 0.386 9.607 ( 0.000 -0.474 -0.082) 0.481 9.887 ( 0.000 0.164 1.126) 1.138 9.894 ( -0.000 -0.819 -0.570) 0.998 10.102 ( -0.000 -0.147 0.018) 0.148 10.102 ( -0.000 -0.161 -0.014) 0.162 10.209 ( 0.000 0.220 0.122) 0.251 10.209 ( 0.000 0.170 0.031) 0.173 10.416 ( 0.000 0.881 0.350) 0.948 10.420 ( 0.000 0.315 -0.629) 0.703 =================== 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 3/39366 10.0 12.710 9.724 5.400 0.000 0.000 -0.000 3/39366 20.0 4.230 2.528 1.406 0.000 0.000 -0.000 3/39366 30.0 2.876 1.416 0.803 0.000 0.000 -0.000 3/39366 40.0 2.316 0.995 0.571 0.000 0.000 -0.000 3/39366 50.0 1.969 0.773 0.447 0.000 0.000 -0.000 3/39366 60.0 1.719 0.634 0.369 0.000 0.000 -0.000 3/39366 70.0 1.526 0.539 0.316 0.000 0.000 -0.000 3/39366 80.0 1.374 0.471 0.278 0.000 0.000 -0.000 3/39366 90.0 1.250 0.419 0.250 0.000 0.000 -0.000 3/39366 100.0 1.148 0.378 0.227 0.000 0.000 -0.000 3/39366 110.0 1.061 0.345 0.209 0.000 0.000 -0.000 3/39366 120.0 0.988 0.318 0.194 0.000 0.000 -0.000 3/39366 130.0 0.925 0.295 0.182 0.000 0.000 -0.000 3/39366 140.0 0.869 0.275 0.171 0.000 0.000 -0.000 3/39366 150.0 0.820 0.258 0.162 0.000 0.000 -0.000 3/39366 160.0 0.777 0.243 0.154 0.000 0.000 -0.000 3/39366 170.0 0.738 0.230 0.146 0.000 0.000 -0.000 3/39366 180.0 0.703 0.219 0.140 0.000 0.000 -0.000 3/39366 190.0 0.671 0.208 0.133 0.000 0.000 -0.000 3/39366 200.0 0.641 0.198 0.128 0.000 0.000 -0.000 3/39366 210.0 0.615 0.190 0.123 0.000 0.000 -0.000 3/39366 220.0 0.590 0.182 0.118 0.000 0.000 -0.000 3/39366 230.0 0.568 0.175 0.114 0.000 0.000 -0.000 3/39366 240.0 0.547 0.168 0.110 0.000 0.000 -0.000 3/39366 250.0 0.527 0.162 0.106 0.000 0.000 -0.000 3/39366 260.0 0.509 0.156 0.103 0.000 0.000 -0.000 3/39366 270.0 0.492 0.150 0.099 0.000 0.000 -0.000 3/39366 280.0 0.476 0.145 0.096 0.000 0.000 -0.000 3/39366 290.0 0.462 0.141 0.094 0.000 0.000 -0.000 3/39366 300.0 0.448 0.136 0.091 0.000 0.000 -0.000 3/39366 310.0 0.434 0.132 0.088 0.000 0.000 -0.000 3/39366 320.0 0.422 0.128 0.086 0.000 0.000 -0.000 3/39366 330.0 0.410 0.125 0.084 0.000 0.000 -0.000 3/39366 340.0 0.399 0.121 0.081 0.000 0.000 -0.000 3/39366 350.0 0.389 0.118 0.079 0.000 0.000 -0.000 3/39366 360.0 0.379 0.115 0.077 0.000 0.000 -0.000 3/39366 370.0 0.369 0.112 0.076 0.000 0.000 -0.000 3/39366 380.0 0.360 0.109 0.074 0.000 0.000 -0.000 3/39366 390.0 0.352 0.107 0.072 0.000 0.000 -0.000 3/39366 400.0 0.344 0.104 0.070 0.000 0.000 -0.000 3/39366 410.0 0.336 0.102 0.069 0.000 0.000 -0.000 3/39366 420.0 0.328 0.099 0.067 0.000 0.000 -0.000 3/39366 430.0 0.321 0.097 0.066 0.000 0.000 -0.000 3/39366 440.0 0.315 0.095 0.065 0.000 0.000 -0.000 3/39366 450.0 0.308 0.093 0.063 0.000 0.000 -0.000 3/39366 460.0 0.302 0.091 0.062 0.000 0.000 -0.000 3/39366 470.0 0.296 0.089 0.061 0.000 0.000 -0.000 3/39366 480.0 0.290 0.088 0.060 0.000 0.000 -0.000 3/39366 490.0 0.284 0.086 0.059 0.000 0.000 -0.000 3/39366 500.0 0.279 0.084 0.057 0.000 0.000 -0.000 3/39366 510.0 0.274 0.083 0.056 0.000 0.000 -0.000 3/39366 520.0 0.269 0.081 0.055 0.000 0.000 -0.000 3/39366 530.0 0.264 0.080 0.054 0.000 0.000 -0.000 3/39366 540.0 0.259 0.078 0.054 0.000 0.000 -0.000 3/39366 550.0 0.255 0.077 0.053 0.000 0.000 -0.000 3/39366 560.0 0.251 0.076 0.052 0.000 0.000 -0.000 3/39366 570.0 0.246 0.074 0.051 0.000 0.000 -0.000 3/39366 580.0 0.242 0.073 0.050 0.000 0.000 -0.000 3/39366 590.0 0.238 0.072 0.049 0.000 0.000 -0.000 3/39366 600.0 0.235 0.071 0.049 0.000 0.000 -0.000 3/39366 610.0 0.231 0.070 0.048 0.000 0.000 -0.000 3/39366 620.0 0.227 0.069 0.047 0.000 0.000 -0.000 3/39366 630.0 0.224 0.068 0.046 0.000 0.000 -0.000 3/39366 640.0 0.221 0.066 0.046 0.000 0.000 -0.000 3/39366 650.0 0.217 0.066 0.045 0.000 0.000 -0.000 3/39366 660.0 0.214 0.065 0.044 0.000 0.000 -0.000 3/39366 670.0 0.211 0.064 0.044 0.000 0.000 -0.000 3/39366 680.0 0.208 0.063 0.043 0.000 0.000 -0.000 3/39366 690.0 0.205 0.062 0.043 0.000 0.000 -0.000 3/39366 700.0 0.203 0.061 0.042 0.000 0.000 -0.000 3/39366 710.0 0.200 0.060 0.041 0.000 0.000 -0.000 3/39366 720.0 0.197 0.059 0.041 0.000 0.000 -0.000 3/39366 730.0 0.195 0.059 0.040 0.000 0.000 -0.000 3/39366 740.0 0.192 0.058 0.040 0.000 0.000 -0.000 3/39366 750.0 0.190 0.057 0.039 0.000 0.000 -0.000 3/39366 760.0 0.187 0.056 0.039 0.000 0.000 -0.000 3/39366 770.0 0.185 0.056 0.038 0.000 0.000 -0.000 3/39366 780.0 0.183 0.055 0.038 0.000 0.000 -0.000 3/39366 790.0 0.180 0.054 0.037 0.000 0.000 -0.000 3/39366 800.0 0.178 0.054 0.037 0.000 0.000 -0.000 3/39366 810.0 0.176 0.053 0.037 0.000 0.000 -0.000 3/39366 820.0 0.174 0.052 0.036 0.000 0.000 -0.000 3/39366 830.0 0.172 0.052 0.036 0.000 0.000 -0.000 3/39366 840.0 0.170 0.051 0.035 0.000 0.000 -0.000 3/39366 850.0 0.168 0.051 0.035 0.000 0.000 -0.000 3/39366 860.0 0.166 0.050 0.035 0.000 0.000 -0.000 3/39366 870.0 0.164 0.049 0.034 0.000 0.000 -0.000 3/39366 880.0 0.162 0.049 0.034 0.000 0.000 -0.000 3/39366 890.0 0.161 0.048 0.033 0.000 0.000 -0.000 3/39366 900.0 0.159 0.048 0.033 0.000 0.000 -0.000 3/39366 910.0 0.157 0.047 0.033 0.000 0.000 -0.000 3/39366 920.0 0.156 0.047 0.032 0.000 0.000 -0.000 3/39366 930.0 0.154 0.046 0.032 0.000 0.000 -0.000 3/39366 940.0 0.152 0.046 0.032 0.000 0.000 -0.000 3/39366 950.0 0.151 0.045 0.031 0.000 0.000 -0.000 3/39366 960.0 0.149 0.045 0.031 0.000 0.000 -0.000 3/39366 970.0 0.148 0.044 0.031 0.000 0.000 -0.000 3/39366 980.0 0.146 0.044 0.030 0.000 0.000 -0.000 3/39366 990.0 0.145 0.044 0.030 0.000 0.000 -0.000 3/39366 1000.0 0.144 0.043 0.030 0.000 0.000 -0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|