----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.968210971009125 0.000000000000000 0.000000000000000 b 0.000000000000000 7.001096150000000 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): *1 K 0.45973350335585 0.75000000000000 0.35750383124259 39.098 *2 K 0.01605223054875 0.75000000000000 0.10377706718560 39.098 3 K 0.54026649664416 0.25000000000000 0.64249616875741 39.098 4 K 0.98394776945125 0.25000000000000 0.89622293281440 39.098 *5 Na 0.20737657524150 0.25000000000000 0.24055567719170 22.990 6 Na 0.79262342475850 0.75000000000000 0.75944432280830 22.990 *7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 *8 Al 0.30981263208049 0.75000000000000 0.71772551168841 26.982 9 Al 0.69018736791951 0.25000000000000 0.28227448831159 26.982 *10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 *13 F 0.21512262678752 0.56194523233765 0.60301605396596 18.998 *14 F 0.13061658891922 0.95909411247748 0.34631936448071 18.998 *15 F 0.73920096481047 0.54589513942018 0.95007569517447 18.998 16 F 0.86938341108078 0.04090588752252 0.65368063551929 18.998 17 F 0.78487737321248 0.06194523233765 0.39698394603404 18.998 *18 F 0.47023901452641 0.75000000000000 0.05814235920521 18.998 *19 F 0.41944992161438 0.55918611419880 0.82462072273317 18.998 *20 F 0.91997526035995 0.75000000000000 0.50314473597206 18.998 21 F 0.26079903518953 0.04589513942018 0.04992430482552 18.998 *22 F 0.52395860988523 0.75000000000000 0.62055992150856 18.998 23 F 0.73920096481047 0.95410486057982 0.95007569517447 18.998 24 F 0.58055007838562 0.44081388580120 0.17537927726683 18.998 25 F 0.58055007838562 0.05918611419880 0.17537927726683 18.998 26 F 0.52976098547359 0.25000000000000 0.94185764079479 18.998 27 F 0.21512262678752 0.93805476766235 0.60301605396596 18.998 *28 F 0.10500979526361 0.75000000000000 0.82135264907316 18.998 29 F 0.89499020473640 0.25000000000000 0.17864735092684 18.998 30 F 0.13061658891922 0.54090588752252 0.34631936448071 18.998 31 F 0.47604139011477 0.25000000000000 0.37944007849144 18.998 32 F 0.86938341108078 0.45909411247748 0.65368063551929 18.998 33 F 0.78487737321248 0.43805476766235 0.39698394603404 18.998 34 F 0.41944992161438 0.94081388580120 0.82462072273317 18.998 35 F 0.08002473964005 0.25000000000000 0.49685526402794 18.998 36 F 0.26079903518953 0.45410486057982 0.04992430482552 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.968210971009125 0.000000000000000 0.000000000000000 b 0.000000000000000 7.001096150000000 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): *1 K 0.45973350335585 0.75000000000000 0.35750383124259 39.098 > 1 *2 K 0.01605223054875 0.75000000000000 0.10377706718560 39.098 > 2 3 K 0.54026649664416 0.25000000000000 0.64249616875741 39.098 > 3 4 K 0.98394776945125 0.25000000000000 0.89622293281440 39.098 > 4 *5 Na 0.20737657524150 0.25000000000000 0.24055567719170 22.990 > 5 6 Na 0.79262342475850 0.75000000000000 0.75944432280830 22.990 > 6 *7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 7 *8 Al 0.30981263208049 0.75000000000000 0.71772551168841 26.982 > 8 9 Al 0.69018736791951 0.25000000000000 0.28227448831159 26.982 > 9 *10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 10 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 12 *13 F 0.21512262678752 0.56194523233765 0.60301605396596 18.998 > 13 *14 F 0.13061658891922 0.95909411247748 0.34631936448071 18.998 > 14 *15 F 0.73920096481047 0.54589513942018 0.95007569517447 18.998 > 15 16 F 0.86938341108078 0.04090588752252 0.65368063551929 18.998 > 16 17 F 0.78487737321248 0.06194523233765 0.39698394603404 18.998 > 17 *18 F 0.47023901452641 0.75000000000000 0.05814235920521 18.998 > 18 *19 F 0.41944992161438 0.55918611419880 0.82462072273317 18.998 > 19 *20 F 0.91997526035995 0.75000000000000 0.50314473597206 18.998 > 20 21 F 0.26079903518953 0.04589513942018 0.04992430482552 18.998 > 21 *22 F 0.52395860988523 0.75000000000000 0.62055992150856 18.998 > 22 23 F 0.73920096481047 0.95410486057982 0.95007569517447 18.998 > 23 24 F 0.58055007838562 0.44081388580120 0.17537927726683 18.998 > 24 25 F 0.58055007838562 0.05918611419880 0.17537927726683 18.998 > 25 26 F 0.52976098547359 0.25000000000000 0.94185764079479 18.998 > 26 27 F 0.21512262678752 0.93805476766235 0.60301605396596 18.998 > 27 *28 F 0.10500979526361 0.75000000000000 0.82135264907316 18.998 > 28 29 F 0.89499020473640 0.25000000000000 0.17864735092684 18.998 > 29 30 F 0.13061658891922 0.54090588752252 0.34631936448071 18.998 > 30 31 F 0.47604139011477 0.25000000000000 0.37944007849144 18.998 > 31 32 F 0.86938341108078 0.45909411247748 0.65368063551929 18.998 > 32 33 F 0.78487737321248 0.43805476766235 0.39698394603404 18.998 > 33 34 F 0.41944992161438 0.94081388580120 0.82462072273317 18.998 > 34 35 F 0.08002473964005 0.25000000000000 0.49685526402794 18.998 > 35 36 F 0.26079903518953 0.45410486057982 0.04992430482552 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.936421942018249 0.000000000000000 0.000000000000000 b 0.000000000000000 14.002192300000001 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): *1 K 0.22986675167792 0.37500000000000 0.35750383124259 39.098 > 1 2 K 0.72986675167792 0.37500000000000 0.35750383124259 39.098 > 1 3 K 0.22986675167792 0.87500000000000 0.35750383124259 39.098 > 1 4 K 0.72986675167792 0.87500000000000 0.35750383124259 39.098 > 1 *5 K 0.00802611527437 0.37500000000000 0.10377706718560 39.098 > 2 6 K 0.50802611527437 0.37500000000000 0.10377706718560 39.098 > 2 7 K 0.00802611527437 0.87500000000000 0.10377706718560 39.098 > 2 8 K 0.50802611527437 0.87500000000000 0.10377706718560 39.098 > 2 9 K 0.27013324832208 0.12500000000000 0.64249616875741 39.098 > 3 10 K 0.77013324832208 0.12500000000000 0.64249616875741 39.098 > 3 11 K 0.27013324832208 0.62500000000000 0.64249616875741 39.098 > 3 12 K 0.77013324832208 0.62500000000000 0.64249616875741 39.098 > 3 13 K 0.49197388472563 0.12500000000000 0.89622293281440 39.098 > 4 14 K 0.99197388472563 0.12500000000000 0.89622293281440 39.098 > 4 15 K 0.49197388472563 0.62500000000000 0.89622293281440 39.098 > 4 16 K 0.99197388472563 0.62500000000000 0.89622293281440 39.098 > 4 *17 Na 0.10368828762075 0.12500000000000 0.24055567719170 22.990 > 5 18 Na 0.60368828762075 0.12500000000000 0.24055567719170 22.990 > 5 19 Na 0.10368828762075 0.62500000000000 0.24055567719170 22.990 > 5 20 Na 0.60368828762075 0.62500000000000 0.24055567719170 22.990 > 5 21 Na 0.39631171237925 0.37500000000000 0.75944432280830 22.990 > 6 22 Na 0.89631171237925 0.37500000000000 0.75944432280830 22.990 > 6 23 Na 0.39631171237925 0.87500000000000 0.75944432280830 22.990 > 6 24 Na 0.89631171237925 0.87500000000000 0.75944432280830 22.990 > 6 *25 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 7 26 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 7 27 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 7 28 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 7 *29 Al 0.15490631604025 0.37500000000000 0.71772551168841 26.982 > 8 30 Al 0.65490631604025 0.37500000000000 0.71772551168841 26.982 > 8 31 Al 0.15490631604025 0.87500000000000 0.71772551168841 26.982 > 8 32 Al 0.65490631604025 0.87500000000000 0.71772551168841 26.982 > 8 33 Al 0.34509368395975 0.12500000000000 0.28227448831159 26.982 > 9 34 Al 0.84509368395975 0.12500000000000 0.28227448831159 26.982 > 9 35 Al 0.34509368395975 0.62500000000000 0.28227448831159 26.982 > 9 36 Al 0.84509368395975 0.62500000000000 0.28227448831159 26.982 > 9 *37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 10 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 10 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 10 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 10 41 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 11 42 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 11 43 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 11 44 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 11 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 12 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 12 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 12 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 12 *49 F 0.10756131339376 0.28097261616883 0.60301605396596 18.998 > 13 50 F 0.60756131339376 0.28097261616883 0.60301605396596 18.998 > 13 51 F 0.10756131339376 0.78097261616883 0.60301605396596 18.998 > 13 52 F 0.60756131339376 0.78097261616883 0.60301605396596 18.998 > 13 *53 F 0.06530829445961 0.47954705623874 0.34631936448071 18.998 > 14 54 F 0.56530829445961 0.47954705623874 0.34631936448071 18.998 > 14 55 F 0.06530829445961 0.97954705623874 0.34631936448071 18.998 > 14 56 F 0.56530829445961 0.97954705623874 0.34631936448071 18.998 > 14 *57 F 0.36960048240523 0.27294756971009 0.95007569517447 18.998 > 15 58 F 0.86960048240523 0.27294756971009 0.95007569517447 18.998 > 15 59 F 0.36960048240523 0.77294756971009 0.95007569517447 18.998 > 15 60 F 0.86960048240523 0.77294756971009 0.95007569517447 18.998 > 15 61 F 0.43469170554039 0.02045294376126 0.65368063551929 18.998 > 16 62 F 0.93469170554039 0.02045294376126 0.65368063551929 18.998 > 16 63 F 0.43469170554039 0.52045294376126 0.65368063551929 18.998 > 16 64 F 0.93469170554039 0.52045294376126 0.65368063551929 18.998 > 16 65 F 0.39243868660624 0.03097261616883 0.39698394603404 18.998 > 17 66 F 0.89243868660624 0.03097261616883 0.39698394603404 18.998 > 17 67 F 0.39243868660624 0.53097261616883 0.39698394603404 18.998 > 17 68 F 0.89243868660624 0.53097261616883 0.39698394603404 18.998 > 17 *69 F 0.23511950726321 0.37500000000000 0.05814235920521 18.998 > 18 70 F 0.73511950726321 0.37500000000000 0.05814235920521 18.998 > 18 71 F 0.23511950726321 0.87500000000000 0.05814235920521 18.998 > 18 72 F 0.73511950726321 0.87500000000000 0.05814235920521 18.998 > 18 *73 F 0.20972496080719 0.27959305709940 0.82462072273317 18.998 > 19 74 F 0.70972496080719 0.27959305709940 0.82462072273317 18.998 > 19 75 F 0.20972496080719 0.77959305709940 0.82462072273317 18.998 > 19 76 F 0.70972496080719 0.77959305709940 0.82462072273317 18.998 > 19 *77 F 0.45998763017998 0.37500000000000 0.50314473597206 18.998 > 20 78 F 0.95998763017998 0.37500000000000 0.50314473597206 18.998 > 20 79 F 0.45998763017998 0.87500000000000 0.50314473597206 18.998 > 20 80 F 0.95998763017998 0.87500000000000 0.50314473597206 18.998 > 20 81 F 0.13039951759477 0.02294756971009 0.04992430482552 18.998 > 21 82 F 0.63039951759477 0.02294756971009 0.04992430482552 18.998 > 21 83 F 0.13039951759477 0.52294756971009 0.04992430482552 18.998 > 21 84 F 0.63039951759477 0.52294756971009 0.04992430482552 18.998 > 21 *85 F 0.26197930494262 0.37500000000000 0.62055992150856 18.998 > 22 86 F 0.76197930494262 0.37500000000000 0.62055992150856 18.998 > 22 87 F 0.26197930494262 0.87500000000000 0.62055992150856 18.998 > 22 88 F 0.76197930494262 0.87500000000000 0.62055992150856 18.998 > 22 89 F 0.36960048240523 0.47705243028991 0.95007569517447 18.998 > 23 90 F 0.86960048240523 0.47705243028991 0.95007569517447 18.998 > 23 91 F 0.36960048240523 0.97705243028991 0.95007569517447 18.998 > 23 92 F 0.86960048240523 0.97705243028991 0.95007569517447 18.998 > 23 93 F 0.29027503919281 0.22040694290060 0.17537927726683 18.998 > 24 94 F 0.79027503919281 0.22040694290060 0.17537927726683 18.998 > 24 95 F 0.29027503919281 0.72040694290060 0.17537927726683 18.998 > 24 96 F 0.79027503919281 0.72040694290060 0.17537927726683 18.998 > 24 97 F 0.29027503919281 0.02959305709940 0.17537927726683 18.998 > 25 98 F 0.79027503919281 0.02959305709940 0.17537927726683 18.998 > 25 99 F 0.29027503919281 0.52959305709940 0.17537927726683 18.998 > 25 100 F 0.79027503919281 0.52959305709940 0.17537927726683 18.998 > 25 101 F 0.26488049273679 0.12500000000000 0.94185764079479 18.998 > 26 102 F 0.76488049273679 0.12500000000000 0.94185764079479 18.998 > 26 103 F 0.26488049273679 0.62500000000000 0.94185764079479 18.998 > 26 104 F 0.76488049273679 0.62500000000000 0.94185764079479 18.998 > 26 105 F 0.10756131339376 0.46902738383117 0.60301605396596 18.998 > 27 106 F 0.60756131339376 0.46902738383117 0.60301605396596 18.998 > 27 107 F 0.10756131339376 0.96902738383117 0.60301605396596 18.998 > 27 108 F 0.60756131339376 0.96902738383117 0.60301605396596 18.998 > 27 *109 F 0.05250489763180 0.37500000000000 0.82135264907316 18.998 > 28 110 F 0.55250489763180 0.37500000000000 0.82135264907316 18.998 > 28 111 F 0.05250489763180 0.87500000000000 0.82135264907316 18.998 > 28 112 F 0.55250489763180 0.87500000000000 0.82135264907316 18.998 > 28 113 F 0.44749510236820 0.12500000000000 0.17864735092684 18.998 > 29 114 F 0.94749510236820 0.12500000000000 0.17864735092684 18.998 > 29 115 F 0.44749510236820 0.62500000000000 0.17864735092684 18.998 > 29 116 F 0.94749510236820 0.62500000000000 0.17864735092684 18.998 > 29 117 F 0.06530829445961 0.27045294376126 0.34631936448071 18.998 > 30 118 F 0.56530829445961 0.27045294376126 0.34631936448071 18.998 > 30 119 F 0.06530829445961 0.77045294376126 0.34631936448071 18.998 > 30 120 F 0.56530829445961 0.77045294376126 0.34631936448071 18.998 > 30 121 F 0.23802069505738 0.12500000000000 0.37944007849144 18.998 > 31 122 F 0.73802069505738 0.12500000000000 0.37944007849144 18.998 > 31 123 F 0.23802069505738 0.62500000000000 0.37944007849144 18.998 > 31 124 F 0.73802069505738 0.62500000000000 0.37944007849144 18.998 > 31 125 F 0.43469170554039 0.22954705623874 0.65368063551929 18.998 > 32 126 F 0.93469170554039 0.22954705623874 0.65368063551929 18.998 > 32 127 F 0.43469170554039 0.72954705623874 0.65368063551929 18.998 > 32 128 F 0.93469170554039 0.72954705623874 0.65368063551929 18.998 > 32 129 F 0.39243868660624 0.21902738383117 0.39698394603404 18.998 > 33 130 F 0.89243868660624 0.21902738383117 0.39698394603404 18.998 > 33 131 F 0.39243868660624 0.71902738383117 0.39698394603404 18.998 > 33 132 F 0.89243868660624 0.71902738383117 0.39698394603404 18.998 > 33 133 F 0.20972496080719 0.47040694290060 0.82462072273317 18.998 > 34 134 F 0.70972496080719 0.47040694290060 0.82462072273317 18.998 > 34 135 F 0.20972496080719 0.97040694290060 0.82462072273317 18.998 > 34 136 F 0.70972496080719 0.97040694290060 0.82462072273317 18.998 > 34 137 F 0.04001236982002 0.12500000000000 0.49685526402794 18.998 > 35 138 F 0.54001236982002 0.12500000000000 0.49685526402794 18.998 > 35 139 F 0.04001236982002 0.62500000000000 0.49685526402794 18.998 > 35 140 F 0.54001236982002 0.62500000000000 0.49685526402794 18.998 > 35 141 F 0.13039951759477 0.22705243028991 0.04992430482552 18.998 > 36 142 F 0.63039951759477 0.22705243028991 0.04992430482552 18.998 > 36 143 F 0.13039951759477 0.72705243028991 0.04992430482552 18.998 > 36 144 F 0.63039951759477 0.72705243028991 0.04992430482552 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9250494 0.0000000 0.0134103 0.0000000 1.9419378 0.0000000 0.0134109 0.0000000 1.9430039 -------------------------- Born effective charges -------------------------- 1 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 2 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 3 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 4 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 5 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 6 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 7 Al 2.6339877 0.0365988 0.0763523 0.1134651 2.9640158 0.1253379 0.0573428 0.1222117 2.7787364 8 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 9 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 10 Al 2.7041513 0.1410193 0.0368427 0.1361849 2.9890965 0.1344345 0.1127647 0.1212647 2.6883173 11 Al 2.6339877 -0.0365988 0.0763523 -0.1134651 2.9640158 -0.1253379 0.0573428 -0.1222117 2.7787364 12 Al 2.7041513 -0.1410193 0.0368427 -0.1361849 2.9890965 -0.1344345 0.1127647 -0.1212647 2.6883173 13 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 14 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 15 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 16 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 17 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 18 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 19 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 20 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 21 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 22 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 23 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 24 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 25 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 26 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 27 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 28 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 29 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 30 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 31 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 32 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 33 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 34 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 35 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 36 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1428 / 1428 (1) 413 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5983), data: False |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1172, 1160), data: False |-- (1172, 22), data: (1172, 34) @ (34, 22) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1172, 1160), data: False |-- (1172, 22), data: (1172, 34) @ (34, 22) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1428, 1401), data: False |-- (1428, 38), data: (1428, 65) @ (65, 38) |-- (428, 413), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 17), data: (500, 44) @ (44, 17) |-- (250, 223), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.906 Solver_block: 200 / 1120 - Time: 1.694 Solver_block: 300 / 1120 - Time: 1.688 Solver_block: 400 / 1120 - Time: 1.689 Solver_block: 500 / 1120 - Time: 1.689 Solver_block: 600 / 1120 - Time: 1.690 Solver_block: 700 / 1120 - Time: 1.687 Solver_block: 800 / 1120 - Time: 1.687 Solver_block: 900 / 1120 - Time: 1.685 Solver_block: 1000 / 1120 - Time: 1.687 Solver_block: 1100 / 1120 - Time: 1.689 Solver_block: 1120 / 1120 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.839 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1428 / 1428 (1) 413 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5983), data: False |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1172, 1160), data: False |-- (1172, 22), data: (1172, 34) @ (34, 22) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1172, 1160), data: False |-- (1172, 22), data: (1172, 34) @ (34, 22) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 8), data: (500, 20) @ (20, 8) |-- (250, 242), data: True |-- (250, 238), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1428, 1401), data: False |-- (1428, 38), data: (1428, 65) @ (65, 38) |-- (428, 413), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 17), data: (500, 44) @ (44, 17) |-- (250, 223), data: True |-- (250, 233), 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 15:36:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:36:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.968210971009125 0.000000000000000 0.000000000000000 b 0.000000000000000 7.001096150000000 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): 1 K 0.45973350335585 0.75000000000000 0.35750383124259 39.098 2 K 0.01605223054875 0.75000000000000 0.10377706718560 39.098 3 K 0.54026649664416 0.25000000000000 0.64249616875741 39.098 4 K 0.98394776945125 0.25000000000000 0.89622293281440 39.098 5 Na 0.20737657524150 0.25000000000000 0.24055567719170 22.990 6 Na 0.79262342475850 0.75000000000000 0.75944432280830 22.990 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.30981263208049 0.75000000000000 0.71772551168841 26.982 9 Al 0.69018736791951 0.25000000000000 0.28227448831159 26.982 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 13 F 0.21512262678752 0.56194523233765 0.60301605396596 18.998 14 F 0.13061658891922 0.95909411247748 0.34631936448071 18.998 15 F 0.73920096481047 0.54589513942018 0.95007569517447 18.998 16 F 0.86938341108078 0.04090588752252 0.65368063551929 18.998 17 F 0.78487737321248 0.06194523233765 0.39698394603404 18.998 18 F 0.47023901452641 0.75000000000000 0.05814235920521 18.998 19 F 0.41944992161438 0.55918611419880 0.82462072273317 18.998 20 F 0.91997526035995 0.75000000000000 0.50314473597206 18.998 21 F 0.26079903518953 0.04589513942018 0.04992430482552 18.998 22 F 0.52395860988523 0.75000000000000 0.62055992150856 18.998 23 F 0.73920096481047 0.95410486057982 0.95007569517447 18.998 24 F 0.58055007838562 0.44081388580120 0.17537927726683 18.998 25 F 0.58055007838562 0.05918611419880 0.17537927726683 18.998 26 F 0.52976098547359 0.25000000000000 0.94185764079479 18.998 27 F 0.21512262678752 0.93805476766235 0.60301605396596 18.998 28 F 0.10500979526361 0.75000000000000 0.82135264907316 18.998 29 F 0.89499020473640 0.25000000000000 0.17864735092684 18.998 30 F 0.13061658891922 0.54090588752252 0.34631936448071 18.998 31 F 0.47604139011477 0.25000000000000 0.37944007849144 18.998 32 F 0.86938341108078 0.45909411247748 0.65368063551929 18.998 33 F 0.78487737321248 0.43805476766235 0.39698394603404 18.998 34 F 0.41944992161438 0.94081388580120 0.82462072273317 18.998 35 F 0.08002473964005 0.25000000000000 0.49685526402794 18.998 36 F 0.26079903518953 0.45410486057982 0.04992430482552 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.936421942018249 0.000000000000000 0.000000000000000 b 0.000000000000000 14.002192300000001 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): 1 K 0.22986675167792 0.37500000000000 0.35750383124259 39.098 > 1 2 K 0.72986675167792 0.37500000000000 0.35750383124259 39.098 > 1 3 K 0.22986675167792 0.87500000000000 0.35750383124259 39.098 > 1 4 K 0.72986675167792 0.87500000000000 0.35750383124259 39.098 > 1 5 K 0.00802611527437 0.37500000000000 0.10377706718560 39.098 > 5 6 K 0.50802611527437 0.37500000000000 0.10377706718560 39.098 > 5 7 K 0.00802611527437 0.87500000000000 0.10377706718560 39.098 > 5 8 K 0.50802611527437 0.87500000000000 0.10377706718560 39.098 > 5 9 K 0.27013324832208 0.12500000000000 0.64249616875741 39.098 > 9 10 K 0.77013324832208 0.12500000000000 0.64249616875741 39.098 > 9 11 K 0.27013324832208 0.62500000000000 0.64249616875741 39.098 > 9 12 K 0.77013324832208 0.62500000000000 0.64249616875741 39.098 > 9 13 K 0.49197388472563 0.12500000000000 0.89622293281440 39.098 > 13 14 K 0.99197388472563 0.12500000000000 0.89622293281440 39.098 > 13 15 K 0.49197388472563 0.62500000000000 0.89622293281440 39.098 > 13 16 K 0.99197388472563 0.62500000000000 0.89622293281440 39.098 > 13 17 Na 0.10368828762075 0.12500000000000 0.24055567719170 22.990 > 17 18 Na 0.60368828762075 0.12500000000000 0.24055567719170 22.990 > 17 19 Na 0.10368828762075 0.62500000000000 0.24055567719170 22.990 > 17 20 Na 0.60368828762075 0.62500000000000 0.24055567719170 22.990 > 17 21 Na 0.39631171237925 0.37500000000000 0.75944432280830 22.990 > 21 22 Na 0.89631171237925 0.37500000000000 0.75944432280830 22.990 > 21 23 Na 0.39631171237925 0.87500000000000 0.75944432280830 22.990 > 21 24 Na 0.89631171237925 0.87500000000000 0.75944432280830 22.990 > 21 25 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 25 26 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 25 27 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 25 28 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 25 29 Al 0.15490631604025 0.37500000000000 0.71772551168841 26.982 > 29 30 Al 0.65490631604025 0.37500000000000 0.71772551168841 26.982 > 29 31 Al 0.15490631604025 0.87500000000000 0.71772551168841 26.982 > 29 32 Al 0.65490631604025 0.87500000000000 0.71772551168841 26.982 > 29 33 Al 0.34509368395975 0.12500000000000 0.28227448831159 26.982 > 33 34 Al 0.84509368395975 0.12500000000000 0.28227448831159 26.982 > 33 35 Al 0.34509368395975 0.62500000000000 0.28227448831159 26.982 > 33 36 Al 0.84509368395975 0.62500000000000 0.28227448831159 26.982 > 33 37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 37 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 37 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 37 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 37 41 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 41 42 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 41 43 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 41 44 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 45 49 F 0.10756131339376 0.28097261616883 0.60301605396596 18.998 > 49 50 F 0.60756131339376 0.28097261616883 0.60301605396596 18.998 > 49 51 F 0.10756131339376 0.78097261616883 0.60301605396596 18.998 > 49 52 F 0.60756131339376 0.78097261616883 0.60301605396596 18.998 > 49 53 F 0.06530829445961 0.47954705623874 0.34631936448071 18.998 > 53 54 F 0.56530829445961 0.47954705623874 0.34631936448071 18.998 > 53 55 F 0.06530829445961 0.97954705623874 0.34631936448071 18.998 > 53 56 F 0.56530829445961 0.97954705623874 0.34631936448071 18.998 > 53 57 F 0.36960048240523 0.27294756971009 0.95007569517447 18.998 > 57 58 F 0.86960048240523 0.27294756971009 0.95007569517447 18.998 > 57 59 F 0.36960048240523 0.77294756971009 0.95007569517447 18.998 > 57 60 F 0.86960048240523 0.77294756971009 0.95007569517447 18.998 > 57 61 F 0.43469170554039 0.02045294376126 0.65368063551929 18.998 > 61 62 F 0.93469170554039 0.02045294376126 0.65368063551929 18.998 > 61 63 F 0.43469170554039 0.52045294376126 0.65368063551929 18.998 > 61 64 F 0.93469170554039 0.52045294376126 0.65368063551929 18.998 > 61 65 F 0.39243868660624 0.03097261616883 0.39698394603404 18.998 > 65 66 F 0.89243868660624 0.03097261616883 0.39698394603404 18.998 > 65 67 F 0.39243868660624 0.53097261616883 0.39698394603404 18.998 > 65 68 F 0.89243868660624 0.53097261616883 0.39698394603404 18.998 > 65 69 F 0.23511950726321 0.37500000000000 0.05814235920521 18.998 > 69 70 F 0.73511950726321 0.37500000000000 0.05814235920521 18.998 > 69 71 F 0.23511950726321 0.87500000000000 0.05814235920521 18.998 > 69 72 F 0.73511950726321 0.87500000000000 0.05814235920521 18.998 > 69 73 F 0.20972496080719 0.27959305709940 0.82462072273317 18.998 > 73 74 F 0.70972496080719 0.27959305709940 0.82462072273317 18.998 > 73 75 F 0.20972496080719 0.77959305709940 0.82462072273317 18.998 > 73 76 F 0.70972496080719 0.77959305709940 0.82462072273317 18.998 > 73 77 F 0.45998763017998 0.37500000000000 0.50314473597206 18.998 > 77 78 F 0.95998763017998 0.37500000000000 0.50314473597206 18.998 > 77 79 F 0.45998763017998 0.87500000000000 0.50314473597206 18.998 > 77 80 F 0.95998763017998 0.87500000000000 0.50314473597206 18.998 > 77 81 F 0.13039951759477 0.02294756971009 0.04992430482552 18.998 > 81 82 F 0.63039951759477 0.02294756971009 0.04992430482552 18.998 > 81 83 F 0.13039951759477 0.52294756971009 0.04992430482552 18.998 > 81 84 F 0.63039951759477 0.52294756971009 0.04992430482552 18.998 > 81 85 F 0.26197930494262 0.37500000000000 0.62055992150856 18.998 > 85 86 F 0.76197930494262 0.37500000000000 0.62055992150856 18.998 > 85 87 F 0.26197930494262 0.87500000000000 0.62055992150856 18.998 > 85 88 F 0.76197930494262 0.87500000000000 0.62055992150856 18.998 > 85 89 F 0.36960048240523 0.47705243028991 0.95007569517447 18.998 > 89 90 F 0.86960048240523 0.47705243028991 0.95007569517447 18.998 > 89 91 F 0.36960048240523 0.97705243028991 0.95007569517447 18.998 > 89 92 F 0.86960048240523 0.97705243028991 0.95007569517447 18.998 > 89 93 F 0.29027503919281 0.22040694290060 0.17537927726683 18.998 > 93 94 F 0.79027503919281 0.22040694290060 0.17537927726683 18.998 > 93 95 F 0.29027503919281 0.72040694290060 0.17537927726683 18.998 > 93 96 F 0.79027503919281 0.72040694290060 0.17537927726683 18.998 > 93 97 F 0.29027503919281 0.02959305709940 0.17537927726683 18.998 > 97 98 F 0.79027503919281 0.02959305709940 0.17537927726683 18.998 > 97 99 F 0.29027503919281 0.52959305709940 0.17537927726683 18.998 > 97 100 F 0.79027503919281 0.52959305709940 0.17537927726683 18.998 > 97 101 F 0.26488049273679 0.12500000000000 0.94185764079479 18.998 > 101 102 F 0.76488049273679 0.12500000000000 0.94185764079479 18.998 > 101 103 F 0.26488049273679 0.62500000000000 0.94185764079479 18.998 > 101 104 F 0.76488049273679 0.62500000000000 0.94185764079479 18.998 > 101 105 F 0.10756131339376 0.46902738383117 0.60301605396596 18.998 > 105 106 F 0.60756131339376 0.46902738383117 0.60301605396596 18.998 > 105 107 F 0.10756131339376 0.96902738383117 0.60301605396596 18.998 > 105 108 F 0.60756131339376 0.96902738383117 0.60301605396596 18.998 > 105 109 F 0.05250489763180 0.37500000000000 0.82135264907316 18.998 > 109 110 F 0.55250489763180 0.37500000000000 0.82135264907316 18.998 > 109 111 F 0.05250489763180 0.87500000000000 0.82135264907316 18.998 > 109 112 F 0.55250489763180 0.87500000000000 0.82135264907316 18.998 > 109 113 F 0.44749510236820 0.12500000000000 0.17864735092684 18.998 > 113 114 F 0.94749510236820 0.12500000000000 0.17864735092684 18.998 > 113 115 F 0.44749510236820 0.62500000000000 0.17864735092684 18.998 > 113 116 F 0.94749510236820 0.62500000000000 0.17864735092684 18.998 > 113 117 F 0.06530829445961 0.27045294376126 0.34631936448071 18.998 > 117 118 F 0.56530829445961 0.27045294376126 0.34631936448071 18.998 > 117 119 F 0.06530829445961 0.77045294376126 0.34631936448071 18.998 > 117 120 F 0.56530829445961 0.77045294376126 0.34631936448071 18.998 > 117 121 F 0.23802069505738 0.12500000000000 0.37944007849144 18.998 > 121 122 F 0.73802069505738 0.12500000000000 0.37944007849144 18.998 > 121 123 F 0.23802069505738 0.62500000000000 0.37944007849144 18.998 > 121 124 F 0.73802069505738 0.62500000000000 0.37944007849144 18.998 > 121 125 F 0.43469170554039 0.22954705623874 0.65368063551929 18.998 > 125 126 F 0.93469170554039 0.22954705623874 0.65368063551929 18.998 > 125 127 F 0.43469170554039 0.72954705623874 0.65368063551929 18.998 > 125 128 F 0.93469170554039 0.72954705623874 0.65368063551929 18.998 > 125 129 F 0.39243868660624 0.21902738383117 0.39698394603404 18.998 > 129 130 F 0.89243868660624 0.21902738383117 0.39698394603404 18.998 > 129 131 F 0.39243868660624 0.71902738383117 0.39698394603404 18.998 > 129 132 F 0.89243868660624 0.71902738383117 0.39698394603404 18.998 > 129 133 F 0.20972496080719 0.47040694290060 0.82462072273317 18.998 > 133 134 F 0.70972496080719 0.47040694290060 0.82462072273317 18.998 > 133 135 F 0.20972496080719 0.97040694290060 0.82462072273317 18.998 > 133 136 F 0.70972496080719 0.97040694290060 0.82462072273317 18.998 > 133 137 F 0.04001236982002 0.12500000000000 0.49685526402794 18.998 > 137 138 F 0.54001236982002 0.12500000000000 0.49685526402794 18.998 > 137 139 F 0.04001236982002 0.62500000000000 0.49685526402794 18.998 > 137 140 F 0.54001236982002 0.62500000000000 0.49685526402794 18.998 > 137 141 F 0.13039951759477 0.22705243028991 0.04992430482552 18.998 > 141 142 F 0.63039951759477 0.22705243028991 0.04992430482552 18.998 > 141 143 F 0.13039951759477 0.72705243028991 0.04992430482552 18.998 > 141 144 F 0.63039951759477 0.72705243028991 0.04992430482552 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9250494 0.0000000 0.0134103 0.0000000 1.9419378 0.0000000 0.0134109 0.0000000 1.9430039 -------------------------- Born effective charges -------------------------- 1 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 2 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 3 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 4 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 5 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 6 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 7 Al 2.6339877 0.0365988 0.0763523 0.1134651 2.9640158 0.1253379 0.0573428 0.1222117 2.7787364 8 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 9 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 10 Al 2.7041513 0.1410193 0.0368427 0.1361849 2.9890965 0.1344345 0.1127647 0.1212647 2.6883173 11 Al 2.6339877 -0.0365988 0.0763523 -0.1134651 2.9640158 -0.1253379 0.0573428 -0.1222117 2.7787364 12 Al 2.7041513 -0.1410193 0.0368427 -0.1361849 2.9890965 -0.1344345 0.1127647 -0.1212647 2.6883173 13 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 14 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 15 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 16 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 17 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 18 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 19 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 20 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 21 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 22 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 23 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 24 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 25 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 26 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 27 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 28 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 29 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 30 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 31 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 32 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 33 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 34 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 35 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 36 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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[ 29, 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[ 37, 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, 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[ 73, 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[ 77, 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[ 85, 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[ 109, 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: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:37:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:37:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.968210971009125 0.000000000000000 0.000000000000000 b 0.000000000000000 7.001096150000000 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): 1 K 0.45973350335585 0.75000000000000 0.35750383124259 39.098 2 K 0.01605223054875 0.75000000000000 0.10377706718560 39.098 3 K 0.54026649664416 0.25000000000000 0.64249616875741 39.098 4 K 0.98394776945125 0.25000000000000 0.89622293281440 39.098 5 Na 0.20737657524150 0.25000000000000 0.24055567719170 22.990 6 Na 0.79262342475850 0.75000000000000 0.75944432280830 22.990 7 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.30981263208049 0.75000000000000 0.71772551168841 26.982 9 Al 0.69018736791951 0.25000000000000 0.28227448831159 26.982 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 13 F 0.21512262678752 0.56194523233765 0.60301605396596 18.998 14 F 0.13061658891922 0.95909411247748 0.34631936448071 18.998 15 F 0.73920096481047 0.54589513942018 0.95007569517447 18.998 16 F 0.86938341108078 0.04090588752252 0.65368063551929 18.998 17 F 0.78487737321248 0.06194523233765 0.39698394603404 18.998 18 F 0.47023901452641 0.75000000000000 0.05814235920521 18.998 19 F 0.41944992161438 0.55918611419880 0.82462072273317 18.998 20 F 0.91997526035995 0.75000000000000 0.50314473597206 18.998 21 F 0.26079903518953 0.04589513942018 0.04992430482552 18.998 22 F 0.52395860988523 0.75000000000000 0.62055992150856 18.998 23 F 0.73920096481047 0.95410486057982 0.95007569517447 18.998 24 F 0.58055007838562 0.44081388580120 0.17537927726683 18.998 25 F 0.58055007838562 0.05918611419880 0.17537927726683 18.998 26 F 0.52976098547359 0.25000000000000 0.94185764079479 18.998 27 F 0.21512262678752 0.93805476766235 0.60301605396596 18.998 28 F 0.10500979526361 0.75000000000000 0.82135264907316 18.998 29 F 0.89499020473640 0.25000000000000 0.17864735092684 18.998 30 F 0.13061658891922 0.54090588752252 0.34631936448071 18.998 31 F 0.47604139011477 0.25000000000000 0.37944007849144 18.998 32 F 0.86938341108078 0.45909411247748 0.65368063551929 18.998 33 F 0.78487737321248 0.43805476766235 0.39698394603404 18.998 34 F 0.41944992161438 0.94081388580120 0.82462072273317 18.998 35 F 0.08002473964005 0.25000000000000 0.49685526402794 18.998 36 F 0.26079903518953 0.45410486057982 0.04992430482552 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.936421942018249 0.000000000000000 0.000000000000000 b 0.000000000000000 14.002192300000001 0.000000000000000 c -0.024471865240324 0.000000000000000 9.681386547881754 Atomic positions (fractional): 1 K 0.22986675167792 0.37500000000000 0.35750383124259 39.098 > 1 2 K 0.72986675167792 0.37500000000000 0.35750383124259 39.098 > 1 3 K 0.22986675167792 0.87500000000000 0.35750383124259 39.098 > 1 4 K 0.72986675167792 0.87500000000000 0.35750383124259 39.098 > 1 5 K 0.00802611527437 0.37500000000000 0.10377706718560 39.098 > 5 6 K 0.50802611527437 0.37500000000000 0.10377706718560 39.098 > 5 7 K 0.00802611527437 0.87500000000000 0.10377706718560 39.098 > 5 8 K 0.50802611527437 0.87500000000000 0.10377706718560 39.098 > 5 9 K 0.27013324832208 0.12500000000000 0.64249616875741 39.098 > 9 10 K 0.77013324832208 0.12500000000000 0.64249616875741 39.098 > 9 11 K 0.27013324832208 0.62500000000000 0.64249616875741 39.098 > 9 12 K 0.77013324832208 0.62500000000000 0.64249616875741 39.098 > 9 13 K 0.49197388472563 0.12500000000000 0.89622293281440 39.098 > 13 14 K 0.99197388472563 0.12500000000000 0.89622293281440 39.098 > 13 15 K 0.49197388472563 0.62500000000000 0.89622293281440 39.098 > 13 16 K 0.99197388472563 0.62500000000000 0.89622293281440 39.098 > 13 17 Na 0.10368828762075 0.12500000000000 0.24055567719170 22.990 > 17 18 Na 0.60368828762075 0.12500000000000 0.24055567719170 22.990 > 17 19 Na 0.10368828762075 0.62500000000000 0.24055567719170 22.990 > 17 20 Na 0.60368828762075 0.62500000000000 0.24055567719170 22.990 > 17 21 Na 0.39631171237925 0.37500000000000 0.75944432280830 22.990 > 21 22 Na 0.89631171237925 0.37500000000000 0.75944432280830 22.990 > 21 23 Na 0.39631171237925 0.87500000000000 0.75944432280830 22.990 > 21 24 Na 0.89631171237925 0.87500000000000 0.75944432280830 22.990 > 21 25 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 25 26 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 25 27 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 25 28 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 25 29 Al 0.15490631604025 0.37500000000000 0.71772551168841 26.982 > 29 30 Al 0.65490631604025 0.37500000000000 0.71772551168841 26.982 > 29 31 Al 0.15490631604025 0.87500000000000 0.71772551168841 26.982 > 29 32 Al 0.65490631604025 0.87500000000000 0.71772551168841 26.982 > 29 33 Al 0.34509368395975 0.12500000000000 0.28227448831159 26.982 > 33 34 Al 0.84509368395975 0.12500000000000 0.28227448831159 26.982 > 33 35 Al 0.34509368395975 0.62500000000000 0.28227448831159 26.982 > 33 36 Al 0.84509368395975 0.62500000000000 0.28227448831159 26.982 > 33 37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 37 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 37 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 37 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 37 41 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 41 42 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 41 43 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 41 44 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 45 49 F 0.10756131339376 0.28097261616883 0.60301605396596 18.998 > 49 50 F 0.60756131339376 0.28097261616883 0.60301605396596 18.998 > 49 51 F 0.10756131339376 0.78097261616883 0.60301605396596 18.998 > 49 52 F 0.60756131339376 0.78097261616883 0.60301605396596 18.998 > 49 53 F 0.06530829445961 0.47954705623874 0.34631936448071 18.998 > 53 54 F 0.56530829445961 0.47954705623874 0.34631936448071 18.998 > 53 55 F 0.06530829445961 0.97954705623874 0.34631936448071 18.998 > 53 56 F 0.56530829445961 0.97954705623874 0.34631936448071 18.998 > 53 57 F 0.36960048240523 0.27294756971009 0.95007569517447 18.998 > 57 58 F 0.86960048240523 0.27294756971009 0.95007569517447 18.998 > 57 59 F 0.36960048240523 0.77294756971009 0.95007569517447 18.998 > 57 60 F 0.86960048240523 0.77294756971009 0.95007569517447 18.998 > 57 61 F 0.43469170554039 0.02045294376126 0.65368063551929 18.998 > 61 62 F 0.93469170554039 0.02045294376126 0.65368063551929 18.998 > 61 63 F 0.43469170554039 0.52045294376126 0.65368063551929 18.998 > 61 64 F 0.93469170554039 0.52045294376126 0.65368063551929 18.998 > 61 65 F 0.39243868660624 0.03097261616883 0.39698394603404 18.998 > 65 66 F 0.89243868660624 0.03097261616883 0.39698394603404 18.998 > 65 67 F 0.39243868660624 0.53097261616883 0.39698394603404 18.998 > 65 68 F 0.89243868660624 0.53097261616883 0.39698394603404 18.998 > 65 69 F 0.23511950726321 0.37500000000000 0.05814235920521 18.998 > 69 70 F 0.73511950726321 0.37500000000000 0.05814235920521 18.998 > 69 71 F 0.23511950726321 0.87500000000000 0.05814235920521 18.998 > 69 72 F 0.73511950726321 0.87500000000000 0.05814235920521 18.998 > 69 73 F 0.20972496080719 0.27959305709940 0.82462072273317 18.998 > 73 74 F 0.70972496080719 0.27959305709940 0.82462072273317 18.998 > 73 75 F 0.20972496080719 0.77959305709940 0.82462072273317 18.998 > 73 76 F 0.70972496080719 0.77959305709940 0.82462072273317 18.998 > 73 77 F 0.45998763017998 0.37500000000000 0.50314473597206 18.998 > 77 78 F 0.95998763017998 0.37500000000000 0.50314473597206 18.998 > 77 79 F 0.45998763017998 0.87500000000000 0.50314473597206 18.998 > 77 80 F 0.95998763017998 0.87500000000000 0.50314473597206 18.998 > 77 81 F 0.13039951759477 0.02294756971009 0.04992430482552 18.998 > 81 82 F 0.63039951759477 0.02294756971009 0.04992430482552 18.998 > 81 83 F 0.13039951759477 0.52294756971009 0.04992430482552 18.998 > 81 84 F 0.63039951759477 0.52294756971009 0.04992430482552 18.998 > 81 85 F 0.26197930494262 0.37500000000000 0.62055992150856 18.998 > 85 86 F 0.76197930494262 0.37500000000000 0.62055992150856 18.998 > 85 87 F 0.26197930494262 0.87500000000000 0.62055992150856 18.998 > 85 88 F 0.76197930494262 0.87500000000000 0.62055992150856 18.998 > 85 89 F 0.36960048240523 0.47705243028991 0.95007569517447 18.998 > 89 90 F 0.86960048240523 0.47705243028991 0.95007569517447 18.998 > 89 91 F 0.36960048240523 0.97705243028991 0.95007569517447 18.998 > 89 92 F 0.86960048240523 0.97705243028991 0.95007569517447 18.998 > 89 93 F 0.29027503919281 0.22040694290060 0.17537927726683 18.998 > 93 94 F 0.79027503919281 0.22040694290060 0.17537927726683 18.998 > 93 95 F 0.29027503919281 0.72040694290060 0.17537927726683 18.998 > 93 96 F 0.79027503919281 0.72040694290060 0.17537927726683 18.998 > 93 97 F 0.29027503919281 0.02959305709940 0.17537927726683 18.998 > 97 98 F 0.79027503919281 0.02959305709940 0.17537927726683 18.998 > 97 99 F 0.29027503919281 0.52959305709940 0.17537927726683 18.998 > 97 100 F 0.79027503919281 0.52959305709940 0.17537927726683 18.998 > 97 101 F 0.26488049273679 0.12500000000000 0.94185764079479 18.998 > 101 102 F 0.76488049273679 0.12500000000000 0.94185764079479 18.998 > 101 103 F 0.26488049273679 0.62500000000000 0.94185764079479 18.998 > 101 104 F 0.76488049273679 0.62500000000000 0.94185764079479 18.998 > 101 105 F 0.10756131339376 0.46902738383117 0.60301605396596 18.998 > 105 106 F 0.60756131339376 0.46902738383117 0.60301605396596 18.998 > 105 107 F 0.10756131339376 0.96902738383117 0.60301605396596 18.998 > 105 108 F 0.60756131339376 0.96902738383117 0.60301605396596 18.998 > 105 109 F 0.05250489763180 0.37500000000000 0.82135264907316 18.998 > 109 110 F 0.55250489763180 0.37500000000000 0.82135264907316 18.998 > 109 111 F 0.05250489763180 0.87500000000000 0.82135264907316 18.998 > 109 112 F 0.55250489763180 0.87500000000000 0.82135264907316 18.998 > 109 113 F 0.44749510236820 0.12500000000000 0.17864735092684 18.998 > 113 114 F 0.94749510236820 0.12500000000000 0.17864735092684 18.998 > 113 115 F 0.44749510236820 0.62500000000000 0.17864735092684 18.998 > 113 116 F 0.94749510236820 0.62500000000000 0.17864735092684 18.998 > 113 117 F 0.06530829445961 0.27045294376126 0.34631936448071 18.998 > 117 118 F 0.56530829445961 0.27045294376126 0.34631936448071 18.998 > 117 119 F 0.06530829445961 0.77045294376126 0.34631936448071 18.998 > 117 120 F 0.56530829445961 0.77045294376126 0.34631936448071 18.998 > 117 121 F 0.23802069505738 0.12500000000000 0.37944007849144 18.998 > 121 122 F 0.73802069505738 0.12500000000000 0.37944007849144 18.998 > 121 123 F 0.23802069505738 0.62500000000000 0.37944007849144 18.998 > 121 124 F 0.73802069505738 0.62500000000000 0.37944007849144 18.998 > 121 125 F 0.43469170554039 0.22954705623874 0.65368063551929 18.998 > 125 126 F 0.93469170554039 0.22954705623874 0.65368063551929 18.998 > 125 127 F 0.43469170554039 0.72954705623874 0.65368063551929 18.998 > 125 128 F 0.93469170554039 0.72954705623874 0.65368063551929 18.998 > 125 129 F 0.39243868660624 0.21902738383117 0.39698394603404 18.998 > 129 130 F 0.89243868660624 0.21902738383117 0.39698394603404 18.998 > 129 131 F 0.39243868660624 0.71902738383117 0.39698394603404 18.998 > 129 132 F 0.89243868660624 0.71902738383117 0.39698394603404 18.998 > 129 133 F 0.20972496080719 0.47040694290060 0.82462072273317 18.998 > 133 134 F 0.70972496080719 0.47040694290060 0.82462072273317 18.998 > 133 135 F 0.20972496080719 0.97040694290060 0.82462072273317 18.998 > 133 136 F 0.70972496080719 0.97040694290060 0.82462072273317 18.998 > 133 137 F 0.04001236982002 0.12500000000000 0.49685526402794 18.998 > 137 138 F 0.54001236982002 0.12500000000000 0.49685526402794 18.998 > 137 139 F 0.04001236982002 0.62500000000000 0.49685526402794 18.998 > 137 140 F 0.54001236982002 0.62500000000000 0.49685526402794 18.998 > 137 141 F 0.13039951759477 0.22705243028991 0.04992430482552 18.998 > 141 142 F 0.63039951759477 0.22705243028991 0.04992430482552 18.998 > 141 143 F 0.13039951759477 0.72705243028991 0.04992430482552 18.998 > 141 144 F 0.63039951759477 0.72705243028991 0.04992430482552 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9250494 0.0000000 0.0134103 0.0000000 1.9419378 0.0000000 0.0134109 0.0000000 1.9430039 -------------------------- Born effective charges -------------------------- 1 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 2 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 3 K 1.1857452 0.0000000 -0.0172695 -0.0000000 1.1721181 -0.0000000 -0.0158235 -0.0000000 1.2366469 4 K 1.1912063 0.0000000 0.0379356 -0.0000000 1.1794138 -0.0000000 0.0404638 -0.0000000 1.2219101 5 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 6 Na 1.1001220 0.0000000 -0.0540975 -0.0000000 1.0287177 -0.0000000 -0.0600252 -0.0000000 1.0786563 7 Al 2.6339877 0.0365988 0.0763523 0.1134651 2.9640158 0.1253379 0.0573428 0.1222117 2.7787364 8 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 9 Al 2.7304628 0.0000000 0.2572783 -0.0000000 2.7031012 -0.0000000 0.1991008 -0.0000000 2.8961458 10 Al 2.7041513 0.1410193 0.0368427 0.1361849 2.9890965 0.1344345 0.1127647 0.1212647 2.6883173 11 Al 2.6339877 -0.0365988 0.0763523 -0.1134651 2.9640158 -0.1253379 0.0573428 -0.1222117 2.7787364 12 Al 2.7041513 -0.1410193 0.0368427 -0.1361849 2.9890965 -0.1344345 0.1127647 -0.1212647 2.6883173 13 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 14 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 15 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 16 F -0.9306427 0.0780605 0.1609900 0.0867907 -0.8985124 -0.0378990 0.1440806 -0.0294697 -1.0697679 17 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 18 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 19 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 20 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 21 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 22 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 23 F -1.1547773 0.0391470 0.0752627 0.0306767 -0.9054270 -0.0309298 0.0791981 -0.0316266 -0.8459801 24 F -0.8196288 0.1734887 -0.2313639 0.1748652 -0.9743940 0.2711109 -0.2282675 0.2734123 -1.2376500 25 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 26 F -0.7115790 0.0000000 0.0364027 -0.0000000 -1.5145668 -0.0000000 0.0319272 -0.0000000 -0.8241199 27 F -1.0592219 0.2032419 -0.3012749 0.2061026 -0.9501676 0.2425746 -0.2972306 0.2452920 -1.0004797 28 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 29 F -1.0733401 0.0000000 0.1207594 -0.0000000 -0.7598420 -0.0000000 0.1236063 -0.0000000 -1.0070193 30 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 31 F -1.0735959 0.0000000 0.0831887 -0.0000000 -0.7829209 -0.0000000 0.1107079 -0.0000000 -1.0424102 32 F -0.9306427 -0.0780605 0.1609900 -0.0867907 -0.8985124 0.0378990 0.1440806 0.0294697 -1.0697679 33 F -1.0592219 -0.2032419 -0.3012749 -0.2061026 -0.9501676 -0.2425746 -0.2972306 -0.2452920 -1.0004797 34 F -0.8196288 -0.1734887 -0.2313639 -0.1748652 -0.9743940 -0.2711109 -0.2282675 -0.2734123 -1.2376500 35 F -0.7586188 0.0000000 0.0153796 -0.0000000 -1.5221314 -0.0000000 0.0043741 -0.0000000 -0.7191079 36 F -1.1547773 -0.0391470 0.0752627 -0.0306767 -0.9054270 0.0309298 0.0791981 0.0316266 -0.8459801 ---------------------------------------------------------------------------- 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 ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 311, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.887 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 13.292 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 14.042 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.874 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.678 ( 0.000 0.000 0.000) 0.000 16.113 ( 0.000 0.000 0.000) 0.000 16.347 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 16.861 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 17.188 ( 0.000 0.000 0.000) 0.000 17.456 ( 0.000 0.000 0.000) 0.000 17.657 ( 0.000 0.000 0.000) 0.000 18.024 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.420 ( 0.000 0.000 0.000) 0.000 18.902 ( 0.000 0.000 0.000) 0.000 19.685 ( 0.000 0.000 0.000) 0.000 19.867 ( 0.000 0.000 0.000) 0.000 20.255 ( 0.000 0.000 0.000) 0.000 20.437 ( 0.000 0.000 0.000) 0.000 21.168 ( 0.000 0.000 0.000) 0.000 21.342 ( 0.000 0.000 0.000) 0.000 21.520 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 28.214 0.000 16.131) 32.500 0.666 ( 31.691 0.000 -1.878) 31.747 0.964 ( 43.861 0.000 21.042) 48.647 1.639 ( -9.998 0.000 -0.128) 9.998 1.934 ( -5.151 0.000 -1.202) 5.290 2.083 ( 4.614 0.000 -0.356) 4.628 2.120 ( 5.442 0.000 -0.583) 5.473 2.215 ( -2.328 0.000 8.209) 8.533 2.514 ( -0.801 0.000 4.851) 4.917 2.547 ( 7.914 0.000 -3.357) 8.596 2.689 ( 3.623 0.000 -0.140) 3.626 2.765 ( -7.265 0.000 0.490) 7.282 2.967 ( -7.333 0.000 -3.990) 8.348 2.992 ( -5.208 0.000 -6.011) 7.953 3.170 ( 0.710 0.000 1.774) 1.911 3.230 ( 2.278 0.000 2.516) 3.394 3.284 ( -0.653 0.000 5.131) 5.172 3.433 ( 0.718 0.000 -5.362) 5.409 3.589 ( 4.442 0.000 16.891) 17.466 3.654 ( -5.412 0.000 -4.406) 6.978 3.750 ( -0.113 0.000 -2.049) 2.052 3.899 ( -5.536 0.000 -6.233) 8.336 4.037 ( 2.420 0.000 -6.925) 7.336 4.087 ( -0.929 0.000 -4.444) 4.540 4.109 ( 2.206 0.000 3.317) 3.984 4.267 ( -4.829 0.000 -1.458) 5.044 4.492 ( 0.851 0.000 2.885) 3.008 4.640 ( 1.200 0.000 0.233) 1.222 4.734 ( 6.903 0.000 5.989) 9.139 4.772 ( -1.146 0.000 3.908) 4.073 4.998 ( 5.649 0.000 0.729) 5.696 5.258 ( -2.254 0.000 -21.017) 21.138 5.280 ( -4.562 0.000 -5.773) 7.358 5.317 ( 7.125 0.000 -2.663) 7.607 5.673 ( -2.020 0.000 2.080) 2.900 5.838 ( -6.417 0.000 -5.460) 8.425 6.096 ( -0.011 0.000 -27.490) 27.490 6.145 ( -1.952 0.000 -5.606) 5.936 6.265 ( -1.968 0.000 -3.877) 4.348 6.311 ( 5.933 0.000 12.258) 13.618 6.333 ( 6.710 0.000 -0.395) 6.721 6.646 ( -0.699 0.000 -4.072) 4.132 6.678 ( -2.303 0.000 0.942) 2.488 6.696 ( 0.077 0.000 -1.379) 1.381 6.734 ( -0.471 0.000 0.409) 0.624 6.842 ( -1.739 0.000 0.095) 1.742 6.926 ( 0.385 0.000 -2.821) 2.847 7.125 ( -0.860 0.000 0.984) 1.307 7.155 ( -4.743 0.000 0.982) 4.844 7.304 ( 0.314 0.000 -0.487) 0.580 7.384 ( -0.182 0.000 -1.668) 1.678 7.460 ( 4.019 0.000 2.969) 4.997 7.693 ( -7.902 0.000 -2.351) 8.244 7.899 ( -2.761 0.000 0.015) 2.761 7.986 ( 2.642 0.000 -3.004) 4.000 8.040 ( 0.815 0.000 -1.423) 1.640 8.846 ( 4.892 0.000 6.984) 8.527 8.983 ( 0.411 0.000 0.276) 0.495 9.164 ( 0.869 0.000 0.315) 0.924 9.187 ( -2.775 0.000 0.446) 2.811 9.321 ( 2.820 0.000 5.085) 5.815 9.472 ( 6.295 0.000 10.169) 11.959 9.509 ( 6.925 0.000 8.430) 10.910 9.801 ( -2.472 0.000 -3.279) 4.106 10.154 ( -2.315 0.000 -4.297) 4.880 10.214 ( 1.800 0.000 3.131) 3.612 10.328 ( 0.201 0.000 -1.427) 1.441 10.370 ( -0.198 0.000 14.906) 14.908 10.532 ( -2.352 0.000 16.373) 16.541 10.695 ( -0.664 0.000 38.590) 38.595 10.745 ( 1.098 0.000 13.657) 13.701 10.828 ( -0.312 0.000 2.143) 2.165 10.868 ( 4.499 0.000 5.265) 6.925 11.398 ( -6.665 0.000 1.145) 6.762 11.624 ( 3.475 0.000 6.590) 7.450 11.819 ( -22.508 0.000 -29.218) 36.882 11.957 ( -1.095 0.000 -0.123) 1.102 12.224 ( -22.154 0.000 -23.923) 32.605 12.797 ( 5.192 0.000 1.701) 5.463 12.919 ( 3.065 0.000 4.567) 5.500 13.184 ( 1.088 0.000 4.372) 4.505 13.361 ( 3.820 0.000 8.003) 8.868 13.371 ( -0.062 0.000 -0.404) 0.409 13.724 ( 0.491 0.000 5.391) 5.413 14.173 ( 10.712 0.000 13.292) 17.072 14.696 ( 13.230 0.000 -0.124) 13.231 14.830 ( -1.659 0.000 -0.736) 1.815 15.565 ( -9.965 0.000 -10.393) 14.398 15.709 ( 10.480 0.000 13.346) 16.969 16.063 ( -3.950 0.000 -5.686) 6.924 16.438 ( -4.832 0.000 -6.403) 8.022 16.616 ( -5.715 0.000 3.042) 6.474 16.844 ( -1.972 0.000 -3.415) 3.944 17.139 ( -2.425 0.000 -0.043) 2.425 17.413 ( 5.228 0.000 67.804) 68.006 17.441 ( -1.690 0.000 -2.660) 3.151 17.604 ( -4.005 0.000 -5.563) 6.854 18.109 ( 7.184 0.000 9.748) 12.109 18.197 ( 7.938 0.000 12.723) 14.996 18.413 ( 1.834 0.000 4.892) 5.225 18.870 ( -3.062 0.000 -3.302) 4.503 19.700 ( -2.075 0.000 -13.459) 13.618 19.891 ( 2.214 0.000 -1.807) 2.858 20.253 ( -0.215 0.000 1.564) 1.579 20.770 ( -2.964 0.000 -3.965) 4.950 21.038 ( -16.085 0.000 1.472) 16.153 21.794 ( 15.480 0.000 10.722) 18.830 22.875 ( -0.894 0.000 -68.799) 68.804 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 18.727 0.000 13.374) 23.012 1.277 ( 27.132 0.000 -6.209) 27.833 1.413 ( -8.652 0.000 0.560) 8.671 1.700 ( 24.346 0.000 20.264) 31.676 1.822 ( -3.830 0.000 -2.594) 4.626 2.205 ( 6.541 0.000 0.283) 6.547 2.244 ( 3.917 0.000 2.175) 4.480 2.276 ( 10.250 0.000 8.434) 13.274 2.466 ( -5.161 0.000 4.860) 7.089 2.567 ( -5.385 0.000 -2.473) 5.925 2.735 ( 5.476 0.000 -2.308) 5.943 2.742 ( 0.442 0.000 1.924) 1.974 2.852 ( -6.127 0.000 -0.093) 6.128 2.854 ( -2.298 0.000 -3.628) 4.294 3.185 ( -5.825 0.000 -3.423) 6.756 3.210 ( 1.407 0.000 -1.829) 2.307 3.295 ( 1.891 0.000 7.085) 7.333 3.450 ( 1.085 0.000 -2.070) 2.337 3.576 ( -3.020 0.000 -2.628) 4.003 3.632 ( -1.664 0.000 7.259) 7.448 3.736 ( -1.882 0.000 -4.405) 4.791 3.785 ( -3.951 0.000 -5.608) 6.860 3.964 ( -7.455 0.000 -7.665) 10.693 4.078 ( 0.753 0.000 -8.826) 8.858 4.122 ( -0.805 0.000 3.157) 3.257 4.289 ( 5.324 0.000 9.864) 11.209 4.523 ( 1.946 0.000 3.649) 4.135 4.648 ( -1.001 0.000 -2.834) 3.005 4.761 ( 0.067 0.000 3.004) 3.005 4.844 ( 5.525 0.000 2.039) 5.890 5.149 ( 1.972 0.000 -2.763) 3.395 5.178 ( -4.600 0.000 -5.761) 7.373 5.258 ( 6.981 0.000 -6.285) 9.393 5.477 ( 7.556 0.000 -3.430) 8.298 5.619 ( -3.034 0.000 1.794) 3.525 5.741 ( -2.960 0.000 -0.328) 2.979 6.028 ( -7.767 0.000 -14.428) 16.386 6.081 ( -3.856 0.000 -3.744) 5.375 6.177 ( -2.051 0.000 -5.938) 6.282 6.432 ( 1.434 0.000 2.065) 2.514 6.458 ( 7.443 0.000 13.463) 15.384 6.624 ( -1.371 0.000 -1.962) 2.393 6.687 ( -1.132 0.000 -2.004) 2.302 6.714 ( 4.540 0.000 1.872) 4.911 6.727 ( 0.340 0.000 -1.275) 1.320 6.823 ( -0.757 0.000 -1.104) 1.339 6.920 ( -0.748 0.000 -2.097) 2.226 7.118 ( 0.996 0.000 5.941) 6.024 7.120 ( 0.798 0.000 4.061) 4.138 7.295 ( -1.505 0.000 -3.609) 3.910 7.375 ( -0.608 0.000 -2.169) 2.253 7.475 ( -10.510 0.000 -6.751) 12.491 7.554 ( 4.217 0.000 3.778) 5.662 7.814 ( -4.199 0.000 -0.890) 4.292 7.950 ( -3.283 0.000 -4.163) 5.302 8.138 ( 4.015 0.000 0.877) 4.110 8.945 ( 3.826 0.000 2.508) 4.575 8.991 ( 0.395 0.000 0.225) 0.454 9.142 ( -1.167 0.000 1.270) 1.724 9.168 ( -0.282 0.000 -1.426) 1.454 9.396 ( 3.896 0.000 6.636) 7.695 9.664 ( 7.179 0.000 9.948) 12.268 9.676 ( 8.735 0.000 11.029) 14.070 9.770 ( 4.975 0.000 8.899) 10.195 10.094 ( -3.309 0.000 -7.337) 8.049 10.255 ( 1.880 0.000 4.113) 4.522 10.333 ( 0.228 0.000 -2.433) 2.444 10.359 ( -1.009 0.000 5.495) 5.587 10.478 ( -2.325 0.000 1.572) 2.807 10.706 ( 1.127 0.000 14.087) 14.132 10.775 ( 0.864 0.000 12.997) 13.025 10.831 ( 1.892 0.000 9.197) 9.389 10.957 ( 3.833 0.000 5.337) 6.571 11.264 ( -6.033 0.000 -2.391) 6.490 11.283 ( -28.016 0.000 -37.365) 46.702 11.665 ( -2.977 0.000 -8.121) 8.649 11.731 ( -19.248 0.000 -17.279) 25.866 11.939 ( -1.148 0.000 -1.186) 1.650 12.877 ( 3.066 0.000 -3.859) 4.928 13.015 ( 4.598 0.000 8.961) 10.071 13.182 ( -0.009 0.000 6.352) 6.352 13.374 ( 0.409 0.000 0.590) 0.717 13.451 ( 4.490 0.000 5.305) 6.950 13.691 ( -4.539 0.000 -4.487) 6.383 14.422 ( 12.919 0.000 16.116) 20.655 14.897 ( 8.762 0.000 15.474) 17.782 15.009 ( 14.784 0.000 10.737) 18.271 15.324 ( -11.540 0.000 -14.614) 18.621 15.760 ( -8.689 0.000 -14.133) 16.591 16.116 ( 11.177 0.000 15.730) 19.296 16.171 ( -17.515 0.000 -26.331) 31.624 16.598 ( 1.364 0.000 2.837) 3.148 16.792 ( -3.092 0.000 -5.204) 6.053 17.080 ( -2.872 0.000 1.621) 3.298 17.376 ( -4.475 0.000 -6.609) 7.982 17.536 ( -2.101 0.000 -2.972) 3.640 17.575 ( 9.660 0.000 36.136) 37.405 18.182 ( -6.830 0.000 -11.364) 13.259 18.282 ( 9.098 0.000 12.128) 15.161 18.645 ( 17.171 0.000 28.219) 33.033 18.780 ( -5.614 0.000 -6.468) 8.564 19.614 ( -6.858 0.000 -20.424) 21.544 19.944 ( 2.584 0.000 -2.518) 3.608 20.248 ( -0.202 0.000 2.236) 2.245 20.649 ( -8.456 0.000 -2.705) 8.878 20.802 ( -5.968 0.000 4.997) 7.784 22.072 ( 11.030 0.000 11.243) 15.750 22.845 ( -1.580 0.000 -31.235) 31.275 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -4.780 0.000 1.366) 4.971 1.449 ( 2.190 0.000 2.421) 3.265 1.735 ( 16.088 0.000 -12.310) 20.257 1.920 ( 14.225 0.000 3.626) 14.680 1.929 ( 0.488 0.000 16.729) 16.736 2.239 ( -11.614 0.000 -2.249) 11.830 2.301 ( 1.791 0.000 2.714) 3.251 2.348 ( 1.373 0.000 1.204) 1.826 2.386 ( -0.909 0.000 -0.925) 1.297 2.594 ( 2.750 0.000 4.042) 4.889 2.718 ( -1.418 0.000 0.913) 1.686 2.730 ( -0.405 0.000 -0.564) 0.694 2.859 ( 0.890 0.000 -1.317) 1.589 2.935 ( 10.585 0.000 6.159) 12.247 3.080 ( -2.825 0.000 -1.536) 3.216 3.185 ( -5.111 0.000 -7.405) 8.998 3.356 ( 3.906 0.000 7.064) 8.072 3.454 ( -3.144 0.000 -4.033) 5.113 3.493 ( -3.540 0.000 -3.007) 4.645 3.562 ( -0.048 0.000 -4.190) 4.191 3.666 ( -4.089 0.000 1.726) 4.438 3.768 ( 0.834 0.000 -0.317) 0.892 3.873 ( -1.842 0.000 -3.088) 3.596 4.074 ( -0.560 0.000 -3.503) 3.547 4.095 ( -1.189 0.000 1.274) 1.742 4.408 ( 4.884 0.000 8.326) 9.652 4.558 ( 1.047 0.000 1.474) 1.808 4.595 ( -3.297 0.000 -5.276) 6.221 4.766 ( 0.219 0.000 0.995) 1.019 4.991 ( 7.690 0.000 7.917) 11.037 5.110 ( -3.652 0.000 -9.462) 10.142 5.110 ( -1.760 0.000 -2.353) 2.938 5.413 ( 5.025 0.000 -2.149) 5.465 5.554 ( -3.284 0.000 1.445) 3.588 5.597 ( 3.455 0.000 -1.637) 3.823 5.720 ( 0.733 0.000 4.448) 4.508 5.830 ( -7.987 0.000 -8.156) 11.416 6.010 ( -2.334 0.000 -1.085) 2.574 6.237 ( 5.158 0.000 -1.450) 5.358 6.454 ( 1.672 0.000 3.017) 3.449 6.586 ( 4.274 0.000 9.247) 10.187 6.588 ( -2.733 0.000 -0.555) 2.789 6.660 ( -1.393 0.000 -4.311) 4.530 6.731 ( -2.313 0.000 -1.994) 3.054 6.749 ( 1.688 0.000 1.086) 2.007 6.794 ( -2.032 0.000 -2.980) 3.607 6.905 ( -0.449 0.000 -0.602) 0.751 7.164 ( 3.282 0.000 6.985) 7.717 7.175 ( 4.083 0.000 8.185) 9.147 7.241 ( -3.514 0.000 -6.829) 7.680 7.284 ( -6.922 0.000 -9.003) 11.357 7.364 ( -0.341 0.000 -0.847) 0.913 7.669 ( 4.444 0.000 2.664) 5.181 7.761 ( 0.131 0.000 1.336) 1.343 7.888 ( -2.591 0.000 -3.249) 4.156 8.152 ( -1.527 0.000 -0.432) 1.587 8.998 ( 0.184 0.000 0.103) 0.211 9.003 ( 1.955 0.000 1.430) 2.422 9.130 ( -0.441 0.000 0.124) 0.458 9.161 ( -0.219 0.000 -0.664) 0.699 9.467 ( 2.470 0.000 4.038) 4.734 9.645 ( -2.299 0.000 -3.697) 4.353 9.841 ( 6.258 0.000 9.154) 11.089 10.020 ( -3.638 0.000 -7.865) 8.666 10.114 ( 20.625 0.000 30.089) 36.479 10.284 ( 0.774 0.000 2.315) 2.441 10.336 ( 0.206 0.000 -1.539) 1.553 10.339 ( -0.573 0.000 1.599) 1.698 10.446 ( -0.859 0.000 0.331) 0.920 10.717 ( -25.184 0.000 -34.616) 42.808 10.730 ( 1.030 0.000 3.072) 3.240 10.764 ( -1.067 0.000 1.904) 2.183 10.938 ( 7.478 0.000 18.698) 20.138 11.018 ( 1.804 0.000 4.027) 4.413 11.155 ( -5.099 0.000 -3.958) 6.455 11.309 ( -13.184 0.000 -22.686) 26.239 11.698 ( 0.309 0.000 1.489) 1.520 11.924 ( -0.328 0.000 -0.274) 0.427 12.943 ( 3.508 0.000 -5.235) 6.302 13.019 ( -3.216 0.000 5.887) 6.708 13.264 ( 6.119 0.000 9.276) 11.113 13.385 ( 0.450 0.000 0.478) 0.656 13.523 ( 2.021 0.000 1.609) 2.583 13.558 ( -6.587 0.000 -9.097) 11.231 14.696 ( 13.687 0.000 16.371) 21.339 14.980 ( -13.369 0.000 -14.650) 19.833 15.157 ( 15.078 0.000 24.116) 28.441 15.410 ( 15.752 0.000 18.896) 24.600 15.495 ( -15.072 0.000 -23.363) 27.803 15.798 ( -17.669 0.000 -26.455) 31.813 16.346 ( 8.151 0.000 11.581) 14.162 16.622 ( 0.651 0.000 0.473) 0.805 16.721 ( -3.214 0.000 -5.059) 5.993 17.038 ( -1.043 0.000 0.615) 1.211 17.290 ( -2.799 0.000 -4.059) 4.930 17.512 ( -0.439 0.000 -0.643) 0.779 17.788 ( 10.567 0.000 25.970) 28.037 18.003 ( -9.873 0.000 -18.864) 21.291 18.468 ( 8.627 0.000 11.137) 14.088 18.645 ( -7.345 0.000 -9.019) 11.631 19.003 ( 15.632 0.000 24.998) 29.483 19.410 ( -11.769 0.000 -22.245) 25.166 19.984 ( 1.079 0.000 -1.241) 1.644 20.246 ( -0.053 0.000 1.122) 1.124 20.520 ( -3.146 0.000 -0.304) 3.161 20.732 ( -1.655 0.000 2.062) 2.644 22.231 ( 4.151 0.000 5.478) 6.873 22.815 ( -0.928 0.000 -10.799) 10.839 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 24.470 0.000) 24.470 0.797 ( 0.000 38.112 0.000) 38.112 1.285 ( 0.000 56.027 0.000) 56.027 1.877 ( 0.000 0.424 0.000) 0.424 2.037 ( 0.000 3.657 0.000) 3.657 2.170 ( 0.000 8.697 0.000) 8.697 2.338 ( 0.000 4.733 0.000) 4.733 2.380 ( 0.000 14.541 0.000) 14.541 2.447 ( 0.000 9.391 0.000) 9.391 2.605 ( 0.000 -3.372 0.000) 3.372 2.783 ( 0.000 -2.585 0.000) 2.585 2.937 ( 0.000 0.030 0.000) 0.030 2.942 ( 0.000 -2.609 0.000) 2.609 3.017 ( 0.000 -0.761 0.000) 0.761 3.136 ( 0.000 -0.982 0.000) 0.982 3.174 ( 0.000 -4.097 0.000) 4.097 3.197 ( 0.000 -7.435 0.000) 7.435 3.330 ( 0.000 3.644 0.000) 3.644 3.388 ( 0.000 -5.140 0.000) 5.140 3.726 ( 0.000 -8.316 0.000) 8.316 3.728 ( 0.000 -1.858 0.000) 1.858 3.767 ( 0.000 -5.603 0.000) 5.603 3.889 ( 0.000 -11.764 0.000) 11.764 4.001 ( 0.000 0.358 0.000) 0.358 4.209 ( 0.000 0.343 0.000) 0.343 4.222 ( 0.000 0.955 0.000) 0.955 4.480 ( 0.000 -3.394 0.000) 3.394 4.699 ( 0.000 4.460 0.000) 4.460 4.768 ( 0.000 8.579 0.000) 8.579 4.947 ( 0.000 12.003 0.000) 12.003 4.960 ( 0.000 -0.997 0.000) 0.997 5.019 ( 0.000 -5.331 0.000) 5.331 5.249 ( 0.000 0.944 0.000) 0.944 5.305 ( 0.000 -4.395 0.000) 4.395 5.645 ( 0.000 -3.671 0.000) 3.671 5.729 ( 0.000 -6.136 0.000) 6.136 5.856 ( 0.000 -15.223 0.000) 15.223 5.956 ( 0.000 -0.493 0.000) 0.493 6.239 ( 0.000 -0.745 0.000) 0.745 6.274 ( 0.000 0.920 0.000) 0.920 6.522 ( 0.000 10.342 0.000) 10.342 6.532 ( 0.000 -5.319 0.000) 5.319 6.611 ( 0.000 -0.831 0.000) 0.831 6.789 ( 0.000 3.681 0.000) 3.681 6.896 ( 0.000 6.776 0.000) 6.776 6.923 ( 0.000 1.453 0.000) 1.453 6.956 ( 0.000 5.204 0.000) 5.204 7.187 ( 0.000 -3.668 0.000) 3.668 7.243 ( 0.000 9.440 0.000) 9.440 7.319 ( 0.000 -0.194 0.000) 0.194 7.400 ( 0.000 2.556 0.000) 2.556 7.488 ( 0.000 5.062 0.000) 5.062 7.662 ( 0.000 -4.879 0.000) 4.879 7.849 ( 0.000 -1.964 0.000) 1.964 7.995 ( 0.000 1.968 0.000) 1.968 8.041 ( 0.000 -0.695 0.000) 0.695 8.623 ( 0.000 0.888 0.000) 0.888 9.158 ( 0.000 -1.808 0.000) 1.808 9.185 ( 0.000 9.215 0.000) 9.215 9.377 ( 0.000 16.122 0.000) 16.122 9.387 ( 0.000 -1.725 0.000) 1.725 9.426 ( 0.000 6.265 0.000) 6.265 9.833 ( 0.000 3.605 0.000) 3.605 9.852 ( 0.000 4.336 0.000) 4.336 10.031 ( 0.000 -7.973 0.000) 7.973 10.142 ( 0.000 -4.688 0.000) 4.688 10.209 ( 0.000 -1.176 0.000) 1.176 10.448 ( 0.000 1.562 0.000) 1.562 10.655 ( 0.000 1.316 0.000) 1.316 10.748 ( 0.000 -1.628 0.000) 1.628 10.804 ( 0.000 4.322 0.000) 4.322 10.925 ( 0.000 8.632 0.000) 8.632 11.443 ( 0.000 -2.640 0.000) 2.640 11.444 ( 0.000 -4.240 0.000) 4.240 11.673 ( 0.000 7.520 0.000) 7.520 11.839 ( 0.000 -4.618 0.000) 4.618 11.898 ( 0.000 -8.308 0.000) 8.308 12.572 ( 0.000 -18.436 0.000) 18.436 12.819 ( 0.000 20.985 0.000) 20.985 12.867 ( 0.000 -0.801 0.000) 0.801 13.133 ( 0.000 9.529 0.000) 9.529 13.372 ( 0.000 4.945 0.000) 4.945 13.389 ( 0.000 1.922 0.000) 1.922 13.753 ( 0.000 -2.028 0.000) 2.028 14.057 ( 0.000 2.217 0.000) 2.217 14.571 ( 0.000 10.054 0.000) 10.054 15.093 ( 0.000 19.090 0.000) 19.090 15.591 ( 0.000 -7.703 0.000) 7.703 15.661 ( 0.000 5.600 0.000) 5.600 15.971 ( 0.000 -34.288 0.000) 34.288 16.450 ( 0.000 -14.674 0.000) 14.674 16.598 ( 0.000 -21.631 0.000) 21.631 16.637 ( 0.000 -16.491 0.000) 16.491 16.870 ( 0.000 -18.983 0.000) 18.983 16.949 ( 0.000 -14.282 0.000) 14.282 17.399 ( 0.000 -18.290 0.000) 18.290 18.274 ( 0.000 14.263 0.000) 14.263 18.366 ( 0.000 24.516 0.000) 24.516 18.662 ( 0.000 18.149 0.000) 18.149 19.134 ( 0.000 18.352 0.000) 18.352 19.456 ( 0.000 6.320 0.000) 6.320 19.631 ( 0.000 -5.257 0.000) 5.257 20.210 ( 0.000 2.558 0.000) 2.558 20.311 ( 0.000 2.777 0.000) 2.777 20.416 ( 0.000 -2.029 0.000) 2.029 21.145 ( 0.000 -2.979 0.000) 2.979 21.302 ( 0.000 -2.859 0.000) 2.859 21.498 ( 0.000 -2.043 0.000) 2.043 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 24.482 11.808 -7.002) 28.068 0.998 ( 16.869 27.504 4.645) 32.597 1.507 ( 16.390 38.818 16.858) 45.384 1.851 ( -6.757 11.052 -1.945) 13.099 1.994 ( -0.403 5.968 -2.683) 6.556 2.116 ( -1.832 4.995 3.084) 6.150 2.255 ( -4.424 3.709 6.511) 8.702 2.318 ( 0.541 15.914 -0.699) 15.939 2.547 ( 6.095 0.410 -3.140) 6.868 2.640 ( 0.202 -2.811 -2.351) 3.670 2.702 ( 1.966 9.491 4.854) 10.840 2.835 ( -7.748 -0.058 0.893) 7.800 2.906 ( -4.128 -0.045 -2.807) 4.992 3.022 ( -7.268 2.771 -6.476) 10.121 3.107 ( 1.991 -5.388 1.446) 5.924 3.216 ( 2.098 -1.379 3.746) 4.510 3.264 ( -0.581 -2.047 4.240) 4.744 3.326 ( 0.913 -8.060 -9.653) 12.609 3.454 ( 5.464 -10.130 3.350) 11.987 3.702 ( 1.078 -3.246 2.012) 3.968 3.705 ( -5.458 0.169 -5.556) 7.790 3.763 ( 0.600 -3.906 2.555) 4.705 3.951 ( 4.631 -8.047 1.589) 9.419 4.039 ( 4.217 -1.206 1.476) 4.627 4.179 ( -2.614 2.957 -1.510) 4.225 4.232 ( 0.861 -2.558 2.390) 3.605 4.451 ( -2.663 -1.707 -1.389) 3.455 4.694 ( -3.176 6.225 -3.211) 7.691 4.785 ( 0.944 -1.172 4.548) 4.791 4.856 ( 2.045 5.775 4.462) 7.579 5.013 ( 3.168 1.709 -1.162) 3.782 5.136 ( 3.985 -1.797 -6.395) 7.746 5.265 ( -1.313 -2.490 -2.289) 3.628 5.357 ( 6.286 0.019 -7.538) 9.815 5.624 ( -1.910 -4.225 2.923) 5.481 5.718 ( -2.594 -8.262 -8.101) 11.858 5.856 ( 1.641 -11.308 -7.385) 13.605 5.988 ( 0.527 -8.504 1.431) 8.639 6.240 ( 1.332 -4.552 -1.341) 4.929 6.338 ( 4.123 2.253 5.203) 7.011 6.457 ( -3.666 9.888 2.513) 10.841 6.523 ( -1.023 -4.741 -1.808) 5.176 6.614 ( 0.930 -1.797 0.479) 2.080 6.795 ( -0.563 4.966 -0.232) 5.003 6.922 ( 1.519 7.518 1.940) 7.912 6.933 ( -2.030 6.334 -2.557) 7.126 6.981 ( 0.988 1.766 -2.468) 3.192 7.123 ( -2.391 -1.110 -0.274) 2.650 7.258 ( -0.561 8.981 1.224) 9.082 7.349 ( 2.367 -0.141 -1.523) 2.818 7.361 ( -1.934 3.113 -3.637) 5.163 7.489 ( 0.848 2.004 4.347) 4.861 7.637 ( -3.993 -3.988 -0.360) 5.655 7.857 ( -2.262 -1.815 -0.751) 2.996 7.974 ( 1.292 0.668 -2.753) 3.114 8.029 ( -0.251 -0.188 -0.528) 0.614 8.703 ( 6.585 -4.055 3.792) 8.613 9.108 ( -3.647 -1.946 -2.253) 4.708 9.194 ( 0.619 10.537 0.337) 10.560 9.352 ( -0.859 6.339 -3.410) 7.249 9.453 ( 3.739 7.179 7.892) 11.305 9.492 ( 6.715 -0.590 8.153) 10.579 9.729 ( -4.447 14.100 -4.711) 15.517 9.849 ( -0.817 7.163 -0.361) 7.218 10.079 ( 1.228 -7.883 0.653) 8.005 10.172 ( 1.181 -2.427 1.189) 2.949 10.196 ( 0.747 -3.968 2.765) 4.894 10.449 ( -0.254 2.274 -0.336) 2.313 10.579 ( -4.717 1.194 -4.435) 6.584 10.780 ( 1.406 1.896 2.245) 3.257 10.853 ( 3.985 1.324 1.483) 4.453 10.931 ( 0.456 9.679 2.430) 9.990 11.170 ( -17.118 25.836 35.873) 47.407 11.351 ( -6.698 -3.908 -3.950) 8.703 11.523 ( -15.914 -10.792 -20.549) 28.142 11.652 ( -5.706 -1.996 1.657) 6.268 11.899 ( 0.201 -4.348 -0.393) 4.370 12.588 ( -18.751 23.168 -22.441) 37.309 12.772 ( 12.339 -7.925 13.410) 19.872 12.926 ( 4.022 -0.367 4.353) 5.938 13.176 ( 4.063 6.456 6.049) 9.736 13.347 ( -1.876 2.375 2.733) 4.078 13.372 ( -1.296 0.635 -2.071) 2.525 13.723 ( -1.247 -1.664 -1.135) 2.369 14.128 ( 5.795 -2.828 8.657) 10.794 14.741 ( 8.702 5.551 -2.731) 10.677 15.104 ( 6.237 22.219 6.540) 23.986 15.401 ( -14.456 -9.224 2.642) 17.350 15.767 ( 6.948 2.389 8.845) 11.498 16.004 ( -2.441 -35.783 -0.946) 35.879 16.147 ( -10.672 -3.607 -15.278) 18.982 16.535 ( -3.449 -26.034 -5.680) 26.869 16.693 ( 0.535 -10.978 0.177) 10.993 16.812 ( -4.697 -13.476 -0.911) 14.301 17.008 ( 0.951 -20.057 3.404) 20.366 17.422 ( 0.370 -12.162 0.675) 12.187 18.141 ( -18.646 29.053 29.827) 45.622 18.383 ( 5.681 15.553 7.790) 18.299 18.545 ( -2.519 28.206 15.999) 32.525 18.678 ( -7.993 27.017 6.508) 28.916 19.119 ( -3.200 19.337 -0.778) 19.615 19.644 ( -1.938 -5.227 -12.880) 14.035 19.941 ( 0.933 4.770 -1.447) 5.071 20.289 ( -0.416 3.488 1.689) 3.897 20.736 ( -1.142 -3.443 -5.451) 6.547 21.006 ( -14.365 -3.097 2.494) 14.905 21.742 ( 14.482 -4.877 8.327) 17.403 22.202 ( 35.984 -39.769 -44.885) 69.936 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 18.557 3.502 -8.746) 20.811 1.375 ( 17.568 15.441 8.179) 24.778 1.530 ( -10.632 10.334 2.124) 14.978 1.769 ( 0.577 7.923 4.407) 9.085 2.063 ( 1.784 13.145 6.944) 14.973 2.171 ( 3.203 -3.391 3.852) 6.050 2.319 ( 12.770 6.928 6.398) 15.875 2.400 ( 6.420 14.089 0.443) 15.489 2.564 ( -3.608 1.240 -2.766) 4.712 2.661 ( 0.760 1.047 -0.335) 1.337 2.715 ( -1.216 2.985 4.490) 5.527 2.769 ( -1.303 1.744 -1.604) 2.703 2.823 ( 0.501 6.962 1.876) 7.227 2.893 ( -3.085 4.097 -1.944) 5.485 3.127 ( -3.953 -6.633 -3.477) 8.468 3.200 ( -0.164 -3.885 -8.267) 9.135 3.250 ( 0.654 -3.067 6.404) 7.130 3.355 ( 1.701 -2.814 1.490) 3.610 3.479 ( -3.077 -6.196 -2.616) 7.396 3.576 ( -5.250 0.429 -7.104) 8.844 3.755 ( 0.009 -1.551 -4.901) 5.141 3.794 ( 4.535 0.428 12.009) 12.844 4.007 ( 0.432 -5.659 -5.726) 8.062 4.074 ( -5.172 4.814 2.927) 7.648 4.189 ( 3.181 6.169 -2.240) 7.294 4.236 ( 2.251 -4.201 6.137) 7.771 4.405 ( -0.360 -6.072 2.133) 6.446 4.668 ( 1.137 -0.453 -0.247) 1.249 4.769 ( -0.988 0.793 -0.367) 1.319 4.910 ( 1.461 5.165 -1.580) 5.595 5.120 ( -2.385 -1.974 -2.809) 4.180 5.178 ( 10.791 -3.827 2.734) 11.771 5.255 ( -1.789 3.528 -8.641) 9.503 5.481 ( 5.019 -2.941 -3.175) 6.628 5.576 ( -2.659 -3.827 3.376) 5.754 5.675 ( -0.902 -3.253 -4.184) 5.376 5.841 ( -2.498 -10.749 -8.868) 14.157 6.024 ( 3.943 -7.294 -0.396) 8.301 6.266 ( -3.181 -4.030 -0.392) 5.149 6.284 ( -3.764 3.830 -2.669) 5.997 6.491 ( 1.758 -3.243 4.692) 5.968 6.523 ( 4.327 2.837 6.089) 7.990 6.643 ( 1.114 -4.551 3.195) 5.671 6.738 ( -3.648 0.540 -3.860) 5.338 6.891 ( -1.535 7.395 -3.026) 8.136 6.957 ( -1.722 4.991 -2.470) 5.829 6.964 ( 1.222 7.910 1.950) 8.238 7.114 ( 0.472 -1.573 2.989) 3.410 7.236 ( -1.421 7.701 0.434) 7.843 7.333 ( -1.316 3.117 -2.524) 4.221 7.377 ( 0.007 1.800 -3.317) 3.774 7.479 ( -6.687 0.788 -4.103) 7.884 7.559 ( 3.787 1.208 3.954) 5.606 7.777 ( -3.579 -2.271 -0.176) 4.242 7.962 ( -2.483 1.592 -2.769) 4.045 8.097 ( 3.916 -2.310 0.481) 4.572 8.844 ( 6.191 -7.294 4.243) 10.466 9.045 ( -2.041 -4.001 0.092) 4.492 9.205 ( 0.392 11.686 0.205) 11.694 9.339 ( -0.371 6.568 -2.686) 7.106 9.527 ( 2.824 2.388 4.139) 5.551 9.658 ( 7.618 -2.021 10.287) 12.959 9.696 ( 0.600 8.734 1.621) 8.903 9.869 ( 4.521 15.016 9.745) 18.464 10.055 ( -2.758 -5.375 -6.675) 9.003 10.177 ( 1.064 -3.728 1.868) 4.303 10.253 ( 2.694 -3.208 3.845) 5.686 10.420 ( -2.712 3.055 -1.440) 4.331 10.505 ( -2.276 1.652 -2.871) 4.019 10.796 ( -0.800 2.275 -0.623) 2.491 10.923 ( -0.859 10.266 1.708) 10.443 10.928 ( 0.326 2.653 -0.871) 2.812 11.017 ( -1.557 17.654 29.358) 34.293 11.044 ( -16.135 -9.712 -19.731) 27.276 11.248 ( -5.774 -0.521 -2.704) 6.397 11.651 ( 0.832 -2.562 3.633) 4.522 11.880 ( -2.428 -2.649 0.224) 3.600 12.129 ( -23.087 25.616 -31.912) 46.985 12.930 ( 4.163 4.333 -1.932) 6.312 13.050 ( 5.693 0.343 10.985) 12.377 13.264 ( 2.307 8.461 7.183) 11.336 13.320 ( 0.498 -5.015 4.595) 6.820 13.383 ( 3.675 -3.185 1.872) 5.211 13.702 ( -1.967 0.957 -2.052) 2.999 14.273 ( 8.652 -8.855 9.080) 15.353 14.827 ( 3.423 -0.947 4.215) 5.512 15.098 ( -14.301 -12.773 -6.341) 20.196 15.406 ( 18.211 21.585 18.194) 33.594 15.612 ( -17.305 -11.802 -26.188) 33.534 15.990 ( 5.261 -22.478 5.718) 23.783 16.249 ( 9.725 -8.199 13.535) 18.574 16.460 ( -3.316 -20.732 -3.960) 21.365 16.585 ( -10.389 7.775 -12.944) 18.329 16.735 ( -2.548 -21.115 -1.861) 21.350 17.006 ( -0.004 -27.925 0.294) 27.927 17.375 ( -4.203 -2.545 -6.106) 7.838 17.993 ( 1.530 21.136 24.759) 32.590 18.469 ( -2.827 17.074 -6.096) 18.349 18.610 ( 3.850 26.910 12.827) 30.058 18.690 ( 12.324 5.476 18.232) 22.678 19.033 ( -5.086 19.955 -3.481) 20.885 19.559 ( -6.772 -5.220 -19.332) 21.138 19.984 ( 2.293 3.920 -2.706) 5.286 20.280 ( -0.435 2.991 2.184) 3.729 20.636 ( -7.233 -1.179 -2.721) 7.817 20.799 ( -5.242 -0.378 4.928) 7.205 22.002 ( 10.300 -6.405 8.827) 15.001 22.578 ( 7.851 -22.256 -25.347) 34.633 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -5.947 10.542 0.277) 12.107 1.504 ( -0.390 2.480 -0.891) 2.664 1.700 ( 10.600 -1.211 -4.418) 11.548 1.899 ( 9.284 2.655 7.719) 12.362 2.079 ( 0.995 2.482 5.612) 6.217 2.182 ( -2.138 -4.442 0.676) 4.976 2.449 ( 0.470 7.028 -1.138) 7.135 2.481 ( 3.514 8.626 -1.476) 9.430 2.529 ( -5.344 8.020 0.183) 9.639 2.643 ( -0.295 9.888 2.293) 10.154 2.714 ( 1.740 0.572 0.098) 1.834 2.764 ( -0.084 2.142 -0.045) 2.144 2.820 ( -2.619 -0.949 -0.596) 2.848 2.970 ( 9.095 4.094 4.727) 11.037 3.079 ( 2.257 -0.577 0.930) 2.508 3.203 ( -1.048 -3.242 -5.590) 6.546 3.233 ( -6.393 4.277 -4.414) 8.868 3.355 ( 1.942 -3.488 5.544) 6.832 3.442 ( 1.331 -1.872 2.705) 3.549 3.505 ( -3.134 -1.562 -4.458) 5.669 3.742 ( -0.238 -0.507 -4.768) 4.800 3.855 ( 0.187 -1.266 4.445) 4.626 3.952 ( -3.571 0.619 -2.639) 4.484 4.019 ( 0.727 3.819 1.827) 4.296 4.137 ( -3.114 4.944 -4.172) 7.180 4.329 ( 1.600 -5.505 0.997) 5.819 4.476 ( 6.524 -4.023 12.136) 14.354 4.641 ( -4.269 1.532 -8.734) 9.842 4.796 ( 2.160 1.716 1.292) 3.047 4.953 ( 2.807 -3.088 1.341) 4.383 5.096 ( 0.888 0.954 2.233) 2.585 5.180 ( -4.970 3.076 -9.771) 11.385 5.348 ( 4.764 -5.802 -0.665) 7.536 5.519 ( -2.484 -2.604 1.794) 4.021 5.541 ( 1.259 -5.666 1.530) 6.002 5.641 ( -2.310 -6.522 -2.773) 7.454 5.860 ( 4.145 4.594 -2.502) 6.674 6.100 ( -6.095 3.151 -0.032) 6.862 6.119 ( 2.767 -7.251 -2.409) 8.126 6.301 ( 1.067 -6.467 0.937) 6.621 6.518 ( 2.492 -3.188 2.629) 4.825 6.621 ( 2.269 1.539 6.437) 6.997 6.665 ( 1.172 -3.912 2.544) 4.811 6.678 ( -1.590 -1.723 -3.511) 4.222 6.861 ( -1.237 5.949 -2.960) 6.759 6.892 ( -5.743 5.099 -3.026) 8.255 6.940 ( -1.236 3.660 -0.050) 3.863 7.121 ( 0.679 -1.986 2.141) 2.998 7.225 ( 0.487 3.624 0.215) 3.663 7.324 ( 0.727 7.331 0.259) 7.371 7.357 ( -1.262 -0.799 -1.887) 2.407 7.378 ( -2.942 7.590 -3.238) 8.761 7.649 ( 1.826 -2.766 1.493) 3.635 7.766 ( 3.224 2.628 2.331) 4.768 7.916 ( -1.588 2.344 -1.959) 3.443 8.111 ( -1.851 -2.529 -0.892) 3.258 8.931 ( 2.097 -6.012 1.536) 6.550 9.032 ( 0.367 -6.828 1.127) 6.930 9.211 ( 0.182 12.443 0.090) 12.444 9.335 ( -0.069 7.799 -1.006) 7.864 9.563 ( 0.866 6.467 0.953) 6.594 9.672 ( -1.073 -0.971 -1.049) 1.787 9.817 ( 6.101 0.691 9.050) 10.936 9.947 ( -2.743 -1.116 -4.994) 5.806 10.091 ( 9.877 -1.647 17.492) 20.155 10.204 ( 0.578 -4.265 0.599) 4.345 10.296 ( 1.913 0.395 2.086) 2.858 10.362 ( -1.743 2.454 -1.829) 3.522 10.459 ( -4.902 1.988 -7.654) 9.305 10.571 ( -12.364 -4.400 -17.786) 22.104 10.835 ( -0.275 6.546 -0.540) 6.574 10.908 ( -0.464 11.846 2.208) 12.059 11.006 ( 1.651 -1.472 2.836) 3.597 11.099 ( 1.374 7.594 5.912) 9.721 11.222 ( 6.761 12.264 19.587) 24.079 11.608 ( -17.818 20.653 -27.343) 38.622 11.665 ( -0.626 -1.996 1.482) 2.564 11.909 ( -1.141 0.102 -2.809) 3.034 13.005 ( 3.603 5.493 -4.428) 7.922 13.074 ( -2.512 4.828 5.677) 7.865 13.314 ( 1.644 -3.223 5.219) 6.351 13.356 ( 3.214 5.300 2.936) 6.858 13.478 ( 3.310 -3.767 2.464) 5.587 13.627 ( -4.185 6.020 -5.242) 9.013 14.498 ( 12.944 -14.623 12.658) 23.273 14.788 ( -13.753 -15.026 -10.397) 22.870 14.971 ( 8.649 -9.017 15.799) 20.143 15.250 ( -15.346 -13.516 -25.783) 32.908 15.786 ( 15.502 18.290 20.453) 31.514 16.063 ( 0.785 -8.529 -2.382) 8.890 16.263 ( -9.274 1.807 -11.415) 14.818 16.419 ( -3.016 -27.396 -3.641) 27.801 16.515 ( 8.460 -3.043 12.605) 15.483 16.662 ( -4.989 -15.364 -7.204) 17.687 17.015 ( 0.497 -30.377 0.746) 30.390 17.291 ( -2.887 -0.076 -4.256) 5.143 18.076 ( 4.296 16.112 13.450) 21.423 18.354 ( -5.210 20.161 -9.323) 22.815 18.729 ( 5.502 21.651 8.855) 24.030 18.921 ( -4.750 21.765 -4.717) 22.771 18.985 ( 13.555 -1.049 20.914) 24.945 19.363 ( -11.024 -4.375 -20.450) 23.641 20.018 ( 0.845 3.234 -1.245) 3.566 20.270 ( -0.447 2.103 1.017) 2.378 20.533 ( -2.230 1.410 -0.376) 2.665 20.736 ( -1.521 0.363 2.023) 2.557 22.149 ( 3.753 -7.428 4.100) 9.278 22.658 ( 1.381 -14.279 -8.779) 16.818 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 25.724 0.000) 25.724 1.534 ( 0.000 33.422 0.000) 33.422 1.881 ( 0.000 6.766 0.000) 6.766 2.144 ( 0.000 6.964 0.000) 6.964 2.213 ( 0.000 21.918 0.000) 21.918 2.319 ( 0.000 3.944 0.000) 3.944 2.460 ( 0.000 4.992 0.000) 4.992 2.493 ( 0.000 3.886 0.000) 3.886 2.505 ( 0.000 -4.938 0.000) 4.938 2.570 ( 0.000 -2.638 0.000) 2.638 2.846 ( 0.000 -3.267 0.000) 3.267 2.873 ( 0.000 -4.077 0.000) 4.077 2.924 ( 0.000 2.336 0.000) 2.336 2.983 ( 0.000 -4.309 0.000) 4.309 3.047 ( 0.000 -5.836 0.000) 5.836 3.112 ( 0.000 0.270 0.000) 0.270 3.132 ( 0.000 5.083 0.000) 5.083 3.168 ( 0.000 -13.637 0.000) 13.637 3.418 ( 0.000 1.443 0.000) 1.443 3.570 ( 0.000 -2.145 0.000) 2.145 3.645 ( 0.000 -5.709 0.000) 5.709 3.720 ( 0.000 2.465 0.000) 2.465 3.758 ( 0.000 -0.820 0.000) 0.820 4.009 ( 0.000 0.200 0.000) 0.200 4.295 ( 0.000 7.423 0.000) 7.423 4.312 ( 0.000 6.177 0.000) 6.177 4.447 ( 0.000 2.136 0.000) 2.136 4.640 ( 0.000 -9.913 0.000) 9.913 4.809 ( 0.000 -7.125 0.000) 7.125 4.946 ( 0.000 9.345 0.000) 9.345 5.021 ( 0.000 -1.057 0.000) 1.057 5.144 ( 0.000 1.968 0.000) 1.968 5.229 ( 0.000 0.849 0.000) 0.849 5.274 ( 0.000 0.771 0.000) 0.771 5.503 ( 0.000 -13.789 0.000) 13.789 5.622 ( 0.000 -8.511 0.000) 8.511 5.638 ( 0.000 5.833 0.000) 5.833 5.995 ( 0.000 4.124 0.000) 4.124 6.213 ( 0.000 -5.588 0.000) 5.588 6.303 ( 0.000 7.232 0.000) 7.232 6.462 ( 0.000 -3.726 0.000) 3.726 6.607 ( 0.000 1.275 0.000) 1.275 6.725 ( 0.000 8.861 0.000) 8.861 6.832 ( 0.000 0.270 0.000) 0.270 6.891 ( 0.000 -1.770 0.000) 1.770 7.017 ( 0.000 1.317 0.000) 1.317 7.032 ( 0.000 1.401 0.000) 1.401 7.187 ( 0.000 4.133 0.000) 4.133 7.352 ( 0.000 2.143 0.000) 2.143 7.407 ( 0.000 4.284 0.000) 4.284 7.430 ( 0.000 -9.150 0.000) 9.150 7.464 ( 0.000 3.079 0.000) 3.079 7.695 ( 0.000 8.282 0.000) 8.282 7.830 ( 0.000 0.738 0.000) 0.738 8.023 ( 0.000 -1.011 0.000) 1.011 8.026 ( 0.000 0.321 0.000) 0.321 8.662 ( 0.000 3.172 0.000) 3.172 9.157 ( 0.000 2.934 0.000) 2.934 9.161 ( 0.000 -8.163 0.000) 8.163 9.367 ( 0.000 0.255 0.000) 0.255 9.434 ( 0.000 -0.208 0.000) 0.208 9.770 ( 0.000 -4.507 0.000) 4.507 9.895 ( 0.000 1.712 0.000) 1.712 9.960 ( 0.000 3.232 0.000) 3.232 10.028 ( 0.000 -5.569 0.000) 5.569 10.055 ( 0.000 18.681 0.000) 18.681 10.169 ( 0.000 4.344 0.000) 4.344 10.496 ( 0.000 3.664 0.000) 3.664 10.720 ( 0.000 4.816 0.000) 4.816 10.727 ( 0.000 0.802 0.000) 0.802 10.934 ( 0.000 6.299 0.000) 6.299 11.112 ( 0.000 5.557 0.000) 5.557 11.367 ( 0.000 -4.769 0.000) 4.769 11.397 ( 0.000 1.061 0.000) 1.061 11.696 ( 0.000 -9.692 0.000) 9.692 11.862 ( 0.000 19.335 0.000) 19.335 12.007 ( 0.000 16.740 0.000) 16.740 12.104 ( 0.000 -23.328 0.000) 23.328 12.916 ( 0.000 3.970 0.000) 3.970 13.144 ( 0.000 8.735 0.000) 8.735 13.415 ( 0.000 9.237 0.000) 9.237 13.463 ( 0.000 5.049 0.000) 5.049 13.484 ( 0.000 5.411 0.000) 5.411 13.605 ( 0.000 -7.039 0.000) 7.039 14.192 ( 0.000 12.100 0.000) 12.100 14.754 ( 0.000 1.307 0.000) 1.307 15.168 ( 0.000 -36.898 0.000) 36.898 15.375 ( 0.000 -12.697 0.000) 12.697 15.557 ( 0.000 23.017 0.000) 23.017 15.811 ( 0.000 7.923 0.000) 7.923 15.945 ( 0.000 -20.682 0.000) 20.682 16.083 ( 0.000 -30.200 0.000) 30.200 16.268 ( 0.000 -16.801 0.000) 16.801 16.580 ( 0.000 -13.063 0.000) 13.063 16.676 ( 0.000 -12.357 0.000) 12.357 17.004 ( 0.000 -19.692 0.000) 19.692 18.579 ( 0.000 15.386 0.000) 15.386 18.829 ( 0.000 18.962 0.000) 18.962 19.005 ( 0.000 13.731 0.000) 13.731 19.454 ( 0.000 -3.344 0.000) 3.344 19.521 ( 0.000 8.864 0.000) 8.864 19.607 ( 0.000 7.540 0.000) 7.540 20.266 ( 0.000 2.342 0.000) 2.342 20.363 ( 0.000 -2.760 0.000) 2.760 20.407 ( 0.000 6.745 0.000) 6.745 21.015 ( 0.000 -9.409 0.000) 9.409 21.277 ( 0.000 0.550 0.000) 0.550 21.442 ( 0.000 -3.279 0.000) 3.279 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 11.606 18.302 -2.296) 21.793 1.572 ( 3.492 26.599 -4.424) 27.189 1.904 ( 0.641 7.453 1.109) 7.562 2.066 ( -5.889 7.337 -1.667) 9.554 2.207 ( -9.099 5.363 -0.404) 10.570 2.262 ( -6.071 -0.937 3.150) 6.903 2.368 ( 1.197 11.525 5.219) 12.708 2.506 ( 2.919 -1.349 -1.650) 3.614 2.576 ( 3.173 1.738 2.093) 4.180 2.582 ( 3.578 5.077 -3.920) 7.345 2.692 ( -6.643 -8.285 -1.934) 10.794 2.885 ( -1.536 3.690 -0.381) 4.015 2.903 ( -3.665 -2.943 -1.090) 4.825 2.985 ( 0.865 -7.137 -2.642) 7.660 3.058 ( -2.128 -6.476 -3.944) 7.875 3.147 ( 8.350 -1.457 2.374) 8.802 3.218 ( 4.188 4.963 0.133) 6.495 3.296 ( 5.959 0.176 2.401) 6.427 3.328 ( -3.167 -0.267 0.166) 3.183 3.578 ( 2.304 -5.066 2.912) 6.282 3.726 ( 3.784 0.163 -1.647) 4.130 3.758 ( 2.632 3.010 1.498) 4.269 3.840 ( 6.589 -0.402 8.249) 10.565 4.035 ( 3.440 0.012 3.003) 4.567 4.272 ( -3.087 10.257 -0.418) 10.720 4.287 ( -1.270 4.559 0.347) 4.746 4.429 ( -1.510 1.190 -0.210) 1.934 4.625 ( -3.257 -9.100 -0.902) 9.707 4.839 ( 4.957 -0.923 1.969) 5.413 4.911 ( -2.512 2.996 2.339) 4.555 5.035 ( 1.490 -0.360 -4.360) 4.621 5.153 ( -3.820 -0.959 0.739) 4.008 5.217 ( 4.708 0.897 -3.152) 5.737 5.340 ( 2.448 -1.121 -1.419) 3.043 5.523 ( 0.693 -10.568 -2.227) 10.823 5.595 ( 0.867 -1.367 -3.799) 4.130 5.674 ( 1.535 -2.705 -2.008) 3.702 5.907 ( -6.107 -0.069 0.921) 6.177 6.195 ( -0.690 -0.301 -2.226) 2.350 6.361 ( 3.526 2.561 2.151) 4.860 6.475 ( 1.601 -2.286 3.947) 4.834 6.574 ( -3.122 0.801 -2.597) 4.139 6.669 ( -2.888 8.308 1.192) 8.875 6.857 ( -1.981 1.422 -0.068) 2.439 6.935 ( 3.467 -3.750 2.737) 5.794 7.010 ( 1.209 0.522 -1.111) 1.723 7.076 ( -1.017 4.738 -4.123) 6.363 7.136 ( -0.857 2.122 -1.011) 2.502 7.332 ( -2.477 0.652 -1.801) 3.131 7.376 ( -1.567 -5.294 -2.535) 6.075 7.437 ( 2.050 3.114 2.857) 4.697 7.476 ( -0.091 2.006 3.279) 3.845 7.689 ( -0.237 8.702 0.671) 8.731 7.856 ( -2.024 1.865 -0.461) 2.791 7.972 ( 1.750 -0.454 -2.674) 3.228 8.043 ( -1.100 -0.066 1.879) 2.178 8.691 ( 2.434 2.509 -1.209) 3.699 9.102 ( -3.949 1.688 -4.525) 6.238 9.204 ( 2.524 -6.597 2.221) 7.404 9.325 ( -2.618 -2.095 -2.989) 4.492 9.484 ( 4.038 -1.230 5.326) 6.796 9.674 ( -5.574 4.141 -5.274) 8.719 9.876 ( -0.889 -3.503 -3.781) 5.230 9.916 ( -2.878 -0.576 -3.966) 4.934 10.050 ( 1.906 -2.335 2.833) 4.136 10.115 ( 0.148 -2.881 0.493) 2.926 10.245 ( 7.041 16.943 9.494) 20.659 10.535 ( 3.517 8.444 5.166) 10.506 10.653 ( -3.859 5.859 -3.194) 7.709 10.776 ( 2.490 -0.103 2.763) 3.721 10.943 ( 0.514 3.872 -1.322) 4.123 11.089 ( -3.680 -0.003 -4.429) 5.758 11.319 ( -2.401 4.083 5.118) 6.974 11.415 ( 0.425 0.574 2.743) 2.835 11.534 ( -15.675 15.741 -15.746) 27.229 11.666 ( -3.587 -3.024 -0.401) 4.708 11.938 ( -4.776 15.675 5.718) 17.356 12.461 ( 20.496 -14.158 28.007) 37.482 12.905 ( -3.406 6.457 -5.388) 9.073 13.084 ( -4.947 11.576 -8.305) 15.081 13.372 ( -4.621 -1.018 -2.899) 5.549 13.394 ( -2.466 6.024 -1.258) 6.629 13.502 ( 0.675 13.948 1.124) 14.009 13.651 ( 3.252 -3.436 0.584) 4.767 14.134 ( -1.789 5.388 -1.359) 5.837 14.851 ( 4.297 -0.012 0.146) 4.300 15.128 ( -3.946 -36.365 1.228) 36.599 15.213 ( -13.376 -12.888 2.375) 18.726 15.571 ( -1.844 12.092 -4.316) 12.971 15.751 ( -0.891 -7.771 -1.146) 7.905 15.848 ( -12.445 -16.074 -18.313) 27.360 16.071 ( 1.379 -20.692 2.343) 20.869 16.284 ( 10.256 -7.076 12.060) 17.341 16.561 ( -4.379 -16.500 -4.500) 17.654 16.769 ( 5.429 -7.561 8.351) 12.505 17.129 ( 9.297 -15.374 13.234) 22.314 18.546 ( -5.101 15.157 7.787) 17.788 18.765 ( -5.210 18.422 -5.835) 20.014 18.928 ( -5.188 13.038 -4.579) 14.761 19.263 ( -12.385 19.875 19.255) 30.317 19.448 ( -1.446 4.853 0.403) 5.080 19.543 ( -3.671 3.186 -6.790) 8.351 20.079 ( -0.483 8.425 -1.449) 8.562 20.389 ( -1.463 5.896 1.720) 6.313 20.632 ( 3.650 -6.275 -7.424) 10.384 20.911 ( -8.978 -6.222 3.703) 11.534 21.604 ( 16.197 -9.220 -9.569) 20.950 21.659 ( 24.408 -12.991 -5.265) 28.147 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 8.202 5.103 -4.933) 10.847 1.628 ( -1.249 8.284 -2.043) 8.623 1.810 ( -7.797 13.540 0.182) 15.626 1.915 ( -5.197 4.381 -0.614) 6.825 2.084 ( -2.862 -3.985 0.615) 4.945 2.123 ( -3.302 -3.823 3.432) 6.107 2.432 ( 2.083 -1.192 -4.587) 5.177 2.518 ( -3.549 -3.472 -1.319) 5.138 2.569 ( 0.246 -2.097 -0.871) 2.284 2.656 ( 5.473 2.164 -1.906) 6.186 2.763 ( 4.301 3.984 6.943) 9.087 2.821 ( -1.468 4.271 -0.066) 4.517 2.917 ( 3.563 4.618 1.645) 6.060 2.929 ( -4.209 -7.888 -3.970) 9.783 3.080 ( 3.484 -2.303 -6.032) 7.337 3.242 ( 1.171 6.400 3.402) 7.342 3.298 ( 2.990 3.152 4.115) 5.984 3.359 ( 7.815 6.971 4.627) 11.448 3.389 ( 2.158 -5.588 -0.300) 5.998 3.642 ( 2.918 -3.953 2.089) 5.339 3.764 ( -1.198 11.075 -4.589) 12.048 3.796 ( 0.944 5.145 -0.298) 5.239 3.914 ( 0.261 -0.438 -0.840) 0.982 4.170 ( 2.182 1.202 11.720) 11.982 4.215 ( 2.558 3.595 7.824) 8.983 4.266 ( 1.297 6.860 1.585) 7.159 4.386 ( -2.556 3.361 -4.445) 6.131 4.590 ( 1.771 -5.807 -0.324) 6.080 4.835 ( -3.461 3.242 -5.099) 6.963 4.941 ( 0.594 -3.835 3.793) 5.426 5.095 ( 2.000 -4.599 8.042) 9.478 5.113 ( 2.550 2.143 -9.229) 9.811 5.242 ( -1.528 -5.363 -9.080) 10.656 5.391 ( 2.430 -0.767 -2.506) 3.574 5.508 ( -0.754 -3.868 1.473) 4.207 5.639 ( -5.359 -3.162 -4.560) 7.714 5.690 ( 6.974 -3.082 -3.616) 8.438 5.865 ( 2.951 -7.143 3.460) 8.468 6.206 ( 1.600 3.570 -0.033) 3.912 6.399 ( -0.138 1.292 0.703) 1.477 6.486 ( -4.245 2.860 -2.323) 5.621 6.520 ( 1.076 -4.638 4.273) 6.397 6.650 ( -0.511 4.652 2.139) 5.146 6.712 ( -6.951 0.823 -1.274) 7.115 6.975 ( -2.670 -1.741 -6.057) 6.845 7.025 ( 0.667 2.028 -0.264) 2.151 7.084 ( 4.268 3.525 4.633) 7.218 7.111 ( -3.854 1.464 -2.215) 4.680 7.289 ( -1.513 -0.549 0.787) 1.791 7.356 ( -1.447 -1.722 -4.878) 5.371 7.468 ( 0.491 0.648 3.926) 4.009 7.477 ( 1.158 4.025 0.170) 4.191 7.649 ( -4.061 5.787 -1.085) 7.152 7.815 ( 1.439 6.587 -0.068) 6.743 7.985 ( -3.117 -0.482 -0.113) 3.156 8.076 ( 4.484 0.099 1.191) 4.641 8.747 ( 3.084 -0.649 0.688) 3.225 9.005 ( -4.941 0.493 -5.938) 7.741 9.258 ( 2.498 -5.430 2.003) 6.303 9.297 ( 0.021 -5.562 -0.077) 5.563 9.572 ( 2.895 -3.100 4.401) 6.112 9.602 ( -1.060 1.157 -0.923) 1.821 9.832 ( -2.779 0.944 -4.593) 5.451 9.883 ( -0.599 -7.927 -1.949) 8.186 10.074 ( 0.222 -2.726 0.079) 2.736 10.105 ( -0.481 -4.552 -0.431) 4.598 10.356 ( 3.434 9.207 5.358) 11.192 10.568 ( -2.583 6.735 -3.173) 7.880 10.627 ( 3.013 15.148 4.609) 16.118 10.823 ( 1.242 2.569 3.740) 4.704 10.899 ( -7.291 -1.141 -8.346) 11.141 10.960 ( -3.830 -0.311 -7.609) 8.525 11.339 ( 1.923 25.117 5.324) 25.747 11.350 ( 0.305 15.636 10.776) 18.993 11.410 ( -0.684 12.175 3.041) 12.568 11.597 ( -2.480 -1.411 -0.209) 2.861 11.863 ( -2.139 7.312 8.344) 11.299 12.616 ( -20.013 17.938 -27.995) 38.807 12.865 ( 15.606 -11.109 24.151) 30.826 13.065 ( 2.483 5.942 -1.036) 6.523 13.323 ( -3.873 3.387 0.105) 5.146 13.326 ( -0.052 -1.813 -3.601) 4.032 13.533 ( 2.346 14.575 3.490) 15.169 13.726 ( 3.675 1.742 3.715) 5.508 14.154 ( 2.875 -2.518 0.073) 3.823 14.797 ( -10.839 -6.573 4.681) 13.512 14.892 ( -11.484 -4.156 -6.659) 13.910 15.087 ( -3.586 -39.715 -8.154) 40.702 15.373 ( -8.883 -18.065 -15.044) 25.131 15.660 ( -6.716 -31.871 -6.968) 33.308 15.929 ( 12.041 3.622 13.816) 18.681 16.133 ( 4.995 -8.054 5.933) 11.181 16.427 ( -2.014 -25.657 -3.703) 26.001 16.587 ( 11.316 8.291 14.700) 20.320 16.800 ( -2.699 4.095 -3.922) 6.280 17.280 ( 4.074 -7.158 5.557) 9.936 18.399 ( -4.981 17.373 9.561) 20.446 18.742 ( -0.773 10.445 -2.605) 10.792 18.834 ( -0.990 8.371 -0.772) 8.465 19.164 ( 0.092 21.725 11.106) 24.399 19.397 ( -3.815 3.806 -2.994) 6.164 19.444 ( -5.847 4.876 -9.918) 12.503 20.100 ( 1.001 7.175 -3.079) 7.872 20.354 ( -2.089 3.346 1.505) 4.222 20.612 ( -2.810 -0.632 -2.308) 3.691 20.784 ( -3.107 -1.244 4.469) 5.583 21.842 ( 9.201 -8.214 2.791) 12.646 22.111 ( 15.455 -20.621 -13.028) 28.876 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -3.108 -0.131 -2.324) 3.882 1.512 ( -4.351 -1.983 -1.552) 5.028 1.760 ( 0.205 3.979 0.260) 3.993 1.923 ( 4.302 -1.507 4.257) 6.237 2.017 ( -4.170 -5.750 -3.700) 8.008 2.103 ( 0.593 -1.867 1.992) 2.794 2.435 ( -1.526 -3.567 -0.029) 3.880 2.513 ( 1.566 -6.084 -2.482) 6.755 2.589 ( 2.759 1.509 -1.535) 3.499 2.761 ( 3.782 3.756 -0.801) 5.390 2.773 ( -4.252 1.725 0.905) 4.677 2.782 ( 0.689 5.229 -0.548) 5.303 2.832 ( -3.199 -1.571 -0.269) 3.574 2.994 ( 1.164 0.507 2.081) 2.438 3.156 ( 2.086 1.207 -2.790) 3.687 3.286 ( 2.443 3.788 2.390) 5.102 3.374 ( 3.058 -1.535 2.923) 4.500 3.399 ( 0.315 -1.369 -0.124) 1.410 3.531 ( 7.843 8.439 5.513) 12.772 3.668 ( -4.254 1.228 -1.321) 4.621 3.703 ( 0.356 23.744 -1.207) 23.777 3.791 ( -1.089 4.997 -1.724) 5.398 3.887 ( -1.907 0.238 -2.729) 3.337 4.125 ( -1.707 -2.722 -0.488) 3.250 4.239 ( 0.523 10.250 6.452) 12.123 4.305 ( -2.076 1.614 -1.455) 3.005 4.471 ( 9.646 3.135 12.453) 16.061 4.630 ( -2.580 -2.798 -8.633) 9.435 4.804 ( 3.315 -0.110 -2.129) 3.941 4.901 ( -3.716 -3.196 1.383) 5.093 5.080 ( -0.765 -5.490 2.133) 5.940 5.168 ( -1.540 -3.620 -6.025) 7.195 5.231 ( 1.645 -1.412 -4.401) 4.906 5.434 ( 1.499 -6.439 1.094) 6.701 5.497 ( -0.588 0.849 3.824) 3.961 5.539 ( -2.654 -2.006 -4.103) 5.283 5.856 ( 8.093 -4.470 -0.718) 9.274 5.937 ( 1.714 -8.857 1.738) 9.187 6.202 ( -3.410 10.242 -2.287) 11.034 6.354 ( -1.266 4.280 -0.273) 4.472 6.481 ( 2.768 -1.712 3.757) 4.971 6.512 ( -0.453 -6.974 1.324) 7.113 6.549 ( -3.485 -8.053 -1.767) 8.951 6.711 ( -0.906 5.137 1.000) 5.312 6.907 ( -1.718 0.691 -2.496) 3.108 7.008 ( -3.444 5.134 -2.131) 6.539 7.051 ( 0.945 5.387 0.613) 5.503 7.142 ( 0.444 2.805 0.937) 2.990 7.268 ( -0.013 -2.841 3.157) 4.247 7.311 ( -2.170 1.187 -5.046) 5.620 7.483 ( 1.543 6.555 1.636) 6.930 7.511 ( 0.358 1.592 -0.414) 1.683 7.579 ( -1.668 -0.877 0.168) 1.892 7.881 ( 2.721 1.613 -0.792) 3.261 7.931 ( -0.989 3.515 1.754) 4.051 8.117 ( -0.294 2.983 -0.526) 3.043 8.817 ( 3.270 -3.430 3.979) 6.188 8.916 ( -3.418 -3.458 -5.475) 7.322 9.295 ( 0.892 -3.302 1.004) 3.565 9.313 ( 0.909 -7.302 0.634) 7.385 9.575 ( 0.202 -1.039 -1.508) 1.843 9.601 ( -1.566 -5.224 1.286) 5.603 9.815 ( 1.009 -3.629 1.075) 3.917 9.872 ( -0.495 -6.187 -2.337) 6.632 10.066 ( -0.619 -1.835 -0.773) 2.086 10.097 ( -0.285 -5.270 -0.084) 5.279 10.402 ( 1.292 4.374 2.958) 5.436 10.523 ( -1.406 2.112 -3.400) 4.242 10.675 ( 1.727 20.383 3.599) 20.771 10.739 ( -4.368 19.391 -5.562) 20.640 10.854 ( -0.287 -2.160 2.301) 3.169 10.916 ( -0.768 -4.642 -3.473) 5.848 11.315 ( -0.476 25.532 1.469) 25.579 11.400 ( -0.200 24.642 -0.110) 24.643 11.526 ( 8.529 12.550 14.754) 21.164 11.570 ( -0.324 -4.015 -0.413) 4.050 11.876 ( 5.241 9.697 18.939) 21.913 12.166 ( -20.619 20.934 -34.087) 45.003 13.113 ( 6.831 -4.977 10.785) 13.702 13.132 ( 3.253 3.752 0.524) 4.994 13.239 ( -3.915 3.135 0.198) 5.020 13.353 ( 1.764 -5.220 -1.744) 5.779 13.585 ( 1.979 11.278 2.359) 11.691 13.777 ( 1.016 7.810 1.915) 8.105 14.243 ( 5.877 -9.518 1.738) 11.321 14.504 ( -12.757 -10.606 -4.811) 17.273 14.779 ( -1.814 -13.684 3.272) 14.186 14.964 ( -5.425 -15.188 -12.078) 20.150 15.307 ( -0.087 -34.177 -0.376) 34.179 15.561 ( -2.621 -36.854 -2.790) 37.052 16.075 ( 2.487 -25.317 4.109) 25.768 16.275 ( 3.910 -11.562 3.470) 12.689 16.438 ( 7.462 0.443 8.800) 11.546 16.663 ( -9.887 14.915 -13.314) 22.304 16.799 ( 6.638 11.918 8.787) 16.227 17.301 ( -0.794 -0.254 -1.443) 1.666 18.377 ( 1.283 12.867 7.534) 14.966 18.642 ( -4.728 8.268 -7.946) 12.404 18.960 ( 8.800 0.393 14.014) 16.553 19.180 ( -1.240 12.003 -2.693) 12.364 19.270 ( -5.763 2.511 -7.947) 10.133 19.354 ( -2.498 17.457 -1.067) 17.667 20.109 ( 0.060 5.376 -1.147) 5.498 20.309 ( -1.629 0.982 0.575) 1.987 20.588 ( 0.182 4.188 -0.442) 4.215 20.745 ( -1.035 0.460 1.860) 2.178 21.973 ( 3.319 -8.475 1.401) 9.209 22.306 ( 4.362 -18.276 -4.712) 19.371 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 25.128 0.000) 25.128 1.956 ( 0.000 -9.679 0.000) 9.679 2.116 ( 0.000 21.501 0.000) 21.501 2.153 ( 0.000 -1.070 0.000) 1.070 2.297 ( 0.000 -3.033 0.000) 3.033 2.364 ( 0.000 5.998 0.000) 5.998 2.373 ( 0.000 -4.942 0.000) 4.942 2.535 ( 0.000 -1.129 0.000) 1.129 2.599 ( 0.000 5.151 0.000) 5.151 2.632 ( 0.000 1.971 0.000) 1.971 2.746 ( 0.000 -6.011 0.000) 6.011 2.798 ( 0.000 0.222 0.000) 0.222 2.843 ( 0.000 -12.043 0.000) 12.043 2.871 ( 0.000 -4.768 0.000) 4.768 2.898 ( 0.000 -0.629 0.000) 0.629 2.972 ( 0.000 -6.128 0.000) 6.128 3.168 ( 0.000 4.260 0.000) 4.260 3.227 ( 0.000 0.966 0.000) 0.966 3.418 ( 0.000 2.929 0.000) 2.929 3.528 ( 0.000 -4.247 0.000) 4.247 3.730 ( 0.000 3.932 0.000) 3.932 3.740 ( 0.000 0.064 0.000) 0.064 3.841 ( 0.000 9.512 0.000) 9.512 3.986 ( 0.000 -3.435 0.000) 3.435 4.291 ( 0.000 1.235 0.000) 1.235 4.412 ( 0.000 -10.030 0.000) 10.030 4.526 ( 0.000 6.650 0.000) 6.650 4.668 ( 0.000 -7.180 0.000) 7.180 4.670 ( 0.000 17.149 0.000) 17.149 4.936 ( 0.000 -7.890 0.000) 7.890 5.120 ( 0.000 1.645 0.000) 1.645 5.171 ( 0.000 10.089 0.000) 10.089 5.206 ( 0.000 -7.323 0.000) 7.323 5.275 ( 0.000 2.916 0.000) 2.916 5.306 ( 0.000 -4.405 0.000) 4.405 5.436 ( 0.000 -10.287 0.000) 10.287 5.867 ( 0.000 12.914 0.000) 12.914 6.078 ( 0.000 -7.837 0.000) 7.837 6.123 ( 0.000 8.582 0.000) 8.582 6.322 ( 0.000 -9.505 0.000) 9.505 6.522 ( 0.000 13.231 0.000) 13.231 6.670 ( 0.000 2.742 0.000) 2.742 6.794 ( 0.000 -1.553 0.000) 1.553 6.831 ( 0.000 -5.630 0.000) 5.630 6.869 ( 0.000 2.607 0.000) 2.607 6.932 ( 0.000 -6.457 0.000) 6.457 7.079 ( 0.000 5.055 0.000) 5.055 7.225 ( 0.000 -8.369 0.000) 8.369 7.286 ( 0.000 4.600 0.000) 4.600 7.361 ( 0.000 -2.353 0.000) 2.353 7.480 ( 0.000 2.703 0.000) 2.703 7.504 ( 0.000 0.524 0.000) 0.524 7.846 ( 0.000 4.594 0.000) 4.594 7.868 ( 0.000 1.712 0.000) 1.712 8.006 ( 0.000 -0.386 0.000) 0.386 8.013 ( 0.000 -0.915 0.000) 0.915 8.764 ( 0.000 7.251 0.000) 7.251 8.955 ( 0.000 -10.759 0.000) 10.759 9.289 ( 0.000 8.555 0.000) 8.555 9.402 ( 0.000 -2.705 0.000) 2.705 9.405 ( 0.000 3.846 0.000) 3.846 9.570 ( 0.000 -11.002 0.000) 11.002 9.896 ( 0.000 -0.740 0.000) 0.740 9.921 ( 0.000 -3.205 0.000) 3.205 9.971 ( 0.000 0.811 0.000) 0.811 10.037 ( 0.000 -4.870 0.000) 4.870 10.604 ( 0.000 6.300 0.000) 6.300 10.688 ( 0.000 11.642 0.000) 11.642 10.739 ( 0.000 8.134 0.000) 8.134 10.823 ( 0.000 4.050 0.000) 4.050 11.032 ( 0.000 6.571 0.000) 6.571 11.173 ( 0.000 3.937 0.000) 3.937 11.252 ( 0.000 -6.608 0.000) 6.608 11.409 ( 0.000 -18.722 0.000) 18.722 11.487 ( 0.000 7.656 0.000) 7.656 11.707 ( 0.000 -14.497 0.000) 14.497 12.459 ( 0.000 29.746 0.000) 29.746 12.560 ( 0.000 38.286 0.000) 38.286 12.956 ( 0.000 -5.138 0.000) 5.138 13.134 ( 0.000 -25.372 0.000) 25.372 13.224 ( 0.000 2.122 0.000) 2.122 13.395 ( 0.000 -9.756 0.000) 9.756 13.564 ( 0.000 5.401 0.000) 5.401 13.734 ( 0.000 -5.773 0.000) 5.773 14.419 ( 0.000 -6.509 0.000) 6.509 14.446 ( 0.000 6.368 0.000) 6.368 14.913 ( 0.000 1.204 0.000) 1.204 15.087 ( 0.000 -14.695 0.000) 14.695 15.626 ( 0.000 -7.883 0.000) 7.883 15.700 ( 0.000 -2.823 0.000) 2.823 15.918 ( 0.000 -10.259 0.000) 10.259 15.932 ( 0.000 0.212 0.000) 0.212 16.105 ( 0.000 21.804 0.000) 21.804 16.350 ( 0.000 -6.503 0.000) 6.503 16.464 ( 0.000 -7.564 0.000) 7.564 16.602 ( 0.000 -19.472 0.000) 19.472 18.892 ( 0.000 14.795 0.000) 14.795 19.084 ( 0.000 3.173 0.000) 3.173 19.189 ( 0.000 4.147 0.000) 4.147 19.251 ( 0.000 -8.662 0.000) 8.662 19.721 ( 0.000 5.192 0.000) 5.192 19.729 ( 0.000 3.651 0.000) 3.651 20.298 ( 0.000 0.929 0.000) 0.929 20.318 ( 0.000 -1.469 0.000) 1.469 20.580 ( 0.000 9.897 0.000) 9.897 20.798 ( 0.000 -11.128 0.000) 11.128 21.310 ( 0.000 2.489 0.000) 2.489 21.372 ( 0.000 -3.386 0.000) 3.386 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.508 20.969 0.266) 21.025 1.941 ( -3.431 -12.874 -1.037) 13.364 2.015 ( -8.409 14.912 -8.741) 19.221 2.120 ( -3.910 4.387 -1.237) 6.005 2.193 ( -7.940 0.514 -1.787) 8.154 2.239 ( -10.832 -2.935 -5.673) 12.575 2.381 ( -0.914 -5.198 -4.545) 6.965 2.427 ( -6.247 -5.093 -6.111) 10.115 2.620 ( -0.453 3.696 -0.921) 3.836 2.656 ( 0.866 1.218 -2.819) 3.190 2.698 ( 7.805 6.611 11.411) 15.324 2.824 ( 0.052 -4.504 -3.115) 5.476 2.861 ( 0.526 0.008 1.016) 1.144 2.952 ( -0.204 -5.269 4.335) 6.826 2.957 ( 4.681 1.650 -1.895) 5.313 3.049 ( 11.114 -8.923 4.006) 14.805 3.242 ( 3.425 -0.463 1.215) 3.663 3.268 ( 4.035 -1.614 3.098) 5.337 3.364 ( -2.407 7.166 -3.210) 8.212 3.529 ( 0.593 -5.653 -1.291) 5.829 3.810 ( 3.916 3.363 7.300) 8.940 3.833 ( 6.219 2.374 8.600) 10.875 3.900 ( 7.020 7.522 1.348) 10.376 4.016 ( 4.029 -2.559 2.761) 5.514 4.308 ( 1.822 1.809 0.051) 2.567 4.411 ( 0.617 -7.464 -0.368) 7.499 4.518 ( -1.321 8.721 1.379) 8.928 4.657 ( -2.005 13.209 0.206) 13.362 4.713 ( 3.814 -6.882 2.321) 8.204 4.882 ( -3.140 -6.090 -2.319) 7.234 5.081 ( -3.475 4.110 -2.522) 5.944 5.162 ( 0.264 1.169 -4.574) 4.728 5.257 ( 0.467 0.862 -1.369) 1.684 5.319 ( 3.882 -2.949 2.782) 5.612 5.324 ( 2.411 -1.947 0.571) 3.151 5.453 ( 2.770 -8.918 -5.418) 10.797 5.794 ( -5.660 7.615 -2.448) 9.799 5.902 ( -9.868 -2.368 -1.074) 10.205 6.232 ( 4.748 4.840 1.406) 6.924 6.365 ( 2.449 -6.810 3.149) 7.892 6.516 ( -0.761 10.587 -0.132) 10.615 6.623 ( -3.577 1.878 -3.433) 5.302 6.778 ( -1.678 0.296 -1.250) 2.114 6.837 ( -1.055 -3.542 2.710) 4.583 6.880 ( 2.688 0.498 1.063) 2.933 6.964 ( 1.302 -5.555 -1.428) 5.882 7.095 ( 0.372 1.673 -0.250) 1.732 7.174 ( -3.623 -2.426 -2.779) 5.170 7.257 ( -1.311 1.068 -0.356) 1.728 7.327 ( -2.071 -3.174 -1.716) 4.160 7.498 ( 1.046 3.196 2.350) 4.103 7.526 ( 1.631 0.899 2.979) 3.514 7.853 ( -0.407 6.025 1.103) 6.139 7.910 ( 0.790 1.522 1.341) 2.177 7.973 ( 1.447 0.526 -1.191) 1.946 8.004 ( -1.817 -2.730 0.726) 3.359 8.796 ( 2.555 7.687 0.093) 8.101 8.989 ( 2.840 -10.390 1.152) 10.833 9.225 ( -5.456 5.997 -7.565) 11.089 9.297 ( -6.346 -1.271 -8.639) 10.794 9.465 ( 2.778 1.264 5.080) 5.927 9.584 ( 0.726 -8.644 3.252) 9.264 9.853 ( -4.286 1.080 -7.321) 8.551 9.887 ( -3.115 -1.885 -5.807) 6.854 9.979 ( 1.196 -1.353 2.276) 2.905 10.026 ( -0.735 -4.793 -0.854) 4.924 10.520 ( -3.011 9.343 -4.369) 10.745 10.680 ( -2.473 -5.460 -3.208) 6.798 10.776 ( -1.708 7.031 0.261) 7.240 10.837 ( 2.478 4.389 2.725) 5.730 11.000 ( -0.917 6.729 1.085) 6.877 11.093 ( -3.405 0.946 -4.413) 5.654 11.359 ( 6.516 0.029 9.567) 11.575 11.468 ( 1.273 -2.911 7.672) 8.304 11.522 ( 5.256 3.804 6.793) 9.394 11.742 ( 4.408 -7.574 9.634) 13.024 12.431 ( -3.273 28.947 -0.105) 29.132 12.609 ( 5.246 30.942 7.935) 32.371 12.937 ( -2.738 -8.518 -3.695) 9.680 13.096 ( -2.218 -16.083 -4.608) 16.877 13.261 ( 2.707 0.854 1.262) 3.106 13.411 ( 1.234 -6.521 1.604) 6.828 13.584 ( 1.633 3.194 0.831) 3.682 13.747 ( 1.288 -5.783 0.354) 5.935 14.328 ( -8.435 8.766 -10.914) 16.344 14.408 ( -2.085 -11.234 -2.134) 11.624 14.864 ( -5.756 -1.488 3.833) 7.074 14.998 ( -8.643 -11.712 4.824) 15.335 15.428 ( -13.152 -9.395 -17.020) 23.471 15.482 ( -16.990 -12.460 -23.874) 31.841 15.737 ( -7.076 5.561 -9.570) 13.137 16.039 ( -4.771 -18.834 -6.063) 20.353 16.190 ( 11.837 20.055 13.585) 26.961 16.528 ( 12.948 10.514 17.138) 23.914 16.548 ( 11.126 -13.654 14.345) 22.716 16.813 ( 14.197 -15.362 19.585) 28.656 18.838 ( -5.556 13.234 -1.720) 14.456 19.007 ( -6.792 1.171 -6.750) 9.647 19.108 ( -5.873 6.952 -8.625) 12.538 19.249 ( -0.973 -7.959 -3.775) 8.863 19.623 ( -5.874 8.389 9.784) 14.163 19.678 ( -3.561 2.883 5.904) 7.473 20.262 ( 0.770 8.935 -3.529) 9.638 20.426 ( 0.192 -6.003 -5.226) 7.961 20.592 ( 2.684 6.199 1.172) 6.856 20.757 ( -2.668 -8.491 3.353) 9.511 21.474 ( 13.905 -1.645 -7.045) 15.675 21.511 ( 11.487 -4.605 1.543) 12.471 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -4.412 10.144 -1.826) 11.212 1.707 ( -16.127 -2.158 -8.923) 18.557 1.838 ( -8.708 -3.349 -2.112) 9.566 1.932 ( -11.837 -8.242 -6.321) 15.748 2.071 ( -1.365 5.933 -0.195) 6.091 2.111 ( -1.991 2.290 -2.890) 4.190 2.359 ( 1.413 -1.184 -1.831) 2.598 2.419 ( 1.060 -5.345 -1.029) 5.546 2.621 ( -0.067 4.513 -3.862) 5.940 2.688 ( 2.386 -0.999 -3.730) 4.539 2.819 ( 2.100 1.765 0.779) 2.852 2.855 ( -1.204 1.120 0.921) 1.885 2.859 ( 2.755 2.461 5.634) 6.737 2.969 ( 2.866 -3.878 4.668) 6.712 3.099 ( 7.614 4.397 -2.595) 9.167 3.236 ( 3.488 -7.887 -1.974) 8.847 3.256 ( 0.786 0.761 4.102) 4.246 3.305 ( 3.020 -2.255 3.614) 5.221 3.433 ( 5.689 3.486 0.297) 6.679 3.552 ( 1.495 -5.309 -1.118) 5.628 3.874 ( 2.576 2.442 1.295) 3.778 3.912 ( 2.084 -0.120 4.290) 4.771 4.051 ( 6.308 9.936 5.403) 12.950 4.178 ( 9.612 -2.311 15.533) 18.412 4.358 ( 1.914 7.529 -1.562) 7.924 4.460 ( 3.449 -3.203 -0.761) 4.768 4.483 ( -0.359 8.788 1.173) 8.873 4.575 ( -5.073 11.210 0.025) 12.304 4.771 ( 0.765 -7.197 3.975) 8.257 4.843 ( -1.333 -4.566 -3.799) 6.087 5.040 ( -0.693 2.046 0.129) 2.164 5.136 ( -2.163 -2.923 -9.702) 10.361 5.219 ( -1.848 3.219 -6.663) 7.627 5.336 ( -1.318 -6.037 -1.826) 6.444 5.453 ( 6.651 1.087 0.432) 6.753 5.533 ( 2.534 -5.537 -1.953) 6.395 5.697 ( -1.539 2.336 0.356) 2.820 5.762 ( -1.908 -3.711 2.207) 4.721 6.303 ( 2.208 3.921 0.971) 4.603 6.385 ( -0.534 -4.598 2.717) 5.367 6.487 ( -2.533 4.534 -1.710) 5.468 6.539 ( -4.324 0.367 -4.880) 6.530 6.690 ( -7.601 5.243 -3.530) 9.886 6.834 ( 1.723 5.580 3.277) 6.697 6.903 ( -2.445 -6.801 -0.862) 7.278 6.963 ( 1.371 -5.251 -1.264) 5.572 7.110 ( 1.733 1.730 -1.183) 2.719 7.157 ( 2.061 0.244 0.251) 2.091 7.244 ( -0.778 -0.447 2.256) 2.428 7.301 ( -0.261 -4.131 0.081) 4.140 7.510 ( 0.090 4.468 2.976) 5.369 7.555 ( 0.901 0.912 2.797) 3.077 7.757 ( -6.880 5.385 -1.361) 8.842 7.870 ( -5.169 -4.342 -0.091) 6.751 8.011 ( 3.533 4.649 0.164) 5.842 8.072 ( 5.476 -1.069 1.170) 5.701 8.832 ( 0.404 8.207 -1.875) 8.428 9.011 ( -3.589 -5.280 -6.957) 9.443 9.128 ( -0.726 -1.076 -1.219) 1.780 9.192 ( -2.928 -4.599 -3.784) 6.636 9.516 ( 2.007 0.334 4.449) 4.893 9.587 ( -0.455 -4.300 0.397) 4.342 9.761 ( -3.624 -0.934 -6.733) 7.703 9.803 ( -4.351 -3.328 -7.673) 9.428 10.009 ( 1.417 -1.701 2.108) 3.057 10.023 ( 0.470 -2.693 0.754) 2.836 10.497 ( 0.130 6.597 1.314) 6.728 10.618 ( -3.194 -2.999 -3.351) 5.516 10.732 ( -1.297 1.624 -1.081) 2.343 10.825 ( -2.653 -5.048 -4.406) 7.207 11.030 ( 2.401 9.878 3.566) 10.773 11.062 ( -0.155 6.369 0.499) 6.390 11.409 ( 0.162 -1.763 3.402) 3.835 11.467 ( -1.449 -5.793 -0.046) 5.971 11.742 ( 15.245 15.538 25.017) 33.162 11.879 ( 7.596 10.280 12.557) 17.918 12.333 ( -5.859 31.292 -2.080) 31.903 12.753 ( 3.540 10.979 6.437) 13.210 12.810 ( -5.490 -5.856 -5.805) 9.906 13.081 ( 0.684 -9.054 -1.331) 9.177 13.319 ( 2.336 4.039 -1.822) 5.009 13.401 ( -2.809 1.820 -2.860) 4.403 13.639 ( 3.988 -0.789 3.218) 5.185 13.784 ( 2.294 -6.661 2.302) 7.411 14.178 ( -4.930 4.410 -10.939) 12.783 14.340 ( -4.366 -19.860 -10.230) 22.763 14.672 ( -13.013 -2.386 7.990) 15.456 14.745 ( -12.598 -9.713 4.349) 16.492 15.173 ( -9.550 -4.183 -15.658) 18.811 15.236 ( -7.819 -10.190 -14.648) 19.482 15.626 ( -3.000 -4.626 -4.412) 7.062 15.883 ( -8.046 -22.404 -11.351) 26.373 16.479 ( 14.167 17.642 15.924) 27.668 16.753 ( 7.908 -8.247 8.541) 14.265 16.829 ( 13.884 12.996 18.766) 26.717 17.086 ( 11.121 -11.516 15.206) 22.080 18.689 ( -7.266 11.321 -2.711) 13.722 18.843 ( -8.337 -2.409 -9.537) 12.895 19.015 ( -2.494 9.796 -5.148) 11.344 19.200 ( -3.793 -8.401 -9.095) 12.950 19.548 ( -1.726 9.937 8.379) 13.113 19.618 ( -2.277 3.186 5.240) 6.542 20.254 ( -1.702 7.139 -2.841) 7.870 20.364 ( -4.191 -2.965 -1.324) 5.302 20.647 ( 2.262 4.201 0.428) 4.791 20.737 ( 0.354 -3.594 2.997) 4.693 21.722 ( 9.896 -2.074 -1.734) 10.259 21.796 ( 13.176 -9.659 -3.846) 16.784 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.257 0.315 -3.070) 6.977 1.436 ( -7.880 -4.041 -3.487) 9.517 1.703 ( -3.197 -2.440 -0.990) 4.141 1.788 ( -3.240 -9.673 -0.980) 10.249 2.055 ( -0.113 6.180 -0.219) 6.185 2.113 ( 0.770 0.154 -0.927) 1.214 2.392 ( 0.788 0.171 0.739) 1.094 2.431 ( 0.316 -2.754 -0.711) 2.862 2.637 ( 1.232 3.595 -2.674) 4.647 2.720 ( 0.676 -4.024 -2.046) 4.565 2.812 ( -1.710 2.003 0.626) 2.707 2.834 ( -0.049 0.569 0.895) 1.062 2.926 ( 3.152 5.582 0.762) 6.455 3.007 ( -0.002 -1.343 1.892) 2.320 3.180 ( 0.317 0.686 0.019) 0.756 3.226 ( -0.320 -4.573 -0.963) 4.684 3.335 ( 4.394 1.629 2.607) 5.363 3.395 ( 2.759 -1.612 0.132) 3.198 3.510 ( 1.435 -0.583 0.165) 1.557 3.580 ( 0.910 -5.501 -0.368) 5.588 3.903 ( 0.471 2.838 -0.070) 2.877 3.949 ( 1.276 -0.272 1.089) 1.700 4.164 ( 4.435 11.156 6.430) 13.619 4.310 ( 0.342 10.082 3.233) 10.593 4.356 ( 1.078 4.601 4.568) 6.573 4.447 ( -2.765 8.055 -4.370) 9.572 4.506 ( 1.236 5.276 -0.004) 5.419 4.605 ( 5.560 -0.905 4.567) 7.252 4.754 ( -1.359 -5.308 1.712) 5.741 4.793 ( -3.322 -4.116 -6.494) 8.376 5.022 ( -0.185 2.571 1.410) 2.938 5.120 ( -0.492 -3.325 -3.352) 4.747 5.198 ( 0.220 -1.232 -4.041) 4.231 5.278 ( -3.171 -7.634 -4.211) 9.277 5.521 ( -0.913 1.471 1.317) 2.175 5.539 ( 1.496 0.330 0.767) 1.713 5.781 ( 5.876 -1.656 0.146) 6.107 5.809 ( 3.712 -3.939 2.275) 5.872 6.330 ( 0.611 -0.551 0.389) 0.911 6.356 ( -2.011 -4.145 2.505) 5.244 6.404 ( -3.414 0.312 -4.245) 5.456 6.423 ( -6.281 -1.230 -2.914) 7.033 6.593 ( -0.570 10.888 0.146) 10.904 6.803 ( -3.272 -4.115 -1.500) 5.467 6.902 ( 1.835 4.437 1.240) 4.959 7.036 ( 4.319 -4.033 -0.335) 5.919 7.147 ( 1.370 3.646 -0.062) 3.895 7.178 ( -1.719 0.870 0.804) 2.088 7.226 ( -0.098 2.042 2.081) 2.917 7.319 ( 1.402 -4.557 -0.411) 4.786 7.502 ( -0.499 4.283 1.198) 4.475 7.567 ( 0.605 0.916 1.821) 2.126 7.638 ( -3.867 3.555 -1.458) 5.451 7.757 ( -4.133 -8.165 -0.535) 9.167 8.086 ( 2.609 6.178 0.220) 6.710 8.153 ( 1.982 -0.479 0.368) 2.072 8.834 ( 0.838 4.533 1.101) 4.740 8.898 ( -4.923 0.077 -7.686) 9.128 9.152 ( 1.004 -5.897 1.359) 6.134 9.169 ( -0.077 -6.291 -0.280) 6.298 9.546 ( 0.951 0.301 3.093) 3.250 9.570 ( -0.955 -0.500 -2.118) 2.376 9.709 ( -1.466 -3.110 -2.306) 4.139 9.749 ( -0.743 -5.508 -2.724) 6.190 10.030 ( 0.515 -1.148 1.212) 1.748 10.033 ( 0.267 -1.268 0.037) 1.297 10.503 ( 0.194 5.390 2.085) 5.783 10.567 ( -1.426 1.019 -2.399) 2.971 10.725 ( 0.200 -2.734 1.380) 3.069 10.775 ( -1.597 -5.746 -3.589) 6.960 11.064 ( 0.638 10.624 -0.514) 10.656 11.068 ( 0.466 9.530 1.965) 9.742 11.415 ( 0.592 -4.533 4.045) 6.104 11.436 ( -1.273 -5.847 -3.312) 6.839 12.026 ( 6.088 24.628 7.460) 26.444 12.091 ( 17.296 17.950 27.044) 36.779 12.211 ( -4.777 27.555 -1.433) 28.002 12.485 ( -17.413 6.728 -25.777) 31.826 12.961 ( 7.340 -3.256 13.657) 15.843 13.102 ( 0.606 -9.646 -1.276) 9.749 13.329 ( -1.198 3.145 -4.896) 5.942 13.333 ( -2.509 3.809 -2.507) 5.205 13.719 ( 2.772 1.008 2.318) 3.751 13.833 ( 1.818 -7.440 2.269) 7.988 14.112 ( -2.138 -1.807 -6.319) 6.911 14.270 ( -1.274 -20.648 -9.726) 22.859 14.435 ( -6.914 -1.286 4.172) 8.177 14.555 ( -5.908 -15.955 6.113) 18.078 15.043 ( -3.138 2.152 -4.784) 6.113 15.132 ( -2.457 -5.762 -6.318) 8.897 15.610 ( 0.786 -13.761 1.193) 13.835 15.747 ( -4.404 -22.903 -6.554) 24.226 16.726 ( 9.002 11.663 10.502) 18.093 16.835 ( -0.283 1.470 -1.174) 1.903 17.051 ( 6.410 11.560 8.578) 15.757 17.238 ( 3.485 -6.294 4.537) 8.506 18.590 ( -2.017 8.049 0.183) 8.300 18.700 ( -4.492 -2.062 -6.013) 7.783 19.007 ( 1.409 4.005 1.689) 4.569 19.106 ( -4.445 -5.552 -8.036) 10.731 19.535 ( -0.008 9.324 3.506) 9.962 19.584 ( -0.942 4.602 1.699) 4.996 20.219 ( -1.100 4.958 -0.741) 5.132 20.296 ( -1.947 -2.299 -0.119) 3.015 20.686 ( 1.259 4.499 -0.033) 4.672 20.744 ( 0.080 -1.073 1.173) 1.592 21.866 ( 3.724 -0.516 -0.395) 3.780 21.983 ( 4.690 -11.797 -1.727) 12.812 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -7.483 0.000 28.881) 29.835 0.712 ( 12.345 0.000 32.487) 34.754 1.029 ( 22.057 0.000 44.298) 49.485 1.736 ( -1.494 0.000 -2.298) 2.741 2.004 ( 3.975 0.000 2.458) 4.674 2.009 ( 0.333 0.000 -3.913) 3.927 2.083 ( -3.937 0.000 3.489) 5.260 2.239 ( 11.466 0.000 -5.870) 12.881 2.465 ( -7.491 0.000 0.452) 7.504 2.524 ( 4.945 0.000 0.336) 4.957 2.668 ( -1.450 0.000 1.502) 2.087 2.817 ( -0.495 0.000 -3.022) 3.062 2.996 ( -5.429 0.000 -6.341) 8.347 3.058 ( -9.906 0.000 3.307) 10.443 3.075 ( 4.759 0.000 1.241) 4.918 3.169 ( 5.236 0.000 -0.699) 5.282 3.179 ( 0.121 0.000 -4.424) 4.426 3.318 ( 6.155 0.000 1.537) 6.344 3.589 ( 1.980 0.000 -6.415) 6.714 3.652 ( -5.903 0.000 -7.273) 9.367 3.754 ( 0.831 0.000 -0.639) 1.049 3.804 ( -4.331 0.000 -10.249) 11.126 4.009 ( -1.532 0.000 -2.414) 2.859 4.082 ( -1.387 0.000 0.385) 1.439 4.165 ( 7.086 0.000 8.709) 11.228 4.347 ( -2.135 0.000 -2.661) 3.412 4.565 ( -2.105 0.000 4.692) 5.142 4.580 ( -1.585 0.000 -1.715) 2.335 4.730 ( 3.579 0.000 5.101) 6.231 4.867 ( 4.479 0.000 4.790) 6.558 4.962 ( 1.656 0.000 3.485) 3.858 5.121 ( -3.538 0.000 -8.213) 8.942 5.358 ( -4.471 0.000 1.724) 4.792 5.385 ( -20.831 0.000 -2.529) 20.984 5.624 ( 0.740 0.000 -4.417) 4.479 5.818 ( -13.036 0.000 -3.041) 13.386 5.926 ( -9.533 0.000 -5.185) 10.852 6.038 ( -0.126 0.000 -6.724) 6.726 6.210 ( 8.499 0.000 5.139) 9.932 6.331 ( -4.800 0.000 0.833) 4.872 6.362 ( 6.048 0.000 6.027) 8.538 6.648 ( -1.596 0.000 2.221) 2.735 6.705 ( -1.490 0.000 1.225) 1.929 6.774 ( -2.062 0.000 -0.287) 2.082 6.779 ( 1.015 0.000 0.050) 1.016 6.828 ( -0.893 0.000 -1.681) 1.903 6.892 ( -1.628 0.000 -1.085) 1.956 7.131 ( 1.213 0.000 0.370) 1.268 7.247 ( -3.179 0.000 0.661) 3.247 7.316 ( -1.066 0.000 0.503) 1.179 7.396 ( -1.164 0.000 1.159) 1.642 7.440 ( 7.550 0.000 6.504) 9.965 7.753 ( 0.009 0.000 -0.786) 0.786 7.869 ( 0.973 0.000 -0.661) 1.176 7.939 ( -4.684 0.000 -3.292) 5.726 8.025 ( -3.260 0.000 -2.985) 4.420 8.809 ( 3.777 0.000 0.393) 3.797 8.977 ( 0.147 0.000 -0.294) 0.329 9.126 ( 0.036 0.000 -2.349) 2.349 9.180 ( 0.461 0.000 -1.822) 1.879 9.353 ( 4.193 0.000 4.717) 6.311 9.550 ( 7.382 0.000 9.600) 12.110 9.566 ( 9.946 0.000 14.993) 17.992 9.778 ( -1.875 0.000 -3.072) 3.599 10.130 ( -4.989 0.000 -4.674) 6.837 10.235 ( 2.721 0.000 3.197) 4.198 10.328 ( -1.383 0.000 0.105) 1.387 10.382 ( 2.046 0.000 -0.822) 2.205 10.551 ( -1.139 0.000 -4.466) 4.609 10.707 ( 1.053 0.000 -2.120) 2.367 10.830 ( 0.627 0.000 0.623) 0.884 10.888 ( 5.319 0.000 5.686) 7.786 11.061 ( 39.057 0.000 4.102) 39.272 11.485 ( 4.423 0.000 -4.324) 6.185 11.663 ( -25.238 0.000 -33.756) 42.148 11.723 ( 21.866 0.000 2.537) 22.013 11.990 ( 6.158 0.000 -1.912) 6.448 12.249 ( -20.635 0.000 -16.195) 26.231 12.780 ( 2.166 0.000 3.994) 4.543 12.966 ( 3.115 0.000 5.961) 6.725 13.188 ( 4.140 0.000 1.681) 4.468 13.364 ( 2.290 0.000 1.511) 2.743 13.457 ( 1.074 0.000 5.048) 5.161 13.745 ( 0.936 0.000 -1.501) 1.769 14.221 ( 13.579 0.000 18.338) 22.818 14.616 ( -2.576 0.000 11.715) 11.995 14.850 ( 3.785 0.000 4.449) 5.841 15.544 ( 2.641 0.000 -11.659) 11.955 15.761 ( 5.757 0.000 7.889) 9.766 16.055 ( -1.057 0.000 -0.185) 1.073 16.323 ( -14.280 0.000 -23.053) 27.118 16.793 ( -1.496 0.000 -0.944) 1.768 16.830 ( -3.078 0.000 -3.075) 4.351 16.989 ( 11.318 0.000 1.831) 11.465 17.423 ( -3.033 0.000 -3.829) 4.884 17.573 ( -3.720 0.000 -5.068) 6.287 17.889 ( 66.040 0.000 1.963) 66.069 18.174 ( 8.109 0.000 11.727) 14.257 18.232 ( 5.527 0.000 2.846) 6.217 18.526 ( 21.682 0.000 13.583) 25.585 18.845 ( -3.280 0.000 -5.449) 6.360 19.809 ( 3.010 0.000 -6.372) 7.047 19.902 ( -1.795 0.000 3.205) 3.674 20.226 ( 1.575 0.000 -2.731) 3.153 20.789 ( -10.965 0.000 2.224) 11.189 21.130 ( -9.216 0.000 -5.514) 10.739 21.603 ( 7.258 0.000 6.368) 9.655 22.401 ( -75.288 0.000 -3.087) 75.351 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 19.982 0.000 16.818) 26.118 1.070 ( 19.646 0.000 24.009) 31.022 1.625 ( -8.944 0.000 -1.582) 9.083 1.650 ( 31.300 0.000 30.807) 43.918 1.966 ( -6.898 0.000 3.963) 7.955 2.079 ( 3.584 0.000 -0.186) 3.589 2.126 ( 11.834 0.000 2.930) 12.192 2.322 ( -2.839 0.000 -0.867) 2.969 2.429 ( 3.179 0.000 -6.096) 6.875 2.604 ( -0.477 0.000 2.869) 2.908 2.673 ( 3.848 0.000 -2.807) 4.764 2.727 ( -5.915 0.000 -3.494) 6.869 2.882 ( -5.160 0.000 -2.573) 5.765 2.927 ( -3.302 0.000 -1.205) 3.515 3.100 ( -1.896 0.000 -3.535) 4.011 3.193 ( -3.392 0.000 -5.621) 6.565 3.279 ( 6.907 0.000 -1.161) 7.004 3.429 ( 4.237 0.000 3.233) 5.329 3.567 ( -2.139 0.000 -3.579) 4.169 3.602 ( -2.568 0.000 -10.342) 10.656 3.710 ( -3.369 0.000 -7.882) 8.572 3.770 ( 1.226 0.000 -4.224) 4.398 3.934 ( -7.160 0.000 -0.357) 7.169 4.032 ( -1.698 0.000 1.535) 2.289 4.266 ( 0.777 0.000 10.436) 10.465 4.403 ( 7.090 0.000 8.509) 11.075 4.503 ( -4.349 0.000 -14.601) 15.235 4.520 ( -0.617 0.000 -1.120) 1.279 4.809 ( 4.914 0.000 5.429) 7.322 4.865 ( -2.987 0.000 1.188) 3.215 5.061 ( -2.641 0.000 -1.090) 2.858 5.102 ( 5.846 0.000 9.847) 11.452 5.169 ( 5.398 0.000 -1.384) 5.572 5.282 ( -1.529 0.000 -0.714) 1.688 5.648 ( -0.603 0.000 -2.359) 2.434 5.771 ( 0.080 0.000 -7.286) 7.286 5.833 ( 1.091 0.000 2.954) 3.149 6.027 ( -1.027 0.000 -5.503) 5.598 6.234 ( -5.362 0.000 -0.844) 5.428 6.390 ( 7.789 0.000 3.244) 8.437 6.493 ( 5.822 0.000 4.457) 7.332 6.607 ( -1.442 0.000 -0.036) 1.443 6.681 ( -0.777 0.000 -0.596) 0.979 6.752 ( -0.124 0.000 4.249) 4.250 6.787 ( 0.521 0.000 3.885) 3.920 6.803 ( -1.368 0.000 -4.063) 4.287 6.884 ( 0.458 0.000 0.442) 0.637 7.166 ( 2.349 0.000 3.523) 4.234 7.192 ( -1.200 0.000 2.037) 2.364 7.275 ( -3.141 0.000 -2.937) 4.300 7.375 ( -0.859 0.000 1.057) 1.362 7.554 ( 1.437 0.000 4.283) 4.518 7.635 ( -8.907 0.000 -1.556) 9.042 7.854 ( -4.043 0.000 -3.584) 5.403 7.932 ( -1.548 0.000 -2.455) 2.903 7.996 ( 6.227 0.000 -1.882) 6.505 8.876 ( 3.460 0.000 -0.680) 3.527 8.981 ( 0.223 0.000 -0.584) 0.625 9.127 ( 0.189 0.000 -2.210) 2.218 9.167 ( -1.256 0.000 -1.084) 1.659 9.431 ( 3.156 0.000 3.557) 4.755 9.670 ( -2.070 0.000 -2.541) 3.277 9.722 ( 8.824 0.000 10.926) 14.044 9.915 ( 17.135 0.000 25.528) 30.746 10.018 ( -5.474 0.000 -7.751) 9.489 10.294 ( 1.716 0.000 3.218) 3.647 10.303 ( 0.175 0.000 -0.047) 0.181 10.385 ( -0.672 0.000 -1.550) 1.689 10.498 ( -2.658 0.000 -2.787) 3.852 10.698 ( -0.207 0.000 -1.788) 1.799 10.831 ( -1.085 0.000 -0.582) 1.231 10.970 ( 2.872 0.000 3.804) 4.766 11.098 ( -28.458 0.000 -37.221) 46.854 11.195 ( -3.924 0.000 -2.219) 4.508 11.516 ( -7.204 0.000 -11.927) 13.933 11.742 ( -14.217 0.000 1.328) 14.279 11.845 ( -8.602 0.000 -7.297) 11.280 12.126 ( -4.469 0.000 9.244) 10.268 12.804 ( 0.457 0.000 0.509) 0.684 13.068 ( 5.771 0.000 6.649) 8.805 13.265 ( 3.443 0.000 4.825) 5.928 13.386 ( 0.636 0.000 1.098) 1.269 13.480 ( 1.418 0.000 1.958) 2.417 13.656 ( -8.094 0.000 -11.254) 13.862 14.515 ( 11.806 0.000 17.202) 20.863 14.856 ( 24.167 0.000 18.460) 30.411 15.040 ( 13.487 0.000 19.634) 23.820 15.456 ( -12.745 0.000 -7.505) 14.790 15.649 ( -13.181 0.000 -17.789) 22.141 15.992 ( -18.620 0.000 -27.348) 33.085 16.210 ( 11.749 0.000 15.853) 19.732 16.691 ( -5.062 0.000 2.710) 5.742 16.760 ( -3.636 0.000 -4.401) 5.709 17.093 ( 1.436 0.000 -2.694) 3.053 17.337 ( -4.552 0.000 -6.145) 7.647 17.522 ( -1.278 0.000 -1.748) 2.165 18.119 ( -9.281 0.000 -9.451) 13.246 18.338 ( -2.330 0.000 10.676) 10.928 18.351 ( 8.765 0.000 12.401) 15.185 18.749 ( -6.038 0.000 -8.329) 10.287 19.148 ( 1.197 0.000 -1.945) 2.284 19.653 ( -30.931 0.000 32.489) 44.858 19.887 ( 0.335 0.000 1.417) 1.456 20.258 ( 1.410 0.000 -1.141) 1.814 20.535 ( 13.014 0.000 -13.863) 19.014 21.149 ( -17.339 0.000 5.991) 18.345 21.339 ( 27.095 0.000 -29.229) 39.856 22.231 ( 20.646 0.000 13.593) 24.719 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 20.499 0.000 5.189) 21.146 1.332 ( -5.281 0.000 2.498) 5.842 1.504 ( 6.483 0.000 11.426) 13.136 1.838 ( -2.517 0.000 2.792) 3.758 2.109 ( 11.936 0.000 10.850) 16.130 2.161 ( 3.328 0.000 -4.928) 5.947 2.317 ( 2.291 0.000 0.701) 2.396 2.383 ( -5.334 0.000 -7.616) 9.298 2.491 ( 16.966 0.000 8.632) 19.035 2.494 ( -8.966 0.000 -2.566) 9.326 2.709 ( 4.523 0.000 -0.630) 4.567 2.764 ( 3.744 0.000 -1.617) 4.079 2.801 ( -3.144 0.000 0.971) 3.290 2.891 ( 1.807 0.000 1.762) 2.524 3.026 ( -6.592 0.000 -7.849) 10.251 3.106 ( -2.996 0.000 -2.710) 4.040 3.396 ( 2.941 0.000 -0.025) 2.941 3.460 ( -5.375 0.000 -7.526) 9.248 3.490 ( -0.078 0.000 3.992) 3.993 3.507 ( -3.185 0.000 -2.330) 3.947 3.713 ( 2.671 0.000 -1.140) 2.904 3.782 ( -0.886 0.000 -6.270) 6.332 3.796 ( -3.198 0.000 -6.016) 6.813 4.031 ( 1.261 0.000 5.465) 5.608 4.189 ( -6.433 0.000 0.513) 6.453 4.417 ( -3.911 0.000 -12.633) 13.224 4.544 ( 1.083 0.000 -0.066) 1.085 4.562 ( 5.708 0.000 8.116) 9.922 4.819 ( -0.834 0.000 2.821) 2.942 4.959 ( 7.504 0.000 4.489) 8.745 5.036 ( 3.145 0.000 2.525) 4.033 5.192 ( -0.933 0.000 7.120) 7.181 5.262 ( 6.912 0.000 1.686) 7.114 5.377 ( 7.837 0.000 -6.575) 10.230 5.616 ( -1.505 0.000 -1.715) 2.281 5.725 ( -4.575 0.000 -4.443) 6.378 5.887 ( 0.518 0.000 4.411) 4.441 5.999 ( -1.537 0.000 -3.710) 4.016 6.170 ( 2.029 0.000 2.688) 3.368 6.488 ( 2.140 0.000 3.175) 3.829 6.552 ( -0.548 0.000 -3.662) 3.703 6.607 ( 0.792 0.000 -0.674) 1.040 6.687 ( 1.579 0.000 1.223) 1.997 6.768 ( 0.689 0.000 4.554) 4.606 6.769 ( -1.718 0.000 -2.416) 2.965 6.837 ( 3.751 0.000 9.157) 9.896 6.893 ( 0.457 0.000 0.074) 0.463 7.188 ( -4.715 0.000 -5.972) 7.609 7.212 ( 2.765 0.000 2.182) 3.522 7.233 ( 3.742 0.000 6.228) 7.266 7.328 ( -14.151 0.000 -7.052) 15.811 7.361 ( -0.481 0.000 0.581) 0.754 7.656 ( 4.186 0.000 5.890) 7.226 7.777 ( -2.909 0.000 -2.672) 3.950 7.885 ( -1.685 0.000 -1.220) 2.080 8.114 ( 2.533 0.000 -2.482) 3.546 8.940 ( 2.579 0.000 -2.356) 3.493 8.985 ( 0.215 0.000 -0.798) 0.826 9.136 ( 0.661 0.000 -1.203) 1.373 9.140 ( -1.300 0.000 -0.915) 1.590 9.465 ( -0.524 0.000 -2.116) 2.180 9.635 ( 0.089 0.000 0.625) 0.631 9.848 ( -1.162 0.000 -3.610) 3.792 9.961 ( 4.139 0.000 3.950) 5.721 10.243 ( 2.440 0.000 3.667) 4.405 10.309 ( 5.156 0.000 7.521) 9.119 10.353 ( -0.382 0.000 0.720) 0.815 10.354 ( -2.569 0.000 -2.525) 3.602 10.454 ( -1.865 0.000 -1.966) 2.710 10.588 ( -9.717 0.000 -10.638) 14.408 10.701 ( 0.126 0.000 -2.341) 2.344 10.751 ( -6.897 0.000 -7.901) 10.488 10.983 ( -1.504 0.000 -4.136) 4.401 11.106 ( -6.951 0.000 -5.410) 8.808 11.222 ( -8.450 0.000 -4.715) 9.676 11.627 ( -2.744 0.000 19.849) 20.038 11.722 ( -2.639 0.000 -1.912) 3.259 12.040 ( -2.631 0.000 11.664) 11.957 12.814 ( 0.792 0.000 -2.085) 2.230 13.145 ( 0.867 0.000 2.780) 2.912 13.323 ( -0.685 0.000 1.554) 1.698 13.400 ( 0.612 0.000 1.372) 1.503 13.507 ( -2.062 0.000 -3.916) 4.426 13.519 ( 2.056 0.000 1.098) 2.331 14.775 ( 13.806 0.000 17.275) 22.114 15.110 ( -16.995 0.000 -5.424) 17.839 15.322 ( -12.467 0.000 -15.492) 19.885 15.356 ( 11.261 0.000 15.842) 19.436 15.402 ( 24.345 0.000 22.731) 33.307 15.584 ( -18.560 0.000 -27.707) 33.349 16.376 ( 1.368 0.000 0.799) 1.584 16.627 ( -1.539 0.000 0.799) 1.734 16.707 ( 0.087 0.000 0.770) 0.775 17.081 ( -2.055 0.000 -1.001) 2.286 17.278 ( -0.362 0.000 -0.308) 0.475 17.510 ( -0.039 0.000 -0.063) 0.074 17.875 ( -13.741 0.000 -17.681) 22.393 18.245 ( -2.413 0.000 23.103) 23.228 18.520 ( 6.475 0.000 8.725) 10.865 18.606 ( -6.691 0.000 -8.563) 10.867 19.069 ( -8.909 0.000 -17.284) 19.444 19.419 ( 3.824 0.000 28.316) 28.573 19.910 ( 1.690 0.000 -0.525) 1.770 20.279 ( 0.612 0.000 0.537) 0.814 20.576 ( -4.108 0.000 -4.074) 5.786 20.931 ( -6.343 0.000 7.043) 9.478 21.785 ( 13.414 0.000 -33.672) 36.245 22.625 ( 16.637 0.000 12.104) 20.574 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.219 0.000 0.481) 6.238 1.528 ( -4.001 0.000 3.821) 5.533 1.568 ( 11.284 0.000 -2.441) 11.545 1.966 ( 8.580 0.000 -1.545) 8.718 2.115 ( -7.227 0.000 -5.946) 9.359 2.177 ( -4.165 0.000 3.353) 5.347 2.274 ( -4.611 0.000 -5.813) 7.420 2.358 ( -2.214 0.000 -0.720) 2.329 2.409 ( 4.290 0.000 0.185) 4.294 2.572 ( -4.816 0.000 -0.344) 4.829 2.738 ( -2.592 0.000 0.889) 2.740 2.769 ( -7.790 0.000 -3.950) 8.734 2.827 ( 2.582 0.000 -1.523) 2.998 2.847 ( 2.739 0.000 -9.128) 9.530 3.085 ( 0.640 0.000 1.723) 1.838 3.095 ( 9.375 0.000 6.828) 11.597 3.323 ( -3.665 0.000 -7.404) 8.262 3.472 ( -0.636 0.000 0.565) 0.851 3.494 ( 2.516 0.000 3.645) 4.429 3.519 ( 1.711 0.000 2.991) 3.446 3.735 ( -0.105 0.000 0.139) 0.175 3.761 ( 1.216 0.000 -0.336) 1.261 3.844 ( 5.661 0.000 -1.221) 5.791 4.072 ( -3.697 0.000 -3.707) 5.235 4.089 ( 4.666 0.000 8.056) 9.309 4.329 ( -4.597 0.000 -10.484) 11.448 4.520 ( -3.279 0.000 -5.228) 6.171 4.626 ( 1.655 0.000 3.608) 3.970 4.830 ( 1.168 0.000 7.785) 7.872 4.975 ( -2.063 0.000 -3.640) 4.184 5.190 ( 0.923 0.000 7.089) 7.149 5.222 ( 6.529 0.000 9.414) 11.456 5.390 ( 6.733 0.000 -0.264) 6.738 5.525 ( 5.946 0.000 -5.470) 8.079 5.595 ( -4.538 0.000 3.409) 5.676 5.615 ( 0.064 0.000 -4.618) 4.618 5.878 ( 0.918 0.000 5.561) 5.637 5.975 ( -0.399 0.000 -1.775) 1.820 6.282 ( 5.631 0.000 3.400) 6.578 6.497 ( -4.349 0.000 -6.895) 8.152 6.516 ( -2.492 0.000 2.201) 3.325 6.567 ( -2.227 0.000 -0.961) 2.425 6.729 ( 1.608 0.000 2.953) 3.362 6.736 ( -0.769 0.000 -2.277) 2.403 6.786 ( 2.590 0.000 8.402) 8.792 6.893 ( 1.371 0.000 2.018) 2.440 6.914 ( 0.737 0.000 8.660) 8.692 7.091 ( -7.310 0.000 -9.340) 11.861 7.097 ( -3.280 0.000 -6.236) 7.046 7.310 ( 5.839 0.000 3.941) 7.044 7.312 ( 3.397 0.000 6.403) 7.249 7.360 ( 0.609 0.000 0.201) 0.642 7.696 ( -0.734 0.000 0.240) 0.772 7.737 ( -3.272 0.000 -3.051) 4.474 7.900 ( 3.900 0.000 3.987) 5.577 8.109 ( -0.823 0.000 -3.187) 3.292 8.966 ( -0.560 0.000 -4.230) 4.266 8.988 ( 0.030 0.000 -0.892) 0.893 9.115 ( -1.045 0.000 -1.838) 2.114 9.153 ( 0.969 0.000 -0.238) 0.998 9.412 ( -3.799 0.000 -6.965) 7.933 9.678 ( 3.211 0.000 4.700) 5.692 9.750 ( -5.993 0.000 -11.342) 12.828 9.932 ( -21.774 0.000 -29.115) 36.357 10.093 ( 5.242 0.000 8.095) 9.644 10.240 ( -1.653 0.000 -3.574) 3.938 10.251 ( -7.085 0.000 -11.911) 13.859 10.386 ( 1.282 0.000 3.241) 3.486 10.419 ( -0.986 0.000 -1.863) 2.108 10.613 ( -3.606 0.000 -6.381) 7.330 10.715 ( 0.474 0.000 -1.820) 1.881 10.922 ( -5.940 0.000 -2.939) 6.628 10.950 ( 26.292 0.000 38.704) 46.789 10.961 ( -2.282 0.000 -5.278) 5.750 11.207 ( 2.094 0.000 6.520) 6.848 11.596 ( -0.229 0.000 6.113) 6.117 11.736 ( 3.849 0.000 12.731) 13.300 12.013 ( -0.195 0.000 10.758) 10.760 12.842 ( 1.975 0.000 -4.393) 4.816 13.118 ( -2.820 0.000 3.588) 4.563 13.195 ( -8.004 0.000 -11.194) 13.762 13.402 ( -0.562 0.000 0.611) 0.830 13.542 ( -0.448 0.000 0.244) 0.510 13.599 ( 6.111 0.000 7.434) 9.623 14.743 ( -16.587 0.000 -8.259) 18.530 14.991 ( -14.387 0.000 -20.982) 25.441 15.080 ( 12.347 0.000 18.304) 22.079 15.249 ( -9.856 0.000 -20.366) 22.625 15.660 ( 13.462 0.000 20.661) 24.660 15.911 ( 22.794 0.000 24.912) 33.766 16.250 ( -10.982 0.000 -16.178) 19.553 16.608 ( -0.802 0.000 -1.610) 1.799 16.767 ( 3.923 0.000 6.219) 7.353 17.031 ( -2.481 0.000 -1.720) 3.019 17.328 ( 4.544 0.000 6.723) 8.115 17.519 ( 0.969 0.000 1.387) 1.692 17.576 ( -14.787 0.000 -21.164) 25.818 18.261 ( 2.844 0.000 18.184) 18.405 18.412 ( -9.225 0.000 -12.130) 15.240 18.681 ( 6.348 0.000 8.210) 10.378 18.796 ( -15.966 0.000 -26.129) 30.621 19.619 ( 12.346 0.000 22.888) 26.006 19.949 ( 1.919 0.000 -1.675) 2.547 20.279 ( -0.776 0.000 1.564) 1.746 20.499 ( -2.162 0.000 -1.463) 2.610 20.825 ( -4.694 0.000 6.970) 8.403 21.929 ( 2.095 0.000 -25.312) 25.398 22.913 ( 11.666 0.000 12.770) 17.297 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.894 0.000 -0.116) 0.902 1.411 ( -7.458 0.000 -1.942) 7.707 1.618 ( -10.399 0.000 -11.241) 15.313 1.888 ( -4.097 0.000 1.026) 4.224 1.940 ( -12.546 0.000 3.285) 12.969 2.194 ( 5.034 0.000 -4.985) 7.084 2.234 ( 0.098 0.000 -4.674) 4.675 2.319 ( -1.381 0.000 -1.355) 1.935 2.398 ( -7.314 0.000 0.191) 7.317 2.499 ( -0.515 0.000 0.829) 0.976 2.707 ( -0.311 0.000 -0.095) 0.325 2.711 ( 2.408 0.000 -4.680) 5.263 2.863 ( 0.865 0.000 -1.057) 1.366 2.871 ( -2.100 0.000 2.233) 3.065 3.139 ( -3.956 0.000 -5.194) 6.528 3.142 ( 4.515 0.000 3.606) 5.778 3.271 ( 0.190 0.000 -2.366) 2.374 3.410 ( -4.596 0.000 -10.544) 11.502 3.557 ( 1.888 0.000 4.717) 5.081 3.563 ( 2.328 0.000 2.234) 3.226 3.780 ( 3.052 0.000 1.744) 3.515 3.788 ( 3.346 0.000 2.616) 4.247 3.952 ( 3.432 0.000 2.898) 4.492 4.054 ( 1.088 0.000 -2.834) 3.035 4.227 ( 1.336 0.000 0.672) 1.495 4.242 ( 2.921 0.000 6.532) 7.155 4.437 ( -3.785 0.000 -8.013) 8.863 4.652 ( 0.689 0.000 0.023) 0.689 4.837 ( -0.892 0.000 8.190) 8.239 4.911 ( -4.019 0.000 -2.559) 4.765 5.231 ( 2.828 0.000 6.087) 6.712 5.235 ( -3.663 0.000 -0.509) 3.699 5.450 ( -1.791 0.000 -4.876) 5.194 5.503 ( -1.999 0.000 3.815) 4.307 5.593 ( 0.249 0.000 -2.406) 2.419 5.738 ( 7.965 0.000 7.344) 10.834 5.983 ( 9.956 0.000 7.091) 12.223 5.998 ( 2.822 0.000 -2.453) 3.739 6.364 ( 2.901 0.000 6.303) 6.938 6.377 ( -7.026 0.000 -7.151) 10.025 6.379 ( -4.388 0.000 -3.705) 5.743 6.625 ( 3.962 0.000 2.478) 4.673 6.714 ( -0.465 0.000 0.155) 0.490 6.773 ( 1.627 0.000 2.302) 2.819 6.810 ( -2.666 0.000 5.548) 6.155 6.883 ( -2.105 0.000 1.644) 2.671 6.930 ( 1.451 0.000 3.955) 4.212 7.012 ( -1.062 0.000 -5.745) 5.843 7.064 ( -0.300 0.000 -1.425) 1.456 7.352 ( 0.629 0.000 3.317) 3.376 7.392 ( 1.990 0.000 1.621) 2.567 7.453 ( 7.498 0.000 6.218) 9.741 7.581 ( -7.551 0.000 -5.100) 9.112 7.730 ( 2.959 0.000 -1.310) 3.236 7.970 ( 2.462 0.000 3.714) 4.456 8.122 ( 0.197 0.000 -3.028) 3.035 8.926 ( -2.921 0.000 -5.164) 5.933 8.986 ( -0.172 0.000 -0.804) 0.822 9.085 ( -1.843 0.000 -4.222) 4.607 9.169 ( 0.156 0.000 -0.865) 0.879 9.327 ( -4.141 0.000 -7.652) 8.701 9.556 ( -12.794 0.000 -18.184) 22.234 9.618 ( -6.715 0.000 -10.304) 12.299 9.755 ( 3.158 0.000 3.786) 4.930 10.037 ( -7.607 0.000 -14.409) 16.294 10.208 ( -1.443 0.000 -3.586) 3.866 10.227 ( 2.379 0.000 3.857) 4.532 10.397 ( -0.157 0.000 2.853) 2.857 10.415 ( 0.392 0.000 -0.588) 0.707 10.587 ( 0.285 0.000 1.137) 1.172 10.726 ( 0.624 0.000 -1.989) 2.085 10.818 ( -3.822 0.000 -3.511) 5.190 10.933 ( -1.210 0.000 -1.767) 2.142 11.268 ( 3.805 0.000 6.003) 7.107 11.500 ( 25.974 0.000 37.285) 45.440 11.591 ( -0.669 0.000 -5.036) 5.080 11.873 ( 7.133 0.000 10.873) 13.004 12.058 ( 6.727 0.000 20.283) 21.369 12.878 ( 0.321 0.000 -7.572) 7.579 13.051 ( -3.550 0.000 4.857) 6.016 13.063 ( -3.475 0.000 -7.630) 8.384 13.376 ( -1.841 0.000 -1.327) 2.270 13.488 ( -4.486 0.000 -0.764) 4.551 13.650 ( -2.087 0.000 -5.794) 6.159 14.424 ( -14.228 0.000 -9.094) 16.886 14.796 ( -3.387 0.000 -6.017) 6.905 15.026 ( -6.072 0.000 -10.245) 11.909 15.435 ( 15.416 0.000 21.244) 26.248 15.830 ( -2.090 0.000 -2.156) 3.003 16.053 ( -2.474 0.000 -2.837) 3.765 16.329 ( 17.274 0.000 22.796) 28.601 16.567 ( -3.933 0.000 -5.921) 7.108 16.838 ( 2.892 0.000 4.982) 5.761 16.982 ( -2.486 0.000 -6.839) 7.277 17.300 ( -10.804 0.000 -16.132) 19.416 17.422 ( 3.565 0.000 5.618) 6.654 17.559 ( 3.169 0.000 4.519) 5.519 18.222 ( -8.936 0.000 -11.760) 14.770 18.314 ( -0.631 0.000 6.013) 6.046 18.475 ( -11.827 0.000 -17.320) 20.973 18.793 ( 4.500 0.000 5.053) 6.766 19.863 ( 10.088 0.000 17.730) 20.399 19.983 ( 1.291 0.000 -1.312) 1.841 20.248 ( -2.091 0.000 1.274) 2.448 20.506 ( 3.301 0.000 -1.522) 3.635 20.743 ( -2.776 0.000 3.535) 4.495 21.902 ( -4.166 0.000 -19.686) 20.122 23.117 ( 8.469 0.000 11.861) 14.574 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -15.898 0.000 1.678) 15.986 1.180 ( -25.768 0.000 -4.723) 26.197 1.430 ( 10.106 0.000 2.161) 10.335 1.724 ( -16.335 0.000 12.873) 20.798 1.903 ( 2.877 0.000 3.153) 4.268 2.127 ( -11.081 0.000 -4.372) 11.912 2.177 ( -3.223 0.000 -1.520) 3.564 2.225 ( -4.310 0.000 -0.493) 4.339 2.363 ( 3.607 0.000 -3.595) 5.092 2.539 ( 4.164 0.000 -3.739) 5.597 2.717 ( 0.489 0.000 -0.614) 0.785 2.763 ( -2.652 0.000 1.210) 2.915 2.857 ( 7.202 0.000 -0.795) 7.245 2.893 ( 3.173 0.000 0.151) 3.176 3.110 ( 1.605 0.000 -5.435) 5.667 3.197 ( -0.722 0.000 -2.458) 2.562 3.241 ( -5.496 0.000 -0.771) 5.550 3.327 ( -1.573 0.000 -8.137) 8.288 3.585 ( 0.562 0.000 2.001) 2.079 3.621 ( 5.063 0.000 3.170) 5.973 3.789 ( -2.539 0.000 -1.156) 2.790 3.875 ( 2.595 0.000 1.540) 3.018 4.014 ( 2.901 0.000 -2.116) 3.590 4.065 ( -0.701 0.000 -6.111) 6.151 4.151 ( -3.395 0.000 -3.090) 4.591 4.397 ( 6.554 0.000 16.742) 17.979 4.422 ( 3.483 0.000 -0.808) 3.576 4.648 ( -1.745 0.000 -2.224) 2.827 4.783 ( -8.571 0.000 -5.678) 10.281 4.800 ( -2.187 0.000 6.109) 6.488 5.118 ( -5.936 0.000 0.310) 5.944 5.284 ( 1.376 0.000 1.881) 2.331 5.421 ( 0.884 0.000 3.844) 3.944 5.520 ( 2.494 0.000 -5.195) 5.763 5.539 ( -4.735 0.000 2.282) 5.256 5.878 ( 6.234 0.000 9.488) 11.353 6.067 ( 2.406 0.000 -8.823) 9.145 6.195 ( 6.520 0.000 4.022) 7.661 6.243 ( -4.306 0.000 -1.143) 4.455 6.335 ( -1.298 0.000 -3.870) 4.082 6.457 ( 5.148 0.000 6.209) 8.066 6.661 ( -4.383 0.000 -2.895) 5.253 6.716 ( 0.616 0.000 0.564) 0.835 6.743 ( 3.053 0.000 8.578) 9.105 6.783 ( -0.803 0.000 2.497) 2.623 6.852 ( -0.793 0.000 2.179) 2.319 6.947 ( 0.081 0.000 0.218) 0.232 7.031 ( 4.649 0.000 -0.496) 4.675 7.077 ( 1.428 0.000 -0.096) 1.431 7.348 ( -0.839 0.000 1.991) 2.161 7.420 ( 0.562 0.000 1.385) 1.495 7.466 ( -3.334 0.000 -4.715) 5.775 7.594 ( 4.820 0.000 2.406) 5.387 7.834 ( 5.879 0.000 2.542) 6.405 8.015 ( 1.835 0.000 1.493) 2.366 8.067 ( -4.317 0.000 -5.034) 6.631 8.812 ( -8.577 0.000 -7.704) 11.529 8.982 ( -0.288 0.000 -0.568) 0.637 9.087 ( 2.467 0.000 -2.282) 3.361 9.139 ( -2.318 0.000 -4.760) 5.295 9.274 ( -0.653 0.000 -2.611) 2.691 9.406 ( -2.408 0.000 -4.956) 5.510 9.488 ( -5.244 0.000 -5.883) 7.881 9.808 ( 1.625 0.000 1.564) 2.255 9.884 ( -7.029 0.000 -11.460) 13.444 10.185 ( -0.527 0.000 -1.973) 2.042 10.247 ( -0.402 0.000 3.344) 3.368 10.383 ( -1.086 0.000 2.167) 2.424 10.424 ( 0.154 0.000 -0.606) 0.625 10.610 ( 1.572 0.000 3.168) 3.537 10.739 ( 0.464 0.000 -1.439) 1.512 10.765 ( -0.924 0.000 -3.513) 3.633 10.902 ( -1.942 0.000 0.212) 1.954 11.363 ( 5.302 0.000 5.519) 7.653 11.564 ( -1.962 0.000 -6.123) 6.429 11.947 ( 1.413 0.000 0.929) 1.691 11.959 ( 16.548 0.000 23.403) 28.662 12.323 ( 15.285 0.000 21.769) 26.599 12.813 ( -5.586 0.000 -9.012) 10.603 12.984 ( -2.698 0.000 5.177) 5.838 13.069 ( 2.064 0.000 -4.484) 4.936 13.316 ( -4.110 0.000 -4.011) 5.743 13.414 ( -1.116 0.000 3.019) 3.218 13.570 ( -2.291 0.000 -10.888) 11.126 14.171 ( -9.899 0.000 -6.173) 11.666 14.827 ( 4.019 0.000 4.630) 6.131 14.913 ( -6.013 0.000 0.979) 6.093 15.645 ( -9.029 0.000 -12.004) 15.020 15.717 ( 9.631 0.000 16.964) 19.507 16.114 ( 3.107 0.000 5.759) 6.544 16.417 ( -7.940 0.000 -9.636) 12.486 16.594 ( 6.129 0.000 8.064) 10.129 16.882 ( 1.220 0.000 3.069) 3.302 16.929 ( -2.145 0.000 -8.870) 9.125 17.177 ( -1.170 0.000 -1.644) 2.018 17.463 ( 0.730 0.000 1.817) 1.958 17.635 ( 3.194 0.000 4.500) 5.518 18.067 ( -5.284 0.000 -6.735) 8.561 18.139 ( -8.616 0.000 -11.226) 14.151 18.443 ( 2.083 0.000 6.520) 6.845 18.863 ( 2.238 0.000 1.496) 2.692 19.970 ( -0.509 0.000 13.396) 13.406 19.992 ( -0.719 0.000 1.252) 1.444 20.206 ( -1.465 0.000 -1.067) 1.813 20.673 ( 13.750 0.000 -1.945) 13.887 20.730 ( 1.537 0.000 -0.555) 1.634 21.769 ( -8.449 0.000 -14.879) 17.111 23.268 ( 5.979 0.000 6.772) 9.033 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -9.020 0.000 21.035) 22.887 0.746 ( -11.681 0.000 22.572) 25.416 1.203 ( -28.747 0.000 24.028) 37.466 1.659 ( 9.374 0.000 1.486) 9.491 1.938 ( 1.333 0.000 -1.285) 1.851 2.049 ( 0.204 0.000 -7.845) 7.848 2.114 ( -3.638 0.000 -0.144) 3.641 2.134 ( -1.431 0.000 4.380) 4.608 2.437 ( 3.784 0.000 -2.080) 4.318 2.591 ( -2.662 0.000 -1.542) 3.076 2.703 ( -1.627 0.000 1.047) 1.935 2.743 ( 3.760 0.000 0.142) 3.763 3.003 ( 6.432 0.000 -1.238) 6.550 3.056 ( 7.422 0.000 -0.987) 7.487 3.095 ( -2.567 0.000 -2.489) 3.575 3.130 ( -4.195 0.000 -5.296) 6.756 3.178 ( 2.091 0.000 -1.069) 2.348 3.293 ( -3.441 0.000 -3.058) 4.604 3.578 ( -0.750 0.000 -1.399) 1.588 3.724 ( 1.644 0.000 1.078) 1.966 3.736 ( -0.884 0.000 -1.344) 1.608 3.864 ( -2.169 0.000 -7.854) 8.148 4.040 ( -0.831 0.000 -5.375) 5.439 4.058 ( 1.759 0.000 -1.957) 2.631 4.101 ( -1.295 0.000 0.061) 1.297 4.469 ( -6.390 0.000 0.691) 6.427 4.541 ( 2.079 0.000 1.962) 2.859 4.541 ( 4.622 0.000 6.573) 8.035 4.698 ( -0.352 0.000 4.125) 4.140 4.779 ( 1.319 0.000 3.585) 3.819 5.014 ( -4.601 0.000 1.508) 4.842 5.243 ( -5.602 0.000 -5.441) 7.810 5.444 ( -4.038 0.000 4.373) 5.952 5.470 ( 2.746 0.000 1.154) 2.979 5.585 ( 3.445 0.000 -5.127) 6.177 6.010 ( 6.341 0.000 8.907) 10.934 6.053 ( -1.761 0.000 -10.566) 10.712 6.149 ( -10.436 0.000 -4.818) 11.495 6.250 ( -6.274 0.000 -12.032) 13.570 6.257 ( 4.055 0.000 4.996) 6.435 6.486 ( -4.793 0.000 -2.923) 5.614 6.647 ( 1.468 0.000 0.859) 1.701 6.732 ( -0.032 0.000 1.138) 1.139 6.758 ( -0.377 0.000 2.084) 2.118 6.819 ( 0.891 0.000 -0.527) 1.035 6.841 ( -0.494 0.000 0.763) 0.909 6.933 ( -1.573 0.000 -2.357) 2.833 7.107 ( 1.273 0.000 -0.728) 1.466 7.222 ( 8.813 0.000 3.910) 9.641 7.331 ( -0.678 0.000 2.015) 2.126 7.399 ( -3.762 0.000 -5.271) 6.476 7.417 ( -0.734 0.000 1.273) 1.469 7.655 ( 4.290 0.000 0.594) 4.331 7.886 ( -0.718 0.000 -0.290) 0.774 8.028 ( -1.691 0.000 -2.534) 3.046 8.053 ( 1.798 0.000 0.881) 2.002 8.678 ( 1.676 0.000 5.876) 6.111 8.976 ( -0.142 0.000 -0.283) 0.316 9.120 ( 0.340 0.000 -1.724) 1.758 9.143 ( 2.355 0.000 -1.120) 2.608 9.283 ( 1.814 0.000 0.924) 2.035 9.425 ( 3.813 0.000 4.831) 6.155 9.443 ( 1.890 0.000 3.290) 3.794 9.815 ( -0.970 0.000 -2.169) 2.376 9.860 ( 14.282 0.000 16.162) 21.568 10.192 ( 1.277 0.000 1.052) 1.654 10.214 ( -2.850 0.000 -0.137) 2.853 10.357 ( -1.425 0.000 1.222) 1.877 10.425 ( 0.529 0.000 -0.191) 0.563 10.619 ( -0.936 0.000 -2.073) 2.274 10.747 ( 0.382 0.000 -0.418) 0.567 10.790 ( 2.851 0.000 2.013) 3.490 10.862 ( -1.301 0.000 1.849) 2.261 11.470 ( 3.283 0.000 2.492) 4.121 11.523 ( 0.241 0.000 -1.904) 1.919 11.964 ( 0.419 0.000 -0.452) 0.616 12.054 ( -9.420 0.000 -13.093) 16.130 12.503 ( -1.625 0.000 -1.063) 1.942 12.736 ( 0.219 0.000 1.406) 1.423 12.947 ( -0.790 0.000 4.832) 4.896 13.111 ( 2.767 0.000 -1.455) 3.127 13.289 ( 2.877 0.000 2.746) 3.977 13.431 ( 1.761 0.000 5.383) 5.663 13.635 ( 7.208 0.000 1.044) 7.284 14.063 ( 0.948 0.000 4.765) 4.858 14.762 ( -8.329 0.000 7.567) 11.253 14.857 ( -1.683 0.000 -3.163) 3.583 15.595 ( 5.065 0.000 7.483) 9.036 15.674 ( -12.807 0.000 -13.069) 18.298 16.124 ( -2.288 0.000 -1.595) 2.789 16.450 ( 14.286 0.000 16.343) 21.707 16.577 ( -6.146 0.000 -7.809) 9.937 16.880 ( -1.468 0.000 -0.462) 1.539 16.898 ( -1.138 0.000 -1.379) 1.788 17.227 ( 6.776 0.000 4.781) 8.293 17.460 ( -0.892 0.000 -0.551) 1.049 17.647 ( -2.322 0.000 -3.192) 3.947 18.045 ( 3.416 0.000 5.322) 6.323 18.093 ( 4.223 0.000 6.414) 7.679 18.463 ( -0.374 0.000 3.663) 3.682 18.883 ( -0.372 0.000 -2.093) 2.126 19.885 ( -6.069 0.000 4.620) 7.627 19.952 ( -2.733 0.000 3.623) 4.538 20.200 ( 0.744 0.000 -3.202) 3.287 20.785 ( 3.190 0.000 -0.369) 3.211 21.033 ( 18.569 0.000 -1.333) 18.617 21.572 ( -9.353 0.000 -8.277) 12.490 23.295 ( -8.803 0.000 -12.613) 15.381 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -6.190 14.080 21.616) 26.530 0.989 ( 8.440 24.204 19.673) 32.313 1.582 ( 10.958 33.783 16.194) 39.033 1.894 ( -0.103 13.148 2.631) 13.409 1.951 ( -0.456 0.078 -3.079) 3.113 2.194 ( -0.874 8.918 0.158) 8.962 2.283 ( 6.735 5.876 -1.104) 9.006 2.322 ( 1.269 17.323 -0.676) 17.383 2.491 ( -4.768 4.135 -0.941) 6.381 2.570 ( 0.469 -0.815 -2.019) 2.227 2.736 ( -0.828 5.524 -2.378) 6.071 2.886 ( 0.708 3.691 -0.882) 3.861 2.938 ( -2.994 -5.034 -5.860) 8.285 3.025 ( -3.698 -2.038 2.964) 5.159 3.090 ( 2.365 2.845 2.246) 4.328 3.105 ( 1.890 -2.880 -2.144) 4.057 3.243 ( -1.422 -0.223 -5.391) 5.580 3.270 ( 3.249 -3.412 0.989) 4.814 3.390 ( -5.077 -13.350 -5.391) 15.267 3.643 ( -2.278 -3.018 -7.039) 7.990 3.658 ( -1.218 -2.899 -7.497) 8.130 3.781 ( 3.817 -2.282 3.483) 5.649 3.986 ( 2.289 -5.761 4.750) 7.810 4.030 ( 1.560 -1.679 3.079) 3.839 4.221 ( 1.314 2.996 0.599) 3.326 4.273 ( 1.467 -6.364 4.463) 7.910 4.451 ( -0.776 -1.531 -3.122) 3.562 4.656 ( -0.243 5.030 0.326) 5.047 4.830 ( -0.458 6.268 -0.770) 6.332 4.921 ( -5.568 -4.158 0.604) 6.975 4.999 ( 10.300 3.280 1.399) 10.900 5.036 ( -5.173 -0.219 -0.303) 5.187 5.291 ( -5.018 -5.835 1.473) 7.836 5.330 ( -7.247 -2.252 2.782) 8.082 5.564 ( -0.569 -3.603 -4.538) 5.822 5.748 ( -4.844 -6.612 0.100) 8.197 5.806 ( -5.294 -8.255 -4.530) 10.802 5.997 ( 1.622 -4.593 0.825) 4.941 6.178 ( 2.689 0.749 1.184) 3.032 6.340 ( -0.254 0.613 -0.843) 1.073 6.502 ( 3.386 9.014 1.702) 9.779 6.558 ( -1.848 -4.083 1.618) 4.765 6.590 ( -0.988 -3.043 -1.830) 3.686 6.832 ( 0.658 5.538 3.174) 6.417 6.864 ( 0.089 2.013 -3.188) 3.771 6.911 ( -1.300 6.266 -0.059) 6.400 7.011 ( 2.348 3.870 3.662) 5.822 7.169 ( -4.117 -3.040 -0.764) 5.174 7.255 ( 1.521 9.106 0.263) 9.236 7.320 ( -1.188 0.345 0.323) 1.279 7.383 ( -3.065 1.598 -1.311) 3.697 7.533 ( 5.640 4.619 4.293) 8.460 7.689 ( 1.365 -4.313 2.182) 5.022 7.853 ( -0.430 -1.335 0.073) 1.404 7.928 ( -3.858 -0.065 -4.163) 5.676 8.027 ( -2.903 1.238 -2.880) 4.272 8.670 ( 4.277 -5.531 3.966) 8.038 9.106 ( -1.405 -2.905 -2.709) 4.214 9.178 ( 0.365 10.389 -0.631) 10.414 9.290 ( -1.162 8.440 -4.074) 9.444 9.526 ( 6.814 -1.099 8.707) 11.111 9.527 ( 3.823 3.159 6.199) 7.939 9.702 ( -1.260 11.627 -2.910) 12.051 9.883 ( 1.382 13.178 3.767) 13.775 10.066 ( -1.627 -6.795 -1.772) 7.209 10.183 ( 1.935 -3.304 2.571) 4.612 10.221 ( 1.048 -4.603 2.114) 5.173 10.433 ( 0.169 2.959 -1.256) 3.219 10.571 ( -3.815 2.096 -5.043) 6.661 10.790 ( 0.073 4.839 -0.095) 4.841 10.822 ( 2.173 -0.617 2.177) 3.137 10.965 ( 2.535 7.861 4.022) 9.187 11.255 ( 12.370 10.372 -7.444) 17.777 11.374 ( -13.768 -7.701 -14.682) 21.551 11.519 ( -1.140 -5.139 -12.293) 13.373 11.735 ( 11.995 0.278 0.403) 12.005 11.910 ( 2.419 -4.866 2.022) 5.798 12.529 ( -19.787 19.882 -21.692) 35.459 12.792 ( 6.231 -0.627 7.859) 10.049 12.994 ( 6.190 -1.477 10.728) 12.474 13.215 ( 4.781 4.951 5.957) 9.102 13.341 ( 1.913 -1.457 -0.028) 2.405 13.419 ( 0.013 1.899 1.740) 2.576 13.675 ( 0.642 -5.575 -2.733) 6.242 14.225 ( 4.110 0.563 9.225) 10.114 14.667 ( -2.929 5.629 6.175) 8.854 15.124 ( 8.694 20.613 9.599) 24.343 15.458 ( 6.601 -5.998 -11.251) 14.357 15.771 ( -3.552 -2.068 -4.659) 6.213 16.014 ( -11.210 -18.795 -13.090) 25.501 16.133 ( 8.045 -19.236 11.767) 23.942 16.503 ( -2.800 -25.859 -3.141) 26.199 16.709 ( -0.700 -14.833 0.297) 14.853 16.733 ( -1.173 -3.057 -10.600) 11.094 17.018 ( 0.126 -24.654 -1.348) 24.692 17.412 ( -1.629 -8.366 -2.492) 8.880 18.248 ( 19.734 17.752 -7.668) 27.629 18.423 ( 8.822 12.483 8.375) 17.430 18.621 ( 2.067 17.402 1.783) 17.615 18.833 ( 31.071 33.458 -9.348) 46.607 19.112 ( -0.633 20.320 -3.385) 20.609 19.733 ( -0.593 -5.508 -2.986) 6.293 19.978 ( 2.851 6.061 -0.695) 6.734 20.263 ( 1.703 3.580 -2.831) 4.871 20.731 ( -14.480 -5.458 5.047) 16.276 21.092 ( -5.551 -3.639 -4.841) 8.215 21.555 ( 1.227 -4.296 5.625) 7.183 21.914 ( -38.885 -27.914 22.200) 52.764 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 15.837 11.841 14.000) 24.228 1.306 ( 18.972 16.396 21.044) 32.736 1.730 ( -4.630 10.518 -1.100) 11.545 1.880 ( 2.321 7.511 3.522) 8.614 2.082 ( 8.047 16.064 7.955) 19.650 2.161 ( 4.908 4.619 4.237) 7.961 2.318 ( -0.758 8.216 2.639) 8.663 2.348 ( -0.916 10.776 1.678) 10.944 2.434 ( 2.564 0.897 -5.637) 6.257 2.632 ( 3.501 -1.526 0.164) 3.823 2.703 ( -2.982 4.528 -6.715) 8.631 2.804 ( -3.811 -4.139 -0.346) 5.637 2.893 ( -3.685 10.692 -3.144) 11.738 2.961 ( -1.982 4.936 3.450) 6.340 3.090 ( -5.611 -4.647 -6.049) 9.469 3.104 ( -0.255 -4.679 -1.927) 5.067 3.286 ( 6.864 -2.988 -3.955) 8.466 3.313 ( 0.161 -6.666 0.096) 6.669 3.379 ( 3.152 -7.796 1.233) 8.499 3.591 ( -2.886 -1.240 -5.184) 6.061 3.632 ( -2.228 -1.445 -8.239) 8.657 3.794 ( 0.064 -0.758 -2.701) 2.806 4.008 ( 0.751 -3.135 6.323) 7.098 4.086 ( -0.761 3.892 -0.994) 4.088 4.247 ( 0.024 0.958 4.213) 4.321 4.334 ( 3.536 -6.551 5.420) 9.209 4.443 ( 2.408 0.113 3.824) 4.521 4.582 ( -5.966 6.727 -12.572) 15.456 4.810 ( -2.579 -5.140 -0.960) 5.830 4.847 ( 1.329 1.227 0.655) 1.923 5.062 ( 3.439 -3.015 4.917) 6.715 5.137 ( -0.759 6.351 -0.201) 6.399 5.230 ( 7.150 1.176 -4.497) 8.528 5.268 ( -0.216 0.378 7.103) 7.116 5.566 ( 1.106 -7.499 -3.199) 8.228 5.706 ( -1.126 -6.451 -1.427) 6.702 5.724 ( -2.477 -5.525 -1.968) 6.367 6.014 ( 0.632 -2.925 1.532) 3.362 6.249 ( 3.681 -6.690 1.347) 7.754 6.312 ( -3.194 5.422 -3.359) 7.133 6.507 ( -1.265 -2.834 0.197) 3.110 6.569 ( 1.794 1.032 1.140) 2.363 6.636 ( 5.115 0.281 3.709) 6.325 6.820 ( -1.976 4.900 2.450) 5.823 6.869 ( -0.504 4.825 -4.572) 6.666 6.901 ( 0.095 6.647 0.373) 6.658 7.024 ( -1.784 4.529 3.961) 6.275 7.138 ( 3.001 -2.462 2.491) 4.612 7.248 ( -2.322 6.845 -2.906) 7.791 7.303 ( -0.447 2.679 -0.417) 2.748 7.343 ( -0.996 0.226 -0.538) 1.154 7.572 ( -4.054 -0.688 1.146) 4.269 7.642 ( -3.015 1.959 3.699) 5.158 7.833 ( -3.818 -2.870 -1.900) 5.141 7.922 ( 1.786 1.426 -2.351) 3.278 7.986 ( 2.535 0.461 -2.526) 3.608 8.784 ( 5.635 -6.709 2.425) 9.091 9.075 ( -1.406 -5.499 -0.729) 5.723 9.186 ( 0.297 11.238 -1.067) 11.292 9.278 ( 0.099 7.471 -3.003) 8.053 9.552 ( 0.385 4.637 0.995) 4.758 9.698 ( -0.469 2.733 -0.330) 2.792 9.704 ( 8.670 -1.075 10.482) 13.646 9.961 ( -1.792 4.627 -2.155) 5.410 10.034 ( 7.813 4.124 12.975) 15.698 10.204 ( 0.481 -5.187 2.199) 5.655 10.263 ( 2.539 -1.306 2.947) 4.103 10.428 ( -1.520 4.041 -2.035) 4.773 10.494 ( -2.820 0.951 -3.038) 4.253 10.785 ( -0.584 6.581 -1.136) 6.704 10.839 ( -12.397 -6.811 -16.142) 21.462 10.918 ( -6.554 4.944 -7.127) 10.872 11.037 ( -0.241 1.246 1.096) 1.677 11.222 ( -5.720 2.181 -5.698) 8.363 11.594 ( 2.872 0.216 2.448) 3.780 11.751 ( -7.199 -2.530 -0.673) 7.660 12.012 ( -17.329 14.429 -15.815) 27.543 12.071 ( -5.617 3.258 1.211) 6.605 12.864 ( 1.580 4.829 1.491) 5.296 13.122 ( 5.348 3.700 6.836) 9.435 13.310 ( 2.931 1.172 1.638) 3.556 13.350 ( 0.458 -1.885 2.596) 3.241 13.428 ( 1.850 -0.710 4.609) 5.017 13.682 ( -2.064 1.527 -3.575) 4.402 14.333 ( 7.901 -10.983 12.603) 18.490 14.759 ( 11.394 -1.350 8.529) 14.296 15.325 ( -18.388 -10.437 -19.585) 28.820 15.379 ( 2.371 3.604 -0.495) 4.342 15.547 ( 2.027 10.420 8.074) 13.337 16.010 ( 1.506 -20.466 3.036) 20.744 16.316 ( 5.829 -7.973 7.996) 12.708 16.458 ( 0.310 -17.444 1.265) 17.493 16.562 ( -10.889 2.335 -11.357) 15.906 16.715 ( -2.117 -20.421 -5.678) 21.301 17.007 ( -0.147 -31.121 -0.612) 31.127 17.338 ( -4.431 -1.530 -6.004) 7.617 18.355 ( -4.845 12.221 -2.820) 13.446 18.434 ( -1.241 15.712 -0.307) 15.764 18.750 ( 8.322 12.775 11.885) 19.332 19.036 ( -4.365 22.514 -5.032) 23.479 19.213 ( -3.401 7.103 -11.826) 14.208 19.601 ( -21.602 -1.772 24.805) 32.940 19.972 ( -7.623 6.668 4.923) 11.261 20.297 ( 1.235 3.697 -1.023) 4.030 20.499 ( 11.800 -3.160 -11.693) 16.910 21.094 ( -10.894 -5.405 0.615) 12.177 21.306 ( 18.168 -1.183 -15.170) 23.698 22.094 ( 20.830 -11.347 14.517) 27.809 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 15.430 3.896 5.699) 16.904 1.500 ( -10.177 13.289 -1.151) 16.778 1.663 ( 6.947 10.314 13.027) 18.009 1.896 ( 4.445 3.412 7.927) 9.708 2.167 ( 1.907 3.356 -0.574) 3.903 2.255 ( -1.332 -3.507 -0.736) 3.823 2.322 ( 4.832 5.718 -2.759) 7.979 2.410 ( -2.703 3.374 -5.609) 7.082 2.541 ( 8.523 5.347 5.241) 11.345 2.611 ( -1.945 1.301 -3.816) 4.476 2.712 ( -1.648 -1.286 -3.856) 4.386 2.782 ( 4.362 4.464 0.883) 6.304 2.825 ( -2.194 9.577 1.171) 9.895 2.952 ( 2.500 3.557 5.297) 6.853 3.004 ( -2.962 5.057 -4.221) 7.222 3.121 ( 3.243 -2.985 2.550) 5.091 3.270 ( -5.285 -1.868 -4.494) 7.184 3.397 ( 2.706 -5.224 -5.217) 7.864 3.441 ( 2.127 -4.628 4.149) 6.570 3.512 ( -2.621 0.402 1.954) 3.294 3.614 ( 1.604 -1.656 -5.676) 6.126 3.805 ( 0.389 -0.694 -8.079) 8.118 3.967 ( -7.355 9.006 -4.988) 12.653 4.033 ( 0.126 -4.188 2.862) 5.074 4.178 ( -4.125 4.116 -0.074) 5.828 4.382 ( 1.230 -9.285 3.460) 9.984 4.446 ( -5.498 0.800 -15.155) 16.141 4.600 ( 7.510 2.284 9.631) 12.425 4.821 ( 2.652 -3.308 4.144) 5.929 4.920 ( 5.612 -1.164 4.104) 7.049 5.089 ( -0.889 3.728 -2.139) 4.389 5.115 ( 1.273 -3.814 0.084) 4.021 5.310 ( 2.675 1.185 6.247) 6.898 5.402 ( 7.597 -0.085 -3.939) 8.558 5.574 ( -1.164 -3.758 -2.059) 4.440 5.665 ( -2.672 -3.850 -1.077) 4.809 5.751 ( 5.485 -8.546 4.273) 11.017 6.037 ( 1.760 -0.628 0.258) 1.887 6.208 ( -5.902 5.479 -2.105) 8.324 6.319 ( 2.706 -9.590 3.291) 10.494 6.517 ( 2.169 -2.219 0.663) 3.173 6.578 ( -0.802 -1.038 -3.438) 3.679 6.732 ( 1.868 0.542 3.854) 4.317 6.772 ( -2.040 -0.259 4.834) 5.253 6.858 ( 0.510 4.358 -0.629) 4.433 6.902 ( 0.250 6.098 1.486) 6.281 7.009 ( -1.127 5.566 1.579) 5.894 7.156 ( -5.186 -0.614 -3.489) 6.281 7.217 ( 1.748 1.822 2.143) 3.312 7.299 ( 0.754 3.898 -1.339) 4.190 7.334 ( 0.073 0.578 -0.753) 0.952 7.405 ( -6.665 6.424 -2.345) 9.549 7.660 ( 2.283 -0.828 5.388) 5.911 7.766 ( -2.018 -0.853 -1.197) 2.497 7.907 ( -0.588 3.566 -1.502) 3.913 8.075 ( 2.105 -2.369 -2.151) 3.830 8.869 ( 2.428 -5.659 -2.372) 6.599 9.055 ( -0.650 -6.804 0.360) 6.845 9.191 ( 0.231 11.973 -1.326) 12.048 9.293 ( 1.304 7.704 -1.441) 7.945 9.557 ( 0.108 7.358 -0.564) 7.381 9.682 ( -0.543 -0.024 0.401) 0.676 9.838 ( -2.150 2.755 -4.484) 5.685 9.894 ( 4.103 -5.648 4.415) 8.260 10.199 ( -4.762 -5.434 -4.479) 8.501 10.206 ( -1.010 -6.049 -0.778) 6.182 10.330 ( -2.561 5.107 -2.375) 6.188 10.368 ( 4.951 1.180 8.576) 9.973 10.456 ( 0.977 4.567 5.094) 6.911 10.519 ( -3.202 -0.994 -3.855) 5.109 10.799 ( 0.670 7.868 -1.499) 8.037 10.929 ( -0.302 8.160 -0.373) 8.174 11.023 ( -3.230 4.271 -2.902) 6.090 11.129 ( -2.381 1.146 -1.290) 2.940 11.405 ( -20.232 17.602 -22.481) 34.994 11.673 ( 2.851 2.119 14.135) 14.575 11.700 ( -6.135 -0.556 -5.220) 8.075 12.063 ( 0.297 3.464 16.627) 16.986 12.887 ( 1.042 6.627 -1.552) 6.885 13.184 ( 0.462 3.333 2.010) 3.920 13.299 ( -2.264 -6.085 -4.129) 7.694 13.408 ( 2.429 5.697 3.640) 7.183 13.492 ( 3.241 -1.561 5.192) 6.317 13.604 ( -2.994 7.190 -3.789) 8.661 14.547 ( 12.061 -17.370 15.787) 26.390 14.903 ( -18.113 -16.213 -19.264) 31.016 15.076 ( 15.983 -8.466 18.901) 26.161 15.130 ( -15.319 -8.477 -9.022) 19.696 15.857 ( 9.319 13.664 11.348) 20.058 15.978 ( 0.222 15.495 -3.698) 15.932 16.224 ( -6.742 -11.360 -6.484) 14.716 16.421 ( -1.872 -29.823 -1.247) 29.908 16.573 ( 1.178 6.256 0.938) 6.434 16.638 ( -1.313 -25.776 -0.378) 25.812 17.010 ( -0.006 -31.714 -0.511) 31.718 17.279 ( -0.297 -0.349 -0.127) 0.475 18.159 ( -11.138 15.474 -12.703) 22.910 18.461 ( 2.142 13.480 12.395) 18.438 18.804 ( -3.421 20.332 -1.289) 20.658 18.956 ( -2.653 25.001 0.652) 25.150 19.071 ( -8.604 2.189 -13.852) 16.453 19.378 ( 2.379 -2.759 27.454) 27.695 19.947 ( 1.274 3.579 -0.511) 3.834 20.314 ( 0.324 3.196 0.845) 3.322 20.557 ( -2.844 -1.705 -4.564) 5.641 20.917 ( -5.690 -1.488 5.766) 8.236 21.703 ( 14.007 -6.633 -28.080) 32.073 22.487 ( 16.617 -12.482 12.444) 24.223 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -5.722 10.825 0.904) 12.278 1.475 ( 3.619 -0.051 1.146) 3.796 1.719 ( 3.517 8.352 4.540) 10.136 2.046 ( -6.311 -2.325 -7.629) 10.170 2.086 ( 3.417 -0.550 5.410) 6.423 2.268 ( -1.980 -0.460 6.904) 7.197 2.370 ( 3.095 8.887 -5.415) 10.857 2.431 ( 1.907 8.904 -1.859) 9.294 2.544 ( -2.569 5.210 -0.520) 5.832 2.586 ( -2.940 7.438 -4.051) 8.965 2.710 ( 0.704 -1.690 -1.090) 2.131 2.775 ( -4.168 0.744 -3.208) 5.312 2.838 ( 2.003 0.383 3.546) 4.091 2.921 ( -2.060 11.847 -9.610) 15.393 3.100 ( 3.860 3.724 4.302) 6.876 3.140 ( -0.491 -3.584 -1.143) 3.794 3.218 ( 3.325 3.099 3.067) 5.483 3.404 ( -3.055 0.682 -3.410) 4.629 3.433 ( -0.386 -11.915 1.035) 11.966 3.496 ( 0.488 -2.632 0.420) 2.710 3.746 ( 8.138 0.850 4.795) 9.484 3.796 ( -1.383 -0.748 -4.839) 5.088 3.845 ( -2.496 6.869 -7.542) 10.502 4.015 ( -1.115 -4.641 -0.649) 4.817 4.168 ( 2.890 2.712 4.028) 5.651 4.335 ( -4.747 -0.431 -11.563) 12.507 4.384 ( -0.789 -7.798 1.631) 8.006 4.700 ( 1.637 5.141 3.052) 6.198 4.864 ( 0.537 2.364 5.371) 5.893 4.960 ( -1.566 -4.254 -2.609) 5.230 5.086 ( 1.649 -3.217 1.979) 4.121 5.254 ( 9.456 -1.198 8.605) 12.841 5.351 ( 2.303 -4.718 -0.075) 5.251 5.471 ( -0.645 -2.350 -4.178) 4.837 5.575 ( -4.002 -1.685 4.167) 6.018 5.621 ( 4.432 -1.729 0.742) 4.815 5.890 ( 6.603 3.785 4.473) 8.828 6.050 ( -2.338 2.891 -2.289) 4.366 6.139 ( 1.500 -9.373 1.318) 9.583 6.362 ( 1.224 -6.929 4.292) 8.242 6.520 ( -2.768 0.063 -5.679) 6.318 6.563 ( -3.588 0.616 -1.606) 3.979 6.686 ( -4.280 -3.604 -1.683) 5.842 6.752 ( 0.583 -3.738 5.072) 6.328 6.861 ( 1.975 5.303 2.088) 6.031 6.931 ( 0.692 3.588 2.626) 4.500 6.968 ( 0.516 4.787 7.505) 8.917 7.084 ( -2.243 0.079 -4.554) 5.077 7.214 ( -1.048 7.105 -2.270) 7.532 7.332 ( 0.557 0.200 -0.466) 0.753 7.352 ( 3.419 4.612 0.943) 5.818 7.367 ( 1.455 3.716 2.534) 4.727 7.664 ( -1.617 -3.204 0.051) 3.589 7.757 ( -1.546 2.834 -2.590) 4.139 7.932 ( 2.672 2.812 3.104) 4.968 8.067 ( -0.459 -2.737 -2.838) 3.970 8.890 ( -0.289 -6.508 -4.387) 7.853 9.032 ( -1.771 -4.772 -1.245) 5.240 9.195 ( 0.091 12.246 -1.308) 12.316 9.325 ( 1.709 7.831 -0.023) 8.016 9.551 ( -0.845 9.062 -1.902) 9.298 9.671 ( -1.741 -4.655 -2.735) 5.673 9.742 ( -4.425 1.285 -7.721) 8.991 9.901 ( -9.914 10.344 -12.979) 19.332 10.051 ( 3.772 -5.980 4.840) 8.568 10.199 ( -0.667 -3.547 -1.188) 3.800 10.285 ( -5.164 0.795 -6.462) 8.310 10.352 ( 0.736 1.563 0.795) 1.902 10.503 ( -0.080 4.597 1.009) 4.707 10.704 ( 9.158 -4.226 11.855) 15.565 10.751 ( -8.783 12.850 -14.867) 21.524 10.913 ( 7.829 6.234 16.451) 19.256 10.964 ( -4.015 2.335 -6.628) 8.093 11.030 ( -3.901 7.171 -2.806) 8.632 11.213 ( 0.306 2.697 4.288) 5.075 11.618 ( -2.101 -1.369 -4.038) 4.753 11.776 ( 5.652 0.756 10.113) 11.610 12.122 ( 6.583 13.053 23.586) 27.750 12.913 ( 1.389 6.382 -4.609) 7.994 13.156 ( -2.764 3.005 1.953) 4.525 13.221 ( -5.182 -2.941 -8.895) 10.707 13.374 ( -4.894 3.209 -4.438) 7.345 13.519 ( -0.680 -1.920 1.321) 2.428 13.633 ( 3.488 2.930 2.889) 5.395 14.579 ( -11.971 -11.117 -7.180) 17.845 14.811 ( 5.106 -17.267 9.995) 20.594 14.839 ( -2.782 -9.493 -4.472) 10.856 15.450 ( 17.934 -10.959 25.713) 33.210 15.644 ( -14.678 20.712 -22.768) 34.100 16.088 ( -3.625 -18.589 -4.082) 19.374 16.297 ( 10.003 5.861 11.571) 16.380 16.412 ( -6.224 -11.922 -10.344) 16.967 16.447 ( 2.763 -14.829 3.282) 15.437 16.706 ( 2.540 -16.128 4.257) 16.872 17.003 ( -0.379 -29.775 -0.829) 29.788 17.329 ( 4.293 -0.742 6.395) 7.738 17.923 ( -11.524 16.993 -16.926) 26.609 18.526 ( 3.936 16.066 14.278) 21.851 18.663 ( -8.899 17.577 -12.409) 23.283 18.844 ( -12.324 7.654 -17.943) 23.074 18.956 ( 1.986 21.650 5.326) 22.384 19.559 ( 11.748 -5.492 22.173) 25.687 19.981 ( 1.793 3.129 -1.767) 4.016 20.305 ( -1.164 2.223 1.968) 3.189 20.503 ( -1.247 0.697 -2.192) 2.616 20.819 ( -4.384 -0.553 5.926) 7.392 21.868 ( 3.137 -5.270 -22.333) 23.160 22.767 ( 10.698 -13.552 11.951) 20.998 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.042 12.668 1.008) 13.671 1.502 ( -1.183 7.819 2.030) 8.164 1.759 ( -1.740 7.549 0.345) 7.754 1.890 ( -5.325 -2.537 -0.437) 5.914 2.032 ( -13.994 7.969 5.237) 16.934 2.158 ( -1.557 -3.264 -1.653) 3.976 2.398 ( -3.725 5.545 -5.853) 8.881 2.462 ( -2.117 7.620 -3.428) 8.620 2.496 ( 3.782 14.993 -3.323) 15.816 2.542 ( -2.085 9.775 -2.372) 10.272 2.703 ( 1.170 -0.008 -3.912) 4.083 2.748 ( -0.166 3.536 -1.158) 3.724 2.849 ( -0.912 -1.581 3.416) 3.873 2.904 ( -1.481 6.781 -1.134) 7.033 3.087 ( 2.847 -6.240 1.283) 6.978 3.177 ( -6.010 2.788 -4.183) 7.835 3.270 ( 2.969 1.571 -1.843) 3.831 3.360 ( 1.570 -1.611 2.334) 3.242 3.461 ( 1.584 -3.405 -0.564) 3.797 3.517 ( 2.631 -12.464 0.897) 12.770 3.730 ( -2.106 4.390 -1.597) 5.124 3.835 ( -0.199 1.298 0.773) 1.524 3.879 ( 3.080 -4.388 -4.475) 6.983 4.034 ( 1.621 -1.749 -1.155) 2.650 4.200 ( -1.163 -1.821 -3.736) 4.316 4.296 ( 0.137 -5.611 4.835) 7.408 4.377 ( 1.915 0.438 1.330) 2.372 4.692 ( -1.810 3.466 -0.989) 4.034 4.814 ( -2.266 1.753 2.816) 4.017 4.956 ( -0.786 -0.578 0.276) 1.014 5.108 ( -0.876 -4.955 -1.316) 5.201 5.352 ( 1.902 0.920 3.764) 4.317 5.403 ( -2.705 -0.978 -3.176) 4.285 5.452 ( -1.366 -2.871 7.657) 8.291 5.529 ( 3.919 -5.097 -1.737) 6.660 5.727 ( 4.592 -2.960 6.378) 8.398 5.936 ( -1.740 0.689 3.144) 3.659 6.087 ( 5.464 0.329 0.149) 5.476 6.202 ( 4.030 -10.794 3.370) 12.004 6.314 ( -4.575 -0.102 1.519) 4.822 6.432 ( -4.602 -1.012 -6.616) 8.122 6.511 ( 1.237 0.669 -1.170) 1.830 6.606 ( -2.816 -5.945 -0.801) 6.627 6.795 ( 1.747 -5.378 5.034) 7.571 6.937 ( 0.338 5.537 1.622) 5.779 6.948 ( 3.379 8.252 1.396) 9.026 6.967 ( -1.144 5.534 3.959) 6.900 7.066 ( 0.610 -0.580 -0.770) 1.141 7.196 ( -0.201 10.546 -1.823) 10.704 7.359 ( 1.498 -0.426 2.103) 2.616 7.412 ( 2.470 1.957 2.459) 3.997 7.446 ( 5.317 0.746 2.611) 5.970 7.589 ( -6.115 0.309 -4.026) 7.328 7.712 ( 0.550 1.148 -1.812) 2.214 7.966 ( 1.258 -0.927 2.025) 2.557 8.098 ( 0.802 -1.298 -1.848) 2.396 8.856 ( -2.840 -5.474 -3.383) 7.034 9.006 ( 0.215 -2.083 -0.907) 2.282 9.194 ( -0.157 12.037 -1.206) 12.099 9.358 ( 1.335 5.503 0.755) 5.712 9.492 ( -6.028 4.994 -8.472) 11.535 9.589 ( -5.635 -2.609 -9.579) 11.415 9.639 ( -2.802 18.873 -6.089) 20.028 9.825 ( 1.287 9.655 1.671) 9.883 10.119 ( -0.030 -6.480 0.854) 6.537 10.136 ( -5.901 4.895 -10.961) 13.377 10.191 ( -0.526 -2.657 -1.960) 3.343 10.390 ( 2.400 1.668 1.760) 3.412 10.479 ( -2.372 7.278 -4.962) 9.123 10.614 ( -2.344 4.654 -4.039) 6.594 10.768 ( 0.189 -0.092 -2.713) 2.721 10.881 ( -2.895 7.414 -5.927) 9.924 10.992 ( -1.294 6.196 1.663) 6.545 11.243 ( 13.492 -4.463 18.937) 23.676 11.267 ( 10.209 -6.738 19.651) 23.147 11.588 ( -1.007 -2.218 -3.586) 4.335 11.863 ( 2.572 -3.678 2.758) 5.268 12.364 ( 15.770 23.437 28.187) 39.906 12.905 ( -4.499 -1.151 -11.649) 12.540 13.085 ( -3.964 2.600 2.098) 5.184 13.129 ( -1.597 0.420 -8.187) 8.351 13.251 ( -6.183 0.144 -7.604) 9.802 13.469 ( -3.216 -0.771 1.783) 3.757 13.679 ( 0.638 1.229 -1.712) 2.202 14.347 ( -10.882 -4.354 -2.354) 11.954 14.764 ( 3.172 -1.931 0.071) 3.715 15.067 ( 10.342 -20.817 12.240) 26.270 15.362 ( -11.333 20.318 -16.806) 28.701 15.791 ( 10.297 -7.005 16.262) 20.483 15.991 ( -1.601 -17.619 0.622) 17.702 16.183 ( -8.348 -16.916 -11.042) 21.858 16.457 ( 4.299 -23.864 3.578) 24.511 16.629 ( 7.918 8.645 8.651) 14.569 16.732 ( 0.289 -19.973 0.143) 19.975 17.000 ( -0.081 -23.081 -0.165) 23.082 17.410 ( 2.470 -5.955 3.677) 7.422 17.702 ( -8.974 19.230 -16.238) 26.721 18.471 ( -7.857 15.201 -10.795) 20.232 18.597 ( -8.384 21.128 -9.153) 24.504 18.629 ( 2.217 15.536 7.115) 17.231 19.010 ( 2.914 17.065 2.579) 17.503 19.792 ( 9.544 -6.731 17.121) 20.725 20.016 ( 1.503 3.160 -1.349) 3.750 20.276 ( -1.515 2.391 1.475) 3.192 20.515 ( 2.639 1.061 -1.951) 3.450 20.742 ( -2.705 -0.161 2.871) 3.948 21.858 ( -3.460 -3.780 -17.552) 18.285 22.932 ( 5.393 -16.923 11.351) 21.079 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -10.233 22.244 8.291) 25.851 1.409 ( -6.293 20.755 -6.360) 22.601 1.587 ( -10.294 3.620 11.031) 15.517 1.764 ( 1.793 12.414 6.170) 13.979 1.991 ( 5.170 5.199 -1.251) 7.438 2.100 ( -4.643 -2.506 -4.741) 7.093 2.207 ( -11.744 6.317 -1.570) 13.427 2.419 ( -2.487 16.767 1.443) 17.011 2.531 ( 3.001 3.603 -5.735) 7.408 2.590 ( 2.347 12.695 -2.324) 13.118 2.675 ( -2.869 -2.090 -1.156) 3.733 2.784 ( 1.315 -1.631 0.753) 2.226 2.841 ( 3.445 -0.379 1.638) 3.833 2.932 ( 5.394 5.463 1.169) 7.766 3.099 ( -0.031 -0.745 -5.910) 5.957 3.150 ( 0.485 -4.242 -1.224) 4.442 3.242 ( -5.678 0.014 -1.066) 5.777 3.351 ( -1.800 2.719 -8.173) 8.799 3.489 ( 2.233 -4.431 4.858) 6.944 3.626 ( 4.341 -16.340 1.722) 16.994 3.717 ( 0.286 4.475 -0.606) 4.525 3.786 ( -3.606 -0.849 -1.237) 3.905 3.916 ( -0.140 -7.107 -7.028) 9.996 4.036 ( -0.089 -1.544 -2.446) 2.894 4.200 ( 0.766 2.517 0.319) 2.650 4.263 ( -1.563 -11.590 2.899) 12.049 4.458 ( 3.640 0.175 4.754) 5.990 4.670 ( 1.164 0.037 1.376) 1.803 4.779 ( -3.902 6.417 -2.577) 7.940 4.885 ( -4.380 1.763 0.427) 4.741 5.070 ( -1.396 -3.968 -0.433) 4.229 5.305 ( -2.775 -0.980 5.445) 6.189 5.377 ( -2.137 -0.733 0.624) 2.344 5.469 ( 1.726 -3.983 -1.798) 4.698 5.559 ( -1.328 0.342 1.292) 1.884 5.817 ( 4.266 -4.509 6.408) 8.921 5.921 ( 0.057 -9.934 -0.881) 9.973 6.077 ( -4.143 -14.412 2.330) 15.175 6.261 ( -0.776 -4.494 -1.894) 4.939 6.324 ( -2.489 -0.270 -1.672) 3.010 6.376 ( 5.574 9.056 3.929) 11.336 6.561 ( 1.313 -3.841 -3.331) 5.251 6.586 ( 2.020 -4.733 5.889) 7.821 6.817 ( 1.062 -0.788 2.416) 2.754 6.902 ( -3.054 6.633 -0.435) 7.315 6.956 ( 0.466 3.589 0.612) 3.671 7.005 ( 2.177 8.675 0.526) 8.959 7.081 ( 1.246 1.911 0.570) 2.351 7.209 ( 1.266 9.560 -0.934) 9.689 7.372 ( -0.424 1.441 -0.263) 1.525 7.442 ( -2.687 -1.371 -1.802) 3.513 7.456 ( 0.168 2.056 0.786) 2.208 7.575 ( 3.245 -0.392 1.393) 3.553 7.807 ( 7.495 -1.219 4.083) 8.621 7.991 ( 0.747 -1.812 -0.630) 2.059 8.051 ( -4.090 -0.667 -3.103) 5.177 8.774 ( -5.273 -1.623 -1.479) 5.712 9.055 ( 3.935 -0.734 0.743) 4.072 9.189 ( -0.342 11.344 -1.017) 11.395 9.361 ( -4.084 5.924 -8.078) 10.818 9.382 ( 0.571 9.869 0.217) 9.887 9.469 ( -4.735 -0.852 -5.660) 7.429 9.684 ( 7.070 22.136 1.584) 23.291 9.856 ( 0.556 6.040 1.297) 6.203 9.975 ( -6.871 6.394 -15.703) 18.294 10.133 ( -0.106 -4.414 -0.785) 4.485 10.200 ( 0.872 -1.218 2.395) 2.825 10.437 ( 1.669 2.370 0.580) 2.956 10.440 ( -0.053 9.749 -6.142) 11.522 10.618 ( 1.635 1.586 2.729) 3.555 10.753 ( -1.210 -0.609 -3.248) 3.519 10.847 ( -0.744 8.712 -4.121) 9.666 10.959 ( -1.809 5.994 2.078) 6.597 11.346 ( 5.052 -1.069 5.536) 7.570 11.535 ( -0.316 -2.354 -5.223) 5.737 11.707 ( 17.659 -12.471 27.641) 35.092 11.899 ( 1.269 -4.513 0.962) 4.786 12.667 ( 7.431 14.998 9.254) 19.125 12.710 ( -7.894 -9.216 -10.349) 15.949 13.001 ( -3.860 1.305 1.279) 4.271 13.152 ( -1.173 9.947 -1.427) 10.117 13.191 ( 3.994 1.048 -4.980) 6.469 13.418 ( -1.692 0.893 2.229) 2.937 13.681 ( 0.674 3.094 -2.442) 3.998 14.152 ( -7.191 -0.264 -1.002) 7.265 14.866 ( 3.798 0.920 4.782) 6.175 15.145 ( -4.880 19.918 -2.182) 20.623 15.256 ( 2.873 -22.537 2.823) 22.895 15.720 ( -7.276 4.579 -9.373) 12.718 16.020 ( -2.881 -34.536 -0.956) 34.669 16.264 ( 15.206 -3.769 21.571) 26.659 16.547 ( 4.445 -28.589 3.403) 29.132 16.673 ( -4.572 3.559 -7.927) 9.819 16.722 ( -0.788 -23.454 -2.289) 23.579 16.974 ( -2.673 -13.897 -3.561) 14.593 17.398 ( -2.446 -16.138 -3.811) 16.761 17.623 ( 1.559 24.849 -4.460) 25.294 18.371 ( -1.227 20.001 -1.112) 20.069 18.424 ( -6.331 23.044 -8.160) 25.253 18.702 ( 2.675 19.527 7.262) 21.005 19.067 ( 2.478 15.482 0.025) 15.679 19.897 ( -0.006 -6.848 12.572) 14.316 20.033 ( -0.179 3.989 1.160) 4.158 20.243 ( -1.531 3.449 -0.621) 3.824 20.655 ( 12.021 -1.694 -2.156) 12.330 20.727 ( 1.225 -0.398 -0.848) 1.543 21.738 ( -7.957 -2.791 -13.215) 15.677 22.977 ( -1.913 -25.147 9.185) 26.840 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -13.369 27.536 6.196) 31.230 1.099 ( -19.390 11.857 17.362) 28.600 1.478 ( -1.929 30.067 12.981) 32.806 1.887 ( 3.413 15.266 3.216) 15.970 1.995 ( -3.134 0.866 -4.693) 5.709 2.096 ( 5.977 9.329 2.043) 11.266 2.132 ( 4.877 5.353 -4.019) 8.282 2.355 ( -3.170 17.032 3.526) 17.680 2.566 ( -2.865 -1.368 -0.957) 3.315 2.583 ( -0.109 7.427 -4.807) 8.848 2.698 ( 4.290 1.335 1.044) 4.613 2.821 ( 3.139 3.142 0.648) 4.489 2.942 ( 3.406 -2.549 -3.194) 5.320 3.066 ( 1.021 -2.233 -1.438) 2.845 3.081 ( -1.625 -1.476 -4.608) 5.104 3.134 ( 1.792 3.735 1.852) 4.537 3.164 ( 0.666 -1.778 -0.819) 2.068 3.297 ( -3.384 0.575 -4.244) 5.458 3.491 ( -2.928 -8.205 0.921) 8.760 3.651 ( -0.156 -11.947 -4.237) 12.677 3.712 ( -0.409 -1.537 -1.715) 2.339 3.722 ( -2.526 -3.182 -5.132) 6.546 3.926 ( 2.282 -6.625 1.687) 7.207 4.039 ( -0.368 -0.441 -1.610) 1.709 4.204 ( 0.202 3.130 -0.706) 3.215 4.260 ( 0.403 -10.125 5.612) 11.583 4.473 ( -1.554 -2.651 -3.759) 4.855 4.670 ( -2.719 2.598 -0.249) 3.768 4.779 ( 7.673 6.084 3.699) 10.467 4.851 ( 0.398 4.191 3.432) 5.432 5.025 ( -3.724 0.624 1.415) 4.033 5.227 ( -10.076 -1.627 -3.334) 10.737 5.305 ( 0.649 -7.554 3.248) 8.248 5.470 ( -3.408 -4.763 1.610) 6.074 5.553 ( 1.450 -0.119 -2.285) 2.709 5.863 ( -2.732 -13.902 1.100) 14.210 5.924 ( 0.445 -5.549 -3.161) 6.402 5.975 ( -5.029 -16.669 2.050) 17.532 6.180 ( -3.640 5.227 -2.859) 6.982 6.335 ( 1.201 -4.154 3.854) 5.793 6.441 ( 2.101 10.222 -1.703) 10.574 6.574 ( -0.035 -5.736 1.599) 5.954 6.623 ( -0.024 -2.946 2.700) 3.996 6.824 ( -0.611 4.133 2.416) 4.826 6.872 ( 0.065 4.014 -1.962) 4.468 6.968 ( -1.166 2.972 -1.448) 3.505 6.984 ( -2.218 6.547 -0.879) 6.968 7.163 ( 5.087 0.272 3.872) 6.399 7.243 ( 0.731 7.981 -0.156) 8.016 7.339 ( -1.409 0.384 -1.522) 2.109 7.425 ( 2.442 2.901 -0.217) 3.798 7.451 ( -2.274 0.350 -0.224) 2.311 7.625 ( 2.957 -1.790 0.954) 3.586 7.893 ( -1.010 -0.950 1.837) 2.302 7.986 ( -1.572 -0.471 -2.919) 3.349 8.030 ( 2.473 -1.207 0.870) 2.885 8.662 ( -3.951 -0.090 -0.359) 3.969 9.117 ( 1.079 -1.532 -2.305) 2.971 9.179 ( -0.465 10.167 -0.881) 10.216 9.316 ( -1.196 11.408 -4.360) 12.271 9.413 ( 2.837 1.909 3.938) 5.216 9.448 ( 3.200 5.550 4.054) 7.582 9.785 ( -5.691 8.762 -11.252) 15.355 9.885 ( 0.321 7.081 2.194) 7.420 9.958 ( 12.702 3.083 6.100) 14.424 10.142 ( 1.208 -4.608 1.187) 4.909 10.214 ( 0.331 0.981 0.462) 1.134 10.432 ( -0.093 2.828 -2.206) 3.588 10.601 ( 14.031 24.806 -6.399) 29.209 10.645 ( 6.215 6.775 1.229) 9.275 10.752 ( 2.085 0.145 0.032) 2.091 10.833 ( -0.829 6.407 -0.261) 6.466 10.938 ( 0.400 7.828 1.640) 8.008 11.440 ( 1.959 -2.924 0.854) 3.622 11.511 ( 0.790 0.130 -0.960) 1.251 11.863 ( -6.386 -9.088 -7.360) 13.325 11.916 ( -1.424 -5.397 -1.761) 5.853 12.593 ( 5.973 -17.135 7.725) 19.722 12.791 ( -1.930 18.430 -4.264) 19.015 12.935 ( -1.598 -1.171 4.109) 4.561 13.149 ( 1.436 9.699 2.941) 10.236 13.282 ( 3.603 3.359 -3.150) 5.847 13.405 ( 0.696 1.385 1.065) 1.880 13.692 ( -1.005 -1.564 -5.692) 5.987 14.118 ( 4.365 5.284 11.326) 13.238 14.814 ( -8.054 4.562 5.391) 10.712 15.078 ( -1.733 18.089 -0.829) 18.191 15.306 ( 3.933 -15.010 -7.544) 17.254 15.678 ( 4.070 5.144 6.506) 9.239 16.017 ( 2.854 -32.193 6.355) 32.938 16.391 ( -15.870 -11.091 -23.472) 30.427 16.525 ( 1.317 -10.078 1.716) 10.308 16.659 ( 5.988 -18.239 4.771) 19.781 16.719 ( 1.066 -15.176 -3.595) 15.633 16.963 ( 3.024 -15.909 3.466) 16.560 17.389 ( 1.981 -17.206 1.648) 17.398 17.738 ( 12.341 32.816 -6.201) 35.604 18.350 ( -0.555 20.602 -0.823) 20.626 18.430 ( 6.918 25.880 8.359) 28.062 18.722 ( -0.861 19.941 1.813) 20.042 19.107 ( 1.277 17.003 -1.775) 17.143 19.823 ( -5.746 -5.730 4.512) 9.284 20.001 ( -2.521 4.766 3.723) 6.552 20.234 ( 0.788 3.269 -3.297) 4.710 20.769 ( 2.328 -1.674 -0.103) 2.869 20.979 ( 16.793 -5.076 -2.048) 17.663 21.552 ( -8.660 -1.786 -7.037) 11.300 22.759 ( -23.853 -39.765 6.104) 46.771 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.846 20.633 12.081) 23.981 1.526 ( -0.756 25.922 2.790) 26.082 1.863 ( 0.556 4.491 -2.340) 5.095 2.087 ( -1.698 10.433 -3.216) 11.048 2.263 ( 3.162 7.163 -0.047) 7.830 2.367 ( 1.296 6.015 -3.677) 7.168 2.379 ( -1.200 0.651 0.721) 1.544 2.466 ( -2.148 1.535 1.233) 2.914 2.501 ( 5.726 0.373 -1.536) 5.940 2.627 ( -6.461 3.789 1.302) 7.602 2.784 ( -4.082 -6.544 -3.262) 8.374 2.891 ( -5.225 -7.974 -6.055) 11.294 2.931 ( 0.557 -7.496 -3.419) 8.258 2.960 ( -1.167 1.733 2.511) 3.266 3.021 ( 2.490 4.235 4.054) 6.370 3.095 ( -0.073 -0.349 0.968) 1.032 3.140 ( 6.662 -2.632 2.038) 7.448 3.215 ( -0.109 5.486 3.601) 6.563 3.385 ( -3.895 -0.158 -2.566) 4.667 3.628 ( 1.343 1.922 -2.510) 3.435 3.664 ( -2.242 -2.868 2.561) 4.451 3.696 ( 4.867 1.591 1.575) 5.357 3.835 ( 9.085 -3.421 7.704) 12.393 4.037 ( 0.999 0.739 2.190) 2.518 4.258 ( -1.086 7.408 -5.067) 9.041 4.312 ( 0.787 4.392 0.917) 4.555 4.453 ( 1.788 2.240 0.058) 2.867 4.667 ( 1.387 -8.954 2.417) 9.378 4.775 ( -1.680 -3.326 -1.361) 3.967 4.923 ( -0.954 -0.597 -3.939) 4.096 5.028 ( -0.901 2.253 1.661) 2.940 5.068 ( -2.007 -0.008 -7.154) 7.430 5.224 ( 2.581 0.248 -1.484) 2.988 5.281 ( -3.329 -3.166 0.066) 4.595 5.486 ( -4.154 -8.223 0.562) 9.229 5.640 ( 0.493 3.741 0.310) 3.786 5.654 ( -4.047 -6.838 1.037) 8.013 5.986 ( 0.947 3.561 0.514) 3.720 6.180 ( -2.281 -3.802 -1.671) 4.738 6.344 ( 2.479 4.368 2.420) 5.575 6.510 ( 2.899 -3.749 2.414) 5.318 6.583 ( -4.116 3.243 -1.396) 5.423 6.711 ( 1.587 9.758 -1.156) 9.954 6.867 ( 0.759 -0.817 -0.159) 1.126 6.884 ( 3.289 -1.439 2.258) 4.241 7.010 ( -2.889 1.417 -0.701) 3.293 7.030 ( 0.772 0.761 0.017) 1.084 7.180 ( -4.184 3.098 -0.058) 5.206 7.342 ( -1.012 -0.228 -2.567) 2.769 7.379 ( -2.726 2.087 0.253) 3.443 7.451 ( 3.121 3.179 2.354) 5.039 7.524 ( 2.096 -2.681 3.050) 4.570 7.730 ( 1.030 7.248 2.937) 7.888 7.830 ( 3.290 0.250 -0.234) 3.308 7.936 ( -5.356 0.789 -3.713) 6.565 8.064 ( 0.417 0.938 -0.330) 1.078 8.635 ( 0.283 2.289 -1.190) 2.595 9.072 ( -3.314 -0.453 -5.328) 6.291 9.199 ( 1.210 -5.357 1.159) 5.613 9.315 ( -1.785 -2.624 -2.448) 4.008 9.512 ( 4.752 -1.073 5.955) 7.693 9.672 ( -5.783 7.069 -6.344) 11.121 9.830 ( -1.129 -2.517 -2.543) 3.752 9.904 ( -1.783 -4.909 -1.918) 5.564 10.069 ( 1.397 -1.997 2.345) 3.383 10.125 ( -1.245 -4.642 -0.523) 4.834 10.285 ( 6.578 12.623 8.070) 16.362 10.570 ( 4.803 13.393 6.672) 15.715 10.665 ( -4.134 6.192 -4.326) 8.611 10.769 ( 3.215 -1.003 2.826) 4.397 10.943 ( -1.403 5.300 0.244) 5.488 11.049 ( -3.056 -1.930 -5.889) 6.910 11.339 ( -0.872 4.276 -5.774) 7.238 11.406 ( 3.079 6.629 3.247) 7.998 11.582 ( -8.085 13.446 -5.935) 16.775 11.697 ( -0.518 -6.184 -0.752) 6.251 11.961 ( 8.130 14.369 -1.483) 16.576 12.600 ( 19.061 -10.035 24.153) 32.364 12.899 ( -8.727 7.761 -8.204) 14.273 13.011 ( -1.053 6.570 -3.442) 7.492 13.358 ( -6.477 1.188 -9.750) 11.765 13.383 ( -0.120 5.716 -1.752) 5.980 13.537 ( 2.918 -0.802 3.368) 4.528 13.595 ( 4.235 9.715 4.123) 11.372 14.246 ( -4.858 2.739 4.622) 7.243 14.808 ( -1.265 3.950 0.949) 4.255 15.171 ( 4.532 -28.872 -4.064) 29.507 15.245 ( 2.210 -19.437 -5.678) 20.369 15.510 ( -13.879 -5.556 -18.352) 23.670 15.713 ( -9.178 -21.901 -16.051) 28.663 15.788 ( 4.349 4.013 9.863) 11.502 16.093 ( 2.432 -18.555 3.561) 19.049 16.343 ( 10.976 -5.290 14.394) 18.858 16.543 ( -4.111 -14.974 -4.889) 16.280 16.788 ( 5.387 -4.065 3.001) 7.386 17.190 ( 8.539 -12.671 10.369) 18.466 18.569 ( 8.034 13.404 -4.772) 16.339 18.728 ( -1.395 16.408 -3.530) 16.841 18.915 ( -5.571 10.781 -6.612) 13.820 19.289 ( 5.488 5.660 -7.587) 10.942 19.484 ( 4.756 15.694 -0.573) 16.409 19.672 ( 4.001 2.719 0.358) 4.850 20.129 ( 3.420 8.190 -1.262) 8.965 20.371 ( 1.670 6.975 -2.866) 7.724 20.590 ( -14.981 -7.599 7.843) 18.538 20.976 ( 0.368 -7.952 -3.437) 8.671 21.451 ( -12.722 -5.103 7.164) 15.467 21.542 ( 0.566 -9.736 12.206) 15.624 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 8.526 18.182 10.038) 22.451 1.618 ( 8.478 13.140 10.100) 18.616 1.911 ( 3.066 2.878 -0.697) 4.262 1.988 ( -7.801 10.221 -3.671) 13.371 2.217 ( -7.679 -1.303 -0.449) 7.801 2.288 ( -10.005 -5.432 -2.924) 11.754 2.335 ( -0.939 1.809 -4.536) 4.973 2.423 ( 2.751 -1.316 -6.180) 6.892 2.550 ( 1.060 2.331 -0.729) 2.663 2.639 ( -6.604 -5.857 0.774) 8.862 2.727 ( 8.471 8.371 0.274) 11.912 2.865 ( 1.423 -2.295 3.131) 4.135 2.894 ( 0.102 -2.661 -1.833) 3.233 2.921 ( -1.436 -0.174 2.427) 2.826 3.019 ( -3.762 0.314 0.883) 3.877 3.170 ( 2.764 -1.225 -2.040) 3.647 3.247 ( 4.088 5.966 2.491) 7.649 3.309 ( 7.051 -0.248 1.075) 7.137 3.357 ( 3.108 -0.934 0.353) 3.264 3.646 ( 0.928 -1.242 5.388) 5.606 3.657 ( 1.039 8.036 -4.428) 9.234 3.741 ( 1.013 5.992 -2.813) 6.696 3.966 ( 1.302 0.945 4.896) 5.154 4.141 ( 6.593 2.466 2.071) 7.338 4.212 ( -1.725 2.026 -3.335) 4.266 4.318 ( -0.828 1.961 -1.399) 2.548 4.501 ( 4.005 4.391 9.481) 11.189 4.608 ( -4.518 -8.293 -0.925) 9.489 4.791 ( -4.616 6.749 -8.164) 11.554 4.891 ( 2.737 0.461 -4.170) 5.009 5.007 ( -1.317 -1.188 -1.591) 2.383 5.075 ( 3.241 -11.019 -1.059) 11.534 5.228 ( 1.457 1.123 -0.972) 2.081 5.328 ( -0.908 1.243 4.399) 4.661 5.418 ( 3.279 -5.203 -4.333) 7.523 5.591 ( -2.483 -7.226 -1.033) 7.710 5.652 ( 0.352 1.576 1.396) 2.135 5.950 ( -1.554 -2.210 3.608) 4.508 6.193 ( 2.185 1.163 1.863) 3.098 6.378 ( -0.359 1.939 -2.814) 3.436 6.498 ( -2.703 2.651 -0.639) 3.839 6.571 ( 2.319 -3.575 2.660) 5.023 6.713 ( 0.394 5.147 2.253) 5.632 6.854 ( -5.660 1.858 -0.565) 5.983 6.917 ( -1.361 -2.422 -3.407) 4.396 6.978 ( 1.533 1.509 -1.561) 2.658 7.103 ( 1.456 2.672 4.017) 5.040 7.113 ( 2.774 0.668 1.468) 3.208 7.313 ( -1.999 -2.245 -2.582) 3.962 7.332 ( -1.572 3.663 0.598) 4.031 7.472 ( -0.684 6.200 0.145) 6.239 7.535 ( -0.650 -1.221 1.920) 2.366 7.729 ( -2.474 6.412 2.804) 7.423 7.812 ( -3.900 2.115 -3.329) 5.547 7.945 ( 5.711 1.055 0.524) 5.832 8.044 ( -1.444 2.569 -1.756) 3.431 8.691 ( 4.498 -0.675 1.722) 4.863 8.984 ( -4.827 -2.731 -5.897) 8.095 9.238 ( 2.497 -4.758 1.437) 5.563 9.292 ( -0.521 -4.304 -1.138) 4.482 9.586 ( -1.328 1.070 -0.166) 1.713 9.631 ( 4.351 -3.877 5.631) 8.103 9.790 ( -2.058 0.734 -3.805) 4.387 9.858 ( -2.449 -8.386 -3.421) 9.383 10.080 ( 0.146 -3.231 0.741) 3.318 10.114 ( -0.231 -4.778 0.406) 4.801 10.385 ( 3.704 6.626 4.840) 9.004 10.565 ( -5.004 4.120 -5.114) 8.256 10.665 ( 3.728 16.274 5.902) 17.708 10.835 ( 2.266 1.168 1.429) 2.923 10.890 ( -7.179 3.427 -7.097) 10.661 10.930 ( -3.024 3.393 -2.128) 5.019 11.301 ( -0.504 18.786 -4.178) 19.252 11.422 ( 0.383 23.814 4.389) 24.218 11.574 ( 2.750 0.040 6.009) 6.608 11.657 ( -2.843 -5.070 -0.052) 5.813 12.086 ( 4.322 6.658 8.859) 11.894 12.476 ( -23.997 18.922 -29.398) 42.405 12.950 ( 7.378 1.838 7.589) 10.743 13.101 ( 8.900 -4.553 15.000) 18.027 13.261 ( -2.648 -2.016 -5.720) 6.618 13.364 ( -1.768 3.477 -1.629) 4.227 13.583 ( 2.071 9.422 5.726) 11.218 13.710 ( 5.284 2.496 3.747) 6.942 14.177 ( -0.648 -4.796 4.587) 6.668 14.810 ( 2.292 6.113 -1.252) 6.647 14.998 ( -21.170 -25.258 -24.022) 40.782 15.197 ( -8.384 -17.314 -3.691) 19.588 15.287 ( -0.730 -24.287 -1.133) 24.324 15.625 ( -2.515 -35.606 -6.784) 36.333 15.992 ( 11.549 -2.079 15.873) 19.740 16.158 ( 4.694 -3.708 6.710) 8.989 16.392 ( -2.737 -26.900 -4.015) 27.336 16.649 ( 10.074 10.445 12.700) 19.284 16.784 ( -5.114 6.946 -6.824) 10.998 17.291 ( 1.177 -4.151 0.765) 4.382 18.597 ( -5.340 9.753 -5.001) 12.192 18.709 ( -3.517 10.580 -4.365) 11.973 18.870 ( 5.737 3.867 7.164) 9.959 19.245 ( -6.130 -4.862 -11.788) 14.148 19.492 ( -3.657 19.634 -0.230) 19.973 19.689 ( -7.231 8.162 11.524) 15.865 20.120 ( -9.520 7.102 4.447) 12.683 20.378 ( 3.164 0.569 -3.623) 4.843 20.450 ( 6.054 2.275 -4.750) 8.025 20.956 ( -4.039 -7.587 -1.601) 8.742 21.322 ( 8.413 2.610 -3.284) 9.400 21.834 ( 17.361 -13.165 10.463) 24.170 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 5.324 8.506 7.010) 12.241 1.716 ( -7.244 1.868 6.233) 9.737 1.825 ( -1.325 7.552 3.118) 8.277 1.950 ( 2.586 1.770 4.137) 5.190 2.077 ( -6.766 -7.195 -2.154) 10.108 2.179 ( 0.878 -6.418 2.005) 6.781 2.349 ( 4.328 0.455 -2.307) 4.925 2.457 ( -1.575 -1.570 -3.406) 4.067 2.549 ( 0.182 -2.110 -1.237) 2.453 2.608 ( 3.798 1.368 -1.753) 4.401 2.746 ( -2.027 3.038 -5.682) 6.755 2.867 ( -2.337 -0.284 -0.107) 2.356 2.884 ( -2.667 -0.090 0.973) 2.840 2.976 ( 0.662 2.047 0.063) 2.152 3.061 ( 9.765 2.857 7.909) 12.886 3.190 ( 0.990 -5.254 -6.425) 8.359 3.309 ( 1.954 4.164 -0.705) 4.654 3.415 ( 2.637 -2.226 0.014) 3.451 3.496 ( 8.800 -0.904 5.844) 10.602 3.647 ( -2.409 17.605 -5.856) 18.709 3.688 ( 1.972 12.810 2.984) 13.300 3.743 ( -0.475 3.159 -3.904) 5.044 3.960 ( -0.767 3.374 5.962) 6.893 4.109 ( -4.291 0.757 -6.518) 7.840 4.242 ( -1.322 0.821 -4.565) 4.823 4.270 ( -2.960 5.290 -4.560) 7.586 4.518 ( -5.991 2.435 -10.539) 12.365 4.653 ( 8.881 0.347 17.929) 20.011 4.690 ( 1.205 -2.187 -4.435) 5.090 4.967 ( 1.450 2.934 -0.781) 3.365 5.015 ( 3.845 -5.144 -1.414) 6.576 5.087 ( -2.310 -9.368 -1.716) 9.799 5.255 ( -3.110 -1.747 2.892) 4.592 5.366 ( 10.232 -1.784 2.778) 10.752 5.481 ( -2.016 -4.971 -2.929) 6.112 5.595 ( 2.259 -3.700 0.393) 4.353 5.693 ( 6.363 1.564 4.064) 7.710 5.956 ( 1.222 -6.132 4.566) 7.743 6.218 ( -0.921 2.943 0.727) 3.168 6.328 ( -2.623 1.541 -6.419) 7.104 6.499 ( 2.220 0.730 3.169) 3.938 6.581 ( -1.535 -2.406 1.116) 3.064 6.685 ( -6.345 -4.918 3.896) 8.923 6.741 ( -1.785 3.686 -1.411) 4.332 6.893 ( 0.831 -0.131 0.433) 0.946 7.001 ( 0.584 1.696 -1.358) 2.250 7.109 ( -0.299 2.201 1.685) 2.788 7.171 ( -1.248 2.316 1.399) 2.980 7.265 ( -2.681 1.274 -2.049) 3.607 7.319 ( 1.416 3.305 1.795) 4.019 7.455 ( 0.272 4.933 -1.499) 5.163 7.512 ( -1.442 2.470 -0.028) 2.861 7.639 ( -3.856 1.447 0.527) 4.152 7.812 ( 1.744 5.619 -0.388) 5.896 7.976 ( -1.322 0.813 -0.350) 1.591 8.068 ( 2.189 1.994 -1.678) 3.403 8.775 ( 1.998 -1.933 -2.206) 3.549 8.914 ( -0.217 -5.469 1.074) 5.578 9.279 ( 0.257 -2.716 -1.188) 2.975 9.298 ( 1.671 -5.814 0.427) 6.064 9.563 ( -0.767 -2.523 0.025) 2.637 9.648 ( -2.598 -3.719 -1.407) 4.749 9.798 ( 0.721 -4.434 -0.337) 4.504 9.838 ( 2.393 -4.647 1.272) 5.379 10.084 ( -0.076 -4.068 1.514) 4.341 10.103 ( -0.481 -4.037 -0.237) 4.073 10.430 ( -1.408 4.185 -0.575) 4.452 10.500 ( 1.137 1.649 1.137) 2.303 10.717 ( 1.191 13.197 3.254) 13.644 10.727 ( -4.976 24.471 -4.548) 25.382 10.854 ( -2.221 -2.886 -3.439) 5.010 10.931 ( 2.584 -2.308 5.028) 6.107 11.307 ( -0.276 18.692 -3.534) 19.025 11.416 ( -1.148 28.549 2.084) 28.648 11.586 ( -2.026 2.678 -0.472) 3.391 11.647 ( 1.832 -0.898 6.464) 6.779 11.942 ( -24.705 21.307 -32.347) 45.942 12.203 ( 8.119 8.980 21.589) 24.752 13.044 ( 3.271 7.023 0.712) 7.780 13.158 ( -4.196 -6.325 -5.456) 9.348 13.267 ( -0.541 3.983 0.042) 4.020 13.385 ( 5.581 -5.318 7.284) 10.606 13.616 ( 0.506 9.456 4.007) 10.283 13.756 ( -1.279 5.823 -3.899) 7.124 14.229 ( 5.609 -12.283 7.804) 15.597 14.598 ( -13.857 -14.921 -15.789) 25.768 14.937 ( -10.494 -10.356 3.086) 15.063 14.953 ( 6.179 -4.122 6.878) 10.123 15.308 ( 1.255 -35.011 2.601) 35.130 15.566 ( -2.825 -39.051 -2.829) 39.255 16.098 ( -0.605 -26.332 -0.225) 26.340 16.288 ( 3.600 -21.118 5.105) 22.023 16.451 ( 10.818 9.831 11.539) 18.623 16.577 ( -11.441 15.998 -15.428) 24.997 16.807 ( 1.570 12.606 0.552) 12.715 17.288 ( 0.120 0.010 -0.403) 0.421 18.431 ( -9.170 10.989 -10.457) 17.726 18.679 ( 1.471 7.045 6.365) 9.607 18.973 ( -1.749 0.674 -5.730) 6.029 19.164 ( 3.192 -4.105 3.654) 6.356 19.375 ( -6.801 20.109 0.249) 21.230 19.519 ( -6.332 15.146 13.028) 20.958 20.052 ( 0.269 6.570 -0.915) 6.639 20.380 ( -1.545 1.396 0.956) 2.292 20.531 ( 1.076 0.814 -5.103) 5.278 20.866 ( -3.567 -3.606 2.385) 5.605 21.591 ( 12.643 -2.759 -15.148) 19.923 22.173 ( 14.756 -16.962 10.138) 24.662 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.040 2.238 6.033) 6.435 1.573 ( -2.301 5.229 4.928) 7.544 1.803 ( -0.575 -2.947 3.528) 4.633 1.966 ( -3.057 0.482 -0.281) 3.107 2.052 ( 3.429 -3.405 6.917) 8.438 2.190 ( -0.869 -4.986 5.104) 7.188 2.417 ( -0.940 -2.567 -1.035) 2.923 2.519 ( 7.945 -4.968 2.559) 9.714 2.558 ( 2.566 1.431 -1.700) 3.394 2.704 ( -0.162 7.410 -3.381) 8.147 2.724 ( 3.807 -1.567 -3.505) 5.407 2.809 ( -2.835 3.819 -2.074) 5.189 2.836 ( -1.743 -0.696 3.194) 3.705 2.974 ( -1.131 0.922 -0.711) 1.623 3.184 ( 1.914 3.383 -0.096) 3.888 3.209 ( 0.703 -7.159 -4.262) 8.361 3.341 ( 0.893 2.635 -2.633) 3.830 3.406 ( -4.029 -3.144 -3.943) 6.455 3.562 ( -4.831 16.480 -4.903) 17.860 3.632 ( 2.299 7.179 1.511) 7.688 3.695 ( 1.167 18.674 -1.444) 18.766 3.773 ( 2.569 -1.378 0.722) 3.003 3.971 ( 1.926 4.394 8.070) 9.388 4.003 ( -5.794 3.564 -11.957) 13.757 4.188 ( -2.859 -2.553 -5.741) 6.903 4.217 ( -0.799 4.954 -3.750) 6.264 4.424 ( -1.964 3.357 -6.383) 7.474 4.776 ( 4.290 -9.747 1.152) 10.712 4.789 ( 2.161 2.727 6.511) 7.382 4.925 ( -4.447 -0.793 0.939) 4.614 5.019 ( 0.187 -4.439 -2.569) 5.133 5.193 ( 7.593 -4.029 3.916) 9.445 5.234 ( 2.821 -3.681 1.508) 4.877 5.440 ( -0.580 -2.584 -1.344) 2.970 5.548 ( 2.836 -2.650 7.704) 8.626 5.579 ( 0.355 0.251 4.635) 4.655 5.879 ( 7.827 -5.655 2.240) 9.912 5.976 ( 0.301 -5.501 0.914) 5.585 6.144 ( -3.749 8.101 -2.350) 9.230 6.315 ( 0.812 -1.833 -3.159) 3.741 6.505 ( -5.439 -5.800 -2.371) 8.297 6.544 ( -0.043 -0.518 2.097) 2.160 6.598 ( -2.253 -4.235 4.739) 6.744 6.697 ( 0.488 3.889 0.802) 4.001 6.922 ( 0.730 1.617 2.167) 2.801 7.031 ( 2.141 3.879 0.607) 4.472 7.066 ( -0.961 5.747 2.963) 6.537 7.148 ( -1.226 3.393 0.304) 3.620 7.218 ( -0.870 -2.860 -1.820) 3.500 7.360 ( 2.061 2.053 3.438) 4.504 7.475 ( -0.472 5.831 -2.709) 6.447 7.481 ( -0.224 3.467 -1.262) 3.696 7.583 ( -2.073 -2.855 0.208) 3.535 7.853 ( 2.097 2.026 -1.493) 3.276 7.947 ( -2.424 1.702 -0.639) 3.030 8.086 ( 0.751 3.991 -1.905) 4.486 8.776 ( -0.186 -2.773 -3.099) 4.162 8.967 ( 3.311 -1.261 5.541) 6.577 9.273 ( -0.611 -3.984 -2.378) 4.680 9.313 ( -0.458 -6.222 -0.782) 6.287 9.548 ( -0.778 -5.180 -2.628) 5.861 9.617 ( -0.069 1.247 1.657) 2.074 9.799 ( 0.927 -1.269 0.125) 1.576 9.898 ( 1.532 -7.033 2.175) 7.519 10.085 ( 0.753 -1.184 2.122) 2.544 10.101 ( 0.000 -4.756 0.557) 4.789 10.366 ( -3.341 3.787 -4.919) 7.050 10.569 ( 3.496 2.057 5.692) 6.990 10.648 ( -3.011 25.539 -3.649) 25.973 10.743 ( 0.915 6.692 -0.236) 6.758 10.833 ( 1.481 -0.102 2.581) 2.978 10.982 ( 1.940 -2.670 4.807) 5.831 11.214 ( -10.335 18.554 -17.721) 27.660 11.393 ( -2.130 29.870 0.567) 29.952 11.471 ( -8.299 20.397 -8.934) 23.764 11.580 ( -1.724 1.528 -0.776) 2.431 11.726 ( 0.955 -2.238 -0.997) 2.630 12.456 ( 15.917 15.816 28.701) 36.431 12.976 ( -12.215 -8.778 -18.519) 23.858 13.116 ( 2.406 4.317 -1.030) 5.049 13.230 ( -2.064 4.236 -0.424) 4.731 13.470 ( 1.236 -2.733 5.289) 6.080 13.583 ( -3.620 11.933 -2.135) 12.651 13.706 ( -1.680 4.410 -7.720) 9.049 14.357 ( 3.868 -14.885 7.629) 17.168 14.480 ( 1.493 -7.595 4.786) 9.101 14.686 ( -6.907 -10.688 -3.158) 13.111 15.201 ( 11.878 -14.092 23.378) 29.769 15.302 ( -0.562 -34.851 -0.567) 34.860 15.561 ( 3.049 -34.310 2.969) 34.573 16.038 ( -4.603 -20.693 -6.509) 22.175 16.274 ( -8.383 5.402 -10.082) 14.181 16.402 ( 0.310 -19.650 -0.636) 19.663 16.693 ( 6.571 12.139 4.919) 14.653 16.723 ( -5.605 11.466 -9.004) 15.619 17.303 ( -0.104 -2.966 -0.735) 3.058 18.259 ( -6.736 15.935 -11.106) 20.559 18.757 ( 5.058 6.182 11.089) 13.666 18.853 ( -5.706 6.383 -9.665) 12.912 19.222 ( -7.046 20.984 -4.632) 22.615 19.305 ( 4.289 2.962 5.219) 7.377 19.471 ( 3.093 4.503 14.991) 15.956 20.072 ( 1.309 5.538 -1.927) 6.008 20.337 ( -2.028 -0.002 2.019) 2.862 20.546 ( 0.881 3.938 -3.351) 5.245 20.800 ( -3.286 -1.534 2.905) 4.647 21.767 ( 4.521 -3.106 -14.168) 15.193 22.414 ( 8.333 -19.461 9.203) 23.084 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 6.365 5.038 6.480) 10.387 1.652 ( 9.206 3.712 7.881) 12.675 1.807 ( 0.385 -2.047 6.034) 6.383 1.902 ( -3.492 6.003 2.228) 7.294 2.089 ( -0.202 -4.689 2.249) 5.204 2.130 ( -3.931 3.303 5.121) 7.252 2.420 ( 1.624 -1.698 -1.636) 2.863 2.568 ( 0.234 -2.162 1.404) 2.589 2.601 ( -5.335 4.115 -1.563) 6.917 2.702 ( 2.966 0.612 -4.011) 5.026 2.750 ( -2.586 5.825 -2.664) 6.907 2.813 ( -0.523 1.256 1.886) 2.326 2.848 ( 5.881 -4.161 0.760) 7.244 2.953 ( 0.176 -0.801 1.324) 1.557 3.166 ( -1.648 3.975 -6.665) 7.933 3.223 ( -1.955 0.578 -0.417) 2.080 3.245 ( -7.087 -1.839 -5.556) 9.191 3.346 ( -0.934 5.328 -3.968) 6.709 3.475 ( -4.460 1.875 -2.033) 5.247 3.670 ( 2.202 20.488 -9.731) 22.788 3.702 ( -1.362 -3.664 3.385) 5.171 3.813 ( 1.017 3.382 0.198) 3.537 3.897 ( -3.821 2.231 -7.999) 9.141 4.015 ( 1.305 0.562 5.812) 5.984 4.149 ( -0.986 1.199 -7.327) 7.489 4.224 ( 1.177 4.957 0.124) 5.096 4.425 ( 1.161 1.163 -0.070) 1.645 4.693 ( -6.524 -2.872 0.378) 7.138 4.845 ( 1.778 -8.775 -2.167) 9.212 4.914 ( 1.344 4.567 4.190) 6.342 5.006 ( -2.308 -4.489 -3.680) 6.247 5.254 ( 2.493 -4.777 -0.052) 5.389 5.386 ( 4.576 -6.417 3.256) 8.527 5.460 ( -2.778 2.815 3.266) 5.129 5.483 ( 2.209 2.503 6.384) 7.204 5.637 ( 1.094 -5.510 6.375) 8.497 5.889 ( -6.383 -5.315 1.777) 8.493 5.931 ( -2.212 -9.366 0.858) 9.662 6.208 ( 5.364 7.012 -1.704) 8.991 6.328 ( 0.023 -2.955 -2.470) 3.852 6.381 ( -2.368 -0.584 -5.077) 5.632 6.545 ( 0.858 1.169 3.787) 4.055 6.618 ( 3.592 3.015 4.501) 6.500 6.700 ( -1.367 1.023 1.455) 2.243 6.982 ( 3.998 -2.124 1.123) 4.664 7.038 ( -0.290 2.613 -0.006) 2.629 7.091 ( 1.760 2.979 2.059) 4.026 7.115 ( -1.188 6.862 2.981) 7.575 7.245 ( 2.771 -4.737 0.950) 5.569 7.401 ( 1.069 3.550 0.758) 3.784 7.435 ( -2.305 -0.905 -1.586) 2.940 7.482 ( -1.106 1.334 -2.326) 2.901 7.574 ( 3.110 1.676 0.056) 3.533 7.866 ( -4.014 9.532 -1.717) 10.484 7.903 ( 2.463 -3.885 -1.136) 4.738 8.099 ( -0.784 1.290 -1.834) 2.376 8.785 ( 0.662 -0.328 1.745) 1.895 9.028 ( 2.921 4.070 4.049) 6.441 9.252 ( -1.502 -5.465 -2.483) 6.188 9.302 ( 0.106 -4.656 0.466) 4.680 9.516 ( -2.488 -3.868 -5.481) 7.155 9.627 ( 0.792 4.223 2.482) 4.962 9.854 ( 4.094 0.447 4.493) 6.095 9.909 ( 0.410 -4.841 1.396) 5.055 10.078 ( -1.533 -2.403 -1.411) 3.181 10.119 ( 0.868 -4.773 2.043) 5.264 10.293 ( -4.391 10.367 -8.476) 14.093 10.564 ( -4.392 15.790 -5.970) 17.443 10.626 ( 1.367 5.849 3.201) 6.807 10.755 ( 0.202 2.190 -3.204) 3.886 10.923 ( 5.600 -3.482 6.172) 9.032 10.964 ( -3.595 23.024 -15.478) 27.975 11.057 ( 0.395 0.237 2.357) 2.401 11.337 ( -0.950 12.753 0.289) 12.792 11.453 ( 3.078 22.312 6.258) 23.376 11.573 ( 0.605 7.445 1.137) 7.556 11.754 ( 1.593 -5.142 -0.146) 5.385 12.659 ( -16.808 -15.361 -26.050) 34.599 12.808 ( 15.411 16.358 23.889) 32.798 13.137 ( -0.684 3.948 -0.475) 4.035 13.218 ( 1.512 8.231 -1.409) 8.487 13.434 ( -3.453 1.879 2.750) 4.798 13.522 ( -1.559 13.277 -2.010) 13.519 13.691 ( -0.603 0.427 -4.474) 4.535 14.307 ( -6.065 0.646 6.245) 8.729 14.562 ( 6.470 -16.726 2.156) 18.063 14.760 ( 9.719 -12.160 1.230) 15.616 15.214 ( -2.860 -40.126 3.240) 40.358 15.503 ( 11.425 -16.095 18.111) 26.788 15.696 ( 10.685 -17.566 12.968) 24.309 15.902 ( -8.430 1.549 -9.364) 12.695 16.110 ( -5.302 -8.298 -6.747) 11.937 16.416 ( -5.618 -13.720 -9.987) 17.875 16.538 ( -2.697 -5.567 -2.457) 6.656 16.813 ( 0.660 0.929 -0.208) 1.159 17.228 ( -7.377 -10.845 -10.758) 16.964 18.184 ( -0.204 24.358 -6.193) 25.133 18.757 ( -1.063 14.116 -1.051) 14.195 18.894 ( 4.868 8.943 9.703) 14.065 19.079 ( -5.691 21.514 -5.421) 22.905 19.327 ( -0.193 10.870 -2.141) 11.081 19.617 ( 7.802 -8.823 14.941) 19.025 20.105 ( 2.011 5.344 -1.368) 5.871 20.319 ( 0.496 1.025 1.502) 1.885 20.561 ( 0.513 3.648 -2.893) 4.684 20.735 ( -2.524 -0.534 1.018) 2.774 21.785 ( -2.406 -2.244 -11.464) 11.927 22.505 ( 0.239 -22.832 9.168) 24.606 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -6.716 1.199 10.792) 12.767 1.791 ( -2.341 15.829 4.461) 16.611 1.820 ( 3.026 17.240 5.570) 18.368 1.938 ( 12.232 0.377 2.704) 12.533 2.071 ( 0.943 1.523 -0.263) 1.811 2.105 ( 2.005 4.474 1.879) 5.251 2.384 ( -8.792 8.705 -8.184) 14.834 2.522 ( 4.195 -2.091 -0.303) 4.697 2.595 ( -1.243 -4.373 0.984) 4.652 2.651 ( -3.836 1.043 -0.865) 4.069 2.735 ( 0.835 -0.056 3.961) 4.048 2.840 ( -3.277 3.866 -3.614) 6.225 2.876 ( 4.519 3.311 2.108) 5.986 3.028 ( 4.513 -5.864 4.023) 8.423 3.087 ( -3.354 0.951 -5.610) 6.605 3.175 ( 1.677 10.787 -1.605) 11.034 3.217 ( -3.053 -5.900 -0.458) 6.659 3.298 ( -2.818 -1.558 -2.414) 4.025 3.378 ( -4.518 -2.144 -3.741) 6.245 3.619 ( -4.600 4.465 -0.509) 6.431 3.702 ( -1.105 -3.645 -9.399) 10.141 3.791 ( -3.810 1.645 -2.795) 5.003 3.831 ( -2.662 2.271 0.900) 3.614 4.033 ( 0.619 -1.300 2.365) 2.769 4.165 ( 3.021 11.833 -5.048) 13.214 4.260 ( 2.044 4.542 1.031) 5.086 4.434 ( -0.521 -2.713 -0.816) 2.881 4.623 ( -0.013 -4.482 3.223) 5.521 4.825 ( -3.664 -4.591 -4.828) 7.604 4.935 ( 0.362 3.167 3.486) 4.724 4.972 ( 0.839 -3.351 -3.399) 4.846 5.308 ( -0.424 -3.614 4.284) 5.621 5.322 ( -3.890 1.652 2.375) 4.847 5.407 ( -4.909 -2.825 -1.437) 5.843 5.519 ( -0.135 -4.309 1.288) 4.500 5.716 ( 6.677 -4.264 3.664) 8.729 5.797 ( -2.990 -4.962 5.848) 8.232 5.833 ( -5.954 -6.528 -0.193) 8.838 6.229 ( 0.461 1.622 1.496) 2.254 6.338 ( -1.298 0.373 -8.004) 8.117 6.414 ( 3.256 -3.311 2.287) 5.177 6.587 ( 2.173 6.064 3.699) 7.428 6.636 ( -0.604 7.064 0.234) 7.093 6.784 ( 8.306 -0.727 4.853) 9.648 6.964 ( -4.325 -2.060 -4.163) 6.346 7.033 ( -0.514 2.375 0.773) 2.550 7.123 ( 1.118 2.820 -0.147) 3.037 7.145 ( 2.331 4.659 5.642) 7.679 7.293 ( 1.202 -3.471 -0.771) 3.754 7.377 ( -0.853 -1.737 -3.731) 4.203 7.419 ( 0.237 1.510 1.005) 1.830 7.468 ( -0.392 1.014 0.711) 1.299 7.672 ( 3.451 6.049 0.977) 7.032 7.830 ( 1.795 4.294 1.978) 5.057 7.941 ( 0.584 -2.365 -5.060) 5.616 8.048 ( -2.630 0.153 -0.392) 2.664 8.770 ( -2.768 1.306 0.906) 3.192 9.094 ( 3.136 5.454 2.095) 6.631 9.212 ( -2.287 -7.035 -1.966) 7.654 9.332 ( 2.422 -0.476 2.776) 3.715 9.460 ( -2.414 -0.794 -3.512) 4.335 9.665 ( 3.771 2.833 3.150) 5.672 9.935 ( 2.559 -1.430 4.907) 5.716 9.943 ( 3.544 3.865 4.714) 7.051 10.034 ( -2.395 -4.130 -2.945) 5.610 10.077 ( -6.383 8.416 -10.606) 14.968 10.196 ( -2.662 5.941 -3.818) 7.547 10.498 ( -1.351 5.037 -3.146) 6.091 10.657 ( 1.894 5.069 2.763) 6.076 10.748 ( -0.608 1.559 -2.646) 3.131 10.977 ( 3.887 22.659 -9.402) 24.838 10.999 ( 1.481 2.010 1.045) 2.707 11.101 ( 2.791 5.979 1.318) 6.729 11.343 ( 0.741 -0.486 -1.185) 1.479 11.588 ( 4.191 11.849 1.550) 12.663 11.648 ( 12.299 7.192 19.780) 24.377 11.800 ( 3.928 -0.150 1.872) 4.354 12.295 ( -17.814 -14.426 -26.455) 35.004 12.982 ( 0.659 5.886 5.619) 8.164 13.142 ( 0.033 10.711 2.522) 11.004 13.284 ( 5.785 4.047 -1.185) 7.159 13.396 ( -0.311 5.664 2.297) 6.120 13.508 ( 0.206 13.581 1.078) 13.625 13.665 ( -2.190 -3.223 -4.022) 5.600 14.226 ( -0.597 8.541 8.770) 12.257 14.719 ( 8.603 -14.608 -3.182) 17.249 14.928 ( 4.178 -13.363 -2.615) 14.243 15.187 ( 1.077 -39.551 4.472) 39.818 15.644 ( -0.902 19.167 2.654) 19.371 15.763 ( 1.425 -3.492 3.809) 5.361 15.957 ( 6.395 -14.955 11.535) 19.940 16.056 ( 1.343 -22.317 1.208) 22.390 16.237 ( -4.312 -12.701 -7.684) 15.458 16.548 ( -2.554 -13.579 -3.099) 14.161 16.741 ( -5.123 -8.931 -5.701) 11.769 17.055 ( -6.960 -16.991 -9.647) 20.741 18.241 ( 5.235 28.862 -4.977) 29.752 18.792 ( 4.305 20.332 6.169) 21.679 18.882 ( -4.862 18.800 -6.263) 20.404 19.070 ( 3.215 14.778 5.889) 16.230 19.336 ( 1.585 8.752 -4.041) 9.770 19.718 ( 1.324 -9.457 10.985) 14.555 20.148 ( 1.748 6.904 0.669) 7.153 20.334 ( -0.334 4.800 0.251) 4.818 20.613 ( 6.750 -2.035 -2.808) 7.589 20.711 ( 0.051 -1.249 -1.583) 2.017 21.681 ( -7.282 -1.905 -8.437) 11.307 22.407 ( -10.580 -27.535 10.036) 31.158 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -12.677 12.221 12.372) 21.520 1.642 ( -8.952 28.060 -0.214) 29.454 1.878 ( -0.447 8.799 -1.154) 8.885 2.068 ( 2.461 10.219 0.519) 10.524 2.215 ( 7.690 -0.739 -1.387) 7.849 2.248 ( -0.174 10.714 -2.139) 10.927 2.267 ( 10.817 6.694 2.483) 12.961 2.507 ( -4.180 -0.570 -1.709) 4.552 2.532 ( -3.903 -2.554 -1.719) 4.971 2.717 ( -1.761 4.087 4.195) 6.116 2.729 ( 8.047 -3.613 0.233) 8.824 2.847 ( 2.430 0.680 -1.067) 2.740 2.952 ( 3.168 -1.088 4.461) 5.578 3.033 ( -2.957 -1.039 3.482) 4.685 3.057 ( -5.509 0.067 -6.328) 8.391 3.120 ( -1.535 -1.139 -2.870) 3.448 3.145 ( -5.896 -3.092 -3.375) 7.465 3.270 ( -4.777 -2.734 0.307) 5.513 3.371 ( 8.026 1.879 4.316) 9.305 3.553 ( 0.022 -0.365 1.319) 1.368 3.650 ( -2.373 -4.172 -6.229) 7.864 3.717 ( -2.737 3.696 -0.524) 4.629 3.778 ( -1.651 -4.359 1.973) 5.062 4.037 ( -0.247 -0.642 0.885) 1.121 4.238 ( 2.910 13.171 -3.552) 13.949 4.294 ( 1.102 3.178 -0.014) 3.364 4.426 ( 0.395 -1.519 -2.024) 2.561 4.643 ( 0.642 -5.322 1.610) 5.597 4.786 ( 0.800 -4.728 -0.300) 4.805 4.934 ( -0.518 2.187 1.373) 2.633 5.009 ( 1.950 -1.088 -2.474) 3.332 5.175 ( -7.528 -3.153 -3.714) 8.966 5.243 ( -4.751 2.255 1.156) 5.385 5.353 ( -1.792 -4.074 1.356) 4.652 5.534 ( 0.132 -12.815 -0.581) 12.829 5.669 ( -5.085 6.433 1.534) 8.342 5.742 ( -3.420 -8.020 4.450) 9.789 5.891 ( 6.809 0.921 -0.585) 6.896 6.239 ( -1.167 -4.907 -0.335) 5.055 6.311 ( 0.032 6.726 -0.831) 6.777 6.464 ( 1.832 -4.213 2.448) 5.205 6.617 ( 0.909 2.219 1.962) 3.098 6.655 ( 2.094 9.680 -0.580) 9.921 6.869 ( -2.242 0.317 0.823) 2.409 6.886 ( -0.405 -1.747 -0.977) 2.042 7.023 ( -0.983 1.470 -0.406) 1.815 7.093 ( -3.135 2.148 -1.362) 4.037 7.216 ( 1.842 4.856 4.513) 6.881 7.324 ( 3.945 -3.255 -3.266) 6.069 7.371 ( 0.591 2.152 -1.341) 2.604 7.434 ( -1.786 1.230 1.356) 2.558 7.469 ( 2.445 0.003 3.196) 4.024 7.700 ( 1.036 8.728 1.672) 8.947 7.840 ( -2.409 -2.336 -2.585) 4.236 7.978 ( 2.549 -0.901 -1.224) 2.968 8.032 ( 0.733 0.341 0.918) 1.223 8.684 ( -4.439 2.499 -2.327) 5.600 9.121 ( -1.232 1.928 -3.542) 4.216 9.182 ( 0.255 -5.783 1.407) 5.957 9.353 ( -1.102 0.020 -2.252) 2.507 9.444 ( 1.482 0.409 2.118) 2.617 9.762 ( 2.465 -0.974 1.391) 2.993 9.871 ( -7.311 5.118 -10.010) 13.411 9.949 ( -2.394 2.175 -3.192) 4.544 10.024 ( 2.563 -0.600 4.061) 4.840 10.095 ( 7.617 9.875 9.897) 15.921 10.171 ( -0.293 0.951 -0.070) 0.998 10.500 ( 1.613 5.161 1.986) 5.760 10.703 ( 2.084 2.980 1.579) 3.965 10.730 ( -1.085 3.031 -1.853) 3.715 10.977 ( -1.674 5.092 1.823) 5.662 11.057 ( 1.427 6.504 -4.223) 7.885 11.225 ( 9.449 12.251 -4.414) 16.089 11.360 ( 0.877 -4.364 -1.006) 4.564 11.660 ( 3.472 7.399 -0.543) 8.191 11.813 ( 4.121 4.248 -2.553) 6.446 11.876 ( -13.698 13.608 -13.910) 23.797 12.157 ( 19.283 -16.626 22.985) 34.301 12.959 ( -1.330 3.117 2.447) 4.180 13.101 ( -3.697 8.500 -7.152) 11.707 13.383 ( -0.240 5.577 -1.557) 5.796 13.404 ( 3.933 5.939 0.029) 7.123 13.532 ( 1.500 12.957 3.808) 13.588 13.573 ( -6.039 -6.639 -9.014) 12.720 14.275 ( 2.823 10.663 10.341) 15.119 14.859 ( -1.222 -4.715 1.475) 5.090 14.972 ( 8.557 -17.307 -10.500) 21.978 15.232 ( 1.376 -32.387 2.714) 32.529 15.583 ( -1.220 22.595 0.485) 22.633 15.814 ( -3.329 0.231 -1.894) 3.837 15.942 ( -0.717 -16.357 -2.667) 16.588 16.085 ( -0.344 -29.728 -0.720) 29.739 16.208 ( -5.768 -14.673 -9.322) 18.316 16.556 ( 10.448 -9.477 11.151) 17.981 16.671 ( -3.052 -13.290 -3.437) 14.062 17.026 ( 4.646 -17.838 6.669) 19.602 18.383 ( 8.556 25.571 -8.503) 28.273 18.784 ( -3.841 20.028 -8.294) 22.015 18.920 ( 6.191 18.482 4.596) 20.026 19.124 ( 3.470 17.162 1.120) 17.545 19.396 ( 3.862 8.562 -1.592) 9.527 19.688 ( -3.083 -5.427 4.857) 7.909 20.146 ( -2.173 9.239 4.170) 10.367 20.330 ( 1.329 6.033 -3.614) 7.157 20.709 ( -0.534 -4.471 1.107) 4.637 20.840 ( 12.294 -8.115 -3.583) 15.160 21.513 ( -7.603 -1.556 -3.734) 8.612 22.041 ( -25.331 -27.652 13.297) 39.788 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.235 21.455 4.895) 22.007 1.915 ( -1.999 -3.602 -3.764) 5.580 1.991 ( -6.558 16.853 -8.544) 20.001 2.154 ( 0.182 -4.313 -0.195) 4.321 2.238 ( -3.526 -6.023 -5.656) 8.983 2.315 ( -0.109 2.610 -2.796) 3.826 2.349 ( -9.025 -6.401 -3.166) 11.508 2.464 ( -5.237 -4.413 -4.284) 8.078 2.555 ( 3.781 3.651 -2.244) 5.715 2.594 ( 1.785 -2.501 -3.485) 4.646 2.771 ( -0.783 4.861 0.098) 4.925 2.804 ( 0.450 2.973 4.227) 5.187 2.871 ( -3.394 -3.136 1.263) 4.791 2.935 ( 9.956 -5.218 6.410) 12.940 2.984 ( 0.049 -0.106 4.715) 4.716 3.080 ( 0.710 -4.843 5.819) 7.604 3.166 ( 0.844 2.534 -0.269) 2.685 3.238 ( 1.029 -4.255 0.506) 4.406 3.366 ( -4.828 5.544 -3.877) 8.311 3.526 ( -3.136 -7.555 -1.878) 8.393 3.780 ( 9.406 5.310 5.558) 12.147 3.805 ( 7.391 2.416 5.435) 9.487 3.878 ( 4.760 8.869 5.981) 11.709 4.024 ( 1.795 -3.139 3.469) 5.010 4.303 ( -0.513 2.079 -0.198) 2.151 4.426 ( -1.621 -8.345 0.957) 8.554 4.520 ( 2.320 4.186 -0.984) 4.886 4.630 ( 1.767 7.330 -1.388) 7.666 4.673 ( 0.155 2.303 -1.788) 2.919 4.885 ( -1.484 -3.753 -3.343) 5.241 5.053 ( -1.870 -0.104 -6.340) 6.611 5.080 ( -6.016 -2.125 -4.694) 7.921 5.209 ( 2.743 0.278 -2.409) 3.662 5.234 ( -0.063 -0.279 -2.786) 2.801 5.377 ( -0.154 -0.362 4.981) 4.996 5.481 ( -3.759 -8.471 3.088) 9.768 5.837 ( -3.563 11.119 -2.444) 11.930 6.032 ( -6.472 -6.948 -3.532) 10.131 6.145 ( 7.189 8.565 2.803) 11.529 6.345 ( 4.330 -8.782 1.907) 9.975 6.530 ( -1.828 8.464 -0.464) 8.671 6.653 ( -4.082 -0.036 -2.319) 4.695 6.806 ( 1.714 0.501 1.535) 2.355 6.852 ( 3.000 -1.027 1.565) 3.536 6.887 ( -1.013 3.401 1.968) 4.058 6.972 ( -1.408 -4.812 3.301) 6.004 7.068 ( 0.954 4.443 -1.038) 4.662 7.190 ( -2.914 -4.429 -2.946) 6.065 7.303 ( -1.834 0.348 1.174) 2.205 7.356 ( -0.747 -3.241 0.958) 3.461 7.507 ( 1.555 2.725 1.893) 3.664 7.528 ( 2.102 0.715 1.520) 2.691 7.851 ( 1.683 3.642 -0.048) 4.012 7.871 ( 3.845 2.035 1.168) 4.505 7.968 ( -2.847 2.419 -1.842) 4.165 8.034 ( 0.467 -3.340 0.054) 3.372 8.756 ( 0.215 8.969 -0.924) 9.019 8.964 ( 0.455 -10.196 -0.125) 10.206 9.182 ( -4.841 3.955 -6.646) 9.124 9.257 ( -4.878 -2.978 -6.514) 8.666 9.513 ( 2.779 2.636 4.731) 6.087 9.639 ( 0.961 -8.478 3.455) 9.205 9.804 ( -6.717 3.009 -8.362) 11.140 9.854 ( -4.425 -1.912 -4.906) 6.878 10.004 ( 0.868 -2.191 2.058) 3.129 10.027 ( -0.302 -4.179 -0.133) 4.192 10.482 ( -0.237 8.631 -2.400) 8.962 10.652 ( -1.276 -7.080 -3.202) 7.874 10.792 ( -3.702 5.652 -3.918) 7.811 10.864 ( -0.075 2.599 2.335) 3.495 11.012 ( 0.402 5.464 -0.391) 5.492 11.059 ( -0.335 1.910 -2.587) 3.233 11.389 ( 5.519 2.516 5.707) 8.329 11.506 ( 3.188 -5.617 3.699) 7.443 11.612 ( 10.311 9.252 13.857) 19.594 11.809 ( 8.832 -2.531 10.305) 13.806 12.433 ( -1.335 27.141 -4.254) 27.505 12.704 ( 9.194 25.665 15.180) 31.204 12.926 ( -5.810 -9.633 -6.463) 12.974 13.052 ( -1.398 -5.754 -3.449) 6.853 13.216 ( 0.045 -5.684 -1.477) 5.873 13.381 ( 2.559 -8.746 -0.297) 9.118 13.582 ( 0.614 6.077 -0.145) 6.110 13.755 ( -0.742 -6.708 1.226) 6.860 14.367 ( -9.889 7.704 -3.213) 12.941 14.483 ( -2.318 -10.712 3.821) 11.607 14.904 ( 2.938 -1.830 -2.289) 4.150 15.014 ( 5.534 -10.129 -7.129) 13.566 15.307 ( -18.532 -9.950 -26.726) 34.011 15.318 ( -11.242 -12.004 -17.143) 23.756 15.688 ( -6.823 3.279 -9.381) 12.054 15.996 ( -8.273 -20.817 -10.965) 24.940 16.270 ( 12.768 18.795 18.050) 29.018 16.575 ( 12.241 -3.628 14.204) 19.099 16.660 ( 13.514 3.469 18.480) 23.156 16.915 ( 13.454 -13.975 17.763) 26.303 18.832 ( -1.264 12.214 -6.747) 14.011 18.985 ( -5.850 3.468 -8.423) 10.825 19.039 ( -5.321 4.889 -9.217) 11.711 19.193 ( -3.231 -8.402 -4.912) 10.255 19.730 ( 7.619 7.082 1.423) 10.499 19.767 ( 5.570 2.900 2.158) 6.640 20.288 ( -2.384 7.172 2.187) 7.868 20.428 ( -10.239 -6.608 5.529) 13.382 20.558 ( 3.395 9.640 -1.928) 10.401 20.776 ( 2.966 -10.950 -2.161) 11.549 21.391 ( -6.424 -0.416 5.914) 8.741 21.423 ( 1.735 -3.377 4.716) 6.055 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.502 18.082 5.279) 18.897 1.813 ( -7.218 5.172 -3.821) 9.667 1.936 ( -1.508 -2.427 -3.368) 4.416 2.056 ( -10.770 -8.067 -7.586) 15.448 2.117 ( -4.427 -5.050 0.500) 6.735 2.168 ( -6.332 -1.001 -1.316) 6.544 2.309 ( 0.147 1.634 -0.870) 1.857 2.393 ( -0.618 -2.272 0.217) 2.365 2.577 ( -1.929 0.270 -2.832) 3.437 2.593 ( -1.365 -0.481 -3.373) 3.671 2.781 ( 1.193 2.275 -0.632) 2.645 2.843 ( 1.088 -2.508 -0.474) 2.774 2.904 ( 7.765 6.800 1.669) 10.456 2.972 ( 0.040 3.425 6.103) 6.999 3.053 ( 0.019 -1.751 5.022) 5.318 3.127 ( 2.941 -6.270 2.100) 7.237 3.244 ( 3.618 -0.323 -1.237) 3.838 3.272 ( 3.334 -3.066 -2.399) 5.125 3.333 ( 3.532 4.405 1.072) 5.747 3.484 ( -0.146 -8.439 -2.663) 8.850 3.846 ( 1.378 5.705 0.457) 5.887 3.924 ( 1.576 -1.820 1.561) 2.870 4.061 ( 9.796 12.636 10.574) 19.169 4.188 ( 12.611 0.352 9.511) 15.799 4.293 ( -0.191 3.710 -2.390) 4.417 4.396 ( -0.806 -7.470 -0.917) 7.569 4.518 ( -2.387 12.934 -2.870) 13.462 4.655 ( -0.121 7.180 -0.209) 7.184 4.748 ( 5.178 -7.528 0.660) 9.161 4.850 ( -0.916 -4.938 -1.016) 5.124 4.954 ( -6.101 -0.109 -10.023) 11.734 4.996 ( -2.532 -2.210 -6.059) 6.929 5.246 ( 2.559 3.337 -0.166) 4.208 5.332 ( 2.790 -1.139 -0.783) 3.114 5.349 ( 1.620 -1.308 -0.506) 2.143 5.416 ( -2.601 -8.069 2.386) 8.808 5.765 ( -2.297 7.392 0.415) 7.751 5.895 ( -5.005 -4.472 0.870) 6.768 6.275 ( 4.393 6.443 3.075) 8.383 6.408 ( -0.390 -3.666 -1.558) 4.002 6.485 ( -1.203 0.900 -0.967) 1.787 6.554 ( -4.309 -0.973 -3.022) 5.353 6.774 ( -3.120 5.780 2.345) 6.974 6.880 ( 0.743 1.339 0.526) 1.619 6.929 ( 0.019 -0.344 0.363) 0.501 6.951 ( -1.367 -5.634 1.230) 5.926 7.068 ( -0.291 -0.632 -0.683) 0.975 7.120 ( -1.230 -1.642 -1.905) 2.800 7.303 ( 1.955 2.082 4.364) 5.215 7.354 ( 0.263 -1.891 3.291) 3.804 7.540 ( 1.287 2.767 1.150) 3.261 7.564 ( 1.287 1.135 0.200) 1.728 7.859 ( -5.570 6.457 -1.340) 8.632 7.897 ( 0.378 3.945 -0.679) 4.021 7.964 ( 3.894 0.236 0.504) 3.934 8.016 ( -0.968 -4.825 -0.431) 4.939 8.778 ( 1.605 8.219 -1.039) 8.439 8.942 ( -3.881 -4.647 -6.999) 9.254 9.122 ( 0.365 -2.131 0.437) 2.206 9.183 ( -2.090 -5.433 -2.282) 6.252 9.567 ( 2.391 0.298 4.530) 5.130 9.616 ( -2.890 -1.503 -1.121) 3.445 9.709 ( -1.820 -2.888 -3.571) 4.940 9.748 ( -4.889 -3.759 -6.553) 8.998 10.024 ( 1.015 -1.475 1.647) 2.433 10.034 ( 0.689 -2.396 1.218) 2.775 10.507 ( 2.233 6.316 2.220) 7.057 10.615 ( -3.338 -1.395 -3.604) 5.107 10.734 ( -0.346 -0.526 -0.557) 0.841 10.805 ( -4.112 -4.050 -4.005) 7.025 11.033 ( 0.826 7.769 0.371) 7.822 11.068 ( 0.749 5.247 0.433) 5.318 11.443 ( 0.549 -1.114 0.605) 1.382 11.497 ( -1.907 -6.183 -0.191) 6.473 11.906 ( 12.597 21.322 17.407) 30.271 11.981 ( 10.218 14.733 16.118) 24.109 12.370 ( -4.524 22.461 -5.209) 23.496 12.701 ( -14.141 1.137 -17.923) 22.859 12.938 ( 9.801 1.697 17.392) 20.035 13.060 ( 1.779 -3.859 1.796) 4.613 13.232 ( 1.614 2.700 -1.961) 3.706 13.411 ( -0.870 -2.553 -0.872) 2.835 13.620 ( 2.897 -0.329 0.349) 2.937 13.744 ( 0.361 -9.005 -2.395) 9.325 14.150 ( -8.863 3.225 -3.700) 10.131 14.349 ( -11.045 -22.054 -3.926) 24.976 14.891 ( -2.254 1.329 -2.540) 3.647 14.992 ( -8.635 -3.462 -7.004) 11.645 15.071 ( -4.894 -2.840 -6.732) 8.794 15.129 ( -5.578 -11.322 -11.927) 17.365 15.609 ( -0.888 -9.464 -1.206) 9.581 15.820 ( -7.699 -22.980 -10.499) 26.412 16.533 ( 12.000 16.706 15.662) 25.852 16.769 ( 5.357 -5.278 5.977) 9.606 16.919 ( 10.995 11.738 14.599) 21.721 17.149 ( 8.045 -9.639 9.838) 15.951 18.750 ( -6.491 6.118 -6.949) 11.307 18.830 ( -7.855 -0.067 -8.577) 11.631 18.976 ( -0.265 6.586 -1.439) 6.747 19.112 ( -4.140 -6.798 -6.896) 10.531 19.779 ( -2.361 7.738 2.958) 8.614 19.816 ( -2.119 3.154 5.605) 6.772 20.238 ( -4.502 4.473 1.424) 6.504 20.317 ( 1.980 -3.690 -3.169) 5.251 20.598 ( 1.249 9.193 -0.830) 9.315 20.787 ( -1.017 -8.956 -0.795) 9.049 21.412 ( 7.865 6.371 1.280) 10.202 21.586 ( 11.959 -10.603 5.293) 16.836 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -6.114 6.403 5.660) 10.508 1.654 ( -7.587 -4.225 5.562) 10.313 1.805 ( -6.188 -0.955 0.719) 6.302 1.938 ( -4.966 -8.901 4.846) 11.286 2.072 ( 0.049 2.047 -1.287) 2.419 2.081 ( -0.260 1.763 0.861) 1.980 2.358 ( 4.314 0.811 1.058) 4.515 2.409 ( 0.962 -1.944 -0.114) 2.172 2.537 ( -0.438 1.644 -3.982) 4.330 2.601 ( 2.135 -3.002 -4.666) 5.945 2.805 ( 1.116 4.016 -2.138) 4.684 2.862 ( 0.257 -0.755 -0.463) 0.922 2.938 ( -1.502 3.961 1.824) 4.612 3.015 ( -1.305 -1.955 0.443) 2.391 3.102 ( 4.996 2.699 -0.705) 5.722 3.154 ( 1.823 0.832 0.180) 2.012 3.302 ( 2.951 -0.494 -1.064) 3.175 3.344 ( 2.900 -3.711 -0.879) 4.792 3.452 ( 5.530 -1.015 2.116) 6.007 3.514 ( 2.419 -7.869 -1.408) 8.351 3.874 ( 0.912 4.432 -0.251) 4.532 3.939 ( 1.043 -2.716 0.332) 2.928 4.204 ( 2.011 10.059 1.559) 10.376 4.285 ( -0.396 15.965 -3.278) 16.303 4.383 ( -2.059 1.784 -5.124) 5.803 4.405 ( 5.661 -0.590 1.766) 5.959 4.457 ( -1.484 11.441 -1.576) 11.644 4.668 ( 2.727 -3.839 5.572) 7.295 4.725 ( -6.520 1.310 -9.123) 11.289 4.792 ( -1.484 -8.504 -2.045) 8.872 4.979 ( 5.837 -0.338 3.607) 6.870 5.022 ( 5.139 -0.706 -2.215) 5.640 5.213 ( -4.568 -0.255 5.911) 7.475 5.323 ( -3.211 -6.817 0.603) 7.559 5.408 ( 5.784 1.992 -4.149) 7.392 5.496 ( 6.746 -5.353 -1.811) 8.800 5.760 ( 1.821 4.402 5.263) 7.098 5.850 ( 0.374 -4.318 5.495) 6.998 6.309 ( -1.605 3.408 -2.087) 4.307 6.340 ( -3.808 0.798 -6.773) 7.811 6.470 ( -2.242 -4.239 2.483) 5.400 6.487 ( -2.040 -3.313 0.189) 3.895 6.692 ( -4.290 7.506 3.031) 9.161 6.858 ( -4.078 -2.135 -1.862) 4.966 6.896 ( 0.444 3.542 0.800) 3.658 6.953 ( 3.368 -3.009 1.482) 4.753 7.099 ( 2.280 -0.405 -0.012) 2.316 7.160 ( 2.909 -4.331 -0.932) 5.300 7.318 ( -1.195 3.253 4.664) 5.810 7.358 ( 0.015 -0.126 4.045) 4.047 7.537 ( -1.994 4.873 -1.135) 5.386 7.576 ( -0.232 1.558 -1.137) 1.943 7.716 ( -6.594 5.788 -1.813) 8.959 7.850 ( -5.445 -4.776 -1.715) 7.443 8.010 ( 3.260 4.136 -0.066) 5.267 8.078 ( 4.046 -1.710 -0.630) 4.437 8.815 ( 0.881 4.591 -1.551) 4.925 8.866 ( -0.283 -0.127 -0.490) 0.580 9.150 ( 0.383 -5.626 0.096) 5.639 9.164 ( 0.329 -6.157 -0.004) 6.166 9.559 ( -2.173 2.099 -1.791) 3.512 9.606 ( 1.225 -0.674 4.091) 4.323 9.686 ( -0.931 -4.401 -2.163) 4.991 9.717 ( 2.359 -5.599 1.964) 6.385 10.037 ( 0.008 -0.746 0.371) 0.833 10.047 ( 0.493 -1.618 1.109) 2.023 10.526 ( -3.928 4.673 -3.969) 7.281 10.557 ( 1.673 2.878 2.249) 4.017 10.728 ( -2.682 -3.526 -3.589) 5.701 10.767 ( 2.563 -5.521 3.917) 7.238 11.037 ( -0.272 8.651 -1.497) 8.784 11.083 ( 0.480 7.461 0.338) 7.484 11.408 ( -2.892 -1.256 -3.244) 4.524 11.488 ( 0.572 -6.902 3.433) 7.729 12.027 ( 2.029 28.344 1.388) 28.451 12.218 ( 0.163 32.004 4.175) 32.276 12.274 ( -9.847 4.870 -13.643) 17.516 12.387 ( -0.601 9.777 2.998) 10.244 13.018 ( -3.147 -3.192 -2.433) 5.101 13.123 ( 2.180 -5.891 2.552) 6.780 13.300 ( 5.623 2.290 8.115) 10.135 13.354 ( -2.723 2.708 -1.370) 4.077 13.695 ( 3.993 -4.233 1.193) 5.940 13.765 ( 0.442 -5.060 -6.980) 8.632 14.047 ( -0.923 -6.070 -1.487) 6.318 14.139 ( -6.227 -22.265 -2.332) 23.236 14.755 ( -10.658 -1.386 0.543) 10.762 14.851 ( -7.336 -11.899 2.558) 14.211 15.002 ( 0.505 6.570 -1.179) 6.694 15.086 ( 1.894 -5.388 2.922) 6.415 15.621 ( 0.154 -15.718 0.617) 15.731 15.718 ( -0.463 -23.148 -0.988) 23.173 16.737 ( 6.910 9.484 7.089) 13.710 16.794 ( -2.444 4.130 -4.926) 6.877 17.059 ( 1.376 11.138 0.370) 11.229 17.235 ( 0.828 -5.660 -0.267) 5.727 18.614 ( -5.463 7.306 -5.420) 10.612 18.724 ( -1.611 -2.558 1.378) 3.322 18.999 ( 0.387 2.293 -0.950) 2.512 19.063 ( 1.665 -4.116 1.514) 4.691 19.682 ( -6.030 8.845 2.516) 10.997 19.727 ( -5.331 4.222 5.562) 8.785 20.198 ( -0.600 7.138 -1.916) 7.415 20.327 ( -1.212 -5.239 -2.027) 5.746 20.627 ( 1.457 6.965 -2.094) 7.418 20.766 ( -0.770 -6.137 -0.520) 6.207 21.626 ( 10.737 6.451 -3.119) 12.908 21.844 ( 11.898 -14.250 4.811) 19.178 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.684 2.603 10.673) 11.007 1.552 ( -1.245 -4.762 12.204) 13.159 1.731 ( -0.777 0.697 4.580) 4.697 1.872 ( -0.833 -11.509 8.039) 14.063 2.068 ( 0.524 5.723 0.931) 5.822 2.135 ( 2.705 -1.256 2.315) 3.775 2.399 ( -0.804 1.141 0.275) 1.423 2.443 ( 2.147 -2.761 1.897) 3.979 2.589 ( 4.980 2.690 -1.992) 6.001 2.661 ( 3.587 -3.716 -3.748) 6.382 2.829 ( 0.506 4.430 -1.446) 4.687 2.851 ( -0.962 1.535 1.635) 2.440 2.906 ( -1.133 3.255 -0.971) 3.581 2.982 ( -2.130 -2.382 -3.257) 4.563 3.120 ( -0.325 0.793 -5.635) 5.699 3.189 ( -0.833 -2.881 -0.557) 3.050 3.369 ( 0.220 1.660 -4.000) 4.337 3.395 ( 3.393 1.725 2.010) 4.305 3.503 ( 0.186 -4.854 -0.763) 4.917 3.565 ( 1.611 -7.161 0.258) 7.345 3.874 ( -1.158 5.852 -2.991) 6.674 3.951 ( -1.018 -2.531 -1.801) 3.269 4.142 ( -5.201 8.666 -7.163) 12.388 4.195 ( -7.818 5.892 -13.753) 16.882 4.349 ( 0.647 10.282 0.733) 10.328 4.462 ( 0.910 14.240 -3.284) 14.642 4.475 ( 1.190 3.001 2.372) 4.006 4.623 ( -1.243 -0.143 -3.152) 3.392 4.688 ( -2.914 -8.466 -4.998) 10.254 4.856 ( 5.988 -3.706 9.022) 11.445 5.079 ( -2.981 6.649 2.699) 7.771 5.114 ( 4.883 -3.100 1.383) 5.947 5.156 ( 3.632 -3.573 2.202) 5.550 5.303 ( 3.044 -10.248 4.195) 11.484 5.531 ( 4.045 1.614 2.020) 4.801 5.579 ( 1.070 -1.856 2.454) 3.258 5.822 ( 2.095 0.952 3.108) 3.867 5.881 ( 1.002 -3.818 3.559) 5.315 6.239 ( -3.045 -0.506 -7.625) 8.226 6.256 ( -3.778 -2.603 -7.468) 8.765 6.437 ( 1.004 0.649 4.735) 4.883 6.468 ( 0.573 -2.651 5.400) 6.043 6.647 ( -0.545 7.451 3.888) 8.422 6.813 ( 0.395 -2.523 2.274) 3.419 6.906 ( -0.405 3.645 -0.831) 3.761 7.043 ( 3.834 -5.197 0.816) 6.509 7.134 ( 0.439 1.770 -1.465) 2.339 7.168 ( -2.008 1.134 -2.516) 3.413 7.270 ( -2.739 5.100 3.063) 6.549 7.363 ( 0.399 -3.297 3.194) 4.608 7.486 ( -1.865 3.185 -1.756) 4.087 7.544 ( -2.695 0.101 -3.600) 4.498 7.630 ( -1.339 4.466 0.510) 4.690 7.751 ( -2.644 -7.438 -0.440) 7.906 8.072 ( 1.834 5.783 -1.225) 6.190 8.134 ( 1.194 -0.149 -1.804) 2.169 8.821 ( 1.630 6.811 0.547) 7.024 8.955 ( 6.495 -2.548 8.557) 11.041 9.137 ( -0.992 -4.722 -1.786) 5.145 9.176 ( 0.723 -6.065 1.218) 6.228 9.519 ( -1.895 2.599 -2.194) 3.893 9.617 ( -0.521 -4.082 2.487) 4.808 9.714 ( 3.641 -0.667 3.448) 5.058 9.783 ( 3.662 -5.303 5.252) 8.314 10.027 ( -0.790 -0.820 -0.392) 1.204 10.046 ( -0.614 -2.175 0.144) 2.265 10.462 ( -1.835 5.769 -3.692) 7.091 10.579 ( 0.748 -3.877 0.870) 4.043 10.713 ( 0.973 2.476 1.318) 2.969 10.820 ( 2.427 -5.693 4.636) 7.732 11.030 ( -0.423 7.774 -2.249) 8.104 11.074 ( -1.667 8.401 -2.202) 8.844 11.359 ( -1.667 1.659 -3.160) 3.939 11.493 ( -0.727 -8.202 2.346) 8.562 11.850 ( -18.893 16.500 -29.699) 38.875 11.977 ( -9.853 12.588 -13.708) 21.058 12.198 ( 2.174 37.385 3.613) 37.622 12.651 ( 14.033 -0.752 21.150) 25.394 12.853 ( -10.408 5.240 -13.355) 17.724 13.129 ( -0.872 -8.254 -1.442) 8.424 13.351 ( 2.318 6.333 3.665) 7.676 13.419 ( 4.198 -1.560 8.423) 9.539 13.715 ( -2.410 1.305 -3.532) 4.471 13.769 ( -0.160 -2.869 -6.685) 7.276 14.082 ( 4.411 -9.385 3.767) 11.033 14.160 ( 7.241 -20.478 -0.539) 21.728 14.546 ( -8.494 1.512 6.183) 10.614 14.680 ( -8.130 -16.894 3.684) 19.107 15.076 ( 7.317 1.095 10.067) 12.493 15.207 ( 8.247 -6.213 11.812) 15.689 15.608 ( 0.401 -10.498 0.600) 10.523 15.803 ( 6.775 -23.027 9.880) 25.957 16.659 ( -9.346 13.489 -14.112) 21.643 16.815 ( -0.628 -1.175 -3.440) 3.689 16.967 ( -9.390 12.152 -14.700) 21.259 17.185 ( -6.164 -8.591 -10.040) 14.580 18.560 ( 0.480 13.066 0.105) 13.075 18.763 ( 4.713 -5.675 8.520) 11.270 19.003 ( 1.665 8.104 1.570) 8.421 19.172 ( 7.082 -8.472 9.097) 14.307 19.552 ( -6.399 10.134 -1.805) 12.121 19.622 ( -4.640 3.245 1.729) 5.920 20.193 ( 0.235 5.926 -1.512) 6.120 20.296 ( -1.156 -3.796 0.077) 3.969 20.651 ( 0.767 5.537 -2.884) 6.290 20.748 ( -1.253 -3.685 -0.857) 3.986 21.794 ( 4.966 6.562 -3.805) 9.066 22.035 ( 6.041 -16.324 4.222) 17.911 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 5.879 2.613 9.555) 11.520 1.624 ( 7.768 -4.150 9.815) 13.187 1.796 ( 7.518 2.202 10.415) 13.033 1.921 ( 5.827 -9.000 10.325) 14.884 2.073 ( -0.038 7.540 0.943) 7.599 2.169 ( 0.668 -0.909 3.696) 3.864 2.394 ( 0.719 0.668 1.635) 1.907 2.458 ( -0.004 -5.051 2.304) 5.551 2.684 ( 2.334 3.558 0.395) 4.274 2.747 ( 4.209 -1.648 0.163) 4.523 2.800 ( -1.717 4.046 -0.535) 4.428 2.834 ( -1.694 1.753 0.597) 2.510 2.872 ( -3.074 3.142 -4.081) 5.998 2.927 ( -2.614 -2.667 -3.504) 5.121 3.130 ( 1.409 -1.754 -6.306) 6.695 3.150 ( -1.739 -2.992 -3.558) 4.963 3.289 ( -6.572 3.353 -3.488) 8.161 3.396 ( -4.992 -4.588 -2.356) 7.178 3.500 ( -1.155 0.558 0.097) 1.286 3.562 ( -0.947 -3.025 -1.547) 3.527 3.835 ( -2.107 2.441 -4.835) 5.811 3.872 ( -5.624 -0.894 -9.790) 11.325 4.058 ( -5.208 5.377 -7.791) 10.805 4.072 ( -1.796 4.332 -1.368) 4.885 4.384 ( 1.682 10.462 0.460) 10.607 4.428 ( -2.443 1.931 -6.263) 6.994 4.511 ( 1.518 9.932 0.626) 10.067 4.563 ( -4.041 -6.185 0.379) 7.398 4.686 ( 1.879 2.565 -2.627) 4.124 4.923 ( -0.210 -5.256 4.725) 7.070 5.019 ( -0.369 5.547 0.949) 5.639 5.197 ( 3.669 -8.124 1.730) 9.080 5.256 ( 4.256 2.782 1.068) 5.196 5.433 ( 6.944 -9.441 6.355) 13.331 5.538 ( -2.523 3.514 6.446) 7.763 5.568 ( -1.363 0.401 4.180) 4.415 5.787 ( -3.852 -3.638 -0.468) 5.319 5.793 ( -8.417 -4.081 0.485) 9.366 6.242 ( 2.921 -1.138 -7.879) 8.480 6.256 ( 1.614 -2.603 -5.670) 6.444 6.494 ( 2.538 6.280 4.324) 8.036 6.545 ( 7.061 -0.484 7.894) 10.602 6.660 ( 2.580 6.131 5.363) 8.544 6.854 ( 0.167 5.608 1.682) 5.857 6.873 ( -0.202 -5.774 -0.794) 5.831 7.028 ( -4.107 -5.190 -1.750) 6.846 7.137 ( -0.302 1.593 -0.634) 1.741 7.154 ( 1.439 -1.589 -1.162) 2.439 7.237 ( -0.199 4.818 3.382) 5.890 7.338 ( -2.558 -5.375 -0.324) 5.962 7.468 ( 0.111 3.074 -0.366) 3.098 7.511 ( -0.902 -0.137 -2.608) 2.762 7.653 ( 3.551 4.501 -0.246) 5.739 7.762 ( 2.996 -6.515 -0.696) 7.205 8.066 ( -2.223 6.386 -1.333) 6.892 8.123 ( -2.325 0.149 -1.973) 3.053 8.862 ( 1.104 7.680 1.555) 7.914 9.057 ( 0.550 -9.441 0.920) 9.502 9.152 ( 4.814 4.012 6.948) 9.357 9.222 ( 4.442 -3.099 6.477) 8.444 9.476 ( -2.255 1.606 -3.457) 4.429 9.588 ( -2.118 -7.060 -1.085) 7.450 9.817 ( 6.051 1.155 7.869) 9.994 9.867 ( 4.443 -2.367 7.035) 8.651 10.005 ( -1.506 -2.217 -0.959) 2.847 10.025 ( -1.126 -3.454 -0.666) 3.694 10.457 ( 1.449 7.711 -1.038) 7.915 10.615 ( 2.957 -6.825 2.264) 7.775 10.743 ( 1.397 5.818 3.029) 6.707 10.865 ( 1.542 -4.992 3.368) 6.216 10.977 ( -5.766 11.656 -9.523) 16.118 11.046 ( 0.659 3.342 -0.367) 3.426 11.341 ( -0.115 5.054 -2.618) 5.693 11.399 ( -8.724 3.711 -13.987) 16.897 11.588 ( -5.292 -1.044 -9.502) 10.926 11.751 ( -10.582 -3.864 -17.164) 20.531 12.267 ( 3.897 41.418 2.115) 41.655 12.670 ( -6.625 21.712 -9.257) 24.515 12.885 ( 7.842 -11.932 12.265) 18.823 13.116 ( 0.294 -11.470 0.892) 11.508 13.386 ( -1.316 6.777 1.062) 6.985 13.449 ( -0.542 1.066 3.889) 4.069 13.653 ( -2.917 0.157 -3.561) 4.606 13.748 ( -0.642 -2.250 -4.101) 4.722 14.233 ( 9.397 -6.039 1.998) 11.347 14.350 ( 8.781 -16.939 -2.432) 19.234 14.452 ( 1.233 2.733 6.458) 7.120 14.554 ( -3.650 -15.230 6.174) 16.834 15.293 ( 12.736 -5.886 18.075) 22.881 15.392 ( 9.691 -13.515 16.893) 23.706 15.669 ( 5.661 1.679 8.444) 10.304 15.960 ( 7.795 -21.025 11.755) 25.318 16.425 ( -12.774 18.036 -16.793) 27.757 16.713 ( -13.895 12.135 -20.139) 27.312 16.719 ( -8.667 -9.265 -11.877) 17.379 16.983 ( -12.797 -12.992 -18.428) 25.925 18.622 ( 4.913 18.004 3.293) 18.950 18.886 ( 6.589 -6.202 9.341) 13.005 19.078 ( 5.158 12.532 7.995) 15.735 19.300 ( 3.202 -7.907 6.645) 10.813 19.439 ( -3.399 10.223 -4.790) 11.790 19.550 ( -1.829 -0.575 -0.687) 2.037 20.218 ( 2.373 5.214 -0.879) 5.796 20.301 ( 2.106 -2.668 0.359) 3.418 20.649 ( -1.167 4.209 -3.085) 5.348 20.713 ( -2.051 -1.937 -1.547) 3.218 21.820 ( -2.417 6.749 -2.892) 7.730 22.075 ( -2.357 -17.838 4.573) 18.565 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.377 7.108 7.260) 10.253 1.814 ( 9.330 -9.215 3.069) 13.468 2.012 ( 9.889 5.137 8.180) 13.823 2.072 ( 3.110 4.568 1.044) 5.624 2.102 ( 8.054 3.848 7.590) 11.716 2.189 ( 2.401 1.263 4.415) 5.182 2.436 ( 3.460 -2.654 3.576) 5.639 2.467 ( 1.493 -5.623 3.695) 6.892 2.618 ( -8.780 12.036 -6.602) 16.296 2.694 ( -5.770 3.758 -4.240) 8.087 2.739 ( -4.552 -0.065 -1.069) 4.676 2.825 ( -2.484 -5.653 -5.311) 8.144 2.890 ( 4.028 -0.498 6.022) 7.262 2.910 ( 3.246 -3.500 2.995) 5.635 3.121 ( -6.196 2.098 -1.024) 6.621 3.143 ( 0.142 0.549 -5.041) 5.073 3.191 ( 0.943 -4.384 -4.002) 6.011 3.243 ( -7.338 -8.161 -2.366) 11.227 3.430 ( -3.987 6.930 -0.287) 8.000 3.557 ( -0.279 -4.037 -0.057) 4.047 3.738 ( -6.165 2.804 -9.431) 11.611 3.798 ( -2.963 -2.219 -3.330) 4.979 3.956 ( -4.866 7.367 -4.219) 9.785 4.042 ( -1.304 0.144 0.035) 1.312 4.348 ( -2.823 1.728 -2.548) 4.177 4.436 ( 0.597 5.435 -2.021) 5.829 4.474 ( -1.212 -5.603 1.411) 5.904 4.587 ( 3.082 9.710 0.145) 10.188 4.702 ( -0.481 1.881 -2.626) 3.266 4.900 ( -0.906 -5.937 2.020) 6.336 5.038 ( 1.574 8.956 0.202) 9.095 5.256 ( 0.558 -8.354 -0.783) 8.409 5.285 ( -1.423 2.641 1.135) 3.208 5.390 ( -7.117 -6.197 2.009) 9.648 5.467 ( -5.280 5.665 2.716) 8.207 5.616 ( -1.586 -7.725 4.918) 9.294 5.708 ( 6.864 0.525 1.515) 7.049 5.764 ( 3.068 -3.309 2.681) 5.249 6.259 ( -1.682 0.987 -4.532) 4.934 6.293 ( 1.371 -2.706 -4.897) 5.760 6.517 ( 0.666 10.345 2.257) 10.610 6.645 ( 1.098 -0.157 3.526) 3.697 6.766 ( 5.973 1.518 2.757) 6.752 6.826 ( -1.968 4.279 1.719) 5.014 6.883 ( 0.971 -3.159 -0.317) 3.320 6.991 ( 0.698 -5.754 1.009) 5.883 7.122 ( -1.157 -0.027 0.104) 1.162 7.167 ( -0.170 -4.056 -0.351) 4.074 7.265 ( 2.504 3.579 4.099) 5.991 7.330 ( 2.185 -2.593 1.551) 3.729 7.466 ( -0.239 2.169 -0.251) 2.197 7.491 ( -0.811 0.195 -1.956) 2.126 7.755 ( 5.265 3.348 -1.385) 6.391 7.827 ( 2.234 -3.608 -4.581) 6.244 8.006 ( -2.889 5.120 -0.084) 5.879 8.053 ( -3.453 -0.117 -0.210) 3.462 8.842 ( -2.719 6.269 -0.964) 6.901 9.019 ( -2.693 -10.213 -1.683) 10.695 9.268 ( 4.064 9.806 5.946) 12.167 9.346 ( 6.036 1.281 8.092) 10.176 9.430 ( -2.035 -1.052 -2.976) 3.756 9.544 ( -1.141 -9.965 -2.169) 10.262 9.927 ( 1.938 -0.075 5.731) 6.050 9.949 ( 4.214 0.264 6.203) 7.504 9.963 ( -2.249 -1.927 -1.926) 3.533 10.026 ( 1.359 -5.071 1.019) 5.348 10.531 ( 6.260 11.873 5.747) 14.601 10.666 ( -1.734 2.941 -5.232) 6.247 10.721 ( -2.838 7.511 -4.845) 9.378 10.831 ( -1.089 4.956 -1.745) 5.366 10.956 ( 3.673 0.269 2.636) 4.529 11.106 ( 5.350 -1.653 5.647) 7.953 11.243 ( -5.736 -0.048 -12.482) 13.737 11.349 ( 0.351 1.374 -3.477) 3.755 11.476 ( -5.474 -6.888 -10.677) 13.835 11.635 ( -0.599 -10.987 -3.488) 11.543 12.348 ( 3.868 39.641 -0.011) 39.829 12.582 ( -2.103 33.995 -2.369) 34.142 12.971 ( 1.503 -11.826 3.676) 12.475 13.143 ( 1.265 -19.517 2.656) 19.737 13.293 ( -5.532 5.034 -2.415) 7.860 13.409 ( -3.397 -3.935 -1.873) 5.525 13.616 ( -0.996 2.928 -0.312) 3.108 13.753 ( 0.679 -2.190 -0.310) 2.313 14.415 ( 6.275 3.456 7.381) 10.286 14.452 ( 3.408 -7.855 0.059) 8.563 14.532 ( 5.793 -6.836 -2.401) 9.277 14.655 ( 11.714 -13.514 -2.194) 18.019 15.522 ( 8.707 -9.614 13.339) 18.605 15.637 ( 12.285 -15.352 20.081) 28.105 15.811 ( 6.607 7.409 11.179) 14.951 16.058 ( -1.944 -12.750 -1.518) 12.986 16.182 ( -8.053 20.235 -7.960) 23.187 16.426 ( -11.943 5.394 -15.822) 20.544 16.535 ( -6.423 -11.053 -6.707) 14.436 16.708 ( -12.138 -16.694 -16.441) 26.388 18.733 ( 5.258 19.693 0.429) 20.388 19.011 ( 4.972 -4.202 5.459) 8.496 19.174 ( 2.469 10.659 6.078) 12.516 19.263 ( -3.480 2.589 -3.775) 5.750 19.441 ( 2.374 5.699 -1.672) 6.396 19.571 ( 3.206 -5.470 4.125) 7.564 20.292 ( 4.680 6.608 0.231) 8.101 20.385 ( 5.314 -1.337 0.781) 5.535 20.606 ( -2.119 2.177 -3.376) 4.542 20.670 ( -2.257 -2.923 -2.543) 4.484 21.704 ( -8.325 5.389 -1.286) 10.001 21.936 ( -11.131 -17.581 5.925) 21.635 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -2.421 16.922 5.873) 18.075 1.944 ( 1.249 -11.506 0.136) 11.575 2.056 ( 0.686 9.905 -2.699) 10.289 2.170 ( 0.992 10.589 0.257) 10.639 2.235 ( 3.444 -4.664 -0.212) 5.802 2.290 ( 3.654 2.226 -0.052) 4.279 2.402 ( -2.751 8.535 -2.826) 9.402 2.511 ( -0.842 -0.105 -3.418) 3.522 2.527 ( -0.207 1.648 -1.414) 2.182 2.624 ( 0.827 -6.014 -4.410) 7.504 2.730 ( 3.119 -2.330 4.851) 6.220 2.765 ( 1.163 -6.948 -2.948) 7.637 2.874 ( -6.151 1.311 -1.439) 6.452 2.969 ( -1.213 -3.706 4.746) 6.143 3.012 ( -4.978 -0.649 4.114) 6.491 3.062 ( -0.123 -5.717 5.413) 7.874 3.211 ( 2.146 -0.441 0.490) 2.244 3.217 ( -2.981 0.004 -1.782) 3.473 3.413 ( 2.417 5.528 1.650) 6.255 3.543 ( -0.356 -3.788 0.749) 3.877 3.653 ( 0.202 3.183 -3.204) 4.521 3.726 ( -2.689 -2.141 -0.599) 3.489 3.876 ( -2.318 9.737 -0.998) 10.059 4.021 ( -0.642 -2.917 0.582) 3.043 4.313 ( -0.710 1.896 -0.100) 2.027 4.439 ( 0.403 -7.753 3.133) 8.372 4.479 ( 0.798 6.008 -2.471) 6.545 4.621 ( 0.145 0.641 -2.667) 2.747 4.685 ( -0.757 8.172 -1.493) 8.341 4.895 ( 0.130 -5.378 -0.725) 5.428 5.072 ( 0.992 6.124 -2.290) 6.613 5.170 ( -4.356 2.781 -2.857) 5.905 5.247 ( -6.515 -7.989 -1.672) 10.443 5.272 ( -1.864 -3.313 -1.782) 4.198 5.385 ( -1.710 4.048 4.175) 6.062 5.554 ( -3.292 -10.154 3.128) 11.123 5.844 ( 3.783 7.610 1.996) 8.730 5.930 ( 10.412 0.302 2.127) 10.632 6.184 ( -5.103 1.717 -3.688) 6.526 6.299 ( -0.008 -6.693 -2.528) 7.154 6.539 ( 0.919 9.717 1.932) 9.950 6.664 ( 1.632 0.498 0.595) 1.807 6.776 ( -0.714 -0.210 0.640) 0.981 6.838 ( 0.011 -5.014 1.264) 5.171 6.898 ( 0.551 6.965 1.424) 7.131 7.002 ( -1.065 -2.905 2.310) 3.861 7.086 ( -2.156 0.636 -0.625) 2.333 7.189 ( 2.120 -8.167 -1.503) 8.571 7.313 ( 1.465 3.702 3.762) 5.478 7.371 ( 0.320 -1.856 0.561) 1.965 7.475 ( 1.514 2.227 0.522) 2.744 7.492 ( 0.947 0.973 1.459) 1.993 7.821 ( 0.917 2.292 -2.466) 3.489 7.839 ( 0.212 0.986 -3.565) 3.705 7.984 ( 0.761 1.705 0.440) 1.918 8.018 ( -0.112 -1.350 0.902) 1.628 8.780 ( -2.556 7.324 -1.089) 7.833 8.972 ( -1.518 -10.558 -0.101) 10.667 9.270 ( -3.085 8.044 -4.572) 9.753 9.359 ( -4.312 -0.418 -6.363) 7.697 9.449 ( 3.483 1.762 5.297) 6.580 9.585 ( 3.797 -10.155 5.077) 11.972 9.914 ( -2.162 -1.034 -2.160) 3.226 9.921 ( -2.956 -0.633 -1.450) 3.353 9.993 ( 0.278 -0.579 1.811) 1.921 10.042 ( -0.444 -4.566 -0.092) 4.588 10.537 ( -5.392 12.153 -10.979) 17.243 10.675 ( 1.179 1.186 -0.532) 1.755 10.749 ( 7.355 11.747 8.865) 16.452 10.839 ( 0.315 5.184 1.211) 5.333 11.017 ( 0.831 2.319 -0.195) 2.472 11.113 ( -4.559 1.498 -9.833) 10.941 11.247 ( 5.045 -3.833 4.613) 7.838 11.392 ( 5.979 -7.725 5.198) 11.065 11.478 ( 5.018 -1.961 3.410) 6.376 11.667 ( 3.712 -12.394 0.986) 12.975 12.418 ( 2.624 33.424 -1.363) 33.554 12.582 ( 2.437 37.643 4.748) 38.020 12.979 ( -0.538 -6.377 1.474) 6.567 13.119 ( -3.694 -17.150 -5.879) 18.502 13.223 ( -0.970 -4.198 0.825) 4.386 13.356 ( -0.802 -8.480 -1.998) 8.749 13.592 ( -1.216 6.409 -0.385) 6.534 13.762 ( 0.092 -4.046 1.664) 4.376 14.469 ( -0.680 -4.961 3.742) 6.251 14.497 ( 1.294 2.572 4.598) 5.425 14.745 ( 11.232 -3.011 -7.899) 14.057 14.867 ( 8.564 -12.158 -6.347) 16.169 15.556 ( -9.413 -9.287 -11.505) 17.528 15.660 ( -9.633 -12.073 -12.485) 19.860 15.861 ( -10.068 4.300 -11.670) 16.001 16.007 ( 9.260 -4.831 12.557) 16.333 16.118 ( -0.119 17.014 1.952) 17.126 16.384 ( 9.754 -6.113 13.176) 17.496 16.443 ( -2.690 -4.571 -3.029) 6.108 16.664 ( 8.989 -17.335 13.641) 23.820 18.817 ( 2.606 17.968 -4.519) 18.710 19.060 ( -0.921 0.995 -3.132) 3.413 19.138 ( -3.890 5.775 -7.999) 10.605 19.234 ( -0.870 -4.034 -0.927) 4.229 19.547 ( 7.904 8.828 2.915) 12.203 19.653 ( 4.916 -1.264 4.056) 6.497 20.356 ( -1.370 10.472 4.961) 11.669 20.465 ( 4.079 5.622 -2.304) 7.318 20.586 ( -4.273 -6.226 1.675) 7.735 20.665 ( 5.780 -8.507 -5.351) 11.594 21.513 ( -8.930 2.302 1.156) 9.295 21.646 ( -15.660 -11.830 7.712) 21.087 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -7.272 0.000 21.543) 22.737 1.279 ( 7.242 0.000 19.763) 21.049 1.527 ( 11.124 0.000 -2.349) 11.370 1.656 ( -2.621 0.000 -5.098) 5.732 2.028 ( 2.097 0.000 -0.753) 2.228 2.051 ( 8.530 0.000 9.134) 12.498 2.179 ( -1.721 0.000 4.321) 4.651 2.193 ( 0.388 0.000 0.028) 0.389 2.485 ( -0.753 0.000 7.883) 7.919 2.543 ( 4.728 0.000 1.329) 4.912 2.656 ( -3.686 0.000 -2.203) 4.294 2.737 ( -4.721 0.000 -7.261) 8.661 2.891 ( -1.393 0.000 -3.347) 3.626 2.974 ( -2.151 0.000 -7.376) 7.684 3.119 ( 0.799 0.000 -2.392) 2.522 3.127 ( 0.838 0.000 2.454) 2.593 3.167 ( -0.887 0.000 1.461) 1.709 3.347 ( 5.214 0.000 1.468) 5.417 3.470 ( -1.934 0.000 -4.011) 4.453 3.521 ( -1.374 0.000 -3.062) 3.356 3.649 ( -3.176 0.000 -4.549) 5.548 3.703 ( -1.162 0.000 -3.579) 3.763 4.010 ( 4.241 0.000 3.320) 5.386 4.088 ( 0.394 0.000 -0.938) 1.017 4.226 ( -1.463 0.000 -6.890) 7.044 4.387 ( 11.669 0.000 11.534) 16.407 4.527 ( -6.334 0.000 -1.755) 6.573 4.599 ( -10.818 0.000 -3.648) 11.416 4.872 ( 3.057 0.000 8.078) 8.637 4.892 ( 0.815 0.000 -0.292) 0.866 4.975 ( 0.689 0.000 -4.981) 5.029 5.028 ( 0.480 0.000 -1.119) 1.217 5.379 ( -6.319 0.000 4.589) 7.809 5.427 ( -2.267 0.000 3.821) 4.443 5.530 ( 2.981 0.000 -6.507) 7.157 5.711 ( -4.780 0.000 -4.295) 6.427 5.862 ( -2.980 0.000 -1.015) 3.148 5.921 ( 0.392 0.000 -3.945) 3.964 6.296 ( 5.591 0.000 2.505) 6.126 6.339 ( -4.476 0.000 -0.053) 4.477 6.469 ( 4.425 0.000 4.052) 6.000 6.674 ( -2.796 0.000 -4.414) 5.225 6.693 ( -1.920 0.000 1.610) 2.506 6.757 ( -0.062 0.000 1.925) 1.926 6.762 ( 0.697 0.000 -0.712) 0.997 6.813 ( -0.415 0.000 -1.792) 1.840 6.903 ( 0.062 0.000 0.879) 0.881 7.181 ( 3.311 0.000 3.888) 5.107 7.267 ( -1.062 0.000 0.826) 1.345 7.292 ( -3.166 0.000 -2.457) 4.007 7.419 ( -0.638 0.000 0.621) 0.890 7.588 ( 6.766 0.000 6.313) 9.254 7.744 ( -1.433 0.000 0.168) 1.443 7.837 ( 0.614 0.000 -3.059) 3.120 7.885 ( -3.304 0.000 -1.205) 3.517 7.943 ( -3.079 0.000 -3.322) 4.529 8.820 ( 1.298 0.000 0.476) 1.383 8.964 ( -0.056 0.000 -0.659) 0.661 9.090 ( 0.024 0.000 -0.769) 0.769 9.160 ( 0.330 0.000 -0.308) 0.452 9.423 ( 2.401 0.000 1.810) 3.007 9.665 ( -2.110 0.000 -2.270) 3.099 9.762 ( 8.128 0.000 9.760) 12.701 9.997 ( -7.210 0.000 -7.579) 10.461 10.096 ( 19.848 0.000 28.593) 34.807 10.298 ( 3.599 0.000 2.717) 4.510 10.324 ( -1.848 0.000 -0.500) 1.914 10.359 ( 0.125 0.000 -1.018) 1.026 10.485 ( -0.532 0.000 -1.584) 1.671 10.672 ( 0.361 0.000 -0.906) 0.975 10.840 ( 0.038 0.000 0.264) 0.267 10.906 ( -26.333 0.000 -35.938) 44.553 10.992 ( 4.399 0.000 3.391) 5.554 11.138 ( 8.433 0.000 2.340) 8.751 11.412 ( 3.694 0.000 -1.947) 4.176 11.750 ( 6.353 0.000 -0.381) 6.365 11.901 ( -3.882 0.000 -4.798) 6.171 12.044 ( -6.804 0.000 -2.851) 7.377 12.851 ( -0.062 0.000 2.349) 2.350 13.054 ( 1.948 0.000 1.039) 2.207 13.283 ( 7.639 0.000 9.092) 11.875 13.396 ( 1.079 0.000 1.418) 1.782 13.479 ( -0.775 0.000 -1.084) 1.333 13.574 ( -8.138 0.000 -12.277) 14.729 14.650 ( 8.321 0.000 16.337) 18.334 14.965 ( 5.143 0.000 19.952) 20.604 15.136 ( 16.633 0.000 20.042) 26.044 15.288 ( 4.701 0.000 -8.524) 9.734 15.573 ( -15.520 0.000 -18.535) 24.175 15.744 ( -16.828 0.000 -28.919) 33.459 16.282 ( 9.296 0.000 12.236) 15.367 16.753 ( -3.592 0.000 -3.905) 5.306 16.791 ( -0.206 0.000 0.210) 0.294 17.014 ( 1.287 0.000 0.539) 1.395 17.309 ( -3.713 0.000 -4.835) 6.096 17.515 ( -0.723 0.000 -0.965) 1.206 17.994 ( 26.523 0.000 6.312) 27.264 18.179 ( -11.520 0.000 -5.016) 12.564 18.434 ( 8.135 0.000 12.317) 14.761 18.685 ( -6.009 0.000 -9.607) 11.332 18.838 ( 13.778 0.000 11.262) 17.795 19.655 ( -4.006 0.000 -6.385) 7.538 19.981 ( -1.976 0.000 3.516) 4.033 20.156 ( 1.842 0.000 -3.224) 3.713 20.849 ( -1.995 0.000 2.925) 3.540 21.019 ( -3.384 0.000 -4.291) 5.465 21.721 ( 4.984 0.000 3.793) 6.263 22.334 ( -20.498 0.000 -2.437) 20.643 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 9.610 0.000 20.076) 22.258 1.408 ( 1.906 0.000 2.919) 3.486 1.639 ( 3.130 0.000 5.427) 6.265 1.798 ( 15.374 0.000 -11.725) 19.335 1.914 ( -9.514 0.000 -7.407) 12.057 2.147 ( -2.308 0.000 -11.621) 11.848 2.171 ( -1.645 0.000 6.563) 6.766 2.264 ( 6.280 0.000 1.240) 6.401 2.524 ( -5.013 0.000 -6.845) 8.485 2.584 ( 1.922 0.000 10.557) 10.731 2.618 ( 2.837 0.000 2.181) 3.578 2.684 ( 4.309 0.000 2.548) 5.006 2.862 ( -1.521 0.000 -0.218) 1.537 2.905 ( -2.840 0.000 -0.629) 2.909 3.092 ( -1.986 0.000 -2.496) 3.190 3.121 ( -1.842 0.000 2.709) 3.276 3.232 ( 4.947 0.000 -4.326) 6.572 3.378 ( 0.100 0.000 -5.225) 5.226 3.492 ( 2.774 0.000 -0.513) 2.821 3.518 ( 0.101 0.000 -0.111) 0.151 3.645 ( 3.050 0.000 1.391) 3.353 3.687 ( -0.375 0.000 -1.510) 1.556 3.920 ( -13.894 0.000 -1.862) 14.019 4.109 ( 2.225 0.000 3.986) 4.565 4.145 ( -0.189 0.000 -10.472) 10.474 4.338 ( -13.241 0.000 -7.992) 15.466 4.566 ( 4.022 0.000 8.944) 9.807 4.609 ( 8.239 0.000 7.324) 11.024 4.893 ( 1.886 0.000 4.659) 5.026 4.946 ( 2.929 0.000 3.275) 4.393 5.021 ( 1.542 0.000 -0.887) 1.779 5.066 ( 6.041 0.000 -8.193) 10.179 5.302 ( -1.283 0.000 8.562) 8.658 5.388 ( -1.534 0.000 7.206) 7.368 5.545 ( -0.618 0.000 -6.486) 6.516 5.732 ( 3.610 0.000 2.816) 4.578 5.919 ( 6.985 0.000 5.255) 8.741 5.929 ( 0.451 0.000 -3.516) 3.545 6.222 ( -4.512 0.000 -0.857) 4.592 6.439 ( 6.263 0.000 1.434) 6.425 6.492 ( -2.114 0.000 -4.561) 5.027 6.628 ( -2.768 0.000 1.664) 3.230 6.668 ( 1.780 0.000 0.743) 1.928 6.762 ( 0.127 0.000 1.169) 1.176 6.822 ( 3.839 0.000 2.073) 4.363 6.848 ( 4.285 0.000 0.629) 4.331 6.901 ( -0.248 0.000 0.609) 0.657 7.190 ( -3.864 0.000 -3.668) 5.328 7.234 ( -1.888 0.000 1.920) 2.693 7.279 ( 3.166 0.000 5.079) 5.985 7.404 ( -0.824 0.000 1.511) 1.721 7.504 ( -14.021 0.000 -6.216) 15.337 7.715 ( 1.633 0.000 4.291) 4.591 7.781 ( -2.671 0.000 -1.449) 3.039 7.910 ( -0.754 0.000 0.711) 1.036 7.988 ( 6.981 0.000 1.261) 7.094 8.846 ( 1.142 0.000 -2.141) 2.426 8.965 ( 0.140 0.000 -0.578) 0.595 9.098 ( 0.733 0.000 -0.675) 0.996 9.147 ( -1.395 0.000 -0.915) 1.669 9.428 ( -2.004 0.000 -3.286) 3.849 9.654 ( 1.335 0.000 2.258) 2.623 9.795 ( -6.545 0.000 -8.409) 10.656 9.981 ( 7.271 0.000 8.449) 11.147 10.265 ( -11.875 0.000 -17.018) 20.751 10.268 ( -10.910 0.000 -11.054) 15.531 10.341 ( 3.616 0.000 3.417) 4.976 10.350 ( -1.397 0.000 -1.613) 2.134 10.460 ( -2.325 0.000 -1.317) 2.672 10.660 ( -1.681 0.000 -2.512) 3.023 10.705 ( 19.511 0.000 28.746) 34.742 10.791 ( -8.613 0.000 -3.979) 9.487 10.936 ( -4.696 0.000 -5.570) 7.286 11.115 ( -7.151 0.000 -7.779) 10.567 11.313 ( -4.119 0.000 0.334) 4.132 11.717 ( -4.443 0.000 -5.256) 6.882 11.836 ( 0.624 0.000 4.922) 4.961 12.226 ( 8.192 0.000 3.807) 9.033 12.825 ( -1.933 0.000 1.142) 2.245 13.107 ( 2.534 0.000 -1.869) 3.149 13.326 ( -7.470 0.000 -9.330) 11.953 13.399 ( -0.142 0.000 -0.562) 0.579 13.482 ( 1.313 0.000 0.085) 1.316 13.506 ( 5.971 0.000 7.888) 9.893 14.798 ( 7.503 0.000 4.313) 8.654 15.146 ( -6.826 0.000 -9.127) 11.397 15.211 ( -17.303 0.000 -21.582) 27.662 15.310 ( 8.519 0.000 -2.746) 8.951 15.494 ( 15.803 0.000 20.938) 26.232 15.582 ( 3.487 0.000 8.019) 8.744 16.339 ( -5.113 0.000 -7.618) 9.175 16.734 ( -4.544 0.000 1.258) 4.715 16.735 ( 2.630 0.000 4.061) 4.839 17.042 ( 1.116 0.000 -2.181) 2.450 17.289 ( 2.018 0.000 2.855) 3.496 17.511 ( 0.315 0.000 0.430) 0.533 17.829 ( -17.496 0.000 -17.142) 24.494 18.422 ( 10.026 0.000 -0.736) 10.053 18.515 ( -6.095 0.000 -9.230) 11.061 18.612 ( 4.780 0.000 7.712) 9.073 18.878 ( -9.241 0.000 -14.954) 17.579 19.911 ( 18.050 0.000 -0.526) 18.058 19.943 ( -1.441 0.000 3.558) 3.839 20.210 ( 3.022 0.000 -3.149) 4.364 20.593 ( -15.142 0.000 12.015) 19.330 20.993 ( -2.282 0.000 -6.062) 6.477 21.364 ( -12.362 0.000 6.855) 14.135 22.562 ( 21.492 0.000 17.020) 27.415 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -7.735 0.000 -2.274) 8.062 1.440 ( 11.005 0.000 10.727) 15.368 1.693 ( -9.265 0.000 -4.950) 10.504 1.795 ( 6.919 0.000 0.816) 6.967 2.074 ( 2.540 0.000 -9.936) 10.256 2.115 ( -2.873 0.000 2.758) 3.983 2.116 ( 3.281 0.000 -17.839) 18.138 2.316 ( 3.391 0.000 2.500) 4.213 2.413 ( -5.392 0.000 -4.337) 6.920 2.515 ( -0.485 0.000 -4.716) 4.741 2.738 ( 1.261 0.000 -1.124) 1.689 2.755 ( -1.996 0.000 3.866) 4.351 2.827 ( -1.861 0.000 1.618) 2.466 2.877 ( -0.490 0.000 1.655) 1.726 3.086 ( 1.448 0.000 0.349) 1.490 3.110 ( 2.949 0.000 1.481) 3.300 3.265 ( -3.290 0.000 -4.917) 5.916 3.438 ( 4.190 0.000 -6.126) 7.422 3.550 ( 3.343 0.000 7.170) 7.911 3.576 ( 7.794 0.000 8.206) 11.317 3.677 ( -1.155 0.000 0.552) 1.280 3.712 ( -2.573 0.000 -0.243) 2.584 3.719 ( 3.001 0.000 1.139) 3.210 4.089 ( -10.106 0.000 -8.408) 13.147 4.152 ( 0.204 0.000 -6.894) 6.897 4.191 ( 5.730 0.000 7.570) 9.494 4.540 ( -5.110 0.000 -0.530) 5.138 4.688 ( -0.320 0.000 2.489) 2.510 4.946 ( -2.056 0.000 -3.484) 4.046 4.978 ( 4.904 0.000 11.218) 12.242 5.172 ( 9.617 0.000 3.427) 10.210 5.198 ( 6.234 0.000 -8.908) 10.873 5.314 ( 2.033 0.000 3.477) 4.028 5.369 ( -0.041 0.000 7.295) 7.295 5.528 ( -0.472 0.000 -3.864) 3.893 5.778 ( 1.280 0.000 8.861) 8.953 5.939 ( 0.579 0.000 -1.926) 2.011 6.002 ( -1.035 0.000 5.037) 5.142 6.230 ( 5.490 0.000 2.368) 5.979 6.435 ( -2.860 0.000 -6.741) 7.322 6.537 ( 2.751 0.000 0.450) 2.788 6.594 ( -0.962 0.000 0.417) 1.048 6.696 ( 0.709 0.000 -0.059) 0.712 6.770 ( 0.837 0.000 3.043) 3.156 6.893 ( -0.207 0.000 0.011) 0.208 6.909 ( 4.804 0.000 6.957) 8.454 6.967 ( 5.664 0.000 0.128) 5.666 7.099 ( -3.971 0.000 -0.863) 4.063 7.146 ( -12.683 0.000 -7.312) 14.640 7.253 ( -1.736 0.000 0.359) 1.773 7.348 ( 2.807 0.000 3.718) 4.659 7.387 ( -0.659 0.000 2.101) 2.201 7.690 ( -2.311 0.000 -3.107) 3.872 7.815 ( 2.110 0.000 6.709) 7.033 7.898 ( 0.985 0.000 1.769) 2.025 8.061 ( -0.164 0.000 -2.187) 2.193 8.868 ( 1.042 0.000 -4.119) 4.248 8.968 ( 0.187 0.000 -0.515) 0.548 9.107 ( -2.471 0.000 -2.148) 3.274 9.118 ( 1.080 0.000 -0.805) 1.348 9.358 ( -4.234 0.000 -5.821) 7.198 9.650 ( -6.677 0.000 -10.393) 12.353 9.704 ( 2.558 0.000 3.359) 4.222 9.809 ( -19.928 0.000 -24.552) 31.622 10.136 ( 6.721 0.000 7.409) 10.003 10.191 ( -13.487 0.000 -13.593) 19.149 10.220 ( -2.300 0.000 -2.219) 3.196 10.401 ( 2.345 0.000 1.785) 2.947 10.408 ( -0.630 0.000 -0.835) 1.045 10.590 ( -1.143 0.000 -1.616) 1.980 10.689 ( -0.635 0.000 -0.276) 0.693 10.903 ( -2.212 0.000 -4.748) 5.238 10.967 ( -4.886 0.000 -4.063) 6.354 11.214 ( 26.441 0.000 38.944) 47.072 11.310 ( 1.310 0.000 6.326) 6.461 11.611 ( -5.313 0.000 -5.995) 8.010 11.871 ( 2.166 0.000 5.736) 6.132 12.301 ( 1.294 0.000 11.444) 11.517 12.785 ( -1.764 0.000 -1.138) 2.099 13.123 ( -3.981 0.000 -6.797) 7.877 13.174 ( -2.896 0.000 -4.726) 5.543 13.402 ( 0.085 0.000 -1.683) 1.685 13.521 ( 1.853 0.000 -0.236) 1.868 13.623 ( 2.648 0.000 4.023) 4.816 14.743 ( -10.947 0.000 -24.866) 27.169 14.892 ( -11.801 0.000 -14.693) 18.846 15.166 ( -2.861 0.000 -2.288) 3.663 15.232 ( 3.105 0.000 11.908) 12.306 15.775 ( 9.922 0.000 13.296) 16.590 15.949 ( 23.520 0.000 27.516) 36.198 16.149 ( -10.352 0.000 -14.460) 17.784 16.639 ( -4.312 0.000 -0.107) 4.314 16.809 ( 3.614 0.000 5.270) 6.390 17.032 ( -2.804 0.000 -4.465) 5.272 17.373 ( 5.090 0.000 7.026) 8.676 17.479 ( -15.519 0.000 -18.937) 24.484 17.530 ( 1.735 0.000 2.425) 2.981 18.343 ( -9.145 0.000 -12.948) 15.852 18.487 ( -2.901 0.000 -4.030) 4.966 18.631 ( -11.453 0.000 -13.634) 17.806 18.727 ( 5.033 0.000 7.645) 9.152 19.926 ( -0.275 0.000 1.906) 1.926 19.977 ( -3.614 0.000 18.849) 19.192 20.268 ( 2.328 0.000 -1.617) 2.835 20.509 ( -0.461 0.000 -1.296) 1.375 20.979 ( 2.079 0.000 -7.186) 7.481 21.350 ( 5.700 0.000 -1.920) 6.015 22.932 ( 14.001 0.000 15.146) 20.626 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -4.543 0.000 0.892) 4.629 1.498 ( -8.187 0.000 -6.945) 10.736 1.594 ( 2.623 0.000 1.067) 2.832 1.907 ( 2.267 0.000 -0.246) 2.280 2.030 ( -4.550 0.000 -10.337) 11.294 2.080 ( -2.942 0.000 -9.689) 10.126 2.081 ( 0.110 0.000 0.361) 0.377 2.324 ( -2.805 0.000 -1.842) 3.356 2.447 ( 4.294 0.000 4.939) 6.544 2.547 ( 1.894 0.000 -3.346) 3.845 2.624 ( -5.238 0.000 -1.882) 5.566 2.746 ( -0.971 0.000 -0.745) 1.224 2.801 ( 0.233 0.000 -0.189) 0.299 2.937 ( 5.218 0.000 6.615) 8.426 3.138 ( 3.340 0.000 3.030) 4.510 3.153 ( 0.564 0.000 -2.009) 2.086 3.192 ( -3.460 0.000 -6.067) 6.984 3.409 ( -5.305 0.000 -4.069) 6.685 3.607 ( -0.166 0.000 4.405) 4.408 3.664 ( -0.579 0.000 0.983) 1.141 3.689 ( 3.341 0.000 6.559) 7.361 3.768 ( 3.664 0.000 2.742) 4.577 3.857 ( 9.950 0.000 0.674) 9.973 3.965 ( -2.027 0.000 -5.561) 5.919 4.147 ( -0.465 0.000 -4.943) 4.965 4.347 ( 9.351 0.000 14.261) 17.053 4.413 ( -6.095 0.000 -4.109) 7.351 4.658 ( -1.681 0.000 -0.136) 1.687 4.879 ( -3.997 0.000 -7.141) 8.184 5.052 ( 1.685 0.000 10.788) 10.919 5.257 ( -1.362 0.000 -2.660) 2.988 5.277 ( 1.419 0.000 -1.528) 2.085 5.349 ( 0.536 0.000 -1.825) 1.902 5.411 ( 3.930 0.000 -1.944) 4.384 5.598 ( 5.891 0.000 -0.476) 5.910 5.782 ( -0.443 0.000 11.537) 11.545 5.951 ( 0.471 0.000 -0.542) 0.718 6.006 ( 3.906 0.000 7.129) 8.129 6.298 ( -0.816 0.000 -2.912) 3.024 6.376 ( -2.925 0.000 -4.577) 5.432 6.508 ( -4.711 0.000 -0.272) 4.719 6.592 ( 1.420 0.000 0.752) 1.607 6.702 ( 0.060 0.000 -0.748) 0.750 6.795 ( 1.470 0.000 3.304) 3.616 6.882 ( -1.118 0.000 -2.019) 2.308 6.926 ( -6.242 0.000 -5.421) 8.267 7.005 ( -0.717 0.000 -0.787) 1.065 7.045 ( 6.983 0.000 14.077) 15.714 7.096 ( 2.372 0.000 4.860) 5.408 7.303 ( 5.070 0.000 -4.533) 6.800 7.363 ( -0.077 0.000 0.265) 0.276 7.404 ( 1.221 0.000 2.160) 2.481 7.665 ( -0.111 0.000 -2.394) 2.396 7.714 ( -9.510 0.000 0.252) 9.513 7.991 ( 4.164 0.000 3.903) 5.708 8.049 ( 0.905 0.000 -2.074) 2.263 8.873 ( -0.879 0.000 -3.948) 4.045 8.971 ( 0.034 0.000 -0.571) 0.572 9.051 ( -2.648 0.000 -3.370) 4.286 9.130 ( -0.486 0.000 -2.854) 2.895 9.273 ( -3.315 0.000 -4.696) 5.748 9.475 ( -10.737 0.000 -13.037) 16.890 9.535 ( -4.357 0.000 -8.034) 9.139 9.771 ( 2.638 0.000 3.414) 4.314 9.964 ( -7.337 0.000 -9.413) 11.934 10.177 ( -1.679 0.000 -2.246) 2.804 10.253 ( 4.124 0.000 4.888) 6.395 10.408 ( 0.174 0.000 0.261) 0.314 10.435 ( 0.944 0.000 1.339) 1.638 10.609 ( 2.046 0.000 2.863) 3.519 10.685 ( -0.018 0.000 -0.814) 0.814 10.804 ( -5.054 0.000 -6.432) 8.180 10.938 ( -0.187 0.000 0.245) 0.308 11.340 ( 1.707 0.000 6.275) 6.503 11.519 ( -3.354 0.000 -5.978) 6.854 11.740 ( 23.414 0.000 34.527) 41.717 11.914 ( 1.805 0.000 3.193) 3.668 12.341 ( 3.271 0.000 14.200) 14.572 12.756 ( -1.296 0.000 -4.351) 4.540 13.007 ( -4.506 0.000 -5.776) 7.326 13.161 ( -0.810 0.000 0.355) 0.884 13.383 ( -2.058 0.000 -2.608) 3.322 13.536 ( -0.570 0.000 -0.842) 1.017 13.563 ( -7.665 0.000 -11.348) 13.694 14.557 ( -7.742 0.000 -11.541) 13.897 14.783 ( 0.995 0.000 2.002) 2.235 14.898 ( -9.512 0.000 -6.755) 11.667 15.564 ( 17.318 0.000 22.568) 28.447 15.765 ( -9.683 0.000 -14.428) 17.376 16.089 ( 4.153 0.000 6.647) 7.838 16.376 ( 15.087 0.000 14.924) 21.221 16.554 ( -3.607 0.000 -2.294) 4.275 16.874 ( 2.617 0.000 4.007) 4.785 16.913 ( -7.535 0.000 -9.550) 12.165 17.247 ( -6.315 0.000 -7.573) 9.861 17.455 ( 2.489 0.000 3.568) 4.351 17.590 ( 3.883 0.000 5.491) 6.725 18.161 ( -7.974 0.000 -10.990) 13.578 18.279 ( -12.742 0.000 -18.867) 22.766 18.539 ( -0.437 0.000 5.535) 5.552 18.810 ( 3.022 0.000 4.177) 5.156 19.929 ( 0.576 0.000 -0.029) 0.576 19.972 ( 2.860 0.000 10.823) 11.195 20.297 ( 0.412 0.000 0.079) 0.420 20.474 ( -1.448 0.000 -0.661) 1.592 20.987 ( -2.290 0.000 5.488) 5.947 21.477 ( 5.080 0.000 -13.678) 14.591 23.146 ( 7.229 0.000 8.537) 11.187 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.367 0.000 2.907) 3.212 1.391 ( -1.140 0.000 1.299) 1.728 1.523 ( -8.186 0.000 2.544) 8.572 1.916 ( -0.076 0.000 0.344) 0.352 1.932 ( -2.721 0.000 0.830) 2.845 2.080 ( 1.004 0.000 -8.355) 8.416 2.105 ( 1.639 0.000 -2.519) 3.005 2.304 ( 0.728 0.000 0.022) 0.728 2.459 ( -2.836 0.000 4.279) 5.133 2.543 ( -5.456 0.000 -0.524) 5.481 2.609 ( 5.926 0.000 -2.547) 6.450 2.717 ( -1.021 0.000 1.169) 1.552 2.827 ( 1.733 0.000 -1.997) 2.644 3.009 ( -1.652 0.000 8.243) 8.407 3.069 ( -5.241 0.000 -3.663) 6.394 3.178 ( 1.253 0.000 -4.231) 4.412 3.182 ( -0.450 0.000 -0.390) 0.595 3.307 ( -2.665 0.000 2.448) 3.619 3.599 ( 2.455 0.000 2.411) 3.441 3.653 ( -0.589 0.000 3.092) 3.148 3.749 ( 1.732 0.000 -1.149) 2.079 3.868 ( 4.278 0.000 4.077) 5.910 3.924 ( -3.964 0.000 -9.343) 10.149 3.949 ( -0.667 0.000 -4.899) 4.944 4.130 ( -1.308 0.000 -2.594) 2.905 4.357 ( 2.324 0.000 0.644) 2.411 4.533 ( 6.084 0.000 9.567) 11.338 4.622 ( -1.994 0.000 -3.335) 3.886 4.794 ( -3.245 0.000 -4.999) 5.960 5.041 ( -2.546 0.000 9.948) 10.269 5.212 ( -1.515 0.000 0.781) 1.704 5.287 ( -0.603 0.000 -1.603) 1.712 5.358 ( 0.776 0.000 -2.687) 2.797 5.482 ( 2.436 0.000 -7.001) 7.412 5.573 ( -5.800 0.000 2.023) 6.143 5.879 ( 7.423 0.000 3.022) 8.015 5.952 ( -0.601 0.000 -0.943) 1.118 6.158 ( 7.826 0.000 7.549) 10.874 6.207 ( -4.515 0.000 -9.418) 10.444 6.318 ( -2.265 0.000 0.648) 2.356 6.482 ( 1.765 0.000 3.571) 3.983 6.618 ( 0.855 0.000 -2.535) 2.675 6.703 ( 0.103 0.000 -0.627) 0.636 6.825 ( 1.401 0.000 2.502) 2.867 6.855 ( -0.941 0.000 -2.174) 2.369 6.876 ( 1.014 0.000 0.378) 1.082 7.002 ( -0.539 0.000 1.173) 1.291 7.077 ( -4.509 0.000 10.055) 11.019 7.106 ( -1.098 0.000 3.113) 3.301 7.370 ( -1.858 0.000 -10.731) 10.890 7.376 ( 0.992 0.000 -0.453) 1.091 7.415 ( 0.153 0.000 0.427) 0.454 7.606 ( 0.977 0.000 3.835) 3.957 7.715 ( 7.449 0.000 -0.030) 7.449 8.021 ( 0.142 0.000 1.254) 1.262 8.056 ( -2.593 0.000 -2.852) 3.854 8.840 ( -2.374 0.000 -1.600) 2.863 8.971 ( 0.006 0.000 -0.580) 0.580 9.021 ( 0.495 0.000 -0.863) 0.995 9.096 ( -1.368 0.000 -2.492) 2.842 9.246 ( -0.045 0.000 -0.711) 0.713 9.365 ( -0.263 0.000 -1.485) 1.508 9.471 ( -1.758 0.000 -2.524) 3.076 9.805 ( 0.494 0.000 0.391) 0.631 9.875 ( -1.735 0.000 -0.836) 1.926 10.159 ( 0.086 0.000 -0.753) 0.758 10.296 ( -0.046 0.000 0.909) 0.911 10.413 ( 0.246 0.000 -0.051) 0.252 10.439 ( -0.608 0.000 1.009) 1.178 10.653 ( 1.091 0.000 2.922) 3.119 10.684 ( 0.157 0.000 -1.770) 1.777 10.730 ( -1.186 0.000 -2.424) 2.699 10.935 ( -0.243 0.000 0.587) 0.635 11.391 ( 3.458 0.000 5.867) 6.810 11.470 ( -1.708 0.000 -5.946) 6.187 11.939 ( 0.616 0.000 0.382) 0.725 12.085 ( 6.676 0.000 10.823) 12.716 12.433 ( 4.775 0.000 7.796) 9.142 12.720 ( -1.652 0.000 -5.397) 5.644 12.968 ( 0.893 0.000 -1.641) 1.868 13.133 ( -1.710 0.000 2.871) 3.341 13.339 ( -1.345 0.000 -0.172) 1.356 13.429 ( -1.757 0.000 -5.739) 6.002 13.508 ( -1.606 0.000 1.736) 2.365 14.365 ( -9.449 0.000 4.068) 10.288 14.844 ( 1.996 0.000 2.638) 3.308 14.883 ( 5.829 0.000 -3.443) 6.769 15.597 ( -3.532 0.000 -4.832) 5.985 15.826 ( 3.780 0.000 7.405) 8.314 16.155 ( 1.120 0.000 2.190) 2.460 16.373 ( -3.600 0.000 -5.705) 6.746 16.631 ( 2.095 0.000 3.198) 3.823 16.828 ( 0.149 0.000 -2.859) 2.863 16.909 ( 0.532 0.000 1.181) 1.295 17.188 ( -0.345 0.000 0.455) 0.571 17.481 ( 0.192 0.000 0.725) 0.750 17.654 ( 1.234 0.000 1.739) 2.132 18.048 ( -2.002 0.000 -2.438) 3.154 18.094 ( -3.285 0.000 -4.555) 5.616 18.547 ( 0.812 0.000 4.747) 4.816 18.850 ( 0.799 0.000 0.399) 0.893 19.947 ( 1.175 0.000 -1.632) 2.011 20.070 ( 6.036 0.000 1.859) 6.316 20.281 ( -1.951 0.000 1.491) 2.456 20.476 ( 1.730 0.000 -0.899) 1.949 20.892 ( -6.273 0.000 10.142) 11.925 21.531 ( 0.278 0.000 -14.480) 14.483 23.239 ( 1.773 0.000 0.150) 1.779 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.820 0.000 13.340) 13.365 1.357 ( -6.094 0.000 17.077) 18.132 1.495 ( 10.109 0.000 5.072) 11.310 1.897 ( -2.078 0.000 -3.419) 4.000 1.903 ( -2.674 0.000 6.334) 6.875 1.997 ( -11.764 0.000 -8.002) 14.228 2.166 ( 4.236 0.000 -0.746) 4.301 2.312 ( -8.545 0.000 5.967) 10.422 2.342 ( 2.923 0.000 1.647) 3.355 2.463 ( 0.817 0.000 -1.855) 2.027 2.716 ( 0.658 0.000 0.653) 0.927 2.787 ( 7.518 0.000 0.293) 7.524 2.870 ( 2.539 0.000 -2.101) 3.295 2.877 ( -2.385 0.000 2.829) 3.700 3.080 ( 1.913 0.000 0.620) 2.011 3.123 ( -4.022 0.000 -3.334) 5.224 3.183 ( -1.095 0.000 0.867) 1.397 3.304 ( 1.062 0.000 3.127) 3.302 3.622 ( -3.717 0.000 1.681) 4.079 3.703 ( 4.937 0.000 2.342) 5.464 3.734 ( -2.414 0.000 -3.368) 4.143 3.778 ( -8.467 0.000 -11.048) 13.919 3.893 ( -2.296 0.000 -9.920) 10.183 3.957 ( 5.265 0.000 1.749) 5.548 4.105 ( -0.950 0.000 -1.429) 1.716 4.425 ( -10.675 0.000 -14.187) 17.755 4.494 ( 9.244 0.000 4.230) 10.166 4.663 ( 2.568 0.000 5.614) 6.173 4.808 ( 3.023 0.000 7.828) 8.391 4.970 ( -3.968 0.000 9.464) 10.262 5.167 ( -4.567 0.000 2.663) 5.287 5.227 ( -5.638 0.000 -7.458) 9.349 5.387 ( 2.132 0.000 -3.823) 4.378 5.489 ( -1.216 0.000 0.573) 1.345 5.503 ( -0.340 0.000 -5.694) 5.704 5.928 ( -1.245 0.000 -1.828) 2.212 6.007 ( 4.063 0.000 -1.850) 4.465 6.081 ( -4.693 0.000 -10.678) 11.664 6.263 ( -3.298 0.000 -0.711) 3.374 6.306 ( 1.315 0.000 5.166) 5.330 6.520 ( 0.106 0.000 1.337) 1.342 6.617 ( -0.088 0.000 -1.333) 1.336 6.708 ( 0.287 0.000 -0.938) 0.980 6.841 ( -0.430 0.000 0.329) 0.541 6.852 ( 0.565 0.000 0.249) 0.617 6.905 ( -2.064 0.000 7.066) 7.361 6.952 ( -3.966 0.000 0.245) 3.973 7.056 ( 9.426 0.000 1.184) 9.500 7.091 ( 0.157 0.000 0.948) 0.961 7.334 ( -1.144 0.000 -6.938) 7.031 7.379 ( -0.785 0.000 0.425) 0.893 7.424 ( 0.585 0.000 -0.870) 1.049 7.626 ( 1.603 0.000 2.533) 2.997 7.907 ( 4.949 0.000 1.834) 5.278 7.951 ( -3.518 0.000 -5.748) 6.739 8.033 ( 0.866 0.000 0.466) 0.983 8.784 ( -1.959 0.000 3.443) 3.962 8.970 ( -0.125 0.000 -0.527) 0.542 9.071 ( 3.414 0.000 0.670) 3.479 9.096 ( 0.508 0.000 0.837) 0.979 9.267 ( 2.773 0.000 2.240) 3.565 9.446 ( 7.752 0.000 8.663) 11.625 9.478 ( 2.962 0.000 4.976) 5.791 9.790 ( -1.831 0.000 -2.923) 3.449 9.912 ( 7.032 0.000 9.847) 12.100 10.182 ( 1.952 0.000 1.263) 2.325 10.256 ( -3.664 0.000 -2.786) 4.603 10.413 ( -0.248 0.000 -0.593) 0.643 10.413 ( -1.780 0.000 0.537) 1.859 10.615 ( -2.751 0.000 -2.543) 3.746 10.702 ( 0.859 0.000 -1.476) 1.708 10.783 ( 4.914 0.000 5.204) 7.158 10.924 ( -0.661 0.000 1.398) 1.546 11.437 ( -1.741 0.000 -5.611) 5.875 11.485 ( 5.485 0.000 5.695) 7.906 11.938 ( -18.415 0.000 -25.992) 31.854 11.941 ( -0.324 0.000 -1.596) 1.628 12.484 ( -1.120 0.000 -4.406) 4.547 12.740 ( 3.256 0.000 2.776) 4.278 13.023 ( 3.922 0.000 0.920) 4.028 13.093 ( -2.100 0.000 4.623) 5.078 13.335 ( 0.447 0.000 4.085) 4.109 13.496 ( 0.546 0.000 3.159) 3.206 13.539 ( 9.815 0.000 7.816) 12.547 14.261 ( 0.950 0.000 16.301) 16.329 14.819 ( -2.548 0.000 -4.610) 5.267 15.008 ( 3.895 0.000 7.140) 8.133 15.645 ( -16.318 0.000 -19.158) 25.166 15.667 ( 8.734 0.000 13.069) 15.718 16.125 ( -3.748 0.000 -4.525) 5.876 16.410 ( -4.675 0.000 -8.383) 9.598 16.579 ( 2.437 0.000 2.444) 3.452 16.891 ( 4.973 0.000 5.050) 7.088 16.891 ( -2.153 0.000 -2.276) 3.133 17.220 ( 4.197 0.000 5.317) 6.774 17.466 ( -1.703 0.000 -1.681) 2.393 17.623 ( -3.630 0.000 -5.046) 6.216 18.097 ( 6.105 0.000 9.080) 10.942 18.164 ( 8.671 0.000 13.254) 15.838 18.559 ( 0.037 0.000 3.709) 3.709 18.843 ( -1.494 0.000 -3.405) 3.719 19.976 ( 1.496 0.000 -2.368) 2.800 20.142 ( -2.827 0.000 2.057) 3.496 20.223 ( -3.478 0.000 2.203) 4.117 20.567 ( 8.689 0.000 -6.192) 10.670 20.799 ( -0.228 0.000 6.537) 6.541 21.497 ( -3.045 0.000 -11.229) 11.635 23.205 ( -5.944 0.000 -10.076) 11.698 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 2.564 0.000 22.316) 22.463 1.318 ( 1.510 0.000 23.661) 23.709 1.539 ( -20.807 0.000 3.028) 21.026 1.679 ( 3.479 0.000 0.839) 3.578 1.894 ( 5.093 0.000 -3.306) 6.072 1.951 ( 2.125 0.000 3.206) 3.847 2.202 ( -2.691 0.000 7.597) 8.060 2.219 ( -0.077 0.000 2.408) 2.409 2.432 ( 5.541 0.000 1.694) 5.795 2.513 ( 1.070 0.000 -1.769) 2.068 2.716 ( -1.324 0.000 -0.273) 1.352 2.775 ( -0.814 0.000 1.587) 1.784 2.912 ( 0.328 0.000 -5.297) 5.307 2.996 ( 2.290 0.000 -7.017) 7.381 3.077 ( 0.921 0.000 -0.515) 1.056 3.118 ( -0.764 0.000 3.428) 3.512 3.161 ( 4.082 0.000 -0.052) 4.082 3.295 ( -2.457 0.000 2.925) 3.820 3.523 ( -3.507 0.000 -2.706) 4.430 3.611 ( -6.954 0.000 -8.843) 11.249 3.719 ( 0.119 0.000 -1.230) 1.235 3.722 ( -2.568 0.000 -4.842) 5.481 3.897 ( 3.577 0.000 -5.358) 6.442 4.090 ( -0.523 0.000 -1.148) 1.262 4.138 ( 11.633 0.000 8.710) 14.533 4.253 ( -4.608 0.000 -9.748) 10.782 4.667 ( 5.512 0.000 1.281) 5.659 4.680 ( -2.696 0.000 1.507) 3.089 4.840 ( 0.040 0.000 8.433) 8.433 4.889 ( -3.370 0.000 7.284) 8.025 5.047 ( -4.418 0.000 1.101) 4.553 5.072 ( -7.994 0.000 -10.360) 13.086 5.438 ( 2.225 0.000 -3.845) 4.443 5.475 ( -2.159 0.000 -1.026) 2.390 5.492 ( 0.033 0.000 -2.487) 2.488 5.894 ( -10.343 0.000 -13.997) 17.404 5.915 ( -0.007 0.000 -2.770) 2.770 6.038 ( -11.014 0.000 -5.852) 12.472 6.169 ( 4.727 0.000 4.760) 6.708 6.368 ( 4.440 0.000 6.031) 7.489 6.456 ( -5.613 0.000 -0.553) 5.640 6.656 ( 3.127 0.000 -0.571) 3.178 6.712 ( -0.163 0.000 -2.433) 2.438 6.802 ( -3.725 0.000 0.505) 3.759 6.830 ( -4.712 0.000 1.041) 4.825 6.838 ( -1.624 0.000 -1.448) 2.176 6.901 ( -0.243 0.000 0.659) 0.703 7.118 ( 2.438 0.000 2.376) 3.404 7.266 ( 3.010 0.000 -0.373) 3.034 7.349 ( -2.166 0.000 -1.116) 2.437 7.375 ( 9.989 0.000 4.183) 10.829 7.428 ( -0.184 0.000 -0.399) 0.439 7.699 ( 4.678 0.000 2.296) 5.211 7.844 ( -2.808 0.000 -3.539) 4.517 7.956 ( -1.828 0.000 -3.400) 3.860 8.035 ( -2.997 0.000 -2.373) 3.823 8.789 ( 1.735 0.000 3.500) 3.907 8.966 ( -0.176 0.000 -0.598) 0.624 9.095 ( -0.391 0.000 -0.543) 0.669 9.132 ( 2.294 0.000 0.292) 2.313 9.349 ( 4.349 0.000 3.945) 5.871 9.594 ( 7.586 0.000 9.635) 12.263 9.671 ( 9.727 0.000 14.145) 17.167 9.760 ( 3.490 0.000 3.242) 4.763 10.141 ( -5.244 0.000 -5.163) 7.359 10.232 ( 2.846 0.000 2.153) 3.568 10.248 ( 18.738 0.000 11.922) 22.209 10.370 ( -2.292 0.000 -0.131) 2.296 10.428 ( 4.214 0.000 0.984) 4.327 10.588 ( 2.564 0.000 1.357) 2.901 10.732 ( 3.606 0.000 0.246) 3.614 10.857 ( 0.778 0.000 2.743) 2.851 10.951 ( 4.914 0.000 6.872) 8.448 11.396 ( -1.954 0.000 -5.160) 5.517 11.459 ( -26.253 0.000 -37.135) 45.478 11.607 ( 6.220 0.000 5.353) 8.206 11.927 ( -1.028 0.000 -3.266) 3.423 12.351 ( -12.325 0.000 -8.567) 15.010 12.814 ( 3.302 0.000 3.025) 4.478 13.048 ( -1.188 0.000 3.727) 3.912 13.135 ( 6.262 0.000 5.389) 8.262 13.358 ( 1.918 0.000 2.877) 3.457 13.498 ( -0.747 0.000 -0.114) 0.755 13.672 ( 0.628 0.000 -2.849) 2.917 14.419 ( 12.357 0.000 26.317) 29.074 14.859 ( 8.335 0.000 8.877) 12.177 15.001 ( -3.620 0.000 14.454) 14.900 15.328 ( -11.417 0.000 -16.523) 20.084 15.797 ( -2.537 0.000 -1.572) 2.984 16.087 ( 5.050 0.000 7.104) 8.716 16.118 ( -17.857 0.000 -28.052) 33.254 16.729 ( 6.254 0.000 2.821) 6.860 16.831 ( -3.547 0.000 -3.862) 5.244 16.980 ( 2.691 0.000 5.036) 5.710 17.404 ( -4.398 0.000 -5.489) 7.033 17.450 ( 20.119 0.000 17.522) 26.679 17.548 ( -2.777 0.000 -3.800) 4.706 18.257 ( 8.667 0.000 12.909) 15.549 18.329 ( 1.859 0.000 10.044) 10.214 18.581 ( 6.036 0.000 10.507) 12.117 18.788 ( -3.837 0.000 -6.943) 7.933 19.917 ( -15.888 0.000 -0.595) 15.899 20.000 ( 0.454 0.000 -0.512) 0.684 20.158 ( -2.185 0.000 0.533) 2.249 20.764 ( 7.220 0.000 -3.214) 7.904 20.964 ( 12.843 0.000 -3.243) 13.246 21.462 ( 3.639 0.000 -3.576) 5.102 22.930 ( -22.696 0.000 -18.681) 29.395 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -5.518 6.486 17.754) 19.690 1.431 ( 10.097 10.778 16.121) 21.863 1.643 ( 3.062 10.205 -6.257) 12.356 1.834 ( -1.907 12.264 -1.258) 12.475 2.089 ( 4.297 7.238 4.560) 9.573 2.153 ( 0.594 2.949 -1.807) 3.509 2.296 ( 1.543 8.833 0.228) 8.969 2.414 ( 1.397 13.809 -0.478) 13.888 2.467 ( -3.598 -0.602 0.269) 3.658 2.547 ( -0.758 7.581 3.223) 8.272 2.640 ( -0.634 -2.177 -3.115) 3.853 2.837 ( -0.006 0.076 -2.899) 2.900 2.893 ( 0.547 3.940 0.086) 3.978 3.041 ( -2.638 4.052 -0.743) 4.891 3.068 ( -1.886 -0.731 -1.837) 2.732 3.133 ( 0.477 -0.042 1.385) 1.465 3.171 ( 0.828 4.159 1.941) 4.664 3.284 ( 1.285 -7.171 0.084) 7.286 3.385 ( 3.050 -2.553 3.519) 5.311 3.467 ( -3.278 -7.996 -8.028) 11.795 3.491 ( -2.640 -1.834 -6.876) 7.590 3.804 ( -0.673 4.170 -1.195) 4.390 4.039 ( 4.101 -0.467 2.919) 5.056 4.126 ( 0.618 1.343 2.008) 2.493 4.253 ( 5.291 -6.687 2.376) 8.852 4.345 ( -3.284 -4.320 -5.563) 7.771 4.389 ( 9.090 -0.951 7.618) 11.898 4.579 ( -13.587 3.192 -8.876) 16.541 4.841 ( 1.992 -1.263 2.950) 3.777 4.884 ( -5.312 -5.991 -3.022) 8.558 5.021 ( 5.809 4.259 1.916) 7.454 5.065 ( 0.279 1.219 0.798) 1.484 5.329 ( -6.680 -7.168 1.377) 9.894 5.370 ( 1.719 -5.745 1.124) 6.101 5.516 ( -1.290 2.053 -0.495) 2.475 5.680 ( -3.313 -2.204 -4.874) 6.292 5.737 ( -0.972 -7.759 -0.838) 7.865 6.015 ( 1.356 2.472 0.817) 2.935 6.216 ( 0.519 -3.005 1.012) 3.213 6.295 ( -0.615 0.546 -1.626) 1.822 6.543 ( 1.816 -4.623 -0.864) 5.042 6.574 ( 0.208 1.772 2.090) 2.748 6.590 ( -1.094 -2.084 1.263) 2.672 6.779 ( -0.674 4.599 -3.209) 5.648 6.898 ( -1.200 7.588 1.518) 7.831 6.909 ( 0.688 5.420 0.010) 5.464 7.106 ( 4.983 3.588 5.249) 8.078 7.160 ( -2.600 -1.377 -0.204) 2.949 7.228 ( -2.309 3.625 -3.200) 5.359 7.335 ( -0.404 3.379 1.025) 3.554 7.357 ( -1.025 -1.434 -1.066) 2.060 7.629 ( 4.375 0.426 3.349) 5.526 7.755 ( 1.521 -0.248 4.326) 4.592 7.851 ( 1.019 0.861 -0.549) 1.442 7.858 ( -2.412 -0.830 -1.665) 3.046 7.926 ( -5.220 1.433 -5.902) 8.008 8.743 ( 2.594 -5.956 2.242) 6.873 9.076 ( -0.113 -6.173 -0.465) 6.192 9.162 ( -0.012 11.231 -0.738) 11.255 9.232 ( -0.298 7.599 -1.268) 7.709 9.546 ( -0.388 9.090 -1.081) 9.162 9.709 ( 1.208 -1.993 1.665) 2.864 9.742 ( 7.376 0.272 9.263) 11.844 9.940 ( -6.342 -1.839 -7.176) 9.752 10.146 ( 11.117 2.055 15.011) 18.792 10.235 ( 1.181 -5.019 1.960) 5.516 10.281 ( 4.547 3.383 6.189) 8.392 10.404 ( 0.445 5.268 -1.096) 5.399 10.491 ( -2.071 1.604 -2.184) 3.410 10.769 ( -6.254 -0.595 -9.859) 11.690 10.776 ( -8.651 4.997 -9.316) 13.660 10.915 ( -7.232 1.660 -7.463) 10.525 11.067 ( 3.256 6.926 4.856) 9.064 11.184 ( 0.648 3.395 -3.485) 4.908 11.474 ( 9.286 5.446 1.840) 10.921 11.759 ( 4.281 -1.493 0.877) 4.618 11.925 ( 8.861 1.797 -0.035) 9.041 12.119 ( -20.166 9.753 -13.490) 26.149 12.890 ( 0.970 3.421 2.709) 4.470 13.129 ( 1.765 6.494 1.494) 6.894 13.276 ( 3.381 -2.507 2.244) 4.770 13.379 ( -0.524 -3.596 0.176) 3.638 13.480 ( 2.113 6.400 4.442) 8.072 13.639 ( -0.714 3.347 -3.259) 4.726 14.457 ( 7.688 -11.292 15.142) 20.393 14.851 ( 1.896 -4.510 11.056) 12.090 15.087 ( -0.794 -11.222 -14.388) 18.264 15.254 ( -12.216 -9.423 -18.959) 24.443 15.659 ( 14.485 20.603 20.110) 32.229 16.025 ( -4.925 -2.849 -5.653) 8.021 16.355 ( 0.779 -6.819 1.208) 6.969 16.394 ( -1.803 -17.912 -7.081) 19.345 16.525 ( 4.145 -13.611 4.599) 14.953 16.685 ( -4.115 -17.327 -4.686) 18.416 16.996 ( 0.224 -31.563 0.056) 31.564 17.310 ( -3.667 -1.394 -4.765) 6.171 18.208 ( 13.442 13.336 1.933) 19.033 18.456 ( -5.078 14.599 -2.322) 15.631 18.804 ( 8.358 3.315 6.822) 11.286 18.825 ( 8.471 28.531 5.352) 30.239 19.030 ( -1.654 21.422 -3.723) 21.806 19.615 ( -3.315 -2.857 -5.502) 7.030 20.031 ( -2.077 4.904 3.554) 6.402 20.189 ( 2.180 3.224 -3.548) 5.267 20.811 ( -3.147 -3.753 2.966) 5.726 20.992 ( -2.024 -2.687 -3.842) 5.107 21.655 ( 2.758 -5.567 3.140) 6.961 22.119 ( -14.418 -17.867 2.609) 23.107 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 8.649 7.080 16.777) 20.159 1.591 ( -0.405 14.310 0.528) 14.325 1.762 ( 11.235 3.613 -2.271) 12.018 1.861 ( 5.790 10.366 1.976) 12.037 2.048 ( -7.227 7.251 -5.745) 11.740 2.182 ( -0.999 0.969 -1.905) 2.359 2.208 ( -3.321 5.542 -7.010) 9.533 2.424 ( 0.295 1.525 4.136) 4.418 2.532 ( 1.417 4.575 -5.316) 7.155 2.571 ( 3.463 1.564 3.645) 5.266 2.621 ( 0.261 4.343 1.202) 4.514 2.823 ( -1.715 3.106 2.219) 4.184 2.870 ( -0.367 7.329 -0.229) 7.341 2.972 ( -1.897 5.066 1.039) 5.508 3.053 ( 0.243 -0.172 1.494) 1.524 3.137 ( 0.096 -0.038 2.562) 2.564 3.219 ( 2.052 1.064 -3.681) 4.346 3.311 ( -0.273 -3.355 0.900) 3.484 3.438 ( 4.643 -4.246 -2.069) 6.623 3.461 ( 0.683 -5.167 -1.925) 5.556 3.479 ( 2.444 -3.450 -1.737) 4.571 3.779 ( -1.680 3.809 0.835) 4.246 4.075 ( -9.464 -2.002 -4.041) 10.483 4.106 ( -1.106 4.598 3.239) 5.732 4.164 ( -0.748 6.547 -6.485) 9.245 4.256 ( -10.482 -5.680 -11.561) 16.607 4.418 ( 2.303 -11.208 3.207) 11.883 4.637 ( 9.667 3.147 9.378) 13.831 4.836 ( 1.712 -7.503 2.361) 8.050 4.899 ( 2.719 -0.379 2.493) 3.708 5.055 ( -0.563 3.839 -3.470) 5.205 5.146 ( 5.025 0.075 -2.023) 5.418 5.212 ( -0.890 -5.004 5.537) 7.516 5.452 ( 1.293 3.574 7.022) 7.984 5.515 ( 1.041 -3.440 -3.163) 4.788 5.647 ( 2.552 -6.841 2.293) 7.654 5.767 ( 3.180 -7.655 2.171) 8.569 6.024 ( -0.412 3.594 -1.128) 3.789 6.246 ( -1.663 2.475 -1.741) 3.452 6.296 ( 4.248 -6.414 2.074) 7.968 6.489 ( -2.754 -2.199 -1.949) 4.027 6.579 ( -0.067 -3.735 1.176) 3.916 6.695 ( 5.752 2.349 0.436) 6.229 6.782 ( 1.602 5.264 -1.156) 5.622 6.878 ( -0.382 4.803 1.705) 5.111 6.937 ( 1.784 6.449 1.327) 6.822 7.092 ( -3.292 -3.499 2.978) 5.652 7.138 ( -3.589 8.557 -5.428) 10.750 7.223 ( 3.403 -0.063 3.186) 4.662 7.323 ( -1.395 3.070 1.573) 3.721 7.342 ( -0.343 -1.726 0.736) 1.907 7.536 ( -10.314 2.486 -3.424) 11.148 7.753 ( -0.249 -0.876 2.236) 2.415 7.791 ( -2.983 0.708 0.463) 3.100 7.881 ( 1.080 1.920 -0.254) 2.218 7.975 ( 5.945 -0.684 1.436) 6.154 8.776 ( 0.517 -5.586 -2.906) 6.318 9.068 ( -0.613 -6.369 -0.212) 6.402 9.162 ( 0.112 11.452 -0.737) 11.477 9.242 ( 1.203 7.515 -0.589) 7.634 9.542 ( -0.079 9.938 -0.532) 9.953 9.704 ( -1.117 -2.386 -0.222) 2.644 9.783 ( -6.158 1.530 -8.316) 10.460 9.920 ( 7.017 -3.816 8.226) 11.466 10.185 ( -10.261 -3.935 -10.803) 15.411 10.227 ( -2.116 -3.907 -0.933) 4.540 10.322 ( -5.320 6.216 -6.439) 10.411 10.381 ( -1.200 2.182 -1.243) 2.783 10.497 ( 0.759 2.294 0.083) 2.418 10.635 ( 12.132 -0.351 20.914) 24.180 10.772 ( 1.033 9.578 0.705) 9.659 10.918 ( 2.633 2.637 1.921) 4.192 11.045 ( -6.538 13.037 -3.946) 15.109 11.139 ( -3.882 0.565 -3.983) 5.590 11.391 ( -12.768 10.147 -11.516) 19.965 11.709 ( -7.118 -0.455 -6.331) 9.536 11.809 ( -0.143 -2.309 4.320) 4.900 12.248 ( 11.128 2.939 9.273) 14.780 12.891 ( -1.007 5.648 0.572) 5.765 13.155 ( 0.716 4.245 -2.080) 4.781 13.270 ( -3.256 -5.140 -3.808) 7.178 13.397 ( 1.876 -0.747 0.623) 2.113 13.515 ( -0.209 6.177 -0.766) 6.228 13.599 ( -0.720 6.041 0.098) 6.085 14.596 ( 4.081 -14.850 1.840) 15.510 14.808 ( -11.917 -16.442 -11.608) 23.390 15.110 ( 18.788 -8.616 19.628) 28.504 15.215 ( -2.003 -6.783 -6.735) 9.766 15.814 ( -13.289 14.100 -20.414) 28.145 15.978 ( 13.519 19.883 16.642) 29.241 16.289 ( -3.876 -11.374 0.243) 12.018 16.405 ( 1.100 -32.625 -1.555) 32.680 16.542 ( -7.881 -5.731 -8.568) 12.975 16.664 ( 5.239 -17.645 6.163) 19.411 17.000 ( -0.089 -32.031 -0.495) 32.035 17.290 ( 2.144 -0.865 2.943) 3.742 18.116 ( -13.487 15.507 -14.447) 25.122 18.544 ( 6.946 9.936 4.398) 12.896 18.789 ( -7.318 13.106 -8.960) 17.482 18.913 ( -3.931 15.874 -10.896) 19.651 19.005 ( 1.058 20.315 1.964) 20.437 19.820 ( 12.198 -5.456 2.293) 13.558 20.013 ( 1.416 4.863 0.720) 5.116 20.251 ( 3.327 3.833 -3.143) 5.970 20.563 ( -13.780 -2.790 11.327) 18.055 20.959 ( -2.900 -3.127 -5.620) 7.055 21.358 ( -8.632 -0.118 6.314) 10.696 22.398 ( 21.318 -14.673 14.333) 29.584 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.029 7.817 1.945) 8.055 1.495 ( 0.179 9.686 6.516) 11.676 1.854 ( -5.585 8.512 3.055) 10.629 1.951 ( 1.236 5.767 -4.830) 7.623 2.085 ( 6.987 1.768 -7.863) 10.667 2.133 ( 1.161 5.745 -2.129) 6.236 2.218 ( 6.382 3.823 -3.385) 8.173 2.407 ( -1.912 9.246 0.556) 9.458 2.512 ( 0.706 1.940 -3.576) 4.129 2.585 ( -5.353 7.786 -4.249) 10.360 2.644 ( 3.045 -4.748 0.704) 5.684 2.811 ( 0.024 1.857 2.970) 3.503 2.848 ( -5.268 9.355 -1.459) 10.835 2.922 ( -1.893 4.242 0.476) 4.669 3.125 ( 0.481 3.520 -0.880) 3.661 3.138 ( 2.398 3.565 -0.218) 4.302 3.233 ( 1.545 -11.122 4.574) 12.125 3.319 ( 1.850 3.094 -3.290) 4.881 3.456 ( -0.857 -5.625 -2.046) 6.047 3.508 ( 1.687 -10.591 0.493) 10.735 3.639 ( 10.730 -0.507 3.993) 11.460 3.725 ( -2.277 3.949 0.984) 4.663 3.860 ( -5.255 7.671 -0.388) 9.306 4.029 ( -8.438 -4.391 -7.754) 12.272 4.138 ( -0.143 -0.564 -3.422) 3.471 4.221 ( 4.711 1.821 2.309) 5.554 4.435 ( -1.105 -11.678 0.346) 11.735 4.726 ( -0.018 4.223 1.420) 4.456 4.876 ( 1.753 -4.799 -0.593) 5.143 4.991 ( 1.987 -0.945 3.484) 4.121 5.064 ( 2.708 -1.901 -0.488) 3.344 5.202 ( 3.446 -5.790 4.864) 8.310 5.325 ( 7.182 1.238 -1.130) 7.375 5.430 ( -1.653 1.916 3.428) 4.260 5.509 ( 1.139 -0.606 -1.784) 2.202 5.762 ( 2.942 -1.727 8.922) 9.552 5.863 ( 7.507 -8.873 4.915) 12.619 6.011 ( -0.457 3.335 -2.055) 3.944 6.185 ( -2.988 -2.289 -0.625) 3.816 6.393 ( 2.506 -8.175 2.611) 8.940 6.441 ( -1.184 1.720 -4.116) 4.616 6.592 ( 0.625 -0.642 0.563) 1.059 6.718 ( -2.070 -2.559 -1.834) 3.767 6.850 ( 1.468 6.639 3.068) 7.459 6.873 ( -0.860 2.039 1.326) 2.579 6.988 ( 3.883 2.895 1.422) 5.048 7.032 ( -2.273 -4.181 -3.133) 5.698 7.080 ( -0.421 7.148 4.341) 8.374 7.226 ( -6.920 5.257 -3.254) 9.280 7.271 ( 0.964 3.415 -1.823) 3.990 7.342 ( 0.168 -1.854 3.027) 3.553 7.409 ( -0.282 5.715 1.937) 6.041 7.706 ( -3.186 0.309 -3.241) 4.555 7.782 ( 0.084 -3.128 5.185) 6.056 7.925 ( 3.382 3.808 2.656) 5.744 8.026 ( -1.034 -2.511 -2.345) 3.588 8.787 ( 1.186 -6.031 -4.081) 7.378 9.046 ( -1.679 -3.513 -0.787) 3.972 9.167 ( 0.307 11.581 -0.616) 11.602 9.278 ( 2.236 8.210 -0.119) 8.510 9.530 ( -1.618 9.627 -2.113) 9.989 9.615 ( -5.981 -2.797 -8.996) 11.159 9.708 ( -3.908 1.026 -4.877) 6.333 9.887 ( -8.581 15.556 -7.285) 19.202 10.065 ( 4.565 -6.252 4.710) 9.062 10.189 ( -2.317 -2.076 -2.563) 4.031 10.258 ( -6.296 1.374 -7.305) 9.741 10.363 ( 0.677 1.246 1.452) 2.029 10.512 ( -0.652 6.333 -0.480) 6.385 10.675 ( -9.297 11.221 -10.371) 17.886 10.725 ( -0.180 0.590 1.103) 1.264 10.917 ( -3.586 2.324 -5.575) 7.025 11.028 ( -1.339 4.603 -1.790) 5.117 11.175 ( 17.062 1.607 28.950) 33.642 11.307 ( 1.662 0.853 6.129) 6.407 11.587 ( -4.942 -2.118 -5.725) 7.854 11.841 ( 1.998 -3.371 4.445) 5.926 12.418 ( 7.172 10.309 16.203) 20.500 12.851 ( -2.705 5.604 -3.139) 6.969 13.142 ( -2.989 1.245 -5.095) 6.037 13.200 ( -2.803 -2.576 -4.135) 5.621 13.369 ( -5.562 1.983 -6.793) 9.001 13.509 ( 1.263 0.470 -1.464) 1.990 13.609 ( 0.348 -1.458 -1.071) 1.842 14.526 ( -2.930 -6.813 -9.596) 12.128 14.867 ( 8.751 -17.766 10.143) 22.251 15.024 ( -10.204 -6.126 -1.904) 12.053 15.491 ( -14.597 21.392 -20.871) 33.261 15.583 ( 19.934 -9.838 25.909) 34.139 16.066 ( -4.338 -12.553 -6.295) 14.698 16.312 ( -9.054 -15.617 -13.046) 22.273 16.368 ( 8.240 9.057 13.841) 18.480 16.477 ( 3.757 -21.061 5.212) 22.019 16.726 ( 0.758 -19.531 0.832) 19.564 17.001 ( 0.403 -28.067 0.454) 28.073 17.369 ( 4.285 -2.811 5.813) 7.750 17.830 ( -13.291 16.665 -16.879) 27.189 18.557 ( -7.591 11.902 -12.662) 18.964 18.699 ( 1.968 9.873 5.428) 11.438 18.752 ( -8.971 21.889 -12.303) 26.664 19.032 ( 0.196 20.787 2.514) 20.939 19.884 ( -0.687 -5.337 13.554) 14.583 19.984 ( -2.932 2.687 5.872) 7.092 20.309 ( 2.297 3.952 -1.450) 4.796 20.484 ( -0.105 -2.399 -1.078) 2.632 20.934 ( 1.365 -4.012 -6.499) 7.758 21.368 ( 5.505 1.975 -0.910) 5.919 22.767 ( 14.066 -15.193 12.995) 24.445 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -4.162 12.351 0.780) 13.056 1.578 ( 2.730 6.475 7.323) 10.149 1.797 ( -0.751 11.210 1.304) 11.310 1.895 ( -3.364 -0.246 -4.737) 5.815 2.083 ( -1.805 4.687 -5.122) 7.174 2.263 ( 6.937 14.320 -3.281) 16.247 2.356 ( -1.356 15.478 -6.703) 16.921 2.405 ( 2.860 0.637 0.893) 3.063 2.443 ( -6.658 7.661 -1.033) 10.202 2.549 ( -0.051 2.685 -1.122) 2.911 2.624 ( -7.455 3.023 -2.711) 8.489 2.690 ( 1.044 -2.116 -3.020) 3.832 2.857 ( 1.554 6.937 0.718) 7.145 2.943 ( 3.597 -0.296 6.093) 7.081 3.107 ( 1.444 -3.871 0.746) 4.198 3.164 ( -1.022 0.548 -3.205) 3.408 3.218 ( -3.383 1.536 -3.227) 4.921 3.361 ( -2.419 -2.901 -5.810) 6.930 3.468 ( 3.587 -4.598 9.261) 10.944 3.542 ( 2.819 -16.362 4.185) 17.123 3.696 ( 0.165 1.557 -2.571) 3.011 3.784 ( 0.625 0.998 -0.715) 1.378 3.842 ( -1.335 1.301 -1.860) 2.633 3.948 ( 3.639 -0.823 -0.014) 3.731 4.136 ( 0.082 -0.009 -1.784) 1.786 4.333 ( 3.861 -0.137 2.226) 4.458 4.404 ( 0.455 -8.335 3.945) 9.232 4.701 ( -1.298 5.962 -1.301) 6.239 4.879 ( -2.361 -0.218 -4.768) 5.325 4.986 ( -0.055 -4.985 4.541) 6.743 5.093 ( -0.851 -5.961 -2.485) 6.515 5.309 ( 5.417 -3.059 -0.645) 6.255 5.348 ( -1.226 -5.099 0.968) 5.333 5.455 ( 1.749 5.390 1.493) 5.860 5.632 ( 7.081 3.182 -0.404) 7.774 5.750 ( -1.385 -2.459 9.325) 9.743 6.007 ( 1.749 3.854 1.147) 4.385 6.023 ( 3.941 0.793 4.781) 6.247 6.157 ( 1.620 -11.430 0.468) 11.554 6.373 ( -2.191 -6.313 -3.990) 7.783 6.459 ( 0.953 1.862 -1.178) 2.400 6.488 ( -10.352 -1.106 -3.471) 10.974 6.656 ( -1.974 -4.205 -0.245) 4.651 6.851 ( 0.912 0.058 3.234) 3.361 6.924 ( 2.898 6.068 3.022) 7.372 6.966 ( -2.037 -1.356 -5.140) 5.693 7.061 ( 1.732 0.480 8.226) 8.420 7.129 ( 2.596 3.983 6.635) 8.162 7.161 ( 0.112 11.495 -1.811) 11.638 7.289 ( 1.638 1.411 -5.938) 6.320 7.357 ( 2.334 -1.019 1.986) 3.230 7.433 ( 1.492 2.828 2.448) 4.027 7.646 ( -3.582 -2.849 -2.170) 5.065 7.712 ( -5.830 2.668 -1.162) 6.516 7.992 ( 0.153 -2.153 1.205) 2.472 8.023 ( 3.830 -0.119 -0.102) 3.834 8.823 ( 1.852 -3.379 -0.810) 3.938 9.007 ( -1.498 -0.910 -0.400) 1.797 9.172 ( 0.047 11.756 -0.741) 11.779 9.324 ( 1.952 7.837 -0.453) 8.089 9.436 ( -7.691 6.264 -9.767) 13.920 9.508 ( -4.130 -2.210 -7.491) 8.835 9.601 ( -3.304 22.225 -3.413) 22.727 9.848 ( 1.479 8.796 2.776) 9.342 10.025 ( -8.543 4.145 -12.389) 15.609 10.137 ( -0.263 -4.274 -0.138) 4.284 10.196 ( 0.889 -2.593 1.935) 3.355 10.390 ( 1.602 -0.250 1.740) 2.378 10.457 ( -2.602 4.159 -2.793) 5.645 10.628 ( 1.305 2.015 2.335) 3.349 10.718 ( -0.385 -0.202 -1.576) 1.635 10.832 ( -3.655 5.568 -5.378) 8.560 11.028 ( 0.273 7.494 0.457) 7.513 11.317 ( 1.947 -1.043 6.400) 6.771 11.464 ( 0.139 -4.931 2.567) 5.561 11.619 ( 14.655 -5.592 23.115) 27.935 11.876 ( 1.291 -4.190 2.225) 4.917 12.588 ( 9.108 18.936 17.526) 27.362 12.769 ( -6.093 -3.905 -11.797) 13.840 13.042 ( -5.265 -2.509 -6.044) 8.399 13.127 ( -4.620 -3.097 -6.325) 8.422 13.255 ( -3.321 6.005 -3.258) 7.596 13.525 ( -0.042 -0.296 -0.639) 0.705 13.620 ( 0.389 0.343 -2.060) 2.125 14.519 ( -2.347 -0.666 -2.675) 3.620 14.779 ( -4.415 -0.484 3.469) 5.636 15.120 ( 9.227 -28.165 11.713) 31.869 15.225 ( -8.259 23.577 -12.929) 28.129 15.809 ( -4.453 -1.016 -6.538) 7.976 16.096 ( 8.661 -4.926 10.328) 14.351 16.145 ( -1.066 -31.384 1.988) 31.465 16.460 ( 2.594 -22.671 4.629) 23.283 16.615 ( 5.045 5.675 3.175) 8.231 16.717 ( -1.025 -22.250 -1.957) 22.359 17.003 ( -0.818 -18.795 -0.846) 18.832 17.417 ( -0.634 -11.912 -1.157) 11.985 17.616 ( -5.835 18.845 -7.829) 21.224 18.411 ( -4.945 16.006 -7.543) 18.372 18.549 ( -9.119 23.443 -11.557) 27.682 18.769 ( 2.798 16.854 7.635) 18.713 19.025 ( -0.332 16.649 1.180) 16.694 19.905 ( 3.151 -5.952 10.281) 12.291 19.962 ( 0.133 2.812 0.418) 2.846 20.337 ( 0.225 3.697 0.641) 3.759 20.460 ( -0.933 -1.314 -1.333) 2.092 20.942 ( -1.770 -4.202 3.137) 5.534 21.486 ( 4.646 1.301 -10.458) 11.518 22.980 ( 6.898 -15.454 7.597) 18.551 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.520 13.375 0.948) 13.863 1.657 ( 4.978 13.846 11.066) 18.410 1.720 ( -7.482 14.548 -4.587) 16.990 1.879 ( 1.925 2.012 0.786) 2.894 2.022 ( -3.926 5.762 -3.737) 7.911 2.189 ( -9.868 8.908 2.464) 13.521 2.320 ( -0.654 12.242 -1.503) 12.351 2.414 ( 0.028 6.907 -0.022) 6.907 2.435 ( 2.696 2.413 -0.887) 3.725 2.550 ( -1.582 5.776 1.688) 6.222 2.608 ( 4.650 2.153 -3.530) 6.222 2.695 ( 0.118 -1.972 -3.117) 3.690 2.874 ( 0.491 5.059 -0.141) 5.085 3.008 ( -0.847 -0.829 7.749) 7.839 3.068 ( -4.667 -0.846 -3.103) 5.668 3.137 ( -1.402 -2.709 -1.556) 3.424 3.202 ( 3.282 1.075 -2.654) 4.356 3.292 ( -2.583 -0.634 -0.686) 2.747 3.527 ( 3.123 -4.970 5.017) 7.722 3.620 ( 1.891 -16.625 3.798) 17.158 3.678 ( -2.057 0.627 -5.054) 5.493 3.790 ( -0.189 -1.892 -5.647) 5.959 3.808 ( -0.188 2.714 0.599) 2.786 3.993 ( -0.883 -3.390 -1.237) 3.715 4.153 ( 1.515 2.602 -2.177) 3.716 4.327 ( -0.390 -4.022 0.394) 4.060 4.476 ( 1.298 -8.590 2.665) 9.087 4.681 ( -0.675 6.051 -0.261) 6.094 4.820 ( -2.581 2.659 -1.245) 3.910 4.987 ( 0.214 -4.406 3.715) 5.767 5.066 ( -0.666 -6.141 -1.078) 6.270 5.308 ( -0.918 -4.127 -1.682) 4.550 5.425 ( 3.787 -2.996 -4.095) 6.332 5.466 ( -1.496 6.593 0.552) 6.783 5.591 ( -5.931 1.388 3.649) 7.100 5.833 ( 4.602 -3.425 1.820) 6.018 5.980 ( -2.518 0.996 1.476) 3.084 6.121 ( 4.348 -6.419 1.489) 7.895 6.202 ( -3.926 1.178 -5.091) 6.537 6.316 ( 0.944 -12.722 -0.215) 12.759 6.369 ( 1.900 2.832 3.018) 4.554 6.486 ( 1.664 1.284 -0.552) 2.173 6.646 ( 0.899 -5.151 1.862) 5.550 6.858 ( 0.226 -1.951 3.065) 3.640 6.922 ( -0.454 4.846 -2.977) 5.706 6.973 ( -0.443 3.688 -1.155) 3.890 7.067 ( -2.338 2.522 7.787) 8.513 7.116 ( -1.382 5.244 2.814) 6.110 7.183 ( 1.126 8.601 1.043) 8.737 7.316 ( -0.633 -1.617 -7.586) 7.782 7.412 ( -0.779 0.853 -3.404) 3.595 7.455 ( 0.784 1.812 0.706) 2.097 7.583 ( 1.550 -0.955 3.036) 3.540 7.699 ( 5.775 1.156 0.324) 5.899 7.989 ( -0.709 -3.534 0.376) 3.625 8.055 ( -1.560 0.147 -1.946) 2.499 8.834 ( -1.675 -0.356 -0.208) 1.725 9.009 ( 1.500 -0.019 0.619) 1.622 9.170 ( 0.010 11.641 -0.919) 11.678 9.300 ( -2.838 15.158 -4.082) 15.952 9.357 ( 0.893 1.071 -0.468) 1.471 9.448 ( -1.606 -1.590 -2.468) 3.347 9.583 ( 1.547 27.436 -0.981) 27.497 9.874 ( -0.042 7.416 0.731) 7.452 9.910 ( -1.812 3.064 -1.988) 4.077 10.126 ( -0.091 -3.350 -0.293) 3.364 10.218 ( 0.487 -4.401 0.700) 4.483 10.415 ( -1.050 0.991 -1.109) 1.820 10.425 ( 1.068 0.292 1.184) 1.621 10.658 ( 1.066 0.724 2.938) 3.208 10.707 ( -0.638 -1.437 -2.619) 3.055 10.787 ( -0.360 8.855 -2.100) 9.108 11.023 ( -0.818 7.576 0.971) 7.682 11.371 ( 3.584 -1.252 5.628) 6.789 11.438 ( -1.214 -2.567 -5.330) 6.040 11.893 ( 0.325 -4.577 0.258) 4.596 11.901 ( 8.021 -8.458 14.484) 18.592 12.597 ( -5.573 -19.398 -9.048) 22.118 12.749 ( 3.036 20.859 4.800) 21.618 13.007 ( 2.641 -0.292 -2.643) 3.747 13.059 ( -1.560 2.716 -0.944) 3.271 13.215 ( -1.182 7.136 1.745) 7.441 13.505 ( -2.088 0.026 1.164) 2.390 13.617 ( -0.026 3.413 -2.307) 4.120 14.384 ( -6.637 2.091 6.621) 9.605 14.834 ( 5.598 -0.413 1.332) 5.769 15.155 ( -0.103 21.573 -2.406) 21.707 15.237 ( 1.274 -30.903 0.821) 30.940 15.692 ( -2.710 5.658 -3.163) 7.026 16.040 ( -1.353 -31.642 -1.415) 31.702 16.417 ( 11.578 -5.208 19.373) 23.162 16.514 ( 2.177 -28.263 0.579) 28.353 16.584 ( -8.137 4.442 -13.694) 16.537 16.697 ( -0.699 -23.090 -1.515) 23.150 16.968 ( -1.265 -13.125 -1.148) 13.236 17.382 ( -0.893 -16.902 -1.204) 16.968 17.581 ( 0.359 17.490 0.112) 17.494 18.375 ( 0.447 20.520 0.550) 20.533 18.405 ( -3.029 25.221 -3.239) 25.608 18.806 ( 0.545 19.414 4.511) 19.939 19.031 ( 0.895 13.491 -0.033) 13.521 19.973 ( 1.196 0.744 -1.037) 1.749 20.006 ( 5.575 -4.466 1.666) 7.335 20.317 ( -1.948 3.231 2.131) 4.333 20.469 ( 1.723 -0.556 -1.923) 2.641 20.861 ( -5.439 -2.906 7.880) 10.006 21.534 ( 0.068 0.697 -12.123) 12.144 23.056 ( 0.423 -16.892 0.740) 16.914 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -2.699 16.488 3.390) 17.048 1.568 ( -1.852 15.725 4.878) 16.568 1.764 ( 1.234 14.076 11.510) 18.225 1.922 ( -2.726 3.583 -0.735) 4.561 1.978 ( 0.751 4.711 2.813) 5.539 2.009 ( -3.571 4.118 0.417) 5.467 2.232 ( -7.972 3.847 1.726) 9.019 2.416 ( 4.262 11.955 -1.246) 12.753 2.478 ( -0.918 4.851 -0.362) 4.951 2.538 ( 0.638 11.695 -0.894) 11.747 2.656 ( 2.024 -2.210 -0.425) 3.027 2.808 ( 5.776 1.912 1.677) 6.311 2.888 ( 2.569 1.055 -0.406) 2.807 2.914 ( -3.091 4.373 0.157) 5.357 3.044 ( 0.990 -2.538 0.056) 2.725 3.141 ( 0.942 1.605 1.532) 2.411 3.218 ( -2.354 2.305 2.235) 3.981 3.287 ( 1.659 -0.968 0.571) 2.004 3.514 ( -7.241 -13.338 -6.963) 16.698 3.605 ( 0.050 -7.176 -6.039) 9.379 3.648 ( -1.879 -3.315 1.311) 4.030 3.750 ( -2.650 1.354 -0.688) 3.054 3.868 ( 5.442 -1.637 2.196) 6.093 3.960 ( -0.544 -0.466 -4.230) 4.290 4.175 ( 0.409 5.155 -3.017) 5.987 4.358 ( 1.075 -5.772 -1.419) 6.040 4.389 ( -6.357 -12.130 -3.936) 14.250 4.704 ( 3.402 5.947 2.167) 7.186 4.790 ( -0.391 -1.374 5.509) 5.691 4.980 ( -1.782 -0.067 5.233) 5.528 5.077 ( 0.972 -5.049 -0.748) 5.195 5.301 ( -0.838 -4.410 -5.000) 6.719 5.346 ( -9.153 3.759 -1.327) 9.983 5.454 ( 0.127 -3.076 -1.070) 3.259 5.536 ( 0.230 1.608 -2.457) 2.945 5.883 ( -0.706 -3.712 1.595) 4.101 5.915 ( -3.274 -7.255 -1.474) 8.095 6.059 ( -6.761 -5.750 -6.631) 11.079 6.174 ( 1.094 -1.603 -0.879) 2.131 6.366 ( 3.158 -6.033 2.490) 7.251 6.420 ( -0.964 5.315 0.824) 5.464 6.563 ( 3.702 -0.787 2.441) 4.504 6.686 ( 2.481 -6.912 2.343) 7.709 6.869 ( -0.362 3.215 3.868) 5.042 6.900 ( -0.899 0.725 -0.791) 1.400 6.938 ( -1.332 6.582 -2.243) 7.080 7.008 ( -2.951 3.370 1.611) 4.761 7.135 ( 4.516 6.238 3.713) 8.550 7.204 ( 0.928 7.949 -1.117) 8.081 7.277 ( -0.822 -2.890 -5.608) 6.362 7.411 ( -0.132 1.532 -1.683) 2.280 7.448 ( -1.076 2.940 -2.422) 3.958 7.623 ( 2.421 0.050 4.169) 4.821 7.881 ( 6.685 -2.527 -1.879) 7.390 7.949 ( -2.329 -1.219 0.404) 2.659 8.007 ( -1.157 -0.318 -1.508) 1.928 8.750 ( -5.027 -1.899 -0.696) 5.418 9.047 ( 1.812 -0.821 -1.053) 2.251 9.170 ( -0.272 11.202 -0.721) 11.229 9.283 ( -1.033 11.155 -0.447) 11.212 9.423 ( 5.858 4.236 5.495) 9.080 9.460 ( 3.665 -0.115 4.867) 6.093 9.641 ( 2.587 23.116 -2.057) 23.351 9.872 ( 0.596 9.295 -0.581) 9.332 9.953 ( 7.192 2.913 10.197) 12.814 10.140 ( 1.289 -3.928 1.072) 4.271 10.214 ( -0.558 -1.290 -0.852) 1.644 10.393 ( -0.758 1.084 -1.103) 1.723 10.460 ( 2.884 5.311 2.013) 6.370 10.637 ( -2.239 2.228 -2.133) 3.811 10.725 ( 1.973 -1.292 0.583) 2.429 10.817 ( 2.983 7.013 2.406) 7.991 10.997 ( -1.435 6.243 1.513) 6.582 11.406 ( -1.383 -2.766 -4.499) 5.460 11.472 ( 5.368 -0.447 4.358) 6.929 11.797 ( -15.588 -7.405 -21.654) 27.690 11.898 ( -0.605 -4.629 -1.702) 4.969 12.658 ( 6.753 -10.692 11.032) 16.782 12.721 ( -2.814 14.899 -7.191) 16.782 13.056 ( 1.341 -2.517 6.282) 6.899 13.112 ( 5.595 2.238 -1.236) 6.152 13.212 ( 1.984 6.861 5.110) 8.782 13.456 ( -1.757 0.876 2.621) 3.275 13.615 ( -0.858 -0.987 -2.904) 3.185 14.333 ( 1.198 5.750 13.838) 15.033 14.900 ( 0.073 0.265 -1.680) 1.703 15.156 ( -0.901 0.405 -0.351) 1.049 15.211 ( -0.881 -6.961 -1.407) 7.156 15.746 ( 6.452 4.110 10.134) 12.697 16.073 ( 3.260 -25.614 4.789) 26.261 16.257 ( -17.300 -15.067 -22.421) 32.077 16.546 ( -0.600 -28.085 -3.279) 28.282 16.575 ( 1.287 9.609 0.114) 9.696 16.701 ( 1.122 -23.147 1.671) 23.234 16.986 ( 2.041 -16.415 3.535) 16.915 17.398 ( 2.074 -15.370 3.063) 15.808 17.604 ( 3.105 20.354 2.019) 20.688 18.367 ( 1.995 18.034 3.572) 18.492 18.489 ( 7.334 25.362 10.554) 28.432 18.788 ( -2.249 17.430 0.156) 17.576 19.054 ( 1.049 15.778 -0.630) 15.825 19.997 ( 0.715 0.194 -2.627) 2.729 20.073 ( -1.703 -4.283 2.115) 5.071 20.266 ( -3.126 3.903 2.161) 5.448 20.549 ( 7.652 -1.744 -6.212) 10.009 20.782 ( -0.162 -1.578 5.596) 5.816 21.497 ( -3.179 0.243 -9.859) 10.362 22.982 ( -8.342 -20.055 -6.714) 22.735 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.552 13.599 15.309) 20.484 1.481 ( -16.299 5.001 17.415) 24.371 1.613 ( -1.035 11.691 -3.401) 12.220 1.879 ( -1.634 10.891 -1.411) 11.103 2.031 ( 1.188 10.222 2.330) 10.551 2.107 ( 10.659 12.917 2.201) 16.891 2.137 ( -0.289 1.414 3.022) 3.349 2.469 ( -1.232 15.510 5.701) 16.571 2.510 ( -0.922 2.094 -2.649) 3.500 2.530 ( 3.656 4.940 -1.175) 6.257 2.681 ( -1.606 -1.717 -2.720) 3.595 2.841 ( 1.105 3.419 1.880) 4.055 2.858 ( -1.072 -1.236 -2.438) 2.936 3.012 ( 4.482 4.206 -0.962) 6.221 3.106 ( 1.509 -1.558 3.956) 4.512 3.132 ( -1.777 2.562 -4.974) 5.870 3.167 ( 0.411 -0.730 0.274) 0.882 3.293 ( -1.746 1.550 3.588) 4.281 3.386 ( -3.851 -8.869 -3.944) 10.442 3.552 ( -3.998 -7.545 -6.840) 10.940 3.566 ( -4.672 -3.619 -6.263) 8.611 3.772 ( 3.696 1.983 3.703) 5.595 3.951 ( 2.928 1.426 -0.757) 3.343 4.045 ( 7.694 -4.146 6.605) 10.955 4.180 ( 0.565 3.843 -1.834) 4.295 4.256 ( -1.366 -0.566 -9.079) 9.199 4.410 ( 0.475 -14.923 3.648) 15.369 4.749 ( -1.465 1.067 0.900) 2.023 4.835 ( 3.804 0.392 2.887) 4.791 4.905 ( -3.554 0.786 1.134) 3.812 5.069 ( -2.113 0.171 -2.485) 3.266 5.106 ( -10.784 0.719 -1.289) 10.884 5.311 ( 1.017 -9.280 -2.761) 9.735 5.462 ( -1.103 -2.274 0.071) 2.529 5.538 ( -0.549 4.229 -0.866) 4.351 5.772 ( -5.890 -11.487 -6.312) 14.370 5.838 ( -7.575 -6.119 -6.346) 11.623 5.985 ( 0.595 -2.073 1.599) 2.685 6.204 ( 1.674 2.977 2.751) 4.386 6.343 ( -4.543 -1.365 -2.125) 5.197 6.450 ( 4.363 0.338 2.006) 4.814 6.586 ( -0.222 -3.253 0.364) 3.281 6.676 ( -3.809 -3.231 1.325) 5.168 6.815 ( -3.173 4.772 -2.432) 6.225 6.911 ( -0.027 6.504 1.778) 6.743 6.916 ( -1.040 5.347 -0.421) 5.464 7.006 ( 3.772 1.516 3.711) 5.504 7.197 ( -1.161 1.100 -4.228) 4.520 7.236 ( 1.983 5.825 1.875) 6.432 7.332 ( 3.011 -0.554 0.568) 3.114 7.387 ( -1.971 -1.575 -2.973) 3.900 7.463 ( 6.145 6.333 2.699) 9.227 7.691 ( 3.854 -1.093 4.022) 5.677 7.873 ( -2.297 -2.080 -3.532) 4.699 7.919 ( -2.607 1.760 -2.932) 4.300 8.021 ( -1.450 -0.901 -1.992) 2.624 8.697 ( 0.619 -5.756 3.613) 6.824 9.072 ( 0.587 -3.287 -1.029) 3.494 9.163 ( -0.195 10.844 -0.599) 10.862 9.252 ( -1.511 8.874 -1.799) 9.180 9.538 ( 3.111 5.177 2.317) 6.469 9.566 ( 6.403 -0.905 8.240) 10.474 9.689 ( 2.835 6.471 3.370) 7.828 9.913 ( 5.290 17.508 5.083) 18.983 10.065 ( -1.810 -6.780 -1.876) 7.264 10.189 ( 2.669 -3.034 2.639) 4.826 10.240 ( 2.930 -1.955 3.653) 5.075 10.392 ( 0.591 3.491 -1.591) 3.882 10.534 ( -0.894 5.207 -2.944) 6.048 10.717 ( 10.765 12.918 4.239) 17.341 10.791 ( 9.605 4.090 3.773) 11.100 10.880 ( 4.298 6.200 4.767) 8.924 11.000 ( 3.106 4.031 4.884) 7.053 11.359 ( -21.401 -3.985 -26.548) 34.332 11.373 ( -2.695 -1.159 -4.691) 5.533 11.612 ( 6.298 -0.459 2.618) 6.835 11.884 ( -0.760 -4.168 -2.484) 4.911 12.503 ( -14.168 12.111 -15.147) 24.018 12.840 ( 4.760 1.827 6.531) 8.285 13.088 ( 1.851 1.913 6.032) 6.594 13.196 ( 3.563 3.755 1.317) 5.341 13.332 ( 6.439 -3.100 7.893) 10.647 13.448 ( 0.565 1.737 2.807) 3.349 13.610 ( 1.642 -4.923 -0.444) 5.208 14.364 ( 1.511 0.183 9.813) 9.930 14.874 ( -1.709 -3.197 1.159) 3.806 15.103 ( -3.633 -14.182 -6.920) 16.193 15.291 ( 8.849 21.869 18.748) 30.134 15.711 ( -15.657 -6.719 -20.636) 26.761 16.012 ( 2.730 -9.540 4.607) 10.940 16.227 ( 7.651 -22.725 12.060) 26.840 16.488 ( -4.890 -10.784 -6.470) 13.494 16.540 ( -3.011 -4.429 -10.793) 12.048 16.722 ( 0.192 -21.033 0.273) 21.035 17.001 ( -0.424 -25.915 -0.491) 25.923 17.394 ( -3.159 -5.828 -4.100) 7.794 17.817 ( 17.929 19.540 12.727) 29.415 18.462 ( 6.019 13.192 9.567) 17.372 18.657 ( 8.204 20.296 12.084) 25.005 18.721 ( -3.058 17.803 -1.001) 18.091 19.060 ( -0.664 19.856 -2.466) 20.020 19.852 ( -14.151 -5.655 -0.939) 15.268 20.049 ( 0.639 4.698 -0.575) 4.776 20.193 ( -2.860 3.420 0.922) 4.553 20.742 ( 7.285 -2.304 -4.232) 8.734 20.915 ( 11.442 -4.458 -1.900) 12.426 21.454 ( 2.217 -0.545 -3.548) 4.219 22.667 ( -23.512 -22.779 -10.821) 34.479 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -2.031 12.699 12.014) 17.599 1.656 ( 4.756 10.692 2.402) 11.946 1.817 ( 2.300 4.998 3.120) 6.325 2.060 ( -2.510 10.106 0.743) 10.440 2.215 ( -0.295 3.101 -2.570) 4.038 2.277 ( -0.914 2.791 -6.755) 7.366 2.332 ( -4.780 -4.929 -6.807) 9.669 2.413 ( -6.944 -2.882 -3.585) 8.330 2.471 ( 4.851 6.134 0.268) 7.825 2.587 ( 2.788 -2.202 -1.367) 3.807 2.734 ( 0.836 -6.344 -1.515) 6.576 2.775 ( -2.331 -0.857 -1.319) 2.812 2.959 ( -0.112 3.382 1.583) 3.736 3.045 ( -1.116 -3.926 3.777) 5.561 3.121 ( 1.172 4.379 2.914) 5.389 3.145 ( 0.084 3.520 4.526) 5.734 3.213 ( 5.814 -4.861 3.480) 8.339 3.241 ( -0.826 0.616 -1.542) 1.855 3.306 ( -4.032 -3.477 -4.514) 6.980 3.555 ( 0.861 11.509 -3.015) 11.929 3.712 ( 1.349 21.796 5.000) 22.403 3.806 ( -1.584 -5.452 5.390) 7.829 3.971 ( 3.611 -1.252 1.890) 4.263 4.090 ( 1.817 -2.257 -0.386) 2.923 4.140 ( 3.138 2.474 -0.079) 3.997 4.264 ( -2.231 1.088 -5.992) 6.486 4.502 ( 10.407 5.427 6.660) 13.495 4.702 ( -5.465 -9.762 -2.528) 11.469 4.732 ( -4.954 5.027 -6.397) 9.526 4.810 ( -1.503 -2.547 -1.905) 3.518 4.962 ( -0.987 -9.323 0.003) 9.375 5.060 ( 1.549 0.356 0.603) 1.699 5.199 ( 5.219 -2.938 0.470) 6.008 5.250 ( -6.834 -5.255 -3.054) 9.145 5.543 ( -0.878 -5.656 3.588) 6.755 5.626 ( -3.653 -4.595 -2.926) 6.559 5.636 ( 0.582 5.334 -0.413) 5.382 6.039 ( -0.482 0.782 2.383) 2.554 6.178 ( 2.921 -1.690 2.735) 4.344 6.336 ( -1.577 2.523 -3.858) 4.872 6.511 ( 0.266 1.397 -0.432) 1.486 6.604 ( -0.769 2.853 2.053) 3.598 6.694 ( 1.132 8.039 -0.292) 8.123 6.831 ( 0.554 0.626 -1.772) 1.960 6.921 ( -0.682 -4.423 0.033) 4.475 6.993 ( -2.453 1.427 -0.447) 2.873 7.077 ( 5.075 2.280 3.781) 6.727 7.172 ( -3.189 -1.057 -1.234) 3.579 7.316 ( -0.554 2.087 0.564) 2.232 7.370 ( -1.731 4.131 -1.602) 4.757 7.487 ( 1.185 5.667 1.088) 5.891 7.572 ( 0.750 -4.457 1.265) 4.693 7.766 ( 1.155 2.572 -0.027) 2.820 7.855 ( 4.249 3.020 3.094) 6.062 7.886 ( -4.880 1.835 -1.401) 5.398 8.020 ( -1.232 3.715 -2.980) 4.920 8.656 ( 2.663 -0.654 2.482) 3.699 8.959 ( -3.206 -4.462 -4.367) 7.018 9.229 ( 1.591 -3.329 1.858) 4.132 9.275 ( -1.284 -2.902 -1.977) 3.739 9.617 ( -0.288 -0.534 1.185) 1.332 9.636 ( 4.582 -3.502 3.720) 6.863 9.772 ( -0.973 1.081 -0.943) 1.733 9.843 ( -4.264 -7.584 -4.785) 9.929 10.090 ( 0.130 -3.867 0.514) 3.903 10.126 ( -0.179 -5.543 0.126) 5.548 10.408 ( 3.872 4.406 5.004) 7.710 10.545 ( -4.620 2.690 -6.182) 8.173 10.721 ( 4.014 17.280 6.732) 18.975 10.820 ( 2.188 2.888 0.824) 3.716 10.878 ( -4.450 0.451 -5.617) 7.180 10.958 ( -2.591 4.823 -1.413) 5.655 11.236 ( -0.250 14.713 -2.326) 14.898 11.511 ( -0.780 26.938 2.891) 27.104 11.598 ( 4.799 8.066 4.707) 10.500 11.686 ( -0.599 -2.303 -0.378) 2.409 12.008 ( 17.449 7.640 8.901) 21.025 12.388 ( -21.654 13.698 -24.250) 35.278 12.967 ( 2.506 3.606 4.264) 6.121 13.180 ( 0.370 -6.067 -1.136) 6.184 13.235 ( 6.062 1.108 9.154) 11.035 13.354 ( -1.369 3.574 -1.770) 4.217 13.634 ( 6.756 -1.440 6.997) 9.832 13.699 ( 1.604 8.981 3.082) 9.630 14.339 ( -3.303 -0.822 4.235) 5.433 14.788 ( -2.743 -4.527 -13.418) 14.424 14.852 ( -4.409 -7.041 -3.011) 8.836 15.059 ( -5.794 -9.100 -15.496) 18.881 15.321 ( 0.961 -38.189 5.832) 38.644 15.547 ( -1.887 -39.213 -5.620) 39.658 16.072 ( 5.763 -21.292 8.459) 23.625 16.233 ( 6.482 4.780 11.265) 13.848 16.381 ( -1.423 -19.604 -1.039) 19.683 16.644 ( -2.561 9.967 -7.863) 12.951 16.734 ( 4.783 13.177 5.428) 15.032 17.277 ( -0.245 -2.732 -0.686) 2.827 18.465 ( 7.528 11.377 -0.913) 13.672 18.699 ( -5.197 8.858 -4.727) 11.306 18.874 ( 4.631 3.986 4.580) 7.636 19.181 ( -3.526 1.795 -4.110) 5.705 19.470 ( 2.477 19.514 -0.466) 19.676 19.652 ( 1.600 8.290 -1.035) 8.507 20.178 ( -3.247 9.015 4.338) 10.518 20.290 ( 3.432 6.840 -4.594) 8.926 20.699 ( -4.845 -6.942 3.229) 9.060 20.900 ( 0.693 -6.628 -3.011) 7.313 21.539 ( -0.633 -4.911 2.338) 5.476 21.750 ( -4.948 -15.706 5.180) 17.262 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.657 12.950 12.226) 19.013 1.802 ( 8.610 2.699 -5.542) 10.589 1.868 ( -1.604 8.059 -2.547) 8.603 2.020 ( 0.556 2.131 14.019) 14.191 2.137 ( -5.275 1.352 -5.333) 7.622 2.217 ( -4.172 2.440 -0.089) 4.834 2.294 ( -1.200 -0.282 -1.694) 2.095 2.332 ( 2.944 -1.516 -0.202) 3.318 2.527 ( -0.028 -0.581 -1.333) 1.454 2.587 ( -2.639 -1.775 -5.043) 5.963 2.694 ( -0.230 1.575 0.352) 1.630 2.852 ( 3.672 -6.255 -0.423) 7.266 2.906 ( -1.775 1.751 -0.052) 2.494 3.043 ( -1.094 -1.226 1.618) 2.306 3.101 ( -2.594 5.733 5.310) 8.234 3.152 ( -0.241 0.073 2.900) 2.911 3.257 ( 4.637 -2.458 -5.385) 7.519 3.267 ( 0.964 -2.888 -1.102) 3.238 3.389 ( 8.907 -1.068 1.985) 9.188 3.567 ( 0.078 14.102 -3.792) 14.603 3.709 ( -1.285 14.938 1.125) 15.035 3.808 ( 0.843 7.488 7.737) 10.800 4.008 ( 0.181 2.057 -2.773) 3.457 4.077 ( -0.959 -6.770 -3.474) 7.670 4.178 ( -6.660 0.854 -10.155) 12.175 4.229 ( 3.195 1.676 2.296) 4.277 4.441 ( -13.139 10.150 -13.867) 21.632 4.646 ( -1.433 -8.360 1.473) 8.609 4.736 ( 10.073 1.712 9.751) 14.123 4.889 ( 3.996 -0.631 0.759) 4.116 4.959 ( 0.598 -11.382 -0.305) 11.402 5.130 ( 6.248 -1.867 -0.262) 6.526 5.154 ( -2.296 -0.706 -1.174) 2.674 5.368 ( 8.020 -6.429 0.732) 10.305 5.473 ( -3.496 -2.850 4.075) 6.079 5.574 ( -0.509 -2.884 2.317) 3.734 5.696 ( 3.978 1.779 1.966) 4.781 6.040 ( 0.762 -2.533 3.971) 4.772 6.225 ( -1.228 -0.869 -5.735) 5.929 6.269 ( -2.076 2.158 0.920) 3.133 6.509 ( 0.638 1.622 0.570) 1.834 6.623 ( 0.490 5.240 1.497) 5.472 6.717 ( 0.247 1.172 -1.742) 2.114 6.846 ( 1.603 0.444 -0.739) 1.820 6.893 ( -2.930 -4.429 2.684) 5.950 6.968 ( 0.676 2.952 0.728) 3.114 7.102 ( -0.223 1.230 -1.801) 2.192 7.187 ( 0.883 -1.601 0.545) 1.908 7.310 ( 0.579 4.597 1.344) 4.825 7.338 ( -0.921 4.182 2.352) 4.885 7.463 ( -3.122 6.097 -1.341) 6.980 7.552 ( -2.010 -1.583 0.059) 2.559 7.740 ( -4.303 -0.744 -1.324) 4.563 7.799 ( -0.621 5.908 1.233) 6.067 7.974 ( 4.063 0.590 1.444) 4.352 7.995 ( -0.495 3.957 -1.468) 4.249 8.690 ( 0.038 -0.967 -3.251) 3.392 8.938 ( 1.782 -5.303 2.730) 6.224 9.247 ( -0.777 -2.381 -2.147) 3.298 9.274 ( 1.905 -3.729 1.207) 4.358 9.598 ( -2.512 -3.545 -0.354) 4.360 9.646 ( -1.994 -1.602 -2.917) 3.879 9.782 ( -0.493 -0.700 -1.193) 1.468 9.833 ( 4.982 -6.302 5.378) 9.667 10.098 ( 0.421 -4.143 0.112) 4.166 10.119 ( -0.395 -5.192 0.661) 5.248 10.430 ( -3.549 3.742 -4.280) 6.702 10.516 ( 3.805 1.575 4.942) 6.433 10.744 ( -4.311 22.593 -3.375) 23.247 10.768 ( -1.910 6.586 0.587) 6.882 10.854 ( 0.513 -1.263 1.671) 2.157 10.963 ( 2.712 0.794 3.298) 4.344 11.236 ( -0.586 14.745 -2.897) 15.039 11.502 ( -0.369 27.642 3.537) 27.870 11.610 ( -2.935 11.143 -2.942) 11.892 11.692 ( 0.753 -0.973 0.302) 1.267 11.876 ( -24.265 13.774 -21.713) 35.355 12.353 ( 14.729 6.645 16.959) 23.424 13.009 ( 1.182 4.951 -0.579) 5.123 13.142 ( -2.987 -5.507 -2.250) 6.656 13.276 ( -4.405 5.172 -4.400) 8.094 13.369 ( 4.579 -1.064 2.689) 5.416 13.658 ( -4.295 2.193 -6.004) 7.701 13.715 ( -1.237 6.192 -1.018) 6.396 14.334 ( 2.815 -9.638 10.017) 14.183 14.571 ( -9.391 -6.943 -7.820) 14.055 14.947 ( 14.181 -5.862 14.874) 21.370 15.059 ( -3.254 -10.253 -8.297) 13.585 15.358 ( 1.335 -33.993 2.866) 34.140 15.523 ( 0.714 -40.794 -1.718) 40.836 16.098 ( -2.679 -26.278 -2.854) 26.568 16.308 ( 1.520 -27.108 0.915) 27.166 16.447 ( -1.663 17.562 -7.097) 19.015 16.536 ( 1.914 12.350 5.606) 13.697 16.772 ( -3.607 12.632 -5.751) 14.341 17.278 ( 0.945 -1.308 0.552) 1.705 18.393 ( -10.245 11.912 -10.998) 19.179 18.726 ( 5.454 6.416 4.619) 9.604 18.893 ( -4.398 3.523 -6.773) 8.811 19.178 ( 4.393 0.578 4.781) 6.518 19.440 ( -4.480 21.158 -3.777) 21.955 19.783 ( 5.442 2.938 -0.455) 6.201 20.139 ( -1.033 7.040 0.503) 7.133 20.361 ( 3.158 6.550 -2.254) 7.613 20.491 ( -10.321 -3.741 8.534) 13.905 20.871 ( -2.727 -5.452 -4.600) 7.637 21.380 ( -2.131 2.611 4.779) 5.848 22.040 ( 18.562 -18.576 8.662) 27.652 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.223 8.327 10.903) 14.093 1.752 ( -6.630 10.924 -0.080) 12.779 1.937 ( -3.042 0.250 4.557) 5.484 1.975 ( 1.003 0.108 -2.850) 3.023 2.092 ( 2.985 0.245 0.928) 3.136 2.233 ( -0.330 -0.084 1.909) 1.939 2.312 ( 7.958 3.515 1.910) 8.907 2.452 ( 4.503 -3.600 2.592) 6.321 2.520 ( 0.322 -0.370 -1.863) 1.927 2.561 ( 2.504 -3.094 -1.862) 4.395 2.668 ( -1.747 3.147 -0.378) 3.620 2.858 ( -3.558 0.622 0.105) 3.613 2.918 ( 1.801 -4.359 0.857) 4.794 3.007 ( -1.741 4.780 2.395) 5.623 3.056 ( 0.075 -5.473 -3.145) 6.312 3.197 ( 1.816 2.080 1.433) 3.111 3.267 ( 0.056 -1.465 -4.152) 4.404 3.352 ( 1.862 -2.323 -2.692) 4.014 3.517 ( -0.392 12.504 -5.339) 13.602 3.608 ( 6.920 -0.057 3.024) 7.552 3.652 ( -6.706 18.903 -6.922) 21.218 3.781 ( -1.341 4.746 3.731) 6.184 3.952 ( -4.677 3.195 -5.072) 7.604 4.029 ( -5.199 7.778 -8.240) 12.468 4.093 ( 2.264 -6.642 2.274) 7.377 4.237 ( -1.414 4.033 0.049) 4.274 4.306 ( 0.050 3.479 -5.216) 6.270 4.685 ( 3.894 -8.854 2.364) 9.957 4.851 ( 0.150 0.321 -1.257) 1.306 4.948 ( 0.354 -6.728 -1.596) 6.924 4.990 ( 3.805 -1.581 2.030) 4.594 5.153 ( 1.949 0.495 5.223) 5.596 5.260 ( 2.536 -3.826 0.763) 4.653 5.424 ( 2.617 -2.823 2.447) 4.562 5.479 ( 4.845 -2.728 0.716) 5.606 5.689 ( 7.777 -6.361 7.868) 12.761 5.778 ( 4.681 1.137 3.030) 5.691 6.026 ( -2.443 -1.539 1.195) 3.125 6.153 ( -3.489 -2.472 -6.392) 7.691 6.264 ( -0.284 -0.982 0.690) 1.233 6.538 ( 0.672 -1.271 -0.084) 1.440 6.602 ( -2.393 5.161 1.236) 5.822 6.676 ( -2.588 1.674 -2.611) 4.039 6.802 ( -3.096 -5.288 5.431) 8.188 6.939 ( 4.058 -0.317 2.634) 4.848 7.001 ( 1.972 2.593 0.867) 3.371 7.100 ( -3.228 4.760 -2.885) 6.434 7.148 ( 0.524 -1.913 0.269) 2.002 7.280 ( -1.948 4.107 1.301) 4.728 7.381 ( 0.271 4.451 2.886) 5.312 7.399 ( -0.586 5.802 -3.634) 6.871 7.515 ( -1.482 2.137 0.857) 2.738 7.666 ( -3.300 -2.592 1.698) 4.526 7.793 ( 0.508 4.269 -1.384) 4.516 7.971 ( -1.940 -0.799 -0.827) 2.255 8.029 ( 1.341 3.462 -1.141) 3.884 8.703 ( 2.385 -0.664 -1.427) 2.858 9.002 ( 3.267 -0.536 4.523) 5.605 9.234 ( -0.416 -3.980 -2.134) 4.535 9.302 ( 0.582 -4.408 0.075) 4.447 9.527 ( -3.410 -3.015 -3.672) 5.848 9.636 ( 0.983 4.189 1.413) 4.529 9.799 ( 1.871 0.136 2.467) 3.099 9.907 ( 1.454 -6.630 1.658) 6.988 10.099 ( -0.195 -1.187 -0.272) 1.234 10.123 ( 0.863 -5.145 2.105) 5.626 10.341 ( -4.994 4.037 -6.016) 8.799 10.610 ( 4.369 3.819 6.030) 8.368 10.641 ( -5.026 23.638 -5.437) 24.770 10.732 ( -1.904 2.607 -1.262) 3.466 10.876 ( 1.956 -0.867 4.934) 5.378 11.022 ( 0.215 4.177 1.522) 4.451 11.105 ( -11.934 14.798 -14.040) 23.633 11.431 ( -7.248 11.704 -10.078) 17.061 11.497 ( -0.666 18.704 5.359) 19.468 11.618 ( -0.415 16.860 1.951) 16.978 11.733 ( 0.706 -6.602 2.321) 7.034 12.641 ( 13.093 9.077 17.576) 23.722 12.880 ( -15.007 -6.078 -17.343) 23.726 13.094 ( 0.439 1.133 0.668) 1.387 13.226 ( -0.538 6.025 -1.226) 6.172 13.452 ( 2.888 1.043 -1.040) 3.242 13.563 ( -2.466 -0.797 -8.480) 8.867 13.647 ( -4.443 11.310 -2.370) 12.380 14.432 ( 5.784 -14.340 9.665) 18.235 14.505 ( 1.858 -6.139 4.247) 7.693 14.891 ( -11.267 -10.081 -3.727) 15.571 15.275 ( 7.960 -26.130 8.321) 28.555 15.407 ( 11.452 -18.969 16.568) 27.667 15.569 ( 2.882 -30.878 3.253) 31.182 16.001 ( -6.455 -14.761 -7.987) 17.982 16.211 ( -9.115 7.141 -13.368) 17.685 16.402 ( 0.576 -24.289 0.896) 24.313 16.605 ( -6.416 6.075 -10.536) 13.750 16.705 ( 4.854 9.256 5.041) 11.604 17.274 ( -2.735 -6.753 -4.766) 8.706 18.201 ( -7.067 19.183 -7.997) 21.952 18.768 ( -2.575 10.056 -5.092) 11.562 18.871 ( 5.095 5.640 7.814) 10.901 19.236 ( -2.430 15.757 -3.892) 16.411 19.339 ( -2.471 10.774 -0.204) 11.056 19.784 ( -3.365 -1.776 9.023) 9.793 20.076 ( -3.165 5.789 2.720) 7.136 20.405 ( 0.506 -1.227 2.325) 2.677 20.430 ( 1.643 3.728 -3.941) 5.668 20.837 ( -0.100 -5.183 -4.767) 7.043 21.443 ( 5.910 5.763 0.537) 8.272 22.374 ( 13.249 -21.622 8.411) 26.717 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.280 10.528 6.427) 12.544 1.667 ( -0.546 3.738 4.152) 5.614 1.924 ( 1.956 1.592 8.042) 8.428 1.959 ( -0.527 5.294 -1.618) 5.560 2.187 ( 2.894 3.740 6.630) 8.143 2.257 ( 2.597 -7.027 0.350) 7.500 2.431 ( -0.221 -0.027 1.941) 1.954 2.489 ( 3.507 1.944 -5.330) 6.670 2.525 ( -0.215 3.469 -3.159) 4.696 2.661 ( 1.278 -0.191 1.307) 1.838 2.690 ( 5.009 -0.182 -0.558) 5.043 2.771 ( -4.333 4.768 -0.370) 6.453 2.938 ( -2.050 -1.810 5.317) 5.979 2.986 ( 2.605 -2.133 -2.205) 4.025 3.036 ( -1.927 -3.040 -2.875) 4.607 3.190 ( -2.308 -1.820 -5.195) 5.969 3.275 ( 0.854 8.484 -4.097) 9.460 3.310 ( -5.128 -1.938 -2.651) 6.089 3.443 ( -5.983 8.429 -10.334) 14.616 3.536 ( 0.161 10.028 0.914) 10.071 3.740 ( 4.113 0.741 2.806) 5.034 3.803 ( 1.695 0.619 1.955) 2.661 3.886 ( -1.711 3.757 -0.091) 4.130 3.956 ( -2.180 9.699 -8.412) 13.022 4.131 ( 0.881 -1.722 3.269) 3.798 4.238 ( 0.624 0.062 1.261) 1.408 4.346 ( 3.065 0.734 -1.463) 3.475 4.739 ( -0.191 -7.089 -1.684) 7.289 4.817 ( -1.137 -4.359 -1.956) 4.911 4.950 ( 0.005 1.794 -0.047) 1.794 5.013 ( -1.228 -1.115 0.489) 1.729 5.224 ( 3.301 -4.388 -0.255) 5.497 5.250 ( -0.101 -3.453 1.605) 3.809 5.510 ( 5.269 0.466 5.702) 7.778 5.664 ( 8.511 -2.104 2.327) 9.071 5.730 ( -1.577 0.865 6.941) 7.170 5.921 ( 3.994 -8.375 1.377) 9.381 5.973 ( -0.111 -4.083 0.533) 4.119 6.094 ( -2.088 0.358 -3.600) 4.177 6.252 ( 0.083 -4.836 -1.553) 5.080 6.422 ( -9.004 -1.058 -4.604) 10.168 6.599 ( 1.031 6.684 2.650) 7.264 6.662 ( 0.777 3.815 1.796) 4.288 6.789 ( 0.042 -3.663 5.541) 6.643 6.940 ( -1.645 1.510 -2.745) 3.539 7.018 ( 1.010 1.686 0.014) 1.966 7.100 ( 1.671 1.882 2.153) 3.312 7.203 ( 4.015 -2.128 3.834) 5.946 7.247 ( -1.329 0.789 2.862) 3.252 7.360 ( -0.540 6.973 -3.895) 8.005 7.402 ( -0.416 2.400 -2.164) 3.258 7.491 ( -1.076 1.983 0.790) 2.390 7.584 ( -3.880 -1.526 0.058) 4.170 7.832 ( 2.339 2.806 -0.157) 3.656 7.907 ( -3.319 0.373 -2.724) 4.310 8.061 ( 1.504 2.458 -0.284) 2.896 8.782 ( 4.312 0.073 2.914) 5.205 9.051 ( 1.537 5.303 2.655) 6.127 9.225 ( -0.550 -5.415 -1.843) 5.746 9.313 ( 1.120 -2.669 1.827) 3.423 9.467 ( -2.413 -1.377 -3.867) 4.761 9.658 ( -0.031 8.800 1.308) 8.897 9.855 ( 3.755 -3.338 3.373) 6.051 9.921 ( 1.195 0.074 1.537) 1.948 10.076 ( -2.106 -1.785 -2.435) 3.681 10.144 ( -0.927 -4.659 0.241) 4.756 10.213 ( -6.238 10.491 -9.286) 15.337 10.529 ( -5.249 12.853 -6.677) 15.405 10.665 ( 0.268 5.552 1.748) 5.827 10.708 ( 0.329 2.501 -0.414) 2.556 10.823 ( -6.494 25.347 -8.066) 27.381 10.939 ( 3.462 3.094 4.524) 6.483 11.102 ( 2.185 -2.033 3.440) 4.554 11.345 ( -2.639 -1.629 -3.550) 4.714 11.520 ( 2.013 18.542 4.788) 19.256 11.657 ( 4.598 11.368 11.854) 17.056 11.747 ( 0.894 -7.966 1.562) 8.167 12.468 ( -19.519 -14.151 -28.418) 37.267 12.952 ( 13.179 13.256 17.336) 25.494 13.102 ( -0.205 5.212 -0.183) 5.219 13.215 ( -0.841 9.615 -0.287) 9.656 13.483 ( 0.484 8.533 -3.442) 9.214 13.532 ( -2.661 3.758 -0.870) 4.687 13.597 ( 0.804 -0.053 -2.173) 2.318 14.524 ( 1.877 -5.246 5.445) 7.790 14.590 ( 3.898 -18.126 4.028) 18.973 14.673 ( -6.458 -12.643 0.790) 14.219 15.285 ( -1.475 -36.258 -0.725) 36.296 15.629 ( 4.142 -7.142 6.830) 10.715 15.757 ( 9.727 -3.612 15.742) 18.854 15.897 ( 3.749 -7.009 4.562) 9.165 16.077 ( -4.039 -11.970 -5.529) 13.790 16.282 ( -10.328 -7.828 -17.123) 21.474 16.569 ( 1.924 -13.387 3.544) 13.981 16.757 ( -0.935 -3.784 -4.969) 6.315 17.150 ( -8.220 -13.530 -11.981) 19.854 18.123 ( -0.926 26.727 -1.516) 26.786 18.755 ( 1.831 17.330 1.569) 17.497 18.967 ( 1.103 11.181 2.396) 11.488 19.121 ( -3.337 19.220 -0.615) 19.517 19.313 ( -2.561 8.440 -3.115) 9.354 19.749 ( 1.059 -7.756 9.065) 11.977 20.048 ( 0.026 5.399 -0.044) 5.400 20.388 ( -1.437 -2.227 2.591) 3.707 20.466 ( 1.433 4.945 -3.694) 6.336 20.835 ( -1.014 -5.743 -0.337) 5.842 21.554 ( 3.944 5.981 -4.655) 8.544 22.573 ( 5.985 -22.835 5.363) 24.208 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.713 12.319 3.693) 13.697 1.720 ( 5.451 -0.674 0.105) 5.494 1.935 ( -2.058 6.519 0.066) 6.837 1.997 ( 3.993 3.300 5.400) 7.483 2.187 ( -3.271 0.601 7.373) 8.089 2.244 ( -6.928 6.630 4.566) 10.621 2.380 ( -3.593 0.938 -1.130) 3.881 2.480 ( -0.691 4.266 -5.466) 6.968 2.564 ( 1.261 2.099 -4.534) 5.153 2.657 ( -0.011 1.355 1.577) 2.079 2.722 ( 3.156 1.588 -2.662) 4.424 2.768 ( 1.238 3.540 -1.015) 3.885 2.894 ( -2.321 -3.663 2.199) 4.863 3.017 ( -0.344 -1.355 -1.300) 1.909 3.078 ( 4.918 -3.927 2.624) 6.818 3.126 ( -3.432 3.372 -4.827) 6.815 3.211 ( -1.837 -0.615 -0.026) 1.937 3.303 ( 0.816 0.303 -1.241) 1.516 3.352 ( -2.665 6.474 -4.032) 8.079 3.555 ( 0.171 2.088 0.560) 2.168 3.766 ( -2.059 -1.443 1.371) 2.864 3.813 ( -0.518 -0.676 0.560) 1.019 3.877 ( 0.035 6.872 1.188) 6.974 3.944 ( 1.860 13.355 -7.618) 15.487 4.128 ( -1.042 -3.974 3.007) 5.091 4.248 ( 0.491 2.347 0.429) 2.436 4.380 ( -0.637 -3.310 -3.792) 5.073 4.712 ( -0.467 -4.312 1.309) 4.530 4.798 ( -1.805 -5.730 -0.923) 6.078 4.940 ( -1.059 1.202 -0.050) 1.603 5.003 ( 0.530 0.348 1.617) 1.737 5.226 ( 0.780 -3.011 -1.038) 3.279 5.320 ( 3.049 -5.983 -4.667) 8.178 5.573 ( -1.434 3.734 1.319) 4.212 5.627 ( -7.327 1.585 5.837) 9.501 5.750 ( 0.734 -5.014 3.811) 6.340 5.929 ( -0.637 -6.762 0.515) 6.812 5.961 ( -3.290 -6.192 3.383) 7.785 6.113 ( 2.531 -6.836 -6.739) 9.927 6.266 ( -1.761 -1.163 -2.401) 3.197 6.348 ( 6.418 2.772 1.855) 7.233 6.615 ( 0.581 9.109 1.679) 9.280 6.678 ( -1.241 4.831 0.498) 5.013 6.786 ( 3.130 -2.118 6.158) 7.225 6.928 ( -1.577 -1.463 -3.993) 4.536 7.041 ( 0.734 -0.044 -0.895) 1.158 7.115 ( -0.017 1.829 1.413) 2.312 7.232 ( 0.676 4.932 4.885) 6.974 7.274 ( 0.624 -3.381 1.014) 3.585 7.326 ( -3.027 0.265 -5.574) 6.349 7.401 ( 1.145 2.690 -0.964) 3.078 7.476 ( 0.809 1.380 0.851) 1.812 7.588 ( 4.242 1.111 0.377) 4.402 7.847 ( 0.142 11.119 -0.434) 11.128 7.871 ( -1.062 -7.154 -0.755) 7.272 8.068 ( -0.935 1.162 -0.882) 1.733 8.825 ( -1.217 -0.257 0.174) 1.256 9.076 ( 1.006 7.421 0.548) 7.508 9.212 ( -0.663 -6.253 -0.858) 6.347 9.345 ( 0.893 0.753 1.626) 2.002 9.436 ( -0.401 -0.012 -1.393) 1.449 9.649 ( 1.220 7.983 0.432) 8.087 9.945 ( 0.899 0.038 -0.240) 0.931 9.959 ( 1.272 7.868 1.595) 8.129 9.994 ( -2.697 6.583 -3.894) 8.110 10.044 ( -1.692 -3.216 -1.173) 3.819 10.189 ( -0.030 -1.981 -0.113) 1.985 10.470 ( -0.250 4.336 -0.980) 4.453 10.663 ( 0.607 4.460 -0.008) 4.502 10.723 ( 0.165 3.851 0.211) 3.860 10.782 ( 1.490 27.964 -2.410) 28.107 10.989 ( 0.968 8.111 -0.249) 8.172 11.125 ( -0.157 0.845 1.662) 1.871 11.315 ( -0.213 -5.414 -1.165) 5.542 11.552 ( 1.087 19.810 0.317) 19.842 11.745 ( 1.049 -11.470 1.512) 11.617 11.882 ( 15.232 -1.913 25.014) 29.350 12.098 ( -15.830 -9.167 -26.039) 31.822 13.078 ( -1.925 5.774 1.053) 6.176 13.159 ( 1.119 5.804 -1.053) 6.004 13.188 ( 2.719 16.057 3.208) 16.599 13.457 ( -1.831 10.898 -0.213) 11.053 13.519 ( 0.715 4.161 0.627) 4.268 13.602 ( -1.265 -2.703 -3.469) 4.576 14.471 ( -2.768 6.592 8.268) 10.930 14.617 ( 1.309 -22.848 1.954) 22.969 14.731 ( 5.921 -19.261 -3.826) 20.511 15.260 ( -0.579 -39.241 1.684) 39.281 15.670 ( -0.755 25.200 -1.700) 25.269 15.832 ( 5.085 4.013 9.278) 11.315 15.997 ( -2.920 -12.384 -5.490) 13.857 16.089 ( -1.125 -28.013 -1.032) 28.055 16.176 ( 4.759 -18.170 5.820) 19.664 16.535 ( -4.427 -8.728 -5.368) 11.162 16.720 ( -1.232 -11.271 -2.128) 11.536 17.020 ( -2.324 -17.918 -3.089) 18.330 18.131 ( 1.008 29.479 -0.916) 29.510 18.824 ( 1.525 22.637 2.347) 22.809 18.883 ( -2.482 19.025 -1.730) 19.264 19.164 ( 2.170 13.160 6.699) 14.925 19.250 ( -1.202 6.588 -3.840) 7.720 19.813 ( 4.012 -10.405 3.224) 11.608 20.069 ( 2.033 5.347 -1.742) 5.980 20.367 ( -0.434 -0.389 3.078) 3.132 20.484 ( 0.370 3.565 -3.985) 5.360 20.786 ( -3.378 -4.189 3.402) 6.367 21.586 ( -0.872 5.105 -6.718) 8.483 22.616 ( -1.856 -24.304 1.451) 24.418 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.560 13.170 1.759) 13.379 1.791 ( -3.822 2.948 -1.546) 5.068 1.868 ( -4.067 8.662 2.274) 9.835 2.036 ( 2.374 1.612 1.144) 3.090 2.067 ( -1.928 7.931 -2.579) 8.560 2.180 ( 2.755 7.488 6.365) 10.206 2.317 ( -3.300 3.129 2.469) 5.175 2.488 ( 0.560 0.336 -1.293) 1.448 2.559 ( -2.517 -1.942 -5.663) 6.494 2.620 ( -3.700 0.015 -3.476) 5.077 2.707 ( 0.152 1.844 -4.189) 4.579 2.841 ( 1.487 -2.173 5.329) 5.944 2.909 ( 2.990 -4.701 -4.553) 7.195 3.054 ( 2.771 3.956 1.872) 5.180 3.102 ( 0.486 0.181 -0.344) 0.622 3.141 ( -4.099 2.613 0.895) 4.942 3.170 ( 4.073 -0.651 0.934) 4.229 3.292 ( -2.086 -2.250 2.703) 4.089 3.383 ( 5.593 8.308 7.175) 12.320 3.533 ( -1.208 0.952 -2.424) 2.871 3.663 ( -6.767 -1.861 -1.608) 7.200 3.799 ( -0.909 2.673 1.273) 3.097 3.866 ( -0.362 0.257 4.448) 4.470 4.028 ( 4.312 17.058 -5.022) 18.297 4.099 ( -1.272 -7.827 1.081) 8.003 4.258 ( 0.580 3.305 -1.206) 3.566 4.336 ( -2.194 -0.565 -6.579) 6.958 4.725 ( -1.199 -3.944 4.528) 6.124 4.760 ( 1.189 -5.050 -0.748) 5.242 4.929 ( 0.306 -2.942 0.102) 2.959 5.000 ( -1.186 -0.516 1.452) 1.945 5.257 ( -0.287 -0.196 -4.152) 4.167 5.310 ( -6.201 -5.179 -4.110) 9.065 5.447 ( -4.791 2.012 2.752) 5.880 5.505 ( -3.538 -4.971 -2.717) 6.679 5.795 ( 1.582 -2.893 1.699) 3.709 5.814 ( -7.996 -6.644 -2.585) 10.713 5.923 ( -0.799 -1.668 7.436) 7.663 6.164 ( 2.508 -5.152 -5.711) 8.090 6.272 ( 1.549 1.557 0.150) 2.202 6.491 ( 4.280 -3.568 3.892) 6.797 6.625 ( 0.714 11.450 -0.320) 11.476 6.644 ( -0.413 0.948 0.985) 1.428 6.874 ( 0.716 -3.400 -1.105) 3.646 6.921 ( 2.913 2.899 4.016) 5.746 7.019 ( -2.270 0.590 -2.230) 3.236 7.094 ( -1.121 4.139 -1.472) 4.534 7.212 ( -2.792 -4.602 -4.906) 7.283 7.276 ( 2.927 6.524 6.067) 9.378 7.316 ( 0.774 3.103 -2.429) 4.016 7.440 ( 1.476 1.897 -0.556) 2.467 7.503 ( 1.328 0.892 2.268) 2.776 7.685 ( 3.767 4.091 0.246) 5.567 7.813 ( -3.238 -4.435 -4.511) 7.107 7.911 ( 5.217 1.803 4.053) 6.848 8.039 ( -1.508 1.634 -0.954) 2.420 8.737 ( -6.088 1.076 -3.367) 7.040 9.078 ( -1.191 4.139 -2.847) 5.163 9.204 ( -0.057 -5.610 0.850) 5.674 9.330 ( -1.598 -0.823 -2.538) 3.109 9.453 ( 2.210 0.338 2.466) 3.328 9.705 ( 0.571 11.024 -2.978) 11.434 9.841 ( -2.776 -3.957 -2.340) 5.370 9.933 ( -2.276 3.169 -3.028) 4.939 10.061 ( 2.107 -2.451 3.412) 4.700 10.143 ( 8.387 5.877 10.369) 14.574 10.176 ( -0.165 0.486 0.101) 0.523 10.509 ( 3.893 8.712 4.398) 10.507 10.696 ( 2.073 1.382 0.476) 2.536 10.706 ( -1.422 5.012 -1.473) 5.414 10.878 ( 8.120 24.121 0.651) 25.459 10.991 ( 0.291 9.277 -3.279) 9.844 11.094 ( -2.628 1.549 -1.147) 3.259 11.332 ( 1.572 -4.445 1.133) 4.849 11.579 ( 1.898 15.088 -1.372) 15.268 11.755 ( -0.461 -9.555 -1.903) 9.754 11.818 ( -10.673 9.511 -16.112) 21.540 12.287 ( 22.356 -12.056 30.526) 39.711 13.011 ( -5.798 8.970 -7.859) 13.261 13.067 ( -4.153 2.965 -0.925) 5.186 13.291 ( 3.427 12.981 -2.383) 13.636 13.405 ( -2.953 4.032 -0.463) 5.019 13.523 ( -3.039 -3.606 -3.355) 5.787 13.573 ( 2.022 10.586 3.342) 11.283 14.462 ( 0.211 6.318 8.755) 10.799 14.632 ( 1.070 -20.281 -5.964) 21.166 14.862 ( 5.937 -14.497 -2.254) 15.827 15.264 ( 0.745 -36.792 2.953) 36.918 15.636 ( -2.022 13.387 -1.154) 13.588 15.859 ( -1.265 -2.608 0.948) 3.050 15.920 ( -16.095 -12.346 -18.265) 27.296 16.061 ( 0.145 -20.395 -0.829) 20.412 16.183 ( 9.057 -13.271 11.034) 19.491 16.584 ( 2.225 -9.262 2.678) 9.895 16.683 ( 0.340 -11.189 2.654) 11.504 17.080 ( 6.917 -15.374 9.912) 19.556 18.159 ( 2.282 28.642 -2.647) 28.854 18.749 ( -3.269 18.619 -3.275) 19.185 18.951 ( 1.922 15.518 4.117) 16.170 19.143 ( -0.155 16.612 0.985) 16.642 19.310 ( 4.249 7.254 2.298) 8.715 19.857 ( -1.165 -9.116 1.897) 9.384 20.126 ( 3.035 5.902 -1.985) 6.927 20.368 ( -0.951 5.173 2.460) 5.806 20.503 ( 3.897 -2.124 -6.447) 7.827 20.737 ( -0.223 -2.823 3.663) 4.630 21.528 ( -4.179 3.510 -6.237) 8.288 22.487 ( -11.084 -26.029 -1.659) 28.339 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -12.004 6.390 11.030) 17.510 1.643 ( -3.863 17.127 0.968) 17.584 1.825 ( -2.022 7.009 -2.227) 7.628 2.077 ( 1.035 11.001 0.973) 11.093 2.190 ( 7.782 2.675 -1.105) 8.303 2.248 ( -2.807 5.867 -0.168) 6.507 2.292 ( 7.302 3.428 -1.113) 8.143 2.484 ( -4.527 -1.841 -1.161) 5.023 2.515 ( 0.365 -0.772 -0.779) 1.156 2.534 ( -1.310 -8.113 -11.186) 13.880 2.746 ( -1.124 2.489 -4.680) 5.419 2.854 ( -1.961 -5.974 0.048) 6.288 2.901 ( 0.475 -1.747 -0.531) 1.887 3.074 ( 0.798 -0.178 -1.122) 1.389 3.091 ( 4.482 0.800 2.089) 5.009 3.128 ( -3.074 1.344 5.776) 6.680 3.193 ( -2.277 1.144 6.861) 7.318 3.252 ( -0.865 2.176 -2.254) 3.250 3.419 ( -4.622 1.108 -2.336) 5.296 3.556 ( -2.107 4.530 -2.817) 5.735 3.643 ( 8.695 14.198 9.641) 19.239 3.793 ( 1.669 -0.924 6.133) 6.423 3.884 ( 2.329 -5.442 7.792) 9.785 4.042 ( -0.114 0.599 0.286) 0.673 4.119 ( 1.309 5.685 -6.862) 9.007 4.279 ( 0.755 2.729 -1.426) 3.170 4.343 ( 3.957 4.655 -3.317) 6.952 4.688 ( -0.309 -6.430 0.026) 6.438 4.815 ( 0.979 -7.029 2.192) 7.428 4.913 ( -3.752 -1.111 -2.085) 4.434 4.982 ( 0.515 -4.487 -2.361) 5.096 5.091 ( -8.578 0.324 -1.200) 8.668 5.208 ( -4.381 -0.189 -3.123) 5.383 5.391 ( -4.829 -6.087 0.444) 7.783 5.499 ( 2.613 -7.921 -1.553) 8.485 5.666 ( -4.408 2.203 -2.545) 5.546 5.748 ( -5.974 -2.144 -3.680) 7.337 5.976 ( 5.209 2.703 8.670) 10.470 6.187 ( -1.336 -7.672 -3.256) 8.441 6.311 ( 2.618 2.690 -0.773) 3.832 6.507 ( -0.600 0.731 1.021) 1.391 6.638 ( -0.274 9.227 -0.702) 9.257 6.667 ( 1.463 1.556 2.625) 3.384 6.866 ( -4.407 0.479 -1.555) 4.698 6.908 ( 2.385 -4.847 2.059) 5.782 6.997 ( -0.016 3.093 -1.478) 3.428 7.071 ( -2.950 2.874 -0.342) 4.132 7.205 ( 0.755 -0.895 -2.364) 2.638 7.318 ( 0.469 2.727 -0.119) 2.770 7.389 ( 5.354 3.893 2.784) 7.181 7.428 ( -1.402 4.416 -1.596) 4.901 7.534 ( 1.942 -0.550 2.216) 2.998 7.741 ( 1.680 3.146 0.126) 3.569 7.782 ( 1.177 -0.290 0.293) 1.247 7.978 ( -1.822 0.842 0.054) 2.008 8.022 ( 1.033 0.852 -1.712) 2.174 8.639 ( -2.129 1.184 -0.213) 2.445 9.030 ( -3.156 -0.536 -4.860) 5.819 9.208 ( 0.489 -4.406 1.336) 4.630 9.301 ( -1.205 -2.871 -1.661) 3.529 9.526 ( 4.787 -1.457 4.910) 7.010 9.651 ( -3.013 6.725 -4.124) 8.445 9.812 ( -2.055 -0.176 -2.639) 3.349 9.906 ( -1.199 -6.240 -0.993) 6.431 10.089 ( 0.417 -2.451 1.243) 2.779 10.136 ( -1.224 -5.198 -1.125) 5.458 10.314 ( 5.746 7.075 7.174) 11.599 10.613 ( 4.692 16.989 6.561) 18.807 10.644 ( -3.216 6.960 -4.526) 8.904 10.757 ( 3.196 0.576 2.044) 3.838 10.943 ( -1.589 -0.221 -4.652) 4.921 11.025 ( -3.226 -0.048 -1.711) 3.652 11.177 ( 11.104 17.302 1.832) 20.640 11.392 ( 7.165 6.230 7.296) 11.974 11.596 ( -4.528 14.514 -6.730) 16.627 11.658 ( 1.721 15.577 -0.439) 15.678 11.785 ( 2.810 -0.963 -1.517) 3.336 12.664 ( 3.865 -0.317 5.041) 6.360 12.879 ( 0.667 3.782 -0.840) 3.931 13.045 ( 2.687 -1.745 6.962) 7.664 13.269 ( -3.911 5.256 -8.193) 10.491 13.380 ( -1.210 3.397 0.580) 3.652 13.506 ( 3.776 -3.971 3.263) 6.377 13.642 ( 3.596 14.073 5.642) 15.583 14.426 ( -3.790 4.191 2.058) 6.014 14.698 ( 5.893 -12.659 -12.518) 18.753 14.917 ( -1.538 -7.499 2.505) 8.055 15.282 ( -0.067 -30.115 0.403) 30.117 15.460 ( -22.027 -16.739 -22.986) 35.969 15.592 ( -2.916 -25.906 -6.220) 26.801 15.917 ( 6.673 0.506 13.630) 15.184 16.122 ( 4.147 -10.062 6.512) 12.682 16.397 ( 6.415 -13.615 7.851) 16.975 16.544 ( 0.980 -5.785 2.317) 6.309 16.732 ( 0.629 3.268 -1.519) 3.658 17.229 ( 5.652 -9.779 7.751) 13.698 18.262 ( 8.488 22.038 -0.268) 23.618 18.728 ( 1.024 12.998 2.279) 13.236 18.901 ( -5.126 7.533 -5.668) 10.731 19.192 ( 2.632 15.290 4.066) 16.039 19.392 ( 3.850 12.307 0.557) 12.907 19.750 ( -7.838 -1.775 1.924) 8.264 20.188 ( 2.968 8.517 -2.152) 9.272 20.295 ( -4.424 6.599 2.342) 8.283 20.664 ( 7.400 -5.416 -6.522) 11.253 20.802 ( 6.747 -6.339 1.460) 9.372 21.456 ( -0.898 1.211 -2.630) 3.031 22.154 ( -21.064 -24.447 -1.276) 32.295 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.047 13.434 5.534) 14.529 1.842 ( -1.807 4.846 -5.990) 7.914 1.867 ( -1.439 2.216 0.711) 2.736 2.041 ( -6.208 -9.944 -9.078) 14.827 2.160 ( -0.365 -3.040 -0.572) 3.115 2.247 ( -1.590 -9.072 -1.493) 9.330 2.344 ( -0.347 7.579 1.489) 7.732 2.417 ( -1.636 2.285 -1.829) 3.354 2.531 ( 3.104 0.844 0.381) 3.239 2.560 ( 1.040 -1.360 -0.981) 1.973 2.749 ( -0.420 6.971 -0.813) 7.031 2.835 ( -0.899 5.665 -1.222) 5.865 2.927 ( -2.056 -5.237 3.632) 6.696 3.032 ( 1.232 -7.886 1.898) 8.204 3.065 ( 5.069 3.432 1.351) 6.268 3.144 ( 4.844 -0.003 1.282) 5.011 3.198 ( -5.665 -2.847 -1.682) 6.559 3.218 ( -0.072 0.087 4.452) 4.453 3.302 ( -1.162 3.442 -2.965) 4.689 3.450 ( -2.411 -11.452 -3.874) 12.327 3.889 ( 0.385 4.295 5.368) 6.886 3.949 ( 1.577 -1.862 2.134) 3.242 4.074 ( 8.821 11.319 11.499) 18.389 4.141 ( 9.164 5.630 7.868) 13.326 4.261 ( -2.437 5.617 -3.082) 6.855 4.428 ( -2.372 8.120 -8.336) 11.877 4.440 ( -2.775 -9.984 0.495) 10.374 4.612 ( 3.525 -9.869 -2.224) 10.713 4.634 ( 2.919 8.792 1.431) 9.373 4.797 ( -4.772 -2.887 -7.081) 9.014 4.917 ( -3.160 3.263 -2.195) 5.045 5.035 ( -2.796 -5.880 -0.543) 6.534 5.152 ( 1.388 1.112 -1.992) 2.671 5.192 ( 0.153 -1.733 -1.035) 2.025 5.458 ( -0.180 -0.953 2.415) 2.603 5.514 ( -1.956 -5.432 0.047) 5.774 5.796 ( -1.851 9.055 -1.098) 9.307 5.969 ( -3.007 -7.077 -1.856) 7.910 6.243 ( 6.690 7.033 5.820) 11.318 6.365 ( 0.790 -1.878 -1.609) 2.596 6.502 ( -1.198 -0.268 -0.269) 1.257 6.580 ( -4.430 -5.085 -3.709) 7.697 6.853 ( 0.936 4.508 2.272) 5.134 6.874 ( 1.808 1.346 0.279) 2.271 6.926 ( -0.991 7.820 0.863) 7.930 7.015 ( -1.399 1.624 -0.128) 2.147 7.071 ( 2.013 -2.744 2.428) 4.181 7.128 ( -2.569 -3.820 -2.809) 5.393 7.338 ( 0.147 1.022 2.125) 2.362 7.391 ( 0.100 -3.340 0.966) 3.479 7.533 ( 0.507 1.832 0.490) 1.963 7.549 ( 0.726 0.933 0.542) 1.301 7.858 ( 3.649 5.265 0.853) 6.463 7.917 ( 3.337 0.863 2.760) 4.416 7.932 ( -3.970 2.665 -1.500) 5.011 8.007 ( -0.905 -3.902 -2.317) 4.627 8.744 ( 0.943 7.895 0.561) 7.971 8.889 ( -3.741 -4.354 -5.557) 7.990 9.133 ( 0.750 -2.710 1.489) 3.181 9.176 ( -1.520 -5.221 -2.071) 5.818 9.592 ( 2.802 0.981 2.850) 4.116 9.648 ( -4.412 1.627 -3.446) 5.830 9.685 ( -0.300 -5.691 -0.926) 5.774 9.733 ( -4.500 -3.958 -4.551) 7.525 10.034 ( 0.390 -1.392 0.695) 1.604 10.042 ( 0.587 -2.265 0.911) 2.511 10.507 ( 3.618 5.656 3.790) 7.710 10.601 ( -2.513 -0.235 -3.531) 4.340 10.726 ( 0.381 -0.762 -0.042) 0.853 10.816 ( -4.381 -5.751 -4.086) 8.304 11.023 ( 1.038 7.124 0.607) 7.225 11.056 ( 0.863 3.849 0.562) 3.984 11.432 ( 1.316 2.970 0.430) 3.276 11.524 ( -0.998 -6.425 -0.238) 6.506 11.985 ( 6.379 21.121 9.692) 24.098 12.085 ( 18.183 9.732 21.544) 29.824 12.326 ( -2.036 26.508 -4.513) 26.966 12.610 ( -15.172 5.303 -20.278) 25.875 13.037 ( 4.154 3.849 4.981) 7.542 13.073 ( 2.740 -2.581 4.320) 5.730 13.236 ( 5.330 0.372 9.869) 11.223 13.387 ( 1.630 -3.686 0.014) 4.031 13.545 ( 1.416 -2.884 -1.341) 3.482 13.702 ( -6.293 -13.421 -8.198) 16.939 14.372 ( -8.611 3.457 3.679) 9.982 14.524 ( -5.185 -14.761 -3.981) 16.144 14.745 ( 4.977 -4.327 -5.536) 8.610 14.878 ( 3.521 -13.042 -4.349) 14.192 14.961 ( -2.224 3.128 -5.059) 6.350 15.046 ( -8.809 -1.638 -9.303) 12.916 15.607 ( 1.133 -13.609 1.302) 13.718 15.767 ( -6.730 -23.419 -8.918) 25.948 16.620 ( 8.846 12.839 13.468) 20.603 16.760 ( 2.474 -0.365 1.512) 2.923 16.978 ( 7.688 11.038 9.967) 16.742 17.174 ( 4.842 -7.577 5.935) 10.774 18.671 ( 0.013 8.807 -4.987) 10.121 18.789 ( -5.298 -1.133 -7.508) 9.259 18.964 ( 0.452 5.100 0.383) 5.134 19.085 ( -4.165 -6.740 -4.582) 9.153 19.761 ( 3.160 8.118 1.052) 8.774 19.801 ( 2.403 3.624 0.932) 4.447 20.359 ( -4.698 8.359 3.834) 10.327 20.467 ( 1.489 7.377 -2.528) 7.939 20.552 ( -2.545 -4.483 2.229) 5.617 20.720 ( 2.953 -10.610 -2.551) 11.304 21.478 ( -1.520 -0.673 2.333) 2.865 21.528 ( -1.091 -6.103 3.400) 7.071 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 3.404 11.337 8.050) 14.315 1.845 ( 0.709 -0.558 -0.775) 1.190 1.876 ( 2.711 0.456 3.839) 4.722 1.991 ( 1.686 -2.580 2.196) 3.784 2.129 ( -3.146 -6.230 -0.299) 6.985 2.160 ( -5.455 -6.075 1.940) 8.393 2.319 ( -0.823 7.643 0.724) 7.721 2.397 ( -0.042 2.740 0.224) 2.749 2.501 ( -3.414 -1.388 -3.912) 5.374 2.533 ( -2.769 -2.970 -2.427) 4.730 2.775 ( 0.537 4.608 0.216) 4.644 2.810 ( -0.028 1.029 -0.843) 1.330 2.954 ( 3.091 2.478 2.432) 4.649 3.037 ( -3.954 -4.230 -4.580) 7.382 3.077 ( 1.728 2.466 2.504) 3.917 3.176 ( 3.477 -3.357 -1.805) 5.159 3.223 ( 1.927 3.182 4.248) 5.647 3.253 ( -1.663 0.394 -1.896) 2.553 3.349 ( 8.291 -1.158 0.978) 8.428 3.454 ( 2.660 -11.537 0.592) 11.854 3.886 ( -0.703 4.023 2.651) 4.869 3.941 ( -1.016 -2.854 -0.599) 3.088 4.148 ( -3.457 6.937 -6.760) 10.285 4.208 ( -3.359 11.420 -8.506) 14.631 4.298 ( 3.192 8.935 -1.426) 9.595 4.358 ( 1.574 3.160 2.007) 4.061 4.470 ( 2.506 -0.972 3.433) 4.360 4.600 ( -3.743 -10.308 -9.598) 14.573 4.647 ( -2.379 6.468 -4.636) 8.306 4.800 ( 5.772 -4.752 4.653) 8.806 4.915 ( 3.154 3.814 2.932) 5.752 5.039 ( 3.412 -6.147 5.691) 9.045 5.196 ( 3.888 3.625 -3.568) 6.402 5.278 ( 5.958 -3.700 -2.545) 7.461 5.414 ( -3.259 -1.230 3.633) 5.033 5.466 ( -2.384 -5.752 3.289) 7.041 5.802 ( 2.078 7.064 2.369) 7.735 5.945 ( 0.468 -6.238 3.704) 7.270 6.268 ( -5.572 4.408 -8.452) 11.042 6.324 ( -1.778 1.213 -0.410) 2.191 6.508 ( 0.570 -1.422 0.921) 1.787 6.559 ( 1.924 -5.742 4.843) 7.754 6.834 ( -2.984 5.688 1.334) 6.560 6.868 ( -1.636 1.475 -1.368) 2.593 6.908 ( -0.888 4.800 -0.025) 4.881 6.993 ( -0.682 -0.057 2.828) 2.910 7.077 ( -0.392 -2.630 -0.207) 2.667 7.105 ( 1.234 -5.642 0.782) 5.828 7.383 ( 2.203 2.702 0.368) 3.505 7.408 ( 1.409 0.957 2.731) 3.219 7.537 ( -0.306 1.345 -1.568) 2.089 7.546 ( -1.101 1.467 -0.765) 1.987 7.802 ( -6.217 5.813 -3.121) 9.066 7.895 ( -3.029 0.354 -1.574) 3.432 7.982 ( 1.158 -0.353 1.144) 1.666 7.995 ( 2.765 -1.421 -0.340) 3.127 8.763 ( 0.205 6.655 -1.855) 6.912 8.868 ( 2.927 -2.702 3.270) 5.154 9.145 ( -0.928 -4.391 -1.292) 4.670 9.163 ( 1.103 -5.248 1.521) 5.574 9.576 ( -2.711 1.956 -1.547) 3.683 9.648 ( 2.713 1.957 3.552) 4.879 9.676 ( -0.091 -6.739 0.312) 6.747 9.727 ( 3.497 -4.678 4.176) 7.180 10.039 ( 0.020 -1.119 -0.162) 1.131 10.049 ( 0.181 -1.886 -0.125) 1.899 10.516 ( -4.417 4.733 -4.981) 8.168 10.578 ( 2.173 1.789 3.288) 4.328 10.719 ( -1.697 -1.896 -1.584) 2.997 10.800 ( 3.226 -6.098 4.792) 8.399 11.020 ( -1.058 6.973 -1.356) 7.182 11.068 ( 0.057 4.535 -1.016) 4.648 11.414 ( -2.649 3.228 -1.914) 4.593 11.525 ( 0.983 -6.861 1.737) 7.145 12.022 ( -2.498 22.618 -2.587) 22.902 12.160 ( -19.577 8.629 -24.486) 32.516 12.284 ( -2.579 30.127 -0.334) 30.239 12.497 ( 13.516 6.945 18.992) 24.323 13.050 ( -5.808 -0.929 -4.736) 7.552 13.083 ( 1.575 1.373 -0.070) 2.091 13.340 ( -2.430 1.561 -5.277) 6.015 13.366 ( 2.005 0.530 2.980) 3.631 13.570 ( -0.449 -8.900 -6.354) 10.945 13.673 ( 5.471 -13.438 5.115) 15.384 14.205 ( -6.632 -1.849 9.244) 11.526 14.357 ( -7.548 -15.709 5.849) 18.384 14.777 ( -1.473 -3.152 -7.009) 7.825 14.889 ( -4.121 -11.622 -7.513) 14.440 14.986 ( 7.101 4.549 4.405) 9.515 15.087 ( 8.294 -1.713 5.290) 9.985 15.618 ( -1.575 -15.621 -2.275) 15.865 15.729 ( 4.423 -23.377 5.826) 24.494 16.725 ( -4.482 7.741 -9.130) 12.781 16.749 ( 1.903 5.344 2.374) 6.149 17.024 ( -3.765 11.032 -5.875) 13.053 17.203 ( -1.743 -6.301 -3.461) 7.397 18.615 ( -3.928 9.865 -3.280) 11.113 18.764 ( 2.189 -3.307 2.909) 4.918 18.972 ( -0.282 4.204 -1.181) 4.376 19.075 ( 3.941 -6.356 4.619) 8.790 19.768 ( -2.474 9.944 -3.424) 10.805 19.849 ( 0.520 1.109 -1.965) 2.316 20.272 ( -3.729 5.687 2.930) 7.405 20.376 ( -6.366 -4.507 6.733) 10.304 20.554 ( 1.247 8.990 -3.350) 9.674 20.734 ( -0.722 -8.017 -3.747) 8.878 21.479 ( 4.577 7.485 3.671) 9.511 21.698 ( 12.193 -14.084 4.604) 19.189 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -2.511 6.507 10.857) 12.904 1.870 ( -4.854 -3.357 7.440) 9.497 1.878 ( 1.190 3.774 7.679) 8.638 2.036 ( 0.661 0.673 0.204) 0.965 2.085 ( 1.588 -5.468 3.678) 6.778 2.110 ( 1.592 -3.516 7.783) 8.687 2.369 ( 5.179 4.004 -1.197) 6.655 2.415 ( 2.179 0.883 2.163) 3.195 2.484 ( 2.194 -3.516 -4.444) 6.076 2.495 ( 0.321 -2.745 -1.471) 3.131 2.747 ( -1.257 4.663 -2.509) 5.442 2.838 ( 1.225 -3.129 -2.426) 4.145 2.979 ( -1.563 5.590 1.592) 6.019 2.997 ( -1.034 0.926 -1.281) 1.889 3.067 ( -2.149 2.577 0.357) 3.375 3.190 ( -1.753 -3.608 -2.483) 4.718 3.244 ( 2.549 0.789 -2.558) 3.696 3.322 ( 4.916 -2.439 -0.015) 5.488 3.470 ( 2.817 -3.767 0.064) 4.704 3.539 ( 4.754 -6.688 2.901) 8.703 3.844 ( -3.531 7.279 -4.470) 9.243 3.945 ( -0.698 -2.950 0.234) 3.041 4.018 ( -6.427 4.933 -14.314) 16.448 4.066 ( -6.661 4.171 -13.983) 16.041 4.342 ( -0.125 8.056 -2.253) 8.366 4.376 ( 0.017 9.121 -0.905) 9.166 4.503 ( 1.857 -6.793 2.743) 7.558 4.583 ( 1.503 20.746 1.037) 20.827 4.627 ( -0.798 -12.143 -4.579) 13.002 4.905 ( 4.755 -6.262 5.488) 9.589 5.011 ( 4.650 6.372 0.880) 7.937 5.156 ( 6.031 -2.228 8.819) 10.914 5.252 ( -2.211 1.876 -1.987) 3.515 5.330 ( 0.124 -5.287 -0.731) 5.339 5.419 ( 7.361 -1.209 5.200) 9.093 5.513 ( 7.289 -9.335 4.440) 12.649 5.847 ( 1.736 4.782 1.682) 5.359 5.953 ( -0.437 -5.140 3.676) 6.335 6.152 ( -5.321 3.806 -8.512) 10.735 6.253 ( -4.728 -3.788 -3.380) 6.938 6.521 ( -0.123 1.572 3.014) 3.401 6.575 ( 0.185 -2.848 5.085) 5.832 6.760 ( -2.786 2.552 2.875) 4.748 6.846 ( 0.116 1.807 1.115) 2.127 6.898 ( -0.505 2.477 -0.353) 2.552 7.014 ( 2.804 -2.339 3.984) 5.404 7.094 ( 0.638 -1.293 -0.744) 1.622 7.122 ( 0.185 -2.708 -2.126) 3.448 7.373 ( -2.533 4.512 -0.690) 5.220 7.429 ( -0.659 -0.103 1.795) 1.915 7.501 ( -2.508 3.460 -2.766) 5.091 7.524 ( -0.944 0.252 -0.251) 1.009 7.689 ( -4.213 4.093 -1.151) 5.986 7.792 ( -5.232 -4.569 -3.601) 7.824 8.014 ( 2.060 3.791 0.243) 4.321 8.061 ( 2.745 -0.495 -0.634) 2.861 8.788 ( 2.726 8.457 0.783) 8.920 8.971 ( 5.666 -6.136 5.384) 9.937 9.133 ( 0.453 -1.199 0.946) 1.593 9.192 ( 2.058 -5.091 3.193) 6.352 9.526 ( -2.458 3.701 -1.707) 4.759 9.666 ( -1.216 -8.702 -0.072) 8.787 9.730 ( 5.277 4.509 7.434) 10.171 9.825 ( 4.893 -4.114 7.018) 9.493 10.034 ( -0.310 -1.747 -0.273) 1.795 10.050 ( -0.270 -2.470 -0.866) 2.631 10.436 ( -2.932 6.084 -3.430) 7.575 10.582 ( -0.547 -7.325 0.008) 7.345 10.739 ( 2.950 5.941 4.862) 8.224 10.867 ( 2.535 -4.491 5.034) 7.207 10.997 ( -0.891 4.973 -2.260) 5.535 11.044 ( -2.753 4.681 -4.671) 7.163 11.354 ( -2.661 7.091 -1.876) 7.803 11.544 ( 0.292 -9.706 1.498) 9.825 11.682 ( -22.417 16.411 -27.034) 38.765 11.887 ( -11.286 3.913 -15.362) 19.459 12.257 ( -0.093 36.788 3.815) 36.986 12.776 ( 11.786 -6.098 16.845) 21.445 12.832 ( -11.632 13.839 -11.527) 21.441 13.094 ( -0.407 -3.776 -2.496) 4.545 13.350 ( 3.974 3.706 0.667) 5.474 13.430 ( 3.691 -3.177 0.399) 4.886 13.576 ( 0.150 2.909 -6.462) 7.088 13.741 ( 0.139 -8.763 2.130) 9.020 14.136 ( -0.030 -8.542 8.562) 12.095 14.239 ( -4.224 -16.968 8.294) 19.353 14.734 ( -2.701 -2.296 -3.303) 4.846 14.789 ( -5.306 -9.397 -3.951) 11.492 15.180 ( 11.127 -3.673 15.760) 19.638 15.283 ( 10.876 -6.913 13.468) 18.641 15.618 ( 2.614 -5.648 3.350) 7.068 15.871 ( 8.258 -22.634 11.528) 26.710 16.548 ( -11.100 14.246 -16.919) 24.748 16.734 ( -4.111 -2.692 -8.689) 9.982 16.855 ( -11.372 11.532 -16.448) 23.084 17.094 ( -8.779 -10.678 -13.272) 19.163 18.577 ( 0.536 16.813 2.684) 17.034 18.840 ( 4.864 -7.159 8.305) 11.995 18.998 ( 3.292 9.747 2.882) 10.684 19.189 ( 6.271 -8.762 6.190) 12.427 19.657 ( -7.927 12.231 -4.723) 15.321 19.787 ( -6.202 -1.193 -0.618) 6.346 20.199 ( -2.680 5.836 1.936) 6.708 20.311 ( -0.909 -5.267 1.420) 5.530 20.576 ( 1.016 7.628 -2.415) 8.066 20.721 ( -0.250 -6.352 -3.276) 7.151 21.623 ( 7.844 12.233 1.965) 14.664 21.946 ( 10.834 -19.162 4.384) 22.445 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -2.844 4.041 5.990) 7.765 1.764 ( -3.302 -0.643 5.532) 6.474 1.934 ( 3.983 2.339 12.593) 13.414 2.037 ( -0.021 -1.912 1.762) 2.600 2.115 ( 1.069 -1.497 5.777) 6.063 2.192 ( 4.245 -3.041 5.909) 7.885 2.443 ( 1.801 2.075 4.837) 5.563 2.496 ( 4.745 -1.701 1.971) 5.412 2.559 ( 4.318 0.392 -0.100) 4.337 2.585 ( 7.202 -1.929 -2.230) 7.782 2.741 ( 0.146 3.869 -4.595) 6.009 2.837 ( -4.049 -3.156 -8.226) 9.696 2.908 ( -1.028 0.794 1.055) 1.673 2.947 ( -4.093 0.683 3.006) 5.124 3.040 ( -0.680 5.403 -2.003) 5.802 3.165 ( -1.044 -2.769 -1.651) 3.389 3.264 ( -1.277 1.236 -4.860) 5.175 3.365 ( -1.171 -5.287 -5.012) 7.379 3.515 ( 1.258 0.234 1.083) 1.676 3.573 ( -1.420 -2.060 0.317) 2.523 3.753 ( -4.218 5.595 -10.122) 12.310 3.828 ( -4.032 0.881 -3.871) 5.658 3.987 ( -1.220 2.360 -5.377) 5.997 4.032 ( 1.995 -1.960 -2.278) 3.607 4.329 ( -0.659 7.586 -2.749) 8.096 4.370 ( -0.408 9.072 -1.552) 9.213 4.521 ( -0.862 -7.899 -0.143) 7.947 4.612 ( 0.710 -8.898 -0.095) 8.926 4.621 ( 1.078 21.787 0.691) 21.825 4.984 ( 2.323 -3.364 3.054) 5.103 5.088 ( 2.496 4.490 -0.896) 5.214 5.160 ( -4.023 -2.968 2.056) 5.405 5.200 ( 0.290 2.931 0.897) 3.079 5.420 ( 6.472 -11.305 6.274) 14.459 5.610 ( 6.815 -0.020 3.637) 7.725 5.672 ( 7.501 -5.418 6.506) 11.311 5.878 ( 0.183 2.692 0.885) 2.839 5.921 ( -2.266 -1.246 1.128) 2.821 6.050 ( -3.734 -1.162 -10.080) 10.812 6.118 ( -6.804 -6.894 -4.255) 10.579 6.536 ( 1.773 7.854 3.415) 8.746 6.609 ( 3.604 -0.923 7.311) 8.203 6.741 ( 0.594 1.348 4.993) 5.206 6.864 ( -1.559 9.247 -2.226) 9.638 6.874 ( 0.759 -7.785 1.571) 7.978 7.040 ( -3.265 -4.586 -3.807) 6.796 7.099 ( 2.894 0.292 1.289) 3.181 7.126 ( -0.029 -0.119 -0.541) 0.555 7.312 ( -2.264 2.828 0.068) 3.623 7.370 ( -4.390 -2.919 -3.091) 6.111 7.472 ( -0.223 3.568 0.349) 3.592 7.512 ( -0.297 -0.346 1.209) 1.293 7.627 ( -1.616 4.420 -0.448) 4.728 7.731 ( -0.743 -5.842 -1.182) 6.006 8.050 ( 0.980 5.787 -0.767) 5.919 8.099 ( 0.861 0.506 -1.215) 1.572 8.851 ( 2.396 6.905 1.009) 7.378 9.038 ( 0.589 -10.073 -1.047) 10.145 9.199 ( 5.573 5.979 7.558) 11.132 9.269 ( 5.552 -1.842 7.763) 9.720 9.469 ( -3.112 3.143 -2.813) 5.242 9.616 ( -3.640 -9.303 -2.623) 10.329 9.849 ( 5.961 3.675 7.958) 10.601 9.914 ( 4.014 -1.715 6.042) 7.453 10.025 ( -1.055 -2.577 -0.113) 2.787 10.034 ( -1.025 -3.633 -0.794) 3.857 10.414 ( 1.250 10.077 0.074) 10.155 10.604 ( 2.649 -7.071 2.760) 8.039 10.793 ( 0.513 6.861 3.156) 7.569 10.884 ( -9.537 10.259 -13.200) 19.246 10.902 ( 0.980 1.237 2.171) 2.684 11.029 ( 2.148 -2.765 1.702) 3.893 11.291 ( -6.718 0.022 -10.083) 12.116 11.337 ( -5.717 14.610 -4.672) 16.370 11.508 ( -7.757 -11.697 -12.065) 18.509 11.655 ( -6.226 -11.089 -8.445) 15.266 12.267 ( 0.896 43.849 2.578) 43.934 12.642 ( -5.707 27.041 -6.185) 28.320 12.975 ( 5.565 -15.641 9.433) 19.095 13.096 ( 1.917 -8.385 -0.143) 8.602 13.434 ( 2.550 5.444 3.530) 6.972 13.502 ( 2.207 -1.297 0.591) 2.627 13.559 ( -1.267 4.626 -8.104) 9.417 13.703 ( -2.378 -2.915 -0.984) 3.889 14.183 ( 3.408 -14.986 1.923) 15.488 14.190 ( 0.043 -14.062 4.973) 14.915 14.663 ( -3.472 2.117 3.702) 5.499 14.696 ( -3.385 -11.964 -1.289) 12.501 15.421 ( 11.355 -8.324 18.417) 23.182 15.523 ( 12.142 -15.942 17.534) 26.627 15.741 ( 9.095 7.452 13.057) 17.570 16.036 ( 6.484 -17.790 9.420) 21.148 16.310 ( -10.882 17.968 -17.075) 27.071 16.581 ( -11.256 9.620 -17.285) 22.760 16.613 ( -9.667 -8.875 -16.130) 20.794 16.866 ( -12.433 -14.370 -17.645) 25.932 18.620 ( 2.906 21.209 4.166) 21.809 18.947 ( 4.987 -8.365 7.871) 12.521 19.108 ( 7.194 12.598 7.152) 16.175 19.315 ( 5.234 -6.515 3.392) 9.020 19.472 ( -9.190 13.013 -5.703) 16.921 19.640 ( -6.664 -4.448 -0.227) 8.015 20.172 ( -0.160 6.449 -0.151) 6.453 20.299 ( -0.401 -5.657 0.257) 5.677 20.593 ( 0.515 6.453 -1.988) 6.772 20.718 ( -0.418 -5.783 -1.682) 6.038 21.752 ( 3.975 13.718 -0.303) 14.285 22.112 ( 4.829 -21.049 2.728) 21.768 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 4.114 2.595 4.088) 6.354 1.769 ( 3.571 -1.671 4.424) 5.926 2.022 ( 3.484 1.150 5.754) 6.824 2.041 ( 0.700 3.030 -0.107) 3.111 2.131 ( 0.908 1.226 2.369) 2.818 2.263 ( 2.917 -6.116 5.929) 9.003 2.466 ( -0.025 4.176 4.087) 5.843 2.541 ( -2.762 -2.622 2.997) 4.846 2.625 ( -3.157 6.841 -6.868) 10.195 2.662 ( -1.653 1.877 -5.408) 5.959 2.710 ( -1.799 -1.527 -8.448) 8.771 2.738 ( 0.341 -4.241 -2.904) 5.151 2.898 ( 0.825 2.217 2.465) 3.417 2.951 ( 3.969 -3.567 4.319) 6.865 3.032 ( 0.832 4.457 -1.511) 4.779 3.135 ( -1.836 -1.840 0.554) 2.658 3.210 ( -2.881 1.436 -0.996) 3.370 3.313 ( -2.519 -6.941 -2.419) 7.770 3.483 ( -2.091 5.666 -0.449) 6.056 3.580 ( 0.991 -3.822 3.998) 5.619 3.676 ( -3.083 5.724 -6.101) 8.916 3.807 ( 0.013 -3.683 0.413) 3.706 3.957 ( -2.147 3.813 -2.706) 5.145 4.044 ( -1.037 -3.711 -2.304) 4.490 4.313 ( -0.728 5.365 -2.679) 6.040 4.375 ( 0.853 10.501 -0.860) 10.571 4.505 ( 0.241 -10.089 0.216) 10.094 4.600 ( -1.201 0.942 1.699) 2.284 4.651 ( 0.678 14.742 -1.480) 14.831 4.992 ( -1.651 -4.701 1.869) 5.321 5.051 ( -2.109 6.484 2.096) 7.133 5.191 ( 3.378 -7.126 -1.284) 7.990 5.236 ( 2.940 6.693 -2.164) 7.623 5.494 ( -0.817 -14.287 -0.306) 14.314 5.649 ( -3.299 4.362 1.275) 5.616 5.743 ( -5.268 4.150 6.916) 9.634 5.774 ( -2.958 -7.494 1.509) 8.196 5.844 ( -3.115 -5.364 6.589) 9.049 6.057 ( 4.580 0.997 -9.016) 10.161 6.135 ( 5.666 -6.279 -4.870) 9.759 6.557 ( -0.113 11.984 1.224) 12.047 6.708 ( 1.167 -1.447 3.751) 4.187 6.734 ( 1.595 2.754 1.730) 3.622 6.855 ( 2.058 -4.886 1.460) 5.499 6.873 ( -1.601 5.325 -1.236) 5.696 6.988 ( -0.208 -3.186 -0.718) 3.272 7.124 ( 0.161 -0.760 -0.481) 0.914 7.146 ( 0.217 -4.405 -0.865) 4.495 7.302 ( 1.413 0.640 2.324) 2.794 7.310 ( -0.099 -0.668 -0.578) 0.888 7.475 ( 0.214 3.270 0.511) 3.316 7.509 ( 0.100 0.428 1.423) 1.489 7.637 ( 2.509 3.681 -0.983) 4.562 7.730 ( 0.111 -5.601 -1.491) 5.797 8.046 ( -1.257 6.202 -0.439) 6.343 8.093 ( -1.392 0.553 -0.679) 1.644 8.864 ( -1.094 5.127 -0.621) 5.279 9.029 ( -0.989 -9.907 -0.858) 9.993 9.291 ( 1.307 12.390 1.628) 12.565 9.378 ( 1.886 2.237 2.864) 4.095 9.419 ( 0.015 -1.545 -0.333) 1.581 9.548 ( -0.764 -11.188 0.088) 11.214 9.940 ( 0.883 1.050 0.242) 1.393 9.991 ( 1.008 -0.673 2.862) 3.108 9.999 ( 0.315 -1.378 1.328) 1.940 10.014 ( 0.826 -5.201 0.301) 5.274 10.495 ( 4.111 23.389 1.829) 23.818 10.585 ( -4.722 6.722 -6.739) 10.625 10.699 ( -0.269 1.326 -1.021) 1.695 10.825 ( 0.134 4.538 0.305) 4.551 10.965 ( 3.364 -2.735 4.196) 6.034 11.108 ( 3.425 0.534 3.443) 4.886 11.150 ( -4.003 -11.379 -5.902) 13.429 11.284 ( -0.897 -15.283 -3.477) 15.700 11.361 ( -1.891 9.707 -5.280) 11.211 11.620 ( -0.076 -11.627 0.077) 11.628 12.293 ( 1.588 45.354 0.182) 45.382 12.584 ( -0.390 34.080 -0.223) 34.083 13.015 ( 0.440 -15.972 2.013) 16.105 13.146 ( 0.067 -16.419 -0.380) 16.424 13.406 ( -4.099 5.142 3.110) 7.274 13.480 ( -3.600 -1.943 0.292) 4.101 13.562 ( 0.822 5.503 -4.778) 7.334 13.704 ( 2.305 -1.611 -0.744) 2.909 14.219 ( 3.123 -11.196 -1.655) 11.740 14.279 ( 5.355 -15.506 -3.763) 16.830 14.622 ( -0.550 -1.283 6.437) 6.586 14.663 ( 0.427 -7.587 3.533) 8.380 15.593 ( 3.720 -9.552 5.863) 11.809 15.754 ( 6.967 -18.518 9.570) 21.978 15.916 ( 4.790 6.666 9.341) 12.435 16.041 ( -5.790 -0.188 -7.717) 9.650 16.171 ( -1.568 21.532 -2.295) 21.710 16.370 ( -5.275 -2.820 -6.799) 9.055 16.506 ( -1.621 -9.026 -3.432) 9.791 16.648 ( -4.875 -18.455 -6.183) 20.064 18.670 ( 1.526 22.753 0.175) 22.805 19.022 ( 1.701 -8.855 2.053) 9.247 19.238 ( -2.513 14.510 -0.348) 14.730 19.291 ( 0.023 4.622 1.857) 4.981 19.391 ( 0.484 6.951 -0.361) 6.977 19.600 ( 3.865 -10.791 3.709) 12.048 20.189 ( 1.970 6.122 -1.524) 6.609 20.304 ( 1.326 -4.811 -0.144) 4.992 20.590 ( -0.944 5.616 -1.808) 5.975 20.695 ( -1.676 -4.683 0.167) 4.977 21.770 ( -2.214 13.421 -1.803) 13.721 22.133 ( -2.826 -21.688 0.843) 21.888 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 2.373 3.606 7.170) 8.369 1.882 ( 6.969 -2.410 1.875) 7.609 2.014 ( -2.505 4.639 -2.612) 5.884 2.103 ( 3.475 -0.182 -2.609) 4.349 2.154 ( -0.062 7.750 -2.647) 8.190 2.326 ( 3.202 -3.677 2.723) 5.585 2.347 ( -7.663 7.820 -5.138) 12.095 2.468 ( -3.923 -5.266 -5.954) 8.864 2.513 ( -5.934 0.176 -7.541) 9.598 2.539 ( -6.492 -3.561 -7.121) 10.273 2.715 ( 1.629 0.321 0.113) 1.664 2.758 ( 1.810 -3.615 3.811) 5.556 2.956 ( -1.422 7.951 1.845) 8.285 3.021 ( 5.026 1.232 0.457) 5.195 3.092 ( -1.761 -1.749 3.001) 3.895 3.113 ( 3.438 -4.652 -3.104) 6.565 3.183 ( 1.069 0.625 5.200) 5.345 3.276 ( -1.119 -6.866 3.782) 7.919 3.458 ( -1.174 3.856 3.499) 5.338 3.574 ( -1.761 -5.037 0.577) 5.367 3.653 ( 2.322 9.469 4.477) 10.728 3.807 ( 0.891 -2.453 4.369) 5.089 3.907 ( -2.151 3.731 0.595) 4.348 4.007 ( -1.651 -4.761 -3.356) 6.055 4.306 ( 0.048 6.331 0.007) 6.332 4.395 ( 1.085 8.389 -2.055) 8.705 4.529 ( 1.290 -13.144 3.023) 13.548 4.570 ( -1.753 0.339 -1.403) 2.271 4.645 ( -0.870 16.598 -3.099) 16.907 4.938 ( -2.816 -6.054 1.274) 6.797 5.034 ( -0.669 9.844 -0.770) 9.897 5.222 ( -1.751 -4.249 -1.026) 4.709 5.274 ( -0.370 1.587 -1.646) 2.316 5.369 ( -9.298 -7.553 -3.536) 12.490 5.495 ( -6.655 2.704 -1.445) 7.327 5.616 ( -4.944 -9.993 -3.787) 11.774 5.804 ( 4.358 3.095 5.262) 7.500 5.891 ( 4.685 -4.029 8.445) 10.464 6.126 ( 1.242 3.194 -5.849) 6.779 6.231 ( 2.885 -5.490 -1.371) 6.352 6.552 ( 0.295 7.560 0.341) 7.574 6.652 ( -1.585 -0.737 -2.093) 2.727 6.808 ( -0.885 -1.174 -1.819) 2.339 6.852 ( 3.727 3.539 4.190) 6.631 6.891 ( -1.099 0.328 -1.871) 2.195 7.033 ( 3.724 -1.293 3.766) 5.452 7.106 ( -2.112 -3.065 -3.645) 5.210 7.125 ( -1.271 -1.213 -1.646) 2.407 7.348 ( 2.540 0.912 0.672) 2.781 7.360 ( 3.172 0.767 5.139) 6.088 7.481 ( 0.500 2.916 1.315) 3.237 7.522 ( 1.029 -0.137 2.254) 2.481 7.708 ( 2.758 0.632 -3.878) 4.801 7.742 ( 2.783 -2.413 -0.056) 3.684 8.011 ( -1.580 4.584 0.414) 4.866 8.055 ( -2.008 -0.229 0.137) 2.026 8.816 ( -3.209 7.026 -1.362) 7.844 9.004 ( -1.500 -10.125 0.101) 10.236 9.236 ( -4.624 6.961 -6.315) 10.475 9.314 ( -5.201 -1.153 -7.403) 9.121 9.472 ( 3.432 2.947 3.764) 5.885 9.613 ( 4.268 -9.578 5.355) 11.774 9.898 ( -3.902 2.938 -5.716) 7.519 9.941 ( -3.774 -0.866 -3.982) 5.554 10.020 ( 0.565 -1.728 1.636) 2.445 10.044 ( -0.239 -4.343 -0.562) 4.385 10.431 ( -1.931 12.999 -5.229) 14.144 10.628 ( -1.588 -4.837 -3.713) 6.302 10.802 ( 11.203 13.409 14.387) 22.634 10.836 ( 0.048 6.783 -1.080) 6.868 10.976 ( -1.896 -0.991 -6.782) 7.111 11.024 ( -2.668 -3.384 -3.114) 5.317 11.247 ( 6.910 -1.452 7.676) 10.430 11.379 ( 3.492 14.322 1.722) 14.841 11.444 ( 12.684 -18.449 13.135) 25.958 11.637 ( 3.065 -10.959 2.882) 11.739 12.329 ( 1.653 41.077 -2.379) 41.179 12.627 ( 5.072 31.514 6.474) 32.569 13.020 ( -1.053 -13.216 -0.302) 13.262 13.070 ( -5.457 -8.124 -6.562) 11.783 13.320 ( -4.010 -4.459 3.365) 6.877 13.403 ( -3.556 -6.243 1.782) 7.403 13.563 ( -0.591 10.805 -3.825) 11.477 13.759 ( 2.351 -3.700 0.200) 4.388 14.309 ( 5.826 -6.239 -7.687) 11.488 14.411 ( 7.151 -13.463 -7.176) 16.849 14.624 ( 0.199 -2.996 6.697) 7.339 14.707 ( 3.386 -8.069 4.491) 9.835 15.527 ( -9.046 -11.550 -11.292) 18.513 15.614 ( -16.870 -14.714 -19.950) 29.985 15.816 ( -10.772 9.306 -13.611) 19.695 16.061 ( 1.075 -9.908 2.038) 10.173 16.194 ( 5.567 15.340 10.518) 19.415 16.468 ( 4.329 -7.810 8.986) 12.668 16.491 ( 12.028 4.036 16.672) 20.950 16.765 ( 11.084 -15.646 15.844) 24.874 18.679 ( -0.446 21.808 -5.251) 22.436 19.005 ( -3.078 -6.122 -5.900) 9.043 19.099 ( -6.492 10.276 -6.359) 13.718 19.262 ( -3.366 -4.348 -0.851) 5.564 19.514 ( 8.219 12.783 7.755) 17.062 19.706 ( 4.521 -6.642 6.416) 10.282 20.257 ( 4.564 6.452 -3.053) 8.472 20.373 ( 5.841 -4.427 -2.780) 7.838 20.549 ( -3.156 5.888 -0.629) 6.710 20.662 ( -1.247 -4.679 1.737) 5.145 21.671 ( -6.887 11.174 -2.134) 13.298 21.998 ( -10.179 -20.690 -0.043) 23.059 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -4.506 11.003 6.783) 13.689 1.925 ( -5.076 1.344 -2.786) 5.945 1.944 ( -4.372 10.125 -8.040) 13.648 2.108 ( 0.843 -6.729 -2.807) 7.339 2.180 ( 1.538 -3.135 -3.799) 5.160 2.275 ( -5.405 -1.356 -5.451) 7.796 2.340 ( -0.399 -1.872 -9.361) 9.554 2.419 ( 5.232 -1.503 3.428) 6.433 2.445 ( -0.967 2.884 -4.232) 5.212 2.502 ( 1.965 -0.606 0.542) 2.127 2.795 ( 2.603 2.488 -0.740) 3.676 2.801 ( 0.875 1.447 0.916) 1.923 2.908 ( 2.519 1.531 5.681) 6.400 3.012 ( -4.045 -5.027 -0.402) 6.465 3.074 ( -3.106 0.357 1.012) 3.287 3.145 ( 1.930 -2.796 4.187) 5.392 3.180 ( -1.887 3.631 -0.401) 4.111 3.281 ( 0.165 -4.523 2.021) 4.957 3.387 ( -5.814 1.962 -3.380) 7.005 3.518 ( -3.426 -7.951 -4.268) 9.653 3.804 ( 10.320 5.854 15.035) 19.152 3.883 ( 2.822 -0.533 9.424) 9.852 3.895 ( 4.976 8.727 8.413) 13.104 4.010 ( 2.493 -2.771 -0.670) 3.787 4.302 ( -0.927 7.089 -0.557) 7.171 4.419 ( 1.025 5.569 -2.615) 6.238 4.519 ( -1.625 -10.856 2.231) 11.201 4.553 ( -0.217 -4.383 -3.374) 5.535 4.627 ( -0.567 15.169 -3.070) 15.487 4.877 ( -3.397 -4.750 -1.580) 6.050 4.996 ( -3.336 4.948 -4.722) 7.610 5.130 ( -4.921 -0.164 -0.712) 4.975 5.176 ( -5.869 -2.963 -4.187) 7.795 5.248 ( -3.751 -4.364 0.054) 5.755 5.442 ( 0.524 1.304 0.825) 1.630 5.552 ( -2.043 -8.434 -3.241) 9.264 5.845 ( -1.234 7.541 -1.548) 7.797 6.003 ( 3.392 -6.862 1.324) 7.768 6.124 ( 1.386 7.592 1.716) 7.906 6.288 ( 3.932 -6.108 1.475) 7.412 6.551 ( -1.406 4.368 -1.400) 4.798 6.647 ( -0.675 -3.189 -2.718) 4.245 6.813 ( 1.799 0.611 2.270) 2.961 6.847 ( -0.799 -0.005 0.026) 0.799 6.921 ( 1.943 9.566 0.459) 9.772 7.044 ( -0.633 1.649 0.271) 1.787 7.064 ( -2.869 -1.607 -0.784) 3.381 7.136 ( 1.782 -7.087 -2.425) 7.700 7.362 ( -1.111 1.501 0.768) 2.019 7.401 ( 0.042 -2.190 3.347) 4.000 7.508 ( 2.010 3.105 1.532) 4.003 7.534 ( 0.258 0.705 0.968) 1.225 7.763 ( 4.161 3.711 -0.438) 5.592 7.836 ( 4.627 -1.236 2.236) 5.286 7.993 ( -1.079 1.203 0.204) 1.629 8.016 ( -1.195 -0.967 -1.142) 1.915 8.755 ( -2.125 9.383 -1.121) 9.686 8.963 ( -2.774 -8.837 -2.466) 9.585 9.152 ( -2.860 2.027 -4.049) 5.356 9.223 ( -3.317 -3.992 -4.979) 7.193 9.536 ( 2.777 3.484 2.918) 5.326 9.672 ( 1.388 -8.823 1.924) 9.137 9.774 ( -7.009 4.979 -8.600) 12.160 9.851 ( -5.532 -2.326 -5.801) 8.346 10.027 ( 0.218 -2.460 1.249) 2.767 10.032 ( -0.004 -3.408 0.406) 3.432 10.443 ( 2.311 7.224 1.071) 7.660 10.609 ( 0.240 -8.057 -1.714) 8.240 10.776 ( -4.003 6.662 -5.311) 9.414 10.908 ( -3.565 -4.437 -3.252) 6.555 10.981 ( 3.066 7.263 2.081) 8.153 11.023 ( 2.268 2.454 1.794) 3.792 11.377 ( 3.824 6.184 2.691) 7.753 11.529 ( 2.712 -4.674 4.342) 6.932 11.647 ( 17.349 9.499 17.656) 26.514 11.830 ( 11.818 -0.338 13.064) 17.620 12.347 ( -0.020 33.578 -4.670) 33.901 12.810 ( 11.836 20.386 14.843) 27.857 12.874 ( -9.597 -9.389 -13.852) 19.291 13.046 ( 0.258 0.010 2.402) 2.416 13.244 ( -3.367 -6.382 0.751) 7.255 13.357 ( -0.096 -7.601 1.693) 7.788 13.546 ( -0.812 8.079 -2.609) 8.529 13.779 ( -0.895 -8.743 -1.472) 8.911 14.458 ( 7.770 -3.554 -10.833) 13.797 14.501 ( -1.147 -1.896 -4.425) 4.949 14.641 ( 3.340 -5.311 3.385) 7.129 14.791 ( 4.591 -14.397 0.821) 15.134 15.217 ( -19.056 -6.738 -19.218) 27.890 15.289 ( -13.211 -9.649 -12.319) 20.479 15.642 ( -5.117 -0.367 -6.794) 8.514 15.937 ( -8.898 -21.943 -11.875) 26.490 16.403 ( 11.564 16.035 19.100) 27.489 16.637 ( 8.898 -3.628 13.159) 16.294 16.758 ( 12.624 8.490 17.151) 22.926 17.004 ( 10.977 -12.211 15.228) 22.394 18.667 ( -0.277 17.093 -7.394) 18.626 18.912 ( -5.663 -4.113 -9.484) 11.787 18.994 ( -3.469 9.169 -3.841) 10.529 19.183 ( -4.543 -8.379 -4.234) 10.430 19.662 ( 5.985 10.459 6.279) 13.588 19.765 ( 1.677 -0.188 5.489) 5.743 20.366 ( 5.513 8.396 -5.225) 11.322 20.464 ( -3.875 9.579 4.297) 11.191 20.528 ( 6.404 -7.494 -6.765) 11.955 20.654 ( 0.967 -8.394 3.673) 9.213 21.526 ( -5.885 6.296 -0.590) 8.638 21.741 ( -13.693 -15.339 1.063) 20.589 =================== 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 3/26460 10.0 269.668 262.312 268.756 0.000 30.411 0.000 3/26460 20.0 31.215 38.597 28.449 0.000 3.887 0.000 3/26460 30.0 11.793 15.735 10.589 0.000 1.575 0.000 3/26460 40.0 6.690 9.233 6.033 0.000 0.971 0.000 3/26460 50.0 4.556 6.430 4.151 0.000 0.717 0.000 3/26460 60.0 3.434 4.931 3.166 0.000 0.582 0.000 3/26460 70.0 2.759 4.022 2.577 0.000 0.503 0.000 3/26460 80.0 2.318 3.427 2.195 0.000 0.455 0.000 3/26460 90.0 2.010 3.015 1.934 0.000 0.427 0.000 3/26460 100.0 1.787 2.720 1.747 0.000 0.410 0.000 3/26460 110.0 1.618 2.501 1.609 0.000 0.401 0.000 3/26460 120.0 1.486 2.333 1.503 0.000 0.395 0.000 3/26460 130.0 1.381 2.201 1.419 0.000 0.392 0.000 3/26460 140.0 1.294 2.094 1.351 0.000 0.390 0.000 3/26460 150.0 1.222 2.005 1.293 0.000 0.387 0.000 3/26460 160.0 1.160 1.929 1.243 0.000 0.384 0.000 3/26460 170.0 1.106 1.862 1.200 0.000 0.381 0.000 3/26460 180.0 1.059 1.803 1.160 0.000 0.377 0.000 3/26460 190.0 1.017 1.749 1.124 0.000 0.373 0.000 3/26460 200.0 0.979 1.700 1.091 0.000 0.368 0.000 3/26460 210.0 0.945 1.654 1.061 0.000 0.363 0.000 3/26460 220.0 0.913 1.611 1.032 0.000 0.357 0.000 3/26460 230.0 0.884 1.570 1.005 0.000 0.351 0.000 3/26460 240.0 0.857 1.532 0.979 0.000 0.345 0.000 3/26460 250.0 0.832 1.495 0.955 0.000 0.339 0.000 3/26460 260.0 0.809 1.460 0.931 0.000 0.333 0.000 3/26460 270.0 0.787 1.427 0.909 0.000 0.327 0.000 3/26460 280.0 0.766 1.395 0.888 0.000 0.320 0.000 3/26460 290.0 0.746 1.364 0.867 0.000 0.314 0.000 3/26460 300.0 0.728 1.334 0.848 0.000 0.308 0.000 3/26460 310.0 0.710 1.306 0.829 0.000 0.302 0.000 3/26460 320.0 0.693 1.278 0.811 0.000 0.296 0.000 3/26460 330.0 0.677 1.251 0.793 0.000 0.290 0.000 3/26460 340.0 0.662 1.226 0.776 0.000 0.285 0.000 3/26460 350.0 0.647 1.201 0.760 0.000 0.279 0.000 3/26460 360.0 0.633 1.177 0.745 0.000 0.274 0.000 3/26460 370.0 0.619 1.153 0.729 0.000 0.269 0.000 3/26460 380.0 0.606 1.131 0.715 0.000 0.264 0.000 3/26460 390.0 0.594 1.109 0.701 0.000 0.259 0.000 3/26460 400.0 0.582 1.088 0.687 0.000 0.254 0.000 3/26460 410.0 0.570 1.068 0.674 0.000 0.249 0.000 3/26460 420.0 0.559 1.048 0.662 0.000 0.244 0.000 3/26460 430.0 0.548 1.029 0.649 0.000 0.240 0.000 3/26460 440.0 0.538 1.011 0.637 0.000 0.236 0.000 3/26460 450.0 0.528 0.993 0.626 0.000 0.232 0.000 3/26460 460.0 0.519 0.976 0.615 0.000 0.228 0.000 3/26460 470.0 0.509 0.959 0.604 0.000 0.224 0.000 3/26460 480.0 0.500 0.943 0.594 0.000 0.220 0.000 3/26460 490.0 0.492 0.927 0.584 0.000 0.216 0.000 3/26460 500.0 0.483 0.912 0.574 0.000 0.213 0.000 3/26460 510.0 0.475 0.897 0.564 0.000 0.209 0.000 3/26460 520.0 0.467 0.882 0.555 0.000 0.206 0.000 3/26460 530.0 0.459 0.868 0.546 0.000 0.202 0.000 3/26460 540.0 0.452 0.855 0.538 0.000 0.199 0.000 3/26460 550.0 0.445 0.841 0.529 0.000 0.196 0.000 3/26460 560.0 0.438 0.828 0.521 0.000 0.193 0.000 3/26460 570.0 0.431 0.816 0.513 0.000 0.190 0.000 3/26460 580.0 0.424 0.804 0.505 0.000 0.187 0.000 3/26460 590.0 0.418 0.792 0.498 0.000 0.184 0.000 3/26460 600.0 0.412 0.780 0.490 0.000 0.182 0.000 3/26460 610.0 0.406 0.769 0.483 0.000 0.179 0.000 3/26460 620.0 0.400 0.758 0.476 0.000 0.177 0.000 3/26460 630.0 0.394 0.748 0.470 0.000 0.174 0.000 3/26460 640.0 0.389 0.737 0.463 0.000 0.172 0.000 3/26460 650.0 0.383 0.727 0.457 0.000 0.169 0.000 3/26460 660.0 0.378 0.717 0.451 0.000 0.167 0.000 3/26460 670.0 0.373 0.708 0.444 0.000 0.165 0.000 3/26460 680.0 0.368 0.699 0.439 0.000 0.162 0.000 3/26460 690.0 0.363 0.689 0.433 0.000 0.160 0.000 3/26460 700.0 0.358 0.681 0.427 0.000 0.158 0.000 3/26460 710.0 0.354 0.672 0.422 0.000 0.156 0.000 3/26460 720.0 0.349 0.663 0.416 0.000 0.154 0.000 3/26460 730.0 0.345 0.655 0.411 0.000 0.152 0.000 3/26460 740.0 0.340 0.647 0.406 0.000 0.150 0.000 3/26460 750.0 0.336 0.639 0.401 0.000 0.149 0.000 3/26460 760.0 0.332 0.631 0.396 0.000 0.147 0.000 3/26460 770.0 0.328 0.624 0.391 0.000 0.145 0.000 3/26460 780.0 0.324 0.617 0.387 0.000 0.143 0.000 3/26460 790.0 0.320 0.609 0.382 0.000 0.142 0.000 3/26460 800.0 0.316 0.602 0.378 0.000 0.140 0.000 3/26460 810.0 0.313 0.595 0.373 0.000 0.138 0.000 3/26460 820.0 0.309 0.589 0.369 0.000 0.137 0.000 3/26460 830.0 0.306 0.582 0.365 0.000 0.135 0.000 3/26460 840.0 0.302 0.576 0.361 0.000 0.134 0.000 3/26460 850.0 0.299 0.569 0.357 0.000 0.132 0.000 3/26460 860.0 0.296 0.563 0.353 0.000 0.131 0.000 3/26460 870.0 0.293 0.557 0.349 0.000 0.129 0.000 3/26460 880.0 0.289 0.551 0.346 0.000 0.128 0.000 3/26460 890.0 0.286 0.545 0.342 0.000 0.127 0.000 3/26460 900.0 0.283 0.540 0.338 0.000 0.125 0.000 3/26460 910.0 0.280 0.534 0.335 0.000 0.124 0.000 3/26460 920.0 0.277 0.529 0.331 0.000 0.123 0.000 3/26460 930.0 0.275 0.523 0.328 0.000 0.121 0.000 3/26460 940.0 0.272 0.518 0.325 0.000 0.120 0.000 3/26460 950.0 0.269 0.513 0.322 0.000 0.119 0.000 3/26460 960.0 0.266 0.508 0.318 0.000 0.118 0.000 3/26460 970.0 0.264 0.503 0.315 0.000 0.117 0.000 3/26460 980.0 0.261 0.498 0.312 0.000 0.115 0.000 3/26460 990.0 0.259 0.493 0.309 0.000 0.114 0.000 3/26460 1000.0 0.256 0.489 0.306 0.000 0.113 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:47:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|