----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:23:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.646971820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646971820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.170437060000000 Atomic positions (fractional): *1 O 0.00000000000000 0.21661052053280 0.69542022433840 15.999 2 O 0.00000000000000 0.78338947946720 0.69542022433840 15.999 3 O 0.71661052053280 0.50000000000000 0.69542022433840 15.999 4 O 0.28338947946720 0.50000000000000 0.69542022433840 15.999 5 O 0.21661052053280 0.00000000000000 0.30457977566160 15.999 6 O 0.50000000000000 0.71661052053280 0.30457977566160 15.999 7 O 0.50000000000000 0.28338947946720 0.30457977566160 15.999 8 O 0.78338947946720 0.00000000000000 0.30457977566160 15.999 *9 O 0.50000000000000 0.00000000000000 0.75858655750349 15.999 10 O 0.00000000000000 0.50000000000000 0.24141344249651 15.999 *11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 14 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 *15 Ti 0.00000000000000 0.50000000000000 0.57278372777101 47.867 16 Ti 0.50000000000000 0.00000000000000 0.42721627222899 47.867 *17 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 18 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.646971820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646971820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.170437060000000 Atomic positions (fractional): *1 O 0.00000000000000 0.21661052053280 0.69542022433840 15.999 > 1 2 O 0.00000000000000 0.78338947946720 0.69542022433840 15.999 > 2 3 O 0.71661052053280 0.50000000000000 0.69542022433840 15.999 > 3 4 O 0.28338947946720 0.50000000000000 0.69542022433840 15.999 > 4 5 O 0.21661052053280 0.00000000000000 0.30457977566160 15.999 > 5 6 O 0.50000000000000 0.71661052053280 0.30457977566160 15.999 > 6 7 O 0.50000000000000 0.28338947946720 0.30457977566160 15.999 > 7 8 O 0.78338947946720 0.00000000000000 0.30457977566160 15.999 > 8 *9 O 0.50000000000000 0.00000000000000 0.75858655750349 15.999 > 9 10 O 0.00000000000000 0.50000000000000 0.24141344249651 15.999 > 10 *11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 11 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 12 13 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 13 14 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 14 *15 Ti 0.00000000000000 0.50000000000000 0.57278372777101 47.867 > 15 16 Ti 0.50000000000000 0.00000000000000 0.42721627222899 47.867 > 16 *17 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 17 18 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.293943640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.293943640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.340874120000001 Atomic positions (fractional): *1 O 0.00000000000000 0.10830526026640 0.34771011216920 15.999 > 1 2 O 0.50000000000000 0.10830526026640 0.34771011216920 15.999 > 1 3 O 0.00000000000000 0.60830526026640 0.34771011216920 15.999 > 1 4 O 0.50000000000000 0.60830526026640 0.34771011216920 15.999 > 1 5 O 0.00000000000000 0.10830526026640 0.84771011216920 15.999 > 1 6 O 0.50000000000000 0.10830526026640 0.84771011216920 15.999 > 1 7 O 0.00000000000000 0.60830526026640 0.84771011216920 15.999 > 1 8 O 0.50000000000000 0.60830526026640 0.84771011216920 15.999 > 1 9 O 0.00000000000000 0.39169473973360 0.34771011216920 15.999 > 2 10 O 0.50000000000000 0.39169473973360 0.34771011216920 15.999 > 2 11 O 0.00000000000000 0.89169473973360 0.34771011216920 15.999 > 2 12 O 0.50000000000000 0.89169473973360 0.34771011216920 15.999 > 2 13 O 0.00000000000000 0.39169473973360 0.84771011216920 15.999 > 2 14 O 0.50000000000000 0.39169473973360 0.84771011216920 15.999 > 2 15 O 0.00000000000000 0.89169473973360 0.84771011216920 15.999 > 2 16 O 0.50000000000000 0.89169473973360 0.84771011216920 15.999 > 2 17 O 0.35830526026640 0.25000000000000 0.34771011216920 15.999 > 3 18 O 0.85830526026640 0.25000000000000 0.34771011216920 15.999 > 3 19 O 0.35830526026640 0.75000000000000 0.34771011216920 15.999 > 3 20 O 0.85830526026640 0.75000000000000 0.34771011216920 15.999 > 3 21 O 0.35830526026640 0.25000000000000 0.84771011216920 15.999 > 3 22 O 0.85830526026640 0.25000000000000 0.84771011216920 15.999 > 3 23 O 0.35830526026640 0.75000000000000 0.84771011216920 15.999 > 3 24 O 0.85830526026640 0.75000000000000 0.84771011216920 15.999 > 3 25 O 0.14169473973360 0.25000000000000 0.34771011216920 15.999 > 4 26 O 0.64169473973360 0.25000000000000 0.34771011216920 15.999 > 4 27 O 0.14169473973360 0.75000000000000 0.34771011216920 15.999 > 4 28 O 0.64169473973360 0.75000000000000 0.34771011216920 15.999 > 4 29 O 0.14169473973360 0.25000000000000 0.84771011216920 15.999 > 4 30 O 0.64169473973360 0.25000000000000 0.84771011216920 15.999 > 4 31 O 0.14169473973360 0.75000000000000 0.84771011216920 15.999 > 4 32 O 0.64169473973360 0.75000000000000 0.84771011216920 15.999 > 4 33 O 0.10830526026640 0.00000000000000 0.15228988783080 15.999 > 5 34 O 0.60830526026640 0.00000000000000 0.15228988783080 15.999 > 5 35 O 0.10830526026640 0.50000000000000 0.15228988783080 15.999 > 5 36 O 0.60830526026640 0.50000000000000 0.15228988783080 15.999 > 5 37 O 0.10830526026640 0.00000000000000 0.65228988783080 15.999 > 5 38 O 0.60830526026640 0.00000000000000 0.65228988783080 15.999 > 5 39 O 0.10830526026640 0.50000000000000 0.65228988783080 15.999 > 5 40 O 0.60830526026640 0.50000000000000 0.65228988783080 15.999 > 5 41 O 0.25000000000000 0.35830526026640 0.15228988783080 15.999 > 6 42 O 0.75000000000000 0.35830526026640 0.15228988783080 15.999 > 6 43 O 0.25000000000000 0.85830526026640 0.15228988783080 15.999 > 6 44 O 0.75000000000000 0.85830526026640 0.15228988783080 15.999 > 6 45 O 0.25000000000000 0.35830526026640 0.65228988783080 15.999 > 6 46 O 0.75000000000000 0.35830526026640 0.65228988783080 15.999 > 6 47 O 0.25000000000000 0.85830526026640 0.65228988783080 15.999 > 6 48 O 0.75000000000000 0.85830526026640 0.65228988783080 15.999 > 6 49 O 0.25000000000000 0.14169473973360 0.15228988783080 15.999 > 7 50 O 0.75000000000000 0.14169473973360 0.15228988783080 15.999 > 7 51 O 0.25000000000000 0.64169473973360 0.15228988783080 15.999 > 7 52 O 0.75000000000000 0.64169473973360 0.15228988783080 15.999 > 7 53 O 0.25000000000000 0.14169473973360 0.65228988783080 15.999 > 7 54 O 0.75000000000000 0.14169473973360 0.65228988783080 15.999 > 7 55 O 0.25000000000000 0.64169473973360 0.65228988783080 15.999 > 7 56 O 0.75000000000000 0.64169473973360 0.65228988783080 15.999 > 7 57 O 0.39169473973360 0.00000000000000 0.15228988783080 15.999 > 8 58 O 0.89169473973360 0.00000000000000 0.15228988783080 15.999 > 8 59 O 0.39169473973360 0.50000000000000 0.15228988783080 15.999 > 8 60 O 0.89169473973360 0.50000000000000 0.15228988783080 15.999 > 8 61 O 0.39169473973360 0.00000000000000 0.65228988783080 15.999 > 8 62 O 0.89169473973360 0.00000000000000 0.65228988783080 15.999 > 8 63 O 0.39169473973360 0.50000000000000 0.65228988783080 15.999 > 8 64 O 0.89169473973360 0.50000000000000 0.65228988783080 15.999 > 8 *65 O 0.25000000000000 0.00000000000000 0.37929327875174 15.999 > 9 66 O 0.75000000000000 0.00000000000000 0.37929327875174 15.999 > 9 67 O 0.25000000000000 0.50000000000000 0.37929327875174 15.999 > 9 68 O 0.75000000000000 0.50000000000000 0.37929327875174 15.999 > 9 69 O 0.25000000000000 0.00000000000000 0.87929327875174 15.999 > 9 70 O 0.75000000000000 0.00000000000000 0.87929327875174 15.999 > 9 71 O 0.25000000000000 0.50000000000000 0.87929327875174 15.999 > 9 72 O 0.75000000000000 0.50000000000000 0.87929327875174 15.999 > 9 73 O 0.00000000000000 0.25000000000000 0.12070672124826 15.999 > 10 74 O 0.50000000000000 0.25000000000000 0.12070672124826 15.999 > 10 75 O 0.00000000000000 0.75000000000000 0.12070672124826 15.999 > 10 76 O 0.50000000000000 0.75000000000000 0.12070672124826 15.999 > 10 77 O 0.00000000000000 0.25000000000000 0.62070672124826 15.999 > 10 78 O 0.50000000000000 0.25000000000000 0.62070672124826 15.999 > 10 79 O 0.00000000000000 0.75000000000000 0.62070672124826 15.999 > 10 80 O 0.50000000000000 0.75000000000000 0.62070672124826 15.999 > 10 *81 Na 0.12500000000000 0.37500000000000 0.00000000000000 22.990 > 11 82 Na 0.62500000000000 0.37500000000000 0.00000000000000 22.990 > 11 83 Na 0.12500000000000 0.87500000000000 0.00000000000000 22.990 > 11 84 Na 0.62500000000000 0.87500000000000 0.00000000000000 22.990 > 11 85 Na 0.12500000000000 0.37500000000000 0.50000000000000 22.990 > 11 86 Na 0.62500000000000 0.37500000000000 0.50000000000000 22.990 > 11 87 Na 0.12500000000000 0.87500000000000 0.50000000000000 22.990 > 11 88 Na 0.62500000000000 0.87500000000000 0.50000000000000 22.990 > 11 89 Na 0.37500000000000 0.37500000000000 0.00000000000000 22.990 > 12 90 Na 0.87500000000000 0.37500000000000 0.00000000000000 22.990 > 12 91 Na 0.37500000000000 0.87500000000000 0.00000000000000 22.990 > 12 92 Na 0.87500000000000 0.87500000000000 0.00000000000000 22.990 > 12 93 Na 0.37500000000000 0.37500000000000 0.50000000000000 22.990 > 12 94 Na 0.87500000000000 0.37500000000000 0.50000000000000 22.990 > 12 95 Na 0.37500000000000 0.87500000000000 0.50000000000000 22.990 > 12 96 Na 0.87500000000000 0.87500000000000 0.50000000000000 22.990 > 12 97 Na 0.37500000000000 0.12500000000000 0.00000000000000 22.990 > 13 98 Na 0.87500000000000 0.12500000000000 0.00000000000000 22.990 > 13 99 Na 0.37500000000000 0.62500000000000 0.00000000000000 22.990 > 13 100 Na 0.87500000000000 0.62500000000000 0.00000000000000 22.990 > 13 101 Na 0.37500000000000 0.12500000000000 0.50000000000000 22.990 > 13 102 Na 0.87500000000000 0.12500000000000 0.50000000000000 22.990 > 13 103 Na 0.37500000000000 0.62500000000000 0.50000000000000 22.990 > 13 104 Na 0.87500000000000 0.62500000000000 0.50000000000000 22.990 > 13 105 Na 0.12500000000000 0.12500000000000 0.00000000000000 22.990 > 14 106 Na 0.62500000000000 0.12500000000000 0.00000000000000 22.990 > 14 107 Na 0.12500000000000 0.62500000000000 0.00000000000000 22.990 > 14 108 Na 0.62500000000000 0.62500000000000 0.00000000000000 22.990 > 14 109 Na 0.12500000000000 0.12500000000000 0.50000000000000 22.990 > 14 110 Na 0.62500000000000 0.12500000000000 0.50000000000000 22.990 > 14 111 Na 0.12500000000000 0.62500000000000 0.50000000000000 22.990 > 14 112 Na 0.62500000000000 0.62500000000000 0.50000000000000 22.990 > 14 *113 Ti 0.00000000000000 0.25000000000000 0.28639186388550 47.867 > 15 114 Ti 0.50000000000000 0.25000000000000 0.28639186388550 47.867 > 15 115 Ti 0.00000000000000 0.75000000000000 0.28639186388550 47.867 > 15 116 Ti 0.50000000000000 0.75000000000000 0.28639186388550 47.867 > 15 117 Ti 0.00000000000000 0.25000000000000 0.78639186388550 47.867 > 15 118 Ti 0.50000000000000 0.25000000000000 0.78639186388550 47.867 > 15 119 Ti 0.00000000000000 0.75000000000000 0.78639186388550 47.867 > 15 120 Ti 0.50000000000000 0.75000000000000 0.78639186388550 47.867 > 15 121 Ti 0.25000000000000 0.00000000000000 0.21360813611450 47.867 > 16 122 Ti 0.75000000000000 0.00000000000000 0.21360813611450 47.867 > 16 123 Ti 0.25000000000000 0.50000000000000 0.21360813611450 47.867 > 16 124 Ti 0.75000000000000 0.50000000000000 0.21360813611450 47.867 > 16 125 Ti 0.25000000000000 0.00000000000000 0.71360813611450 47.867 > 16 126 Ti 0.75000000000000 0.00000000000000 0.71360813611450 47.867 > 16 127 Ti 0.25000000000000 0.50000000000000 0.71360813611450 47.867 > 16 128 Ti 0.75000000000000 0.50000000000000 0.71360813611450 47.867 > 16 *129 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 > 17 130 Ge 0.75000000000000 0.25000000000000 0.25000000000000 72.640 > 17 131 Ge 0.25000000000000 0.75000000000000 0.25000000000000 72.640 > 17 132 Ge 0.75000000000000 0.75000000000000 0.25000000000000 72.640 > 17 133 Ge 0.25000000000000 0.25000000000000 0.75000000000000 72.640 > 17 134 Ge 0.75000000000000 0.25000000000000 0.75000000000000 72.640 > 17 135 Ge 0.25000000000000 0.75000000000000 0.75000000000000 72.640 > 17 136 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 > 17 137 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 18 138 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 18 139 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 18 140 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 18 141 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 18 142 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 18 143 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 18 144 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5956788 0.0000000 0.0000000 0.0000000 3.5956788 0.0000000 0.0000000 0.0000000 2.9409835 -------------------------- Born effective charges -------------------------- 1 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 2 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 3 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 4 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 5 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 6 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 7 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 8 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 9 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 10 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 11 Na 0.9726308 0.0597611 0.0262459 0.0597611 0.9726308 0.0262459 -0.0363474 -0.0363474 1.3802560 12 Na 0.9726308 -0.0597611 -0.0262459 -0.0597611 0.9726308 0.0262459 0.0363474 -0.0363474 1.3802560 13 Na 0.9726308 0.0597611 -0.0262459 0.0597611 0.9726308 -0.0262459 0.0363474 0.0363474 1.3802560 14 Na 0.9726308 -0.0597611 0.0262459 -0.0597611 0.9726308 -0.0262459 -0.0363474 0.0363474 1.3802560 15 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 16 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 17 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 18 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 872 Number of blocks in projector: 876 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (872, 856), data: False |-- (134, 133), data: True |-- (156, 151), data: True |-- (264, 258), data: True |-- (318, 314), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 160 - Time: 1.145 Solver_block: 160 / 160 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.911 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 872 Number of blocks in projector: 876 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (872, 856), data: False |-- (134, 133), data: True |-- (156, 151), data: True |-- (264, 258), data: True |-- (318, 314), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-07 21:23:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:23:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.646971820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646971820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.170437060000000 Atomic positions (fractional): 1 O 0.00000000000000 0.21661052053280 0.69542022433840 15.999 2 O 0.00000000000000 0.78338947946720 0.69542022433840 15.999 3 O 0.71661052053280 0.50000000000000 0.69542022433840 15.999 4 O 0.28338947946720 0.50000000000000 0.69542022433840 15.999 5 O 0.21661052053280 0.00000000000000 0.30457977566160 15.999 6 O 0.50000000000000 0.71661052053280 0.30457977566160 15.999 7 O 0.50000000000000 0.28338947946720 0.30457977566160 15.999 8 O 0.78338947946720 0.00000000000000 0.30457977566160 15.999 9 O 0.50000000000000 0.00000000000000 0.75858655750349 15.999 10 O 0.00000000000000 0.50000000000000 0.24141344249651 15.999 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 14 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 15 Ti 0.00000000000000 0.50000000000000 0.57278372777101 47.867 16 Ti 0.50000000000000 0.00000000000000 0.42721627222899 47.867 17 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 18 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.293943640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.293943640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.340874120000001 Atomic positions (fractional): 1 O 0.00000000000000 0.10830526026640 0.34771011216920 15.999 > 1 2 O 0.50000000000000 0.10830526026640 0.34771011216920 15.999 > 1 3 O 0.00000000000000 0.60830526026640 0.34771011216920 15.999 > 1 4 O 0.50000000000000 0.60830526026640 0.34771011216920 15.999 > 1 5 O 0.00000000000000 0.10830526026640 0.84771011216920 15.999 > 1 6 O 0.50000000000000 0.10830526026640 0.84771011216920 15.999 > 1 7 O 0.00000000000000 0.60830526026640 0.84771011216920 15.999 > 1 8 O 0.50000000000000 0.60830526026640 0.84771011216920 15.999 > 1 9 O 0.00000000000000 0.39169473973360 0.34771011216920 15.999 > 9 10 O 0.50000000000000 0.39169473973360 0.34771011216920 15.999 > 9 11 O 0.00000000000000 0.89169473973360 0.34771011216920 15.999 > 9 12 O 0.50000000000000 0.89169473973360 0.34771011216920 15.999 > 9 13 O 0.00000000000000 0.39169473973360 0.84771011216920 15.999 > 9 14 O 0.50000000000000 0.39169473973360 0.84771011216920 15.999 > 9 15 O 0.00000000000000 0.89169473973360 0.84771011216920 15.999 > 9 16 O 0.50000000000000 0.89169473973360 0.84771011216920 15.999 > 9 17 O 0.35830526026640 0.25000000000000 0.34771011216920 15.999 > 17 18 O 0.85830526026640 0.25000000000000 0.34771011216920 15.999 > 17 19 O 0.35830526026640 0.75000000000000 0.34771011216920 15.999 > 17 20 O 0.85830526026640 0.75000000000000 0.34771011216920 15.999 > 17 21 O 0.35830526026640 0.25000000000000 0.84771011216920 15.999 > 17 22 O 0.85830526026640 0.25000000000000 0.84771011216920 15.999 > 17 23 O 0.35830526026640 0.75000000000000 0.84771011216920 15.999 > 17 24 O 0.85830526026640 0.75000000000000 0.84771011216920 15.999 > 17 25 O 0.14169473973360 0.25000000000000 0.34771011216920 15.999 > 25 26 O 0.64169473973360 0.25000000000000 0.34771011216920 15.999 > 25 27 O 0.14169473973360 0.75000000000000 0.34771011216920 15.999 > 25 28 O 0.64169473973360 0.75000000000000 0.34771011216920 15.999 > 25 29 O 0.14169473973360 0.25000000000000 0.84771011216920 15.999 > 25 30 O 0.64169473973360 0.25000000000000 0.84771011216920 15.999 > 25 31 O 0.14169473973360 0.75000000000000 0.84771011216920 15.999 > 25 32 O 0.64169473973360 0.75000000000000 0.84771011216920 15.999 > 25 33 O 0.10830526026640 0.00000000000000 0.15228988783080 15.999 > 33 34 O 0.60830526026640 0.00000000000000 0.15228988783080 15.999 > 33 35 O 0.10830526026640 0.50000000000000 0.15228988783080 15.999 > 33 36 O 0.60830526026640 0.50000000000000 0.15228988783080 15.999 > 33 37 O 0.10830526026640 0.00000000000000 0.65228988783080 15.999 > 33 38 O 0.60830526026640 0.00000000000000 0.65228988783080 15.999 > 33 39 O 0.10830526026640 0.50000000000000 0.65228988783080 15.999 > 33 40 O 0.60830526026640 0.50000000000000 0.65228988783080 15.999 > 33 41 O 0.25000000000000 0.35830526026640 0.15228988783080 15.999 > 41 42 O 0.75000000000000 0.35830526026640 0.15228988783080 15.999 > 41 43 O 0.25000000000000 0.85830526026640 0.15228988783080 15.999 > 41 44 O 0.75000000000000 0.85830526026640 0.15228988783080 15.999 > 41 45 O 0.25000000000000 0.35830526026640 0.65228988783080 15.999 > 41 46 O 0.75000000000000 0.35830526026640 0.65228988783080 15.999 > 41 47 O 0.25000000000000 0.85830526026640 0.65228988783080 15.999 > 41 48 O 0.75000000000000 0.85830526026640 0.65228988783080 15.999 > 41 49 O 0.25000000000000 0.14169473973360 0.15228988783080 15.999 > 49 50 O 0.75000000000000 0.14169473973360 0.15228988783080 15.999 > 49 51 O 0.25000000000000 0.64169473973360 0.15228988783080 15.999 > 49 52 O 0.75000000000000 0.64169473973360 0.15228988783080 15.999 > 49 53 O 0.25000000000000 0.14169473973360 0.65228988783080 15.999 > 49 54 O 0.75000000000000 0.14169473973360 0.65228988783080 15.999 > 49 55 O 0.25000000000000 0.64169473973360 0.65228988783080 15.999 > 49 56 O 0.75000000000000 0.64169473973360 0.65228988783080 15.999 > 49 57 O 0.39169473973360 0.00000000000000 0.15228988783080 15.999 > 57 58 O 0.89169473973360 0.00000000000000 0.15228988783080 15.999 > 57 59 O 0.39169473973360 0.50000000000000 0.15228988783080 15.999 > 57 60 O 0.89169473973360 0.50000000000000 0.15228988783080 15.999 > 57 61 O 0.39169473973360 0.00000000000000 0.65228988783080 15.999 > 57 62 O 0.89169473973360 0.00000000000000 0.65228988783080 15.999 > 57 63 O 0.39169473973360 0.50000000000000 0.65228988783080 15.999 > 57 64 O 0.89169473973360 0.50000000000000 0.65228988783080 15.999 > 57 65 O 0.25000000000000 0.00000000000000 0.37929327875174 15.999 > 65 66 O 0.75000000000000 0.00000000000000 0.37929327875174 15.999 > 65 67 O 0.25000000000000 0.50000000000000 0.37929327875174 15.999 > 65 68 O 0.75000000000000 0.50000000000000 0.37929327875174 15.999 > 65 69 O 0.25000000000000 0.00000000000000 0.87929327875174 15.999 > 65 70 O 0.75000000000000 0.00000000000000 0.87929327875174 15.999 > 65 71 O 0.25000000000000 0.50000000000000 0.87929327875174 15.999 > 65 72 O 0.75000000000000 0.50000000000000 0.87929327875174 15.999 > 65 73 O 0.00000000000000 0.25000000000000 0.12070672124826 15.999 > 73 74 O 0.50000000000000 0.25000000000000 0.12070672124826 15.999 > 73 75 O 0.00000000000000 0.75000000000000 0.12070672124826 15.999 > 73 76 O 0.50000000000000 0.75000000000000 0.12070672124826 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.62070672124826 15.999 > 73 78 O 0.50000000000000 0.25000000000000 0.62070672124826 15.999 > 73 79 O 0.00000000000000 0.75000000000000 0.62070672124826 15.999 > 73 80 O 0.50000000000000 0.75000000000000 0.62070672124826 15.999 > 73 81 Na 0.12500000000000 0.37500000000000 0.00000000000000 22.990 > 81 82 Na 0.62500000000000 0.37500000000000 0.00000000000000 22.990 > 81 83 Na 0.12500000000000 0.87500000000000 0.00000000000000 22.990 > 81 84 Na 0.62500000000000 0.87500000000000 0.00000000000000 22.990 > 81 85 Na 0.12500000000000 0.37500000000000 0.50000000000000 22.990 > 81 86 Na 0.62500000000000 0.37500000000000 0.50000000000000 22.990 > 81 87 Na 0.12500000000000 0.87500000000000 0.50000000000000 22.990 > 81 88 Na 0.62500000000000 0.87500000000000 0.50000000000000 22.990 > 81 89 Na 0.37500000000000 0.37500000000000 0.00000000000000 22.990 > 89 90 Na 0.87500000000000 0.37500000000000 0.00000000000000 22.990 > 89 91 Na 0.37500000000000 0.87500000000000 0.00000000000000 22.990 > 89 92 Na 0.87500000000000 0.87500000000000 0.00000000000000 22.990 > 89 93 Na 0.37500000000000 0.37500000000000 0.50000000000000 22.990 > 89 94 Na 0.87500000000000 0.37500000000000 0.50000000000000 22.990 > 89 95 Na 0.37500000000000 0.87500000000000 0.50000000000000 22.990 > 89 96 Na 0.87500000000000 0.87500000000000 0.50000000000000 22.990 > 89 97 Na 0.37500000000000 0.12500000000000 0.00000000000000 22.990 > 97 98 Na 0.87500000000000 0.12500000000000 0.00000000000000 22.990 > 97 99 Na 0.37500000000000 0.62500000000000 0.00000000000000 22.990 > 97 100 Na 0.87500000000000 0.62500000000000 0.00000000000000 22.990 > 97 101 Na 0.37500000000000 0.12500000000000 0.50000000000000 22.990 > 97 102 Na 0.87500000000000 0.12500000000000 0.50000000000000 22.990 > 97 103 Na 0.37500000000000 0.62500000000000 0.50000000000000 22.990 > 97 104 Na 0.87500000000000 0.62500000000000 0.50000000000000 22.990 > 97 105 Na 0.12500000000000 0.12500000000000 0.00000000000000 22.990 > 105 106 Na 0.62500000000000 0.12500000000000 0.00000000000000 22.990 > 105 107 Na 0.12500000000000 0.62500000000000 0.00000000000000 22.990 > 105 108 Na 0.62500000000000 0.62500000000000 0.00000000000000 22.990 > 105 109 Na 0.12500000000000 0.12500000000000 0.50000000000000 22.990 > 105 110 Na 0.62500000000000 0.12500000000000 0.50000000000000 22.990 > 105 111 Na 0.12500000000000 0.62500000000000 0.50000000000000 22.990 > 105 112 Na 0.62500000000000 0.62500000000000 0.50000000000000 22.990 > 105 113 Ti 0.00000000000000 0.25000000000000 0.28639186388550 47.867 > 113 114 Ti 0.50000000000000 0.25000000000000 0.28639186388550 47.867 > 113 115 Ti 0.00000000000000 0.75000000000000 0.28639186388550 47.867 > 113 116 Ti 0.50000000000000 0.75000000000000 0.28639186388550 47.867 > 113 117 Ti 0.00000000000000 0.25000000000000 0.78639186388550 47.867 > 113 118 Ti 0.50000000000000 0.25000000000000 0.78639186388550 47.867 > 113 119 Ti 0.00000000000000 0.75000000000000 0.78639186388550 47.867 > 113 120 Ti 0.50000000000000 0.75000000000000 0.78639186388550 47.867 > 113 121 Ti 0.25000000000000 0.00000000000000 0.21360813611450 47.867 > 121 122 Ti 0.75000000000000 0.00000000000000 0.21360813611450 47.867 > 121 123 Ti 0.25000000000000 0.50000000000000 0.21360813611450 47.867 > 121 124 Ti 0.75000000000000 0.50000000000000 0.21360813611450 47.867 > 121 125 Ti 0.25000000000000 0.00000000000000 0.71360813611450 47.867 > 121 126 Ti 0.75000000000000 0.00000000000000 0.71360813611450 47.867 > 121 127 Ti 0.25000000000000 0.50000000000000 0.71360813611450 47.867 > 121 128 Ti 0.75000000000000 0.50000000000000 0.71360813611450 47.867 > 121 129 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 > 129 130 Ge 0.75000000000000 0.25000000000000 0.25000000000000 72.640 > 129 131 Ge 0.25000000000000 0.75000000000000 0.25000000000000 72.640 > 129 132 Ge 0.75000000000000 0.75000000000000 0.25000000000000 72.640 > 129 133 Ge 0.25000000000000 0.25000000000000 0.75000000000000 72.640 > 129 134 Ge 0.75000000000000 0.25000000000000 0.75000000000000 72.640 > 129 135 Ge 0.25000000000000 0.75000000000000 0.75000000000000 72.640 > 129 136 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 > 129 137 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 137 138 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 137 139 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 137 140 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 137 141 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 137 142 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 137 143 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 137 144 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5956788 0.0000000 0.0000000 0.0000000 3.5956788 0.0000000 0.0000000 0.0000000 2.9409835 -------------------------- Born effective charges -------------------------- 1 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 2 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 3 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 4 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 5 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 6 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 7 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 8 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 9 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 10 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 11 Na 0.9726308 0.0597611 0.0262459 0.0597611 0.9726308 0.0262459 -0.0363474 -0.0363474 1.3802560 12 Na 0.9726308 -0.0597611 -0.0262459 -0.0597611 0.9726308 0.0262459 0.0363474 -0.0363474 1.3802560 13 Na 0.9726308 0.0597611 -0.0262459 0.0597611 0.9726308 -0.0262459 0.0363474 0.0363474 1.3802560 14 Na 0.9726308 -0.0597611 0.0262459 -0.0597611 0.9726308 -0.0262459 -0.0363474 0.0363474 1.3802560 15 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 16 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 17 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 18 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000017 (zzz) -0.00000017 (zzz) -0.00000017 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) 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 2026-01-07 21:23:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:23:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.646971820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.646971820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.170437060000000 Atomic positions (fractional): 1 O 0.00000000000000 0.21661052053280 0.69542022433840 15.999 2 O 0.00000000000000 0.78338947946720 0.69542022433840 15.999 3 O 0.71661052053280 0.50000000000000 0.69542022433840 15.999 4 O 0.28338947946720 0.50000000000000 0.69542022433840 15.999 5 O 0.21661052053280 0.00000000000000 0.30457977566160 15.999 6 O 0.50000000000000 0.71661052053280 0.30457977566160 15.999 7 O 0.50000000000000 0.28338947946720 0.30457977566160 15.999 8 O 0.78338947946720 0.00000000000000 0.30457977566160 15.999 9 O 0.50000000000000 0.00000000000000 0.75858655750349 15.999 10 O 0.00000000000000 0.50000000000000 0.24141344249651 15.999 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 14 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 15 Ti 0.00000000000000 0.50000000000000 0.57278372777101 47.867 16 Ti 0.50000000000000 0.00000000000000 0.42721627222899 47.867 17 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 18 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.293943640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.293943640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.340874120000001 Atomic positions (fractional): 1 O 0.00000000000000 0.10830526026640 0.34771011216920 15.999 > 1 2 O 0.50000000000000 0.10830526026640 0.34771011216920 15.999 > 1 3 O 0.00000000000000 0.60830526026640 0.34771011216920 15.999 > 1 4 O 0.50000000000000 0.60830526026640 0.34771011216920 15.999 > 1 5 O 0.00000000000000 0.10830526026640 0.84771011216920 15.999 > 1 6 O 0.50000000000000 0.10830526026640 0.84771011216920 15.999 > 1 7 O 0.00000000000000 0.60830526026640 0.84771011216920 15.999 > 1 8 O 0.50000000000000 0.60830526026640 0.84771011216920 15.999 > 1 9 O 0.00000000000000 0.39169473973360 0.34771011216920 15.999 > 9 10 O 0.50000000000000 0.39169473973360 0.34771011216920 15.999 > 9 11 O 0.00000000000000 0.89169473973360 0.34771011216920 15.999 > 9 12 O 0.50000000000000 0.89169473973360 0.34771011216920 15.999 > 9 13 O 0.00000000000000 0.39169473973360 0.84771011216920 15.999 > 9 14 O 0.50000000000000 0.39169473973360 0.84771011216920 15.999 > 9 15 O 0.00000000000000 0.89169473973360 0.84771011216920 15.999 > 9 16 O 0.50000000000000 0.89169473973360 0.84771011216920 15.999 > 9 17 O 0.35830526026640 0.25000000000000 0.34771011216920 15.999 > 17 18 O 0.85830526026640 0.25000000000000 0.34771011216920 15.999 > 17 19 O 0.35830526026640 0.75000000000000 0.34771011216920 15.999 > 17 20 O 0.85830526026640 0.75000000000000 0.34771011216920 15.999 > 17 21 O 0.35830526026640 0.25000000000000 0.84771011216920 15.999 > 17 22 O 0.85830526026640 0.25000000000000 0.84771011216920 15.999 > 17 23 O 0.35830526026640 0.75000000000000 0.84771011216920 15.999 > 17 24 O 0.85830526026640 0.75000000000000 0.84771011216920 15.999 > 17 25 O 0.14169473973360 0.25000000000000 0.34771011216920 15.999 > 25 26 O 0.64169473973360 0.25000000000000 0.34771011216920 15.999 > 25 27 O 0.14169473973360 0.75000000000000 0.34771011216920 15.999 > 25 28 O 0.64169473973360 0.75000000000000 0.34771011216920 15.999 > 25 29 O 0.14169473973360 0.25000000000000 0.84771011216920 15.999 > 25 30 O 0.64169473973360 0.25000000000000 0.84771011216920 15.999 > 25 31 O 0.14169473973360 0.75000000000000 0.84771011216920 15.999 > 25 32 O 0.64169473973360 0.75000000000000 0.84771011216920 15.999 > 25 33 O 0.10830526026640 0.00000000000000 0.15228988783080 15.999 > 33 34 O 0.60830526026640 0.00000000000000 0.15228988783080 15.999 > 33 35 O 0.10830526026640 0.50000000000000 0.15228988783080 15.999 > 33 36 O 0.60830526026640 0.50000000000000 0.15228988783080 15.999 > 33 37 O 0.10830526026640 0.00000000000000 0.65228988783080 15.999 > 33 38 O 0.60830526026640 0.00000000000000 0.65228988783080 15.999 > 33 39 O 0.10830526026640 0.50000000000000 0.65228988783080 15.999 > 33 40 O 0.60830526026640 0.50000000000000 0.65228988783080 15.999 > 33 41 O 0.25000000000000 0.35830526026640 0.15228988783080 15.999 > 41 42 O 0.75000000000000 0.35830526026640 0.15228988783080 15.999 > 41 43 O 0.25000000000000 0.85830526026640 0.15228988783080 15.999 > 41 44 O 0.75000000000000 0.85830526026640 0.15228988783080 15.999 > 41 45 O 0.25000000000000 0.35830526026640 0.65228988783080 15.999 > 41 46 O 0.75000000000000 0.35830526026640 0.65228988783080 15.999 > 41 47 O 0.25000000000000 0.85830526026640 0.65228988783080 15.999 > 41 48 O 0.75000000000000 0.85830526026640 0.65228988783080 15.999 > 41 49 O 0.25000000000000 0.14169473973360 0.15228988783080 15.999 > 49 50 O 0.75000000000000 0.14169473973360 0.15228988783080 15.999 > 49 51 O 0.25000000000000 0.64169473973360 0.15228988783080 15.999 > 49 52 O 0.75000000000000 0.64169473973360 0.15228988783080 15.999 > 49 53 O 0.25000000000000 0.14169473973360 0.65228988783080 15.999 > 49 54 O 0.75000000000000 0.14169473973360 0.65228988783080 15.999 > 49 55 O 0.25000000000000 0.64169473973360 0.65228988783080 15.999 > 49 56 O 0.75000000000000 0.64169473973360 0.65228988783080 15.999 > 49 57 O 0.39169473973360 0.00000000000000 0.15228988783080 15.999 > 57 58 O 0.89169473973360 0.00000000000000 0.15228988783080 15.999 > 57 59 O 0.39169473973360 0.50000000000000 0.15228988783080 15.999 > 57 60 O 0.89169473973360 0.50000000000000 0.15228988783080 15.999 > 57 61 O 0.39169473973360 0.00000000000000 0.65228988783080 15.999 > 57 62 O 0.89169473973360 0.00000000000000 0.65228988783080 15.999 > 57 63 O 0.39169473973360 0.50000000000000 0.65228988783080 15.999 > 57 64 O 0.89169473973360 0.50000000000000 0.65228988783080 15.999 > 57 65 O 0.25000000000000 0.00000000000000 0.37929327875174 15.999 > 65 66 O 0.75000000000000 0.00000000000000 0.37929327875174 15.999 > 65 67 O 0.25000000000000 0.50000000000000 0.37929327875174 15.999 > 65 68 O 0.75000000000000 0.50000000000000 0.37929327875174 15.999 > 65 69 O 0.25000000000000 0.00000000000000 0.87929327875174 15.999 > 65 70 O 0.75000000000000 0.00000000000000 0.87929327875174 15.999 > 65 71 O 0.25000000000000 0.50000000000000 0.87929327875174 15.999 > 65 72 O 0.75000000000000 0.50000000000000 0.87929327875174 15.999 > 65 73 O 0.00000000000000 0.25000000000000 0.12070672124826 15.999 > 73 74 O 0.50000000000000 0.25000000000000 0.12070672124826 15.999 > 73 75 O 0.00000000000000 0.75000000000000 0.12070672124826 15.999 > 73 76 O 0.50000000000000 0.75000000000000 0.12070672124826 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.62070672124826 15.999 > 73 78 O 0.50000000000000 0.25000000000000 0.62070672124826 15.999 > 73 79 O 0.00000000000000 0.75000000000000 0.62070672124826 15.999 > 73 80 O 0.50000000000000 0.75000000000000 0.62070672124826 15.999 > 73 81 Na 0.12500000000000 0.37500000000000 0.00000000000000 22.990 > 81 82 Na 0.62500000000000 0.37500000000000 0.00000000000000 22.990 > 81 83 Na 0.12500000000000 0.87500000000000 0.00000000000000 22.990 > 81 84 Na 0.62500000000000 0.87500000000000 0.00000000000000 22.990 > 81 85 Na 0.12500000000000 0.37500000000000 0.50000000000000 22.990 > 81 86 Na 0.62500000000000 0.37500000000000 0.50000000000000 22.990 > 81 87 Na 0.12500000000000 0.87500000000000 0.50000000000000 22.990 > 81 88 Na 0.62500000000000 0.87500000000000 0.50000000000000 22.990 > 81 89 Na 0.37500000000000 0.37500000000000 0.00000000000000 22.990 > 89 90 Na 0.87500000000000 0.37500000000000 0.00000000000000 22.990 > 89 91 Na 0.37500000000000 0.87500000000000 0.00000000000000 22.990 > 89 92 Na 0.87500000000000 0.87500000000000 0.00000000000000 22.990 > 89 93 Na 0.37500000000000 0.37500000000000 0.50000000000000 22.990 > 89 94 Na 0.87500000000000 0.37500000000000 0.50000000000000 22.990 > 89 95 Na 0.37500000000000 0.87500000000000 0.50000000000000 22.990 > 89 96 Na 0.87500000000000 0.87500000000000 0.50000000000000 22.990 > 89 97 Na 0.37500000000000 0.12500000000000 0.00000000000000 22.990 > 97 98 Na 0.87500000000000 0.12500000000000 0.00000000000000 22.990 > 97 99 Na 0.37500000000000 0.62500000000000 0.00000000000000 22.990 > 97 100 Na 0.87500000000000 0.62500000000000 0.00000000000000 22.990 > 97 101 Na 0.37500000000000 0.12500000000000 0.50000000000000 22.990 > 97 102 Na 0.87500000000000 0.12500000000000 0.50000000000000 22.990 > 97 103 Na 0.37500000000000 0.62500000000000 0.50000000000000 22.990 > 97 104 Na 0.87500000000000 0.62500000000000 0.50000000000000 22.990 > 97 105 Na 0.12500000000000 0.12500000000000 0.00000000000000 22.990 > 105 106 Na 0.62500000000000 0.12500000000000 0.00000000000000 22.990 > 105 107 Na 0.12500000000000 0.62500000000000 0.00000000000000 22.990 > 105 108 Na 0.62500000000000 0.62500000000000 0.00000000000000 22.990 > 105 109 Na 0.12500000000000 0.12500000000000 0.50000000000000 22.990 > 105 110 Na 0.62500000000000 0.12500000000000 0.50000000000000 22.990 > 105 111 Na 0.12500000000000 0.62500000000000 0.50000000000000 22.990 > 105 112 Na 0.62500000000000 0.62500000000000 0.50000000000000 22.990 > 105 113 Ti 0.00000000000000 0.25000000000000 0.28639186388550 47.867 > 113 114 Ti 0.50000000000000 0.25000000000000 0.28639186388550 47.867 > 113 115 Ti 0.00000000000000 0.75000000000000 0.28639186388550 47.867 > 113 116 Ti 0.50000000000000 0.75000000000000 0.28639186388550 47.867 > 113 117 Ti 0.00000000000000 0.25000000000000 0.78639186388550 47.867 > 113 118 Ti 0.50000000000000 0.25000000000000 0.78639186388550 47.867 > 113 119 Ti 0.00000000000000 0.75000000000000 0.78639186388550 47.867 > 113 120 Ti 0.50000000000000 0.75000000000000 0.78639186388550 47.867 > 113 121 Ti 0.25000000000000 0.00000000000000 0.21360813611450 47.867 > 121 122 Ti 0.75000000000000 0.00000000000000 0.21360813611450 47.867 > 121 123 Ti 0.25000000000000 0.50000000000000 0.21360813611450 47.867 > 121 124 Ti 0.75000000000000 0.50000000000000 0.21360813611450 47.867 > 121 125 Ti 0.25000000000000 0.00000000000000 0.71360813611450 47.867 > 121 126 Ti 0.75000000000000 0.00000000000000 0.71360813611450 47.867 > 121 127 Ti 0.25000000000000 0.50000000000000 0.71360813611450 47.867 > 121 128 Ti 0.75000000000000 0.50000000000000 0.71360813611450 47.867 > 121 129 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 > 129 130 Ge 0.75000000000000 0.25000000000000 0.25000000000000 72.640 > 129 131 Ge 0.25000000000000 0.75000000000000 0.25000000000000 72.640 > 129 132 Ge 0.75000000000000 0.75000000000000 0.25000000000000 72.640 > 129 133 Ge 0.25000000000000 0.25000000000000 0.75000000000000 72.640 > 129 134 Ge 0.75000000000000 0.25000000000000 0.75000000000000 72.640 > 129 135 Ge 0.25000000000000 0.75000000000000 0.75000000000000 72.640 > 129 136 Ge 0.75000000000000 0.75000000000000 0.75000000000000 72.640 > 129 137 Ge 0.00000000000000 0.00000000000000 0.25000000000000 72.640 > 137 138 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 137 139 Ge 0.00000000000000 0.50000000000000 0.25000000000000 72.640 > 137 140 Ge 0.50000000000000 0.50000000000000 0.25000000000000 72.640 > 137 141 Ge 0.00000000000000 0.00000000000000 0.75000000000000 72.640 > 137 142 Ge 0.50000000000000 0.00000000000000 0.75000000000000 72.640 > 137 143 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 137 144 Ge 0.50000000000000 0.50000000000000 0.75000000000000 72.640 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5956788 0.0000000 0.0000000 0.0000000 3.5956788 0.0000000 0.0000000 0.0000000 2.9409835 -------------------------- Born effective charges -------------------------- 1 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 2 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 3 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 4 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 5 O -3.4492827 0.0000000 -0.0366200 0.0000000 -1.3348482 0.0000000 0.0178260 0.0000000 -1.1835742 6 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 -0.0366200 0.0000000 0.0178260 -1.1835742 7 O -1.3348482 0.0000000 0.0000000 0.0000000 -3.4492827 0.0366200 0.0000000 -0.0178260 -1.1835742 8 O -3.4492827 0.0000000 0.0366200 0.0000000 -1.3348482 0.0000000 -0.0178260 0.0000000 -1.1835742 9 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 10 O -0.9835687 0.0000000 0.0000000 0.0000000 -0.9835687 0.0000000 0.0000000 0.0000000 -2.4065481 11 Na 0.9726308 0.0597611 0.0262459 0.0597611 0.9726308 0.0262459 -0.0363474 -0.0363474 1.3802560 12 Na 0.9726308 -0.0597611 -0.0262459 -0.0597611 0.9726308 0.0262459 0.0363474 -0.0363474 1.3802560 13 Na 0.9726308 0.0597611 -0.0262459 0.0597611 0.9726308 -0.0262459 0.0363474 0.0363474 1.3802560 14 Na 0.9726308 -0.0597611 0.0262459 -0.0597611 0.9726308 -0.0262459 -0.0363474 0.0363474 1.3802560 15 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 16 Ti 4.5594741 0.0000000 0.0000000 0.0000000 4.5594741 0.0000000 0.0000000 0.0000000 2.4973904 17 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 18 Ge 4.0470949 0.0000000 0.0000000 0.0000000 4.0470949 0.0000000 0.0000000 0.0000000 1.8829424 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (zzz) -0.00000017 (zzz) -0.00000017 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 8 8 10 ] 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: 0.68, Number of G-points: 323, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 90 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 1.138 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 -0.000) 0.000 3.849 ( 0.000 0.000 -0.000) 0.000 4.208 ( -0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 -0.000) 0.000 5.286 ( -0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.505 ( -0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 -0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 7.158 ( -0.000 0.000 0.000) 0.000 7.251 ( -0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 -0.000 0.000) 0.000 7.497 ( 0.000 0.000 -0.000) 0.000 9.189 ( -0.000 0.000 0.000) 0.000 9.495 ( 0.000 -0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.104 ( -0.000 0.000 -0.000) 0.000 10.104 ( 0.000 -0.000 -0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.276 ( -0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 12.355 ( -0.000 0.000 0.000) 0.000 12.403 ( -0.000 0.000 -0.000) 0.000 12.403 ( -0.000 0.000 -0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 -0.000 -0.000) 0.000 13.386 ( 0.000 0.000 -0.000) 0.000 13.386 ( -0.000 0.000 -0.000) 0.000 14.776 ( 0.000 0.000 -0.000) 0.000 15.165 ( 0.000 0.000 -0.000) 0.000 19.638 ( -0.000 0.000 -0.000) 0.000 20.945 ( -0.000 0.000 0.000) 0.000 20.945 ( 0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 -0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 22.937 ( -0.000 0.000 0.000) 0.000 23.646 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 -0.000) 0.000 25.428 ( 0.000 0.000 0.000) 0.000 25.811 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 34.910 0.000 0.000) 34.910 0.669 ( 35.053 0.000 0.000) 35.053 1.232 ( 9.253 0.000 0.000) 9.253 1.278 ( 66.084 0.000 0.000) 66.084 2.295 ( -3.333 0.000 0.000) 3.333 2.791 ( 7.392 0.000 0.000) 7.392 3.717 ( -12.348 0.000 0.000) 12.348 4.071 ( 21.020 0.000 0.000) 21.020 4.243 ( -2.942 0.000 0.000) 2.942 4.258 ( 3.662 0.000 0.000) 3.662 4.265 ( -5.503 0.000 0.000) 5.503 4.981 ( -18.447 0.000 0.000) 18.447 5.252 ( -11.395 0.000 0.000) 11.395 5.629 ( -4.236 0.000 0.000) 4.236 5.676 ( 1.630 0.000 0.000) 1.630 5.848 ( 22.050 0.000 0.000) 22.050 5.983 ( 1.308 0.000 0.000) 1.308 6.244 ( -2.146 0.000 0.000) 2.146 6.420 ( 10.002 0.000 0.000) 10.002 6.956 ( -14.545 0.000 0.000) 14.545 6.960 ( -10.450 0.000 0.000) 10.450 7.373 ( -0.997 0.000 0.000) 0.997 7.515 ( 17.201 0.000 0.000) 17.201 7.526 ( 3.350 0.000 0.000) 3.350 7.653 ( 15.564 0.000 0.000) 15.564 7.697 ( 8.148 0.000 0.000) 8.148 9.167 ( -2.296 0.000 0.000) 2.296 9.457 ( -3.280 0.000 0.000) 3.280 9.845 ( -0.747 0.000 0.000) 0.747 9.934 ( 4.708 0.000 0.000) 4.708 10.066 ( -3.304 0.000 0.000) 3.304 11.146 ( -11.904 0.000 0.000) 11.904 11.338 ( 5.228 0.000 0.000) 5.228 11.571 ( 3.631 0.000 0.000) 3.631 11.675 ( -13.800 0.000 0.000) 13.800 12.268 ( -10.729 0.000 0.000) 10.729 12.310 ( -4.361 0.000 0.000) 4.361 12.891 ( 10.994 0.000 0.000) 10.994 13.067 ( -7.087 0.000 0.000) 7.087 13.405 ( 1.734 0.000 0.000) 1.734 13.414 ( 3.730 0.000 0.000) 3.730 14.718 ( 3.244 0.000 0.000) 3.244 14.759 ( -1.793 0.000 0.000) 1.793 15.162 ( -0.467 0.000 0.000) 0.467 19.665 ( 2.894 0.000 0.000) 2.894 20.903 ( -8.193 0.000 0.000) 8.193 20.946 ( 0.128 0.000 0.000) 0.128 20.981 ( -0.204 0.000 0.000) 0.204 23.025 ( 8.918 0.000 0.000) 8.918 23.685 ( 4.039 0.000 0.000) 4.039 23.966 ( 0.564 0.000 0.000) 0.564 24.532 ( -4.679 0.000 0.000) 4.679 25.451 ( 2.346 0.000 0.000) 2.346 25.795 ( -1.573 0.000 0.000) 1.573 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 31.902 0.000 0.000) 31.902 1.316 ( 36.295 0.000 0.000) 36.295 1.446 ( 12.466 0.000 0.000) 12.466 2.219 ( -4.018 0.000 0.000) 4.018 2.445 ( 56.414 0.000 0.000) 56.414 2.958 ( 9.161 0.000 0.000) 9.161 3.426 ( -18.196 0.000 0.000) 18.196 4.124 ( -8.894 0.000 0.000) 8.894 4.140 ( -8.332 0.000 0.000) 8.332 4.310 ( 1.691 0.000 0.000) 1.691 4.499 ( 20.305 0.000 0.000) 20.305 4.678 ( -13.453 0.000 0.000) 13.453 5.029 ( -9.411 0.000 0.000) 9.411 5.465 ( -13.638 0.000 0.000) 13.638 5.727 ( 3.877 0.000 0.000) 3.877 6.030 ( 3.646 0.000 0.000) 3.646 6.151 ( -0.247 0.000 0.000) 0.247 6.259 ( 13.207 0.000 0.000) 13.207 6.682 ( 17.331 0.000 0.000) 17.331 6.747 ( -9.219 0.000 0.000) 9.219 6.802 ( -6.560 0.000 0.000) 6.560 7.409 ( 6.757 0.000 0.000) 6.757 7.635 ( 8.470 0.000 0.000) 8.470 7.839 ( 16.336 0.000 0.000) 16.336 7.855 ( 5.444 0.000 0.000) 5.444 7.882 ( 10.390 0.000 0.000) 10.390 9.111 ( -3.169 0.000 0.000) 3.169 9.415 ( -0.060 0.000 0.000) 0.060 9.757 ( -9.664 0.000 0.000) 9.664 10.046 ( 4.140 0.000 0.000) 4.140 10.046 ( 4.583 0.000 0.000) 4.583 10.878 ( -15.663 0.000 0.000) 15.663 11.314 ( -23.095 0.000 0.000) 23.095 11.381 ( -3.360 0.000 0.000) 3.360 11.636 ( 3.329 0.000 0.000) 3.329 12.068 ( -9.939 0.000 0.000) 9.939 12.244 ( -0.460 0.000 0.000) 0.460 12.900 ( -10.038 0.000 0.000) 10.038 13.099 ( 10.493 0.000 0.000) 10.493 13.437 ( 1.308 0.000 0.000) 1.308 13.557 ( 11.836 0.000 0.000) 11.836 14.675 ( -6.693 0.000 0.000) 6.693 14.809 ( 5.250 0.000 0.000) 5.250 15.142 ( -1.766 0.000 0.000) 1.766 19.751 ( 6.426 0.000 0.000) 6.426 20.694 ( -13.461 0.000 0.000) 13.461 20.950 ( 0.238 0.000 0.000) 0.238 20.976 ( -0.342 0.000 0.000) 0.342 23.247 ( 13.875 0.000 0.000) 13.875 23.791 ( 6.943 0.000 0.000) 6.943 23.967 ( -0.921 0.000 0.000) 0.921 24.412 ( -7.711 0.000 0.000) 7.711 25.508 ( 3.443 0.000 0.000) 3.443 25.755 ( -2.632 0.000 0.000) 2.632 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 10.693 0.000 0.000) 10.693 1.797 ( 15.336 0.000 0.000) 15.336 1.998 ( 35.656 0.000 0.000) 35.656 2.217 ( 8.793 0.000 0.000) 8.793 2.973 ( -5.720 0.000 0.000) 5.720 3.041 ( -22.540 0.000 0.000) 22.540 3.391 ( 34.912 0.000 0.000) 34.912 3.944 ( -9.954 0.000 0.000) 9.954 4.019 ( 2.745 0.000 0.000) 2.745 4.332 ( 1.083 0.000 0.000) 1.083 4.477 ( -8.039 0.000 0.000) 8.039 4.711 ( -1.456 0.000 0.000) 1.456 4.957 ( 1.295 0.000 0.000) 1.295 5.167 ( -14.386 0.000 0.000) 14.386 5.821 ( 5.931 0.000 0.000) 5.931 6.065 ( -6.048 0.000 0.000) 6.048 6.126 ( 6.904 0.000 0.000) 6.904 6.497 ( 9.536 0.000 0.000) 9.536 6.543 ( -12.759 0.000 0.000) 12.759 6.704 ( -4.198 0.000 0.000) 4.198 7.044 ( 20.218 0.000 0.000) 20.218 7.562 ( 2.174 0.000 0.000) 2.174 7.840 ( 12.633 0.000 0.000) 12.633 7.927 ( 6.864 0.000 0.000) 6.864 8.051 ( 6.601 0.000 0.000) 6.601 8.075 ( 6.820 0.000 0.000) 6.820 9.087 ( 2.332 0.000 0.000) 2.332 9.492 ( 9.344 0.000 0.000) 9.344 9.512 ( -15.081 0.000 0.000) 15.081 10.085 ( -6.059 0.000 0.000) 6.059 10.147 ( 7.740 0.000 0.000) 7.740 10.584 ( -14.995 0.000 0.000) 14.995 10.924 ( -13.053 0.000 0.000) 13.053 11.193 ( -14.591 0.000 0.000) 14.591 11.702 ( 3.794 0.000 0.000) 3.794 11.903 ( -7.460 0.000 0.000) 7.460 12.325 ( 8.079 0.000 0.000) 8.079 12.704 ( -10.624 0.000 0.000) 10.624 13.273 ( 7.829 0.000 0.000) 7.829 13.441 ( -1.126 0.000 0.000) 1.126 13.846 ( 18.054 0.000 0.000) 18.054 14.491 ( -13.000 0.000 0.000) 13.000 14.913 ( 5.568 0.000 0.000) 5.568 15.092 ( -3.487 0.000 0.000) 3.487 19.910 ( 10.463 0.000 0.000) 10.463 20.419 ( -15.220 0.000 0.000) 15.220 20.955 ( 0.321 0.000 0.000) 0.321 20.969 ( -0.392 0.000 0.000) 0.392 23.518 ( 14.264 0.000 0.000) 14.264 23.913 ( -5.285 0.000 0.000) 5.285 23.936 ( 8.189 0.000 0.000) 8.189 24.255 ( -8.731 0.000 0.000) 8.731 25.574 ( 3.551 0.000 0.000) 3.551 25.700 ( -3.108 0.000 0.000) 3.108 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -5.929 0.000 0.000) 5.929 1.831 ( 5.929 0.000 0.000) 5.929 2.589 ( -24.741 0.000 0.000) 24.741 2.589 ( 24.741 0.000 0.000) 24.741 2.620 ( -28.724 0.000 0.000) 28.724 2.620 ( 28.724 0.000 0.000) 28.724 3.754 ( -10.583 0.000 0.000) 10.583 3.754 ( 10.583 0.000 0.000) 10.583 4.370 ( -3.518 0.000 0.000) 3.518 4.370 ( 3.518 0.000 0.000) 3.518 4.391 ( -27.122 0.000 0.000) 27.122 4.391 ( 27.122 0.000 0.000) 27.122 5.020 ( -4.215 0.000 0.000) 4.215 5.020 ( 4.215 0.000 0.000) 4.215 5.942 ( -6.733 0.000 0.000) 6.733 5.942 ( 6.733 0.000 0.000) 6.733 6.302 ( -11.736 0.000 0.000) 11.736 6.302 ( 11.736 0.000 0.000) 11.736 6.625 ( -4.788 0.000 0.000) 4.788 6.625 ( 4.788 0.000 0.000) 4.788 7.398 ( -16.054 0.000 0.000) 16.054 7.398 ( 16.054 0.000 0.000) 16.054 8.055 ( -8.139 0.000 0.000) 8.139 8.055 ( 8.139 0.000 0.000) 8.139 8.082 ( -4.491 0.000 0.000) 4.491 8.082 ( 4.491 0.000 0.000) 4.491 9.236 ( -12.826 0.000 0.000) 12.826 9.236 ( 12.826 0.000 0.000) 12.826 9.786 ( -20.418 0.000 0.000) 20.418 9.786 ( 20.418 0.000 0.000) 20.418 10.331 ( -11.725 0.000 0.000) 11.725 10.331 ( 11.725 0.000 0.000) 11.725 10.930 ( -10.686 0.000 0.000) 10.686 10.930 ( 10.686 0.000 0.000) 10.686 11.785 ( -5.224 0.000 0.000) 5.224 11.785 ( 5.224 0.000 0.000) 5.224 12.505 ( -10.376 0.000 0.000) 10.376 12.505 ( 10.376 0.000 0.000) 10.376 13.389 ( -4.469 0.000 0.000) 4.469 13.389 ( 4.469 0.000 0.000) 4.469 14.195 ( -17.949 0.000 0.000) 17.949 14.195 ( 17.949 0.000 0.000) 17.949 15.013 ( -4.896 0.000 0.000) 4.896 15.013 ( 4.896 0.000 0.000) 4.896 20.141 ( -13.882 0.000 0.000) 13.882 20.141 ( 13.882 0.000 0.000) 13.882 20.962 ( -0.376 0.000 0.000) 0.376 20.962 ( 0.376 0.000 0.000) 0.376 23.760 ( -10.904 0.000 0.000) 10.904 23.760 ( 10.904 0.000 0.000) 10.904 24.093 ( -8.454 0.000 0.000) 8.454 24.093 ( 8.454 0.000 0.000) 8.454 25.639 ( -3.340 0.000 0.000) 3.340 25.639 ( 3.340 0.000 0.000) 3.340 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 18.397 18.397 0.000) 26.017 0.969 ( 25.537 25.537 0.000) 36.114 1.376 ( 14.432 14.432 0.000) 20.410 1.787 ( 45.239 45.239 0.000) 63.977 2.317 ( -0.594 -0.594 0.000) 0.840 2.837 ( 6.591 6.591 0.000) 9.320 3.861 ( -1.465 -1.465 0.000) 2.071 3.941 ( 3.835 3.835 0.000) 5.423 4.210 ( -5.578 -5.578 0.000) 7.888 4.211 ( -2.457 -2.457 0.000) 3.474 4.373 ( 8.865 8.865 0.000) 12.537 4.821 ( -13.216 -13.216 0.000) 18.691 5.181 ( -8.630 -8.630 0.000) 12.204 5.637 ( -0.629 -0.629 0.000) 0.889 5.673 ( 0.183 0.183 0.000) 0.259 5.961 ( -1.065 -1.065 0.000) 1.506 6.023 ( 15.476 15.476 0.000) 21.886 6.382 ( 2.979 2.979 0.000) 4.214 6.383 ( 6.186 6.186 0.000) 8.748 6.700 ( -11.691 -11.691 0.000) 16.534 7.177 ( -0.326 -0.326 0.000) 0.461 7.226 ( -0.191 -0.191 0.000) 0.270 7.577 ( 5.132 5.132 0.000) 7.258 7.611 ( 6.249 6.249 0.000) 8.837 7.722 ( 5.140 5.140 0.000) 7.268 7.827 ( 12.775 12.775 0.000) 18.067 9.153 ( -1.399 -1.399 0.000) 1.979 9.435 ( -1.829 -1.829 0.000) 2.586 9.818 ( -1.451 -1.451 0.000) 2.053 9.935 ( 1.224 1.224 0.000) 1.731 10.064 ( -2.123 -2.123 0.000) 3.002 11.097 ( -9.343 -9.343 0.000) 13.213 11.144 ( -9.677 -9.677 0.000) 13.685 11.565 ( -9.428 -9.428 0.000) 13.333 11.790 ( 15.785 15.785 0.000) 22.323 11.915 ( -20.113 -20.113 0.000) 28.444 12.275 ( -3.549 -3.549 0.000) 5.020 12.891 ( 5.004 5.004 0.000) 7.077 13.284 ( -4.944 -4.944 0.000) 6.992 13.465 ( 11.806 11.806 0.000) 16.697 13.561 ( 8.557 8.557 0.000) 12.101 14.630 ( -2.605 -2.605 0.000) 3.684 14.747 ( -1.501 -1.501 0.000) 2.122 15.157 ( -0.627 -0.627 0.000) 0.887 19.649 ( 0.733 0.733 0.000) 1.036 20.830 ( -7.610 -7.610 0.000) 10.763 20.958 ( 0.417 0.417 0.000) 0.590 20.975 ( -0.555 -0.555 0.000) 0.785 23.108 ( 8.414 8.414 0.000) 11.899 23.725 ( 4.099 4.099 0.000) 5.798 23.976 ( 0.816 0.816 0.000) 1.154 24.513 ( -2.999 -2.999 0.000) 4.242 25.472 ( 2.096 2.096 0.000) 2.964 25.781 ( -1.425 -1.425 0.000) 2.015 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 21.674 0.388 0.000) 21.678 1.494 ( 28.346 17.447 0.000) 33.285 1.738 ( 23.387 21.895 0.000) 32.037 2.261 ( -3.963 3.033 0.000) 4.990 2.673 ( 41.018 18.858 0.000) 45.145 3.049 ( 17.585 13.333 0.000) 22.068 3.581 ( -18.579 12.764 0.000) 22.541 4.070 ( -8.880 -5.474 0.000) 10.432 4.136 ( -6.391 0.236 0.000) 6.396 4.161 ( 7.240 -11.225 0.000) 13.357 4.572 ( -12.174 -9.561 0.000) 15.480 4.592 ( 13.364 6.820 0.000) 15.004 4.992 ( -8.224 -5.366 0.000) 9.820 5.522 ( -11.361 5.456 0.000) 12.603 5.723 ( 4.440 -1.371 0.000) 4.647 5.959 ( 0.662 -4.625 0.000) 4.672 6.275 ( 2.096 11.418 0.000) 11.608 6.375 ( 9.822 10.203 0.000) 14.162 6.536 ( -6.587 -8.632 0.000) 10.858 6.666 ( 17.709 -1.314 0.000) 17.758 7.051 ( -6.570 13.081 0.000) 14.638 7.343 ( 8.594 -5.828 0.000) 10.383 7.728 ( 8.937 -3.472 0.000) 9.588 7.732 ( 7.768 9.691 0.000) 12.420 7.893 ( 11.010 1.573 0.000) 11.122 8.026 ( 7.958 9.350 0.000) 12.279 9.119 ( -2.045 0.803 0.000) 2.197 9.421 ( 1.414 0.727 0.000) 1.590 9.776 ( -8.457 1.135 0.000) 8.533 9.881 ( -1.613 -7.501 0.000) 7.672 10.095 ( 4.902 -3.971 0.000) 6.308 10.789 ( -18.233 -8.460 0.000) 20.100 11.047 ( -5.197 -23.040 0.000) 23.619 11.291 ( -20.784 -2.080 0.000) 20.888 11.646 ( -7.518 -27.781 0.000) 28.780 11.966 ( -3.534 20.782 0.000) 21.080 12.292 ( 11.356 5.487 0.000) 12.612 12.996 ( 4.836 1.228 0.000) 4.989 13.243 ( 0.480 -12.047 0.000) 12.056 13.465 ( -6.899 29.952 0.000) 30.736 13.741 ( 10.858 11.674 0.000) 15.943 14.672 ( -0.430 -4.322 0.000) 4.343 14.700 ( 1.691 -6.175 0.000) 6.403 15.132 ( -2.197 -1.193 0.000) 2.500 19.713 ( 5.905 -2.466 0.000) 6.399 20.632 ( -12.886 -6.369 0.000) 14.374 20.958 ( -0.318 0.290 0.000) 0.430 20.963 ( -0.648 -1.316 0.000) 1.467 23.318 ( 13.187 7.255 0.000) 15.051 23.831 ( 6.948 4.154 0.000) 8.095 23.984 ( -0.438 1.546 0.000) 1.607 24.419 ( -6.638 0.006 0.000) 6.638 25.523 ( 3.118 1.552 0.000) 3.483 25.745 ( -2.363 -1.008 0.000) 2.569 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 16.428 -2.728 0.000) 16.653 1.913 ( 8.989 9.981 0.000) 13.432 2.228 ( 27.464 19.797 0.000) 33.856 2.271 ( 11.721 5.282 0.000) 12.856 3.033 ( 1.608 4.878 0.000) 5.136 3.197 ( -21.761 13.260 0.000) 25.482 3.550 ( 20.819 16.843 0.000) 26.779 3.892 ( -9.650 -5.122 0.000) 10.925 4.057 ( 7.253 4.941 0.000) 8.776 4.227 ( 1.625 -9.204 0.000) 9.346 4.386 ( -7.157 -8.335 0.000) 10.986 4.739 ( -1.409 3.228 0.000) 3.522 4.949 ( 3.345 -2.645 0.000) 4.264 5.259 ( -14.125 7.478 0.000) 15.983 5.825 ( 5.994 -0.686 0.000) 6.033 5.972 ( 0.078 -6.837 0.000) 6.837 6.232 ( -1.914 10.508 0.000) 10.680 6.405 ( -7.847 -4.325 0.000) 8.961 6.604 ( 10.676 9.209 0.000) 14.099 6.916 ( -7.689 13.406 0.000) 15.455 7.028 ( 19.868 -1.609 0.000) 19.933 7.514 ( 2.874 -4.970 0.000) 5.741 7.894 ( 11.575 -1.826 0.000) 11.718 7.910 ( 10.318 6.763 0.000) 12.337 8.084 ( 8.153 3.919 0.000) 9.046 8.133 ( 3.158 5.124 0.000) 6.019 9.093 ( 0.281 0.800 0.000) 0.848 9.497 ( -17.687 -1.723 0.000) 17.771 9.528 ( 10.805 3.046 0.000) 11.226 9.937 ( 4.270 -10.830 0.000) 11.641 10.144 ( -1.920 -4.568 0.000) 4.955 10.454 ( -16.689 -12.222 0.000) 20.686 10.900 ( -15.712 -6.099 0.000) 16.854 10.930 ( -7.101 -24.003 0.000) 25.031 11.586 ( 0.100 -16.945 0.000) 16.945 11.792 ( -10.420 9.134 0.000) 13.857 12.583 ( 15.990 22.432 0.000) 27.548 13.019 ( -3.932 12.376 0.000) 12.986 13.277 ( 2.216 -13.540 0.000) 13.720 13.338 ( -4.289 14.931 0.000) 15.535 13.980 ( 14.591 10.665 0.000) 18.074 14.525 ( -11.226 3.175 0.000) 11.666 14.832 ( 7.723 -8.164 0.000) 11.238 15.070 ( -4.389 -2.439 0.000) 5.021 19.866 ( 10.296 -3.738 0.000) 10.954 20.366 ( -14.832 -5.273 0.000) 15.742 20.951 ( -0.308 -0.709 0.000) 0.773 20.953 ( -0.425 -1.772 0.000) 1.822 23.575 ( 13.501 5.841 0.000) 14.710 23.941 ( -4.579 2.719 0.000) 5.325 23.975 ( 8.019 3.948 0.000) 8.938 24.278 ( -8.010 2.068 0.000) 8.273 25.583 ( 3.212 0.933 0.000) 3.345 25.696 ( -2.769 -0.405 0.000) 2.799 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -9.812 1.727 0.000) 9.963 1.851 ( 9.812 1.727 0.000) 9.963 2.592 ( -5.167 6.906 0.000) 8.625 2.592 ( 5.167 6.906 0.000) 8.625 2.889 ( -3.368 18.433 0.000) 18.738 2.889 ( 3.368 18.433 0.000) 18.738 3.726 ( -7.354 -2.242 0.000) 7.689 3.726 ( 7.354 -2.242 0.000) 7.689 4.260 ( -1.710 -8.329 0.000) 8.503 4.260 ( 1.710 -8.329 0.000) 8.503 4.487 ( -22.060 8.229 0.000) 23.545 4.487 ( 22.060 8.229 0.000) 23.545 5.062 ( -7.642 2.522 0.000) 8.047 5.062 ( 7.642 2.522 0.000) 8.047 5.931 ( -4.606 -3.051 0.000) 5.525 5.931 ( 4.606 -3.051 0.000) 5.525 6.265 ( -5.633 2.591 0.000) 6.200 6.265 ( 5.633 2.591 0.000) 6.200 6.772 ( -7.778 11.343 0.000) 13.753 6.772 ( 7.778 11.343 0.000) 13.753 7.370 ( -15.098 -2.957 0.000) 15.384 7.370 ( 15.098 -2.957 0.000) 15.384 8.056 ( -1.786 1.200 0.000) 2.152 8.056 ( 1.786 1.200 0.000) 2.152 8.152 ( -0.839 6.631 0.000) 6.684 8.152 ( 0.839 6.631 0.000) 6.684 9.195 ( -11.941 -3.708 0.000) 12.504 9.195 ( 11.941 -3.708 0.000) 12.504 9.816 ( -17.261 2.386 0.000) 17.425 9.816 ( 17.261 2.386 0.000) 17.425 10.188 ( -10.603 -13.260 0.000) 16.978 10.188 ( 10.603 -13.260 0.000) 16.978 10.810 ( -3.875 -16.689 0.000) 17.133 10.810 ( 3.875 -16.689 0.000) 17.133 11.638 ( -5.499 -3.257 0.000) 6.391 11.638 ( 5.499 -3.257 0.000) 6.391 12.853 ( -12.357 25.620 0.000) 28.445 12.853 ( 12.357 25.620 0.000) 28.445 13.305 ( -0.794 -6.437 0.000) 6.485 13.305 ( 0.794 -6.437 0.000) 6.485 14.270 ( -15.337 6.815 0.000) 16.783 14.270 ( 15.337 6.815 0.000) 16.783 14.967 ( -6.450 -4.731 0.000) 7.999 14.967 ( 6.450 -4.731 0.000) 7.999 20.094 ( -13.669 -4.465 0.000) 14.380 20.094 ( 13.669 -4.465 0.000) 14.380 20.948 ( -0.030 -1.561 0.000) 1.562 20.948 ( 0.030 -1.561 0.000) 1.562 23.802 ( -10.081 4.261 0.000) 10.945 23.802 ( 10.081 4.261 0.000) 10.945 24.126 ( -8.058 3.309 0.000) 8.711 24.126 ( 8.058 3.309 0.000) 8.711 25.642 ( -2.987 0.272 0.000) 2.999 25.642 ( 2.987 0.272 0.000) 2.999 ======================= Grid point 20 (10/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 11.593 11.593 0.000) 16.395 1.869 ( 20.465 20.465 0.000) 28.942 2.191 ( 25.348 25.348 0.000) 35.847 2.282 ( -0.551 -0.551 0.000) 0.779 2.939 ( 10.536 10.536 0.000) 14.901 3.555 ( 34.895 34.895 0.000) 49.349 3.661 ( -9.009 -9.009 0.000) 12.740 3.934 ( -8.463 -8.463 0.000) 11.969 4.035 ( 0.285 0.285 0.000) 0.403 4.148 ( -0.215 -0.215 0.000) 0.304 4.374 ( -10.730 -10.730 0.000) 15.174 4.738 ( 8.239 8.239 0.000) 11.652 4.835 ( -8.490 -8.490 0.000) 12.006 5.572 ( -7.595 -7.595 0.000) 10.741 5.692 ( 4.127 4.127 0.000) 5.836 5.899 ( -1.725 -1.725 0.000) 2.439 6.483 ( 1.666 1.666 0.000) 2.356 6.529 ( 4.748 4.748 0.000) 6.715 6.536 ( 11.698 11.698 0.000) 16.544 6.706 ( 10.172 10.172 0.000) 14.386 7.204 ( -1.004 -1.004 0.000) 1.420 7.277 ( 4.092 4.092 0.000) 5.787 7.733 ( 4.530 4.530 0.000) 6.407 7.944 ( 6.077 6.077 0.000) 8.595 7.972 ( 12.664 12.664 0.000) 17.910 8.171 ( 5.633 5.633 0.000) 7.966 9.139 ( 1.104 1.104 0.000) 1.562 9.448 ( 2.686 2.686 0.000) 3.799 9.735 ( -2.942 -2.942 0.000) 4.160 9.792 ( -11.015 -11.015 0.000) 15.577 9.950 ( -3.698 -3.698 0.000) 5.229 10.595 ( -18.209 -18.209 0.000) 25.751 10.611 ( -15.655 -15.655 0.000) 22.139 11.076 ( -23.465 -23.465 0.000) 33.185 11.389 ( 2.688 2.688 0.000) 3.801 12.136 ( -3.507 -3.507 0.000) 4.960 12.583 ( 24.511 24.511 0.000) 34.663 13.009 ( 0.541 0.541 0.000) 0.765 13.064 ( -6.055 -6.055 0.000) 8.564 13.878 ( 9.691 9.691 0.000) 13.706 13.959 ( 11.678 11.678 0.000) 16.515 14.515 ( -3.074 -3.074 0.000) 4.347 14.672 ( -2.304 -2.304 0.000) 3.258 15.090 ( -3.434 -3.434 0.000) 4.856 19.709 ( 2.553 2.553 0.000) 3.611 20.466 ( -10.934 -10.934 0.000) 15.463 20.932 ( -1.757 -1.757 0.000) 2.484 20.949 ( -1.196 -1.196 0.000) 1.691 23.500 ( 11.395 11.395 0.000) 16.115 23.937 ( 6.727 6.727 0.000) 9.514 24.012 ( 0.953 0.953 0.000) 1.347 24.392 ( -2.984 -2.984 0.000) 4.220 25.561 ( 2.381 2.381 0.000) 3.367 25.719 ( -1.619 -1.619 0.000) 2.289 ======================= Grid point 21 (11/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 15.042 4.833 0.000) 15.799 2.065 ( -3.987 4.125 0.000) 5.737 2.419 ( 19.251 11.070 0.000) 22.207 2.652 ( 21.872 23.923 0.000) 32.414 3.114 ( 7.560 3.654 0.000) 8.396 3.370 ( -18.035 1.714 0.000) 18.116 3.775 ( -7.534 -6.684 0.000) 10.071 3.933 ( -9.404 19.032 0.000) 21.229 4.062 ( 1.198 -6.723 0.000) 6.829 4.180 ( -3.720 -4.930 0.000) 6.176 4.291 ( 21.996 13.248 0.000) 25.677 4.809 ( 6.781 -11.834 0.000) 13.640 4.837 ( 0.337 6.649 0.000) 6.658 5.319 ( -16.001 -4.530 0.000) 16.630 5.807 ( 5.673 1.692 0.000) 5.920 5.885 ( -0.129 -1.640 0.000) 1.645 6.493 ( -3.062 16.005 0.000) 16.295 6.493 ( -1.699 12.446 0.000) 12.562 6.783 ( 11.351 8.759 0.000) 14.338 6.997 ( 17.606 -0.803 0.000) 17.624 7.113 ( -6.686 6.566 0.000) 9.371 7.390 ( 2.607 -7.371 0.000) 7.818 7.917 ( 15.274 5.503 0.000) 16.235 8.047 ( 5.434 6.627 0.000) 8.570 8.233 ( 12.316 12.503 0.000) 17.550 8.237 ( 2.009 5.176 0.000) 5.552 9.129 ( -2.736 3.278 0.000) 4.270 9.427 ( -22.173 -7.031 0.000) 23.261 9.570 ( 11.529 0.569 0.000) 11.543 9.739 ( 3.629 -9.495 0.000) 10.165 9.970 ( 0.854 -11.917 0.000) 11.948 10.188 ( -19.590 -14.747 0.000) 24.520 10.430 ( -7.684 -26.710 0.000) 27.793 10.618 ( -22.792 -20.500 0.000) 30.655 11.519 ( 9.683 6.554 0.000) 11.692 11.969 ( -12.166 7.578 0.000) 14.333 13.010 ( 0.398 -5.035 0.000) 5.050 13.018 ( 0.307 -5.006 0.000) 5.016 13.062 ( 23.782 18.722 0.000) 30.267 13.801 ( -13.443 25.925 0.000) 29.203 14.183 ( 12.128 10.459 0.000) 16.015 14.582 ( -6.695 1.957 0.000) 6.975 14.630 ( 10.815 -12.448 0.000) 16.490 14.996 ( -6.643 -5.553 0.000) 8.658 19.810 ( 8.042 -1.399 0.000) 8.163 20.237 ( -12.896 -8.026 0.000) 15.189 20.906 ( -0.899 -2.970 0.000) 3.103 20.921 ( -1.459 -2.389 0.000) 2.799 23.720 ( 11.340 8.900 0.000) 14.416 24.001 ( -2.585 3.143 0.000) 4.069 24.071 ( 7.197 5.843 0.000) 9.270 24.312 ( -5.317 1.066 0.000) 5.423 25.607 ( 2.398 1.509 0.000) 2.833 25.686 ( -1.859 -0.577 0.000) 1.947 ======================= Grid point 22 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -12.539 2.411 0.000) 12.769 1.890 ( 12.539 2.411 0.000) 12.769 2.789 ( -13.754 11.828 0.000) 18.141 2.789 ( 13.754 11.828 0.000) 18.141 3.173 ( -0.596 9.207 0.000) 9.226 3.173 ( 0.596 9.207 0.000) 9.226 3.722 ( -4.961 3.047 0.000) 5.822 3.722 ( 4.961 3.047 0.000) 5.822 4.096 ( -3.002 -7.869 0.000) 8.422 4.096 ( 3.002 -7.869 0.000) 8.422 4.700 ( -15.479 13.147 0.000) 20.309 4.700 ( 15.479 13.147 0.000) 20.309 5.025 ( -14.439 -8.061 0.000) 16.536 5.025 ( 14.439 -8.061 0.000) 16.536 5.876 ( -1.564 0.233 0.000) 1.581 5.876 ( 1.564 0.233 0.000) 1.581 6.461 ( -0.309 16.152 0.000) 16.154 6.461 ( 0.309 16.152 0.000) 16.154 6.968 ( -8.623 8.661 0.000) 12.221 6.968 ( 8.623 8.661 0.000) 12.221 7.292 ( -12.068 -5.027 0.000) 13.073 7.292 ( 12.068 -5.027 0.000) 13.073 8.114 ( -0.372 5.136 0.000) 5.150 8.114 ( 0.372 5.136 0.000) 5.150 8.322 ( -5.230 11.034 0.000) 12.211 8.322 ( 5.230 11.034 0.000) 12.211 9.117 ( -6.508 -4.403 0.000) 7.857 9.117 ( 6.508 -4.403 0.000) 7.857 9.840 ( -9.800 -0.442 0.000) 9.810 9.840 ( 9.800 -0.442 0.000) 9.810 9.896 ( -7.252 -16.562 0.000) 18.080 9.896 ( 7.252 -16.562 0.000) 18.080 10.358 ( -2.442 -26.874 0.000) 26.985 10.358 ( 2.442 -26.874 0.000) 26.985 11.730 ( -12.399 9.354 0.000) 15.532 11.730 ( 12.399 9.354 0.000) 15.532 13.017 ( -0.428 -8.273 0.000) 8.284 13.017 ( 0.428 -8.273 0.000) 8.284 13.481 ( -19.902 24.956 0.000) 31.920 13.481 ( 19.902 24.956 0.000) 31.920 14.406 ( -11.154 6.884 0.000) 13.107 14.406 ( 11.154 6.884 0.000) 13.107 14.839 ( -10.071 -8.877 0.000) 13.424 14.839 ( 10.071 -8.877 0.000) 13.424 20.000 ( -11.799 -4.846 0.000) 12.756 20.000 ( 11.799 -4.846 0.000) 12.756 20.902 ( -0.490 -3.216 0.000) 3.254 20.902 ( 0.490 -3.216 0.000) 3.254 23.904 ( -7.738 5.974 0.000) 9.775 23.904 ( 7.738 5.974 0.000) 9.775 24.200 ( -6.455 4.034 0.000) 7.612 24.200 ( 6.455 4.034 0.000) 7.612 25.649 ( -2.085 0.521 0.000) 2.149 25.649 ( 2.085 0.521 0.000) 2.149 ======================= Grid point 30 (13/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 9.054 9.054 0.000) 12.805 2.059 ( -4.094 -4.094 0.000) 5.790 2.676 ( 15.437 15.437 0.000) 21.831 3.067 ( 17.041 17.041 0.000) 24.100 3.182 ( 3.881 3.881 0.000) 5.488 3.262 ( -10.385 -10.385 0.000) 14.687 3.669 ( -2.703 -2.703 0.000) 3.822 3.976 ( -9.694 -9.694 0.000) 13.710 4.001 ( 0.130 0.130 0.000) 0.185 4.216 ( 2.373 2.373 0.000) 3.356 4.543 ( 2.537 2.537 0.000) 3.588 4.710 ( 12.888 12.888 0.000) 18.226 4.940 ( 2.972 2.972 0.000) 4.203 5.097 ( -16.392 -16.392 0.000) 23.182 5.897 ( 5.431 5.431 0.000) 7.681 5.905 ( 2.943 2.943 0.000) 4.163 6.731 ( 8.565 8.565 0.000) 12.112 6.743 ( 6.678 6.678 0.000) 9.444 6.925 ( 8.840 8.840 0.000) 12.502 7.053 ( 7.055 7.055 0.000) 9.977 7.157 ( -1.328 -1.328 0.000) 1.879 7.279 ( -3.599 -3.599 0.000) 5.089 8.123 ( 15.917 15.917 0.000) 22.510 8.158 ( 5.413 5.413 0.000) 7.655 8.303 ( 2.009 2.009 0.000) 2.840 8.516 ( 15.373 15.373 0.000) 21.741 9.175 ( -19.029 -19.029 0.000) 26.911 9.180 ( -1.254 -1.254 0.000) 1.774 9.560 ( 1.174 1.174 0.000) 1.660 9.603 ( -3.905 -3.905 0.000) 5.523 9.819 ( -2.824 -2.824 0.000) 3.993 9.924 ( -14.173 -14.173 0.000) 20.044 10.017 ( -13.721 -13.721 0.000) 19.404 10.223 ( -20.668 -20.668 0.000) 29.230 11.700 ( 11.026 11.026 0.000) 15.593 12.023 ( -2.356 -2.356 0.000) 3.332 12.859 ( -4.075 -4.075 0.000) 5.763 12.921 ( -4.727 -4.727 0.000) 6.684 13.530 ( 24.196 24.196 0.000) 34.218 14.169 ( 5.533 5.533 0.000) 7.825 14.366 ( 8.868 8.868 0.000) 12.541 14.425 ( -1.502 -1.502 0.000) 2.125 14.588 ( -1.941 -1.941 0.000) 2.745 14.856 ( -9.552 -9.552 0.000) 13.509 19.828 ( 3.280 3.280 0.000) 4.638 20.078 ( -8.598 -8.598 0.000) 12.159 20.855 ( -1.966 -1.966 0.000) 2.781 20.872 ( -2.473 -2.473 0.000) 3.498 23.886 ( 8.102 8.102 0.000) 11.458 24.039 ( 0.457 0.457 0.000) 0.646 24.179 ( 5.316 5.316 0.000) 7.518 24.310 ( -1.344 -1.344 0.000) 1.901 25.636 ( 1.458 1.458 0.000) 2.061 25.675 ( -0.672 -0.672 0.000) 0.950 ======================= Grid point 31 (14/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -8.526 1.999 0.000) 8.758 1.935 ( 8.526 1.999 0.000) 8.758 2.974 ( -15.571 6.906 0.000) 17.034 2.974 ( 15.571 6.906 0.000) 17.034 3.245 ( -1.064 0.741 0.000) 1.297 3.245 ( 1.064 0.741 0.000) 1.297 3.769 ( -11.711 -1.848 0.000) 11.856 3.769 ( 11.711 -1.848 0.000) 11.856 4.076 ( -8.388 8.909 0.000) 12.236 4.076 ( 8.388 8.909 0.000) 12.236 4.766 ( -17.212 -16.244 0.000) 23.667 4.766 ( 17.212 -16.244 0.000) 23.667 4.920 ( -6.125 7.474 0.000) 9.664 4.920 ( 6.125 7.474 0.000) 9.664 5.949 ( -0.395 5.666 0.000) 5.679 5.949 ( 0.395 5.666 0.000) 5.679 6.784 ( -0.457 15.226 0.000) 15.233 6.784 ( 0.457 15.226 0.000) 15.233 7.085 ( -6.194 3.822 0.000) 7.278 7.085 ( 6.194 3.822 0.000) 7.278 7.204 ( -6.633 -3.381 0.000) 7.445 7.204 ( 6.633 -3.381 0.000) 7.445 8.243 ( -3.012 7.811 0.000) 8.372 8.243 ( 3.012 7.811 0.000) 8.372 8.540 ( -18.576 10.897 0.000) 21.536 8.540 ( 18.576 10.897 0.000) 21.536 9.022 ( -9.862 -5.845 0.000) 11.464 9.022 ( 9.862 -5.845 0.000) 11.464 9.606 ( -2.305 -13.180 0.000) 13.380 9.606 ( 2.305 -13.180 0.000) 13.380 9.800 ( -2.904 -3.263 0.000) 4.368 9.800 ( 2.904 -3.263 0.000) 4.368 9.917 ( -5.394 -17.640 0.000) 18.446 9.917 ( 5.394 -17.640 0.000) 18.446 11.900 ( -9.537 7.415 0.000) 12.081 11.900 ( 9.537 7.415 0.000) 12.081 12.851 ( -2.335 -7.308 0.000) 7.672 12.851 ( 2.335 -7.308 0.000) 7.672 13.945 ( -19.443 22.849 0.000) 30.001 13.945 ( 19.443 22.849 0.000) 30.001 14.510 ( -6.165 3.859 0.000) 7.273 14.510 ( 6.165 3.859 0.000) 7.273 14.635 ( -13.790 -12.817 0.000) 18.826 14.635 ( 13.790 -12.817 0.000) 18.826 19.927 ( -7.023 -2.707 0.000) 7.527 19.927 ( 7.023 -2.707 0.000) 7.527 20.841 ( -0.541 -2.739 0.000) 2.792 20.841 ( 0.541 -2.739 0.000) 2.792 24.005 ( -4.219 4.236 0.000) 5.979 24.005 ( 4.219 4.236 0.000) 5.979 24.263 ( -3.533 2.409 0.000) 4.276 24.263 ( 3.533 2.409 0.000) 4.276 25.659 ( -1.006 0.468 0.000) 1.109 25.659 ( 1.006 0.468 0.000) 1.109 ======================= Grid point 44 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 3.037 ( -0.000 -0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 4.274 ( -0.000 -0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 6.014 ( -0.000 -0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 8.341 ( -0.000 -0.000 0.000) 0.000 8.341 ( -0.000 -0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 11.975 ( -0.000 -0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 14.276 ( -0.000 -0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 19.902 ( 0.000 0.000 0.000) 0.000 19.902 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 24.047 ( 0.000 0.000 0.000) 0.000 24.047 ( 0.000 0.000 0.000) 0.000 24.286 ( 0.000 0.000 0.000) 0.000 24.286 ( 0.000 0.000 0.000) 0.000 25.664 ( 0.000 0.000 0.000) 0.000 25.664 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 0.000 35.029) 35.029 0.692 ( 0.000 0.000 35.029) 35.029 1.044 ( 0.000 0.000 53.335) 53.335 1.138 ( 0.000 0.000 0.024) 0.024 2.331 ( 0.000 0.000 0.311) 0.311 2.331 ( -0.000 -0.000 0.311) 0.311 3.812 ( 0.000 -0.000 -3.722) 3.722 3.812 ( 0.000 0.000 -3.722) 3.722 3.882 ( -0.000 -0.000 -28.082) 28.082 4.155 ( -0.000 -0.000 -11.288) 11.288 5.181 ( -0.000 -0.000 -13.099) 13.099 5.301 ( 0.000 0.000 0.879) 0.879 5.301 ( -0.000 -0.000 0.879) 0.879 5.537 ( 0.000 0.000 -11.985) 11.985 5.537 ( 0.000 0.000 -11.985) 11.985 5.806 ( 0.000 0.000 25.560) 25.560 5.970 ( 0.000 0.000 -1.109) 1.109 6.198 ( 0.000 0.000 -7.230) 7.230 6.198 ( -0.000 -0.000 -7.230) 7.230 7.017 ( 0.000 0.000 -9.098) 9.098 7.017 ( 0.000 0.000 -9.098) 9.098 7.199 ( 0.000 0.000 4.076) 4.076 7.273 ( 0.000 0.000 -5.365) 5.365 7.467 ( 0.000 0.000 5.407) 5.407 7.905 ( -0.000 -0.000 27.170) 27.170 7.905 ( 0.000 0.000 27.170) 27.170 9.147 ( 0.000 0.000 -4.288) 4.288 9.799 ( 0.000 0.000 -4.543) 4.543 9.799 ( 0.000 0.000 -4.543) 4.543 10.042 ( 0.000 0.000 -9.866) 9.866 10.089 ( 0.000 0.000 -1.599) 1.599 10.089 ( 0.000 0.000 -1.599) 1.599 11.306 ( -0.000 0.000 2.901) 2.901 11.306 ( 0.000 0.000 2.901) 2.901 11.473 ( -0.000 -0.000 -4.853) 4.853 12.180 ( 0.000 0.000 -14.734) 14.734 12.380 ( 0.000 0.000 -2.250) 2.250 12.380 ( 0.000 0.000 -2.250) 2.250 12.777 ( 0.000 0.000 2.322) 2.322 13.319 ( 0.000 0.000 15.286) 15.286 13.358 ( -0.000 -0.000 -2.860) 2.860 13.358 ( 0.000 0.000 -2.860) 2.860 14.818 ( 0.000 0.000 4.196) 4.196 16.192 ( -0.000 -0.000 -0.206) 0.206 19.638 ( 0.000 0.000 -0.045) 0.045 20.942 ( -0.000 -0.000 -0.314) 0.314 20.942 ( 0.000 0.000 -0.314) 0.314 20.983 ( 0.000 0.000 -0.002) 0.002 20.983 ( 0.000 0.000 -0.002) 0.002 22.917 ( 0.000 0.000 -2.008) 2.008 23.534 ( 0.000 0.000 -10.850) 10.850 23.953 ( 0.000 0.000 -0.715) 0.715 25.561 ( 0.000 0.000 12.711) 12.711 27.413 ( 0.000 0.000 1.425) 1.425 ======================= Grid point 82 (17/90) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 20.784 0.000 23.354) 31.263 0.922 ( 20.296 0.000 20.061) 28.537 1.258 ( 12.227 0.000 4.044) 12.879 1.687 ( 50.833 0.000 33.474) 60.865 2.297 ( -3.354 0.000 0.267) 3.365 2.639 ( 17.829 0.000 -8.672) 19.826 3.690 ( -10.317 0.000 -3.466) 10.884 3.938 ( 3.447 0.000 -25.632) 25.863 4.014 ( 13.292 0.000 -7.897) 15.462 4.135 ( 2.629 0.000 -8.875) 9.256 4.543 ( -26.114 0.000 17.759) 31.580 5.124 ( -15.168 0.000 8.747) 17.510 5.228 ( -9.889 0.000 -3.394) 10.456 5.526 ( 2.016 0.000 -13.666) 13.814 5.530 ( -1.258 0.000 -10.257) 10.334 5.836 ( 0.712 0.000 -11.248) 11.270 6.038 ( 16.771 0.000 16.900) 23.810 6.177 ( -1.545 0.000 -6.353) 6.538 6.369 ( 10.573 0.000 -5.220) 11.791 6.882 ( -11.101 0.000 -5.609) 12.437 6.957 ( -4.360 0.000 0.147) 4.363 7.283 ( 7.163 0.000 -4.145) 8.276 7.394 ( 4.342 0.000 -0.727) 4.403 7.452 ( 4.009 0.000 -2.828) 4.906 7.969 ( 6.474 0.000 25.071) 25.893 8.088 ( 10.641 0.000 23.297) 25.612 9.127 ( -2.031 0.000 -4.000) 4.486 9.485 ( -7.223 0.000 1.371) 7.352 9.806 ( 0.187 0.000 -3.826) 3.831 9.895 ( 4.706 0.000 -3.841) 6.075 10.049 ( -3.558 0.000 -1.721) 3.952 11.152 ( -12.696 0.000 0.347) 12.700 11.329 ( 6.168 0.000 -4.358) 7.552 11.481 ( 7.194 0.000 -18.161) 19.534 11.552 ( 5.088 0.000 -1.614) 5.338 12.163 ( -0.222 0.000 -13.461) 13.463 12.270 ( -9.391 0.000 0.024) 9.391 12.829 ( 12.750 0.000 -32.509) 34.920 12.887 ( 9.362 0.000 -0.252) 9.365 13.306 ( 4.839 0.000 -12.547) 13.448 13.376 ( 1.682 0.000 -2.902) 3.355 13.740 ( 39.401 0.000 -9.419) 40.511 14.791 ( -2.328 0.000 4.218) 4.817 15.862 ( -19.638 0.000 21.377) 29.028 19.659 ( 2.736 0.000 -0.507) 2.782 20.899 ( -8.121 0.000 -0.496) 8.136 20.943 ( 0.142 0.000 -0.301) 0.333 20.981 ( -0.212 0.000 -0.008) 0.212 22.448 ( 84.630 0.000 -83.867) 119.147 23.005 ( 9.068 0.000 -2.118) 9.312 23.568 ( 3.466 0.000 -11.214) 11.737 23.961 ( 0.587 0.000 -0.865) 1.045 25.581 ( 2.085 0.000 12.993) 13.159 26.906 ( -35.085 0.000 33.209) 48.310 ======================= Grid point 83 (18/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 18.564 0.000 0.167) 18.565 1.355 ( 31.186 0.000 7.288) 32.026 1.574 ( 20.082 0.000 12.307) 23.553 2.227 ( -3.020 0.000 1.131) 3.225 2.645 ( 44.040 0.000 14.825) 46.469 2.935 ( 16.718 0.000 0.994) 16.747 3.442 ( -15.960 0.000 1.535) 16.034 3.969 ( -7.655 0.000 -15.090) 16.920 4.009 ( 4.520 0.000 -22.973) 23.414 4.171 ( -12.122 0.000 3.378) 12.583 4.515 ( 19.620 0.000 1.065) 19.649 4.824 ( -15.911 0.000 7.599) 17.633 5.033 ( -8.832 0.000 -1.029) 8.891 5.449 ( -8.232 0.000 -2.899) 8.728 5.602 ( 5.575 0.000 -11.958) 13.194 5.892 ( 4.155 0.000 -11.547) 12.272 6.091 ( -4.610 0.000 -7.008) 8.388 6.376 ( 15.083 0.000 12.450) 19.558 6.594 ( 7.542 0.000 -7.293) 10.491 6.727 ( -0.296 0.000 -2.684) 2.700 6.883 ( -3.498 0.000 7.651) 8.412 7.409 ( 3.014 0.000 -0.211) 3.021 7.451 ( 11.018 0.000 -8.964) 14.204 7.637 ( 11.430 0.000 -6.837) 13.319 8.113 ( 7.234 0.000 17.640) 19.066 8.242 ( 4.952 0.000 20.823) 21.403 9.086 ( -1.463 0.000 -1.917) 2.411 9.411 ( -0.712 0.000 -0.719) 1.012 9.751 ( -7.454 0.000 -0.596) 7.477 10.009 ( 6.396 0.000 -3.628) 7.354 10.019 ( 2.106 0.000 -2.787) 3.493 10.880 ( -15.664 0.000 0.021) 15.664 11.253 ( -19.665 0.000 -6.315) 20.654 11.366 ( -5.829 0.000 -1.805) 6.102 11.637 ( 4.056 0.000 0.176) 4.060 12.085 ( -9.552 0.000 1.654) 9.695 12.190 ( 3.886 0.000 -5.524) 6.754 12.779 ( -8.181 0.000 -12.394) 14.851 13.073 ( 9.701 0.000 -2.554) 10.032 13.406 ( 1.154 0.000 -3.112) 3.319 13.439 ( 9.649 0.000 -14.998) 17.834 14.282 ( 12.249 0.000 -19.339) 22.892 14.787 ( 4.742 0.000 6.087) 7.717 15.590 ( -10.817 0.000 23.087) 25.495 19.744 ( 6.420 0.000 -0.720) 6.460 20.690 ( -13.440 0.000 -0.397) 13.446 20.947 ( 0.265 0.000 -0.264) 0.374 20.976 ( -0.361 0.000 -0.031) 0.362 23.217 ( 13.819 0.000 -4.678) 14.589 23.452 ( 28.055 0.000 -61.522) 67.617 23.656 ( 5.688 0.000 -12.340) 13.588 23.964 ( -0.517 0.000 -1.506) 1.592 25.641 ( 4.269 0.000 13.857) 14.500 26.380 ( -21.001 0.000 35.516) 41.261 ======================= Grid point 84 (19/90) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 12.907 0.000 -4.287) 13.601 1.861 ( 4.785 0.000 3.318) 5.823 1.965 ( 32.828 0.000 -1.147) 32.848 2.293 ( 14.290 0.000 8.369) 16.560 2.915 ( -7.385 0.000 -5.527) 9.225 3.096 ( -20.550 0.000 5.426) 21.254 3.450 ( 21.193 0.000 2.821) 21.380 3.901 ( -5.451 0.000 -4.502) 7.070 4.019 ( 10.453 0.000 3.637) 11.068 4.120 ( 7.575 0.000 -15.762) 17.488 4.539 ( -14.202 0.000 1.476) 14.278 4.773 ( 1.036 0.000 4.330) 4.453 4.932 ( 1.211 0.000 -2.417) 2.704 5.241 ( -11.605 0.000 5.479) 12.833 5.724 ( 7.050 0.000 -9.679) 11.974 5.987 ( -6.293 0.000 -7.602) 9.869 5.992 ( 7.169 0.000 -11.733) 13.749 6.449 ( -13.740 0.000 -8.093) 15.946 6.604 ( 9.163 0.000 10.393) 13.856 6.818 ( -3.664 0.000 10.493) 11.114 7.000 ( 18.853 0.000 -4.011) 19.275 7.467 ( -0.851 0.000 -7.671) 7.718 7.704 ( 15.507 0.000 -9.070) 17.965 7.901 ( 16.913 0.000 0.940) 16.939 8.167 ( -3.139 0.000 4.608) 5.575 8.272 ( -1.372 0.000 15.546) 15.606 9.118 ( 5.961 0.000 3.833) 7.087 9.480 ( 8.888 0.000 -1.190) 8.967 9.550 ( -12.786 0.000 3.253) 13.194 10.052 ( -5.829 0.000 -3.286) 6.692 10.123 ( 8.265 0.000 -2.470) 8.626 10.583 ( -15.355 0.000 -0.093) 15.355 10.892 ( -12.224 0.000 -3.230) 12.644 11.165 ( -14.394 0.000 -2.911) 14.686 11.712 ( 4.203 0.000 1.136) 4.354 11.923 ( -7.531 0.000 1.973) 7.785 12.308 ( 7.856 0.000 -2.145) 8.144 12.620 ( -8.447 0.000 -8.470) 11.962 13.238 ( 7.587 0.000 -3.529) 8.367 13.407 ( -1.306 0.000 -3.454) 3.693 13.682 ( 15.720 0.000 -15.847) 22.321 14.257 ( -10.264 0.000 -15.637) 18.704 14.980 ( 12.783 0.000 10.389) 16.472 15.405 ( -9.662 0.000 20.169) 22.364 19.903 ( 10.525 0.000 -0.684) 10.547 20.415 ( -15.273 0.000 -0.424) 15.278 20.953 ( 0.358 0.000 -0.205) 0.413 20.968 ( -0.423 0.000 -0.075) 0.430 23.476 ( 13.114 0.000 -5.291) 14.141 23.718 ( 3.885 0.000 -29.591) 29.845 23.783 ( 6.639 0.000 -19.445) 20.548 23.933 ( -2.730 0.000 -5.003) 5.699 25.740 ( 6.265 0.000 16.015) 17.197 26.073 ( -12.661 0.000 27.335) 30.125 ======================= Grid point 85 (20/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -7.970 0.000 -2.783) 8.442 1.800 ( 7.970 0.000 -2.783) 8.442 2.550 ( -27.850 0.000 -5.747) 28.437 2.550 ( 27.850 0.000 -5.747) 28.437 2.681 ( -22.983 0.000 8.849) 24.627 2.681 ( 22.983 0.000 8.849) 24.627 3.702 ( -11.358 0.000 -4.406) 12.182 3.702 ( 11.358 0.000 -4.406) 12.182 4.298 ( -11.259 0.000 -6.834) 13.171 4.298 ( 11.259 0.000 -6.834) 13.171 4.483 ( -25.484 0.000 7.087) 26.451 4.483 ( 25.484 0.000 7.087) 26.451 5.067 ( -8.079 0.000 4.255) 9.131 5.067 ( 8.079 0.000 4.255) 9.131 5.859 ( -7.157 0.000 -8.277) 10.942 5.859 ( 7.157 0.000 -8.277) 10.942 6.182 ( -13.063 0.000 -10.542) 16.787 6.182 ( 13.063 0.000 -10.542) 16.787 6.736 ( -5.347 0.000 10.393) 11.688 6.736 ( 5.347 0.000 10.393) 11.688 7.321 ( -13.780 0.000 -6.530) 15.249 7.321 ( 13.780 0.000 -6.530) 15.249 7.994 ( -13.881 0.000 -5.368) 14.883 7.994 ( 13.881 0.000 -5.368) 14.883 8.177 ( -9.912 0.000 7.879) 12.662 8.177 ( 9.912 0.000 7.879) 12.662 9.303 ( -12.554 0.000 6.156) 13.982 9.303 ( 12.554 0.000 6.156) 13.982 9.761 ( -19.707 0.000 -2.299) 19.840 9.761 ( 19.707 0.000 -2.299) 19.840 10.319 ( -12.457 0.000 -1.142) 12.509 10.319 ( 12.457 0.000 -1.142) 12.509 10.906 ( -10.656 0.000 -2.507) 10.946 10.906 ( 10.656 0.000 -2.507) 10.946 11.802 ( -5.474 0.000 1.705) 5.733 11.802 ( 5.474 0.000 1.705) 5.733 12.462 ( -8.330 0.000 -4.625) 9.528 12.462 ( 8.330 0.000 -4.625) 9.528 13.353 ( -4.527 0.000 -3.695) 5.844 13.353 ( 4.527 0.000 -3.695) 5.844 13.994 ( -16.388 0.000 -15.877) 22.818 13.994 ( 16.388 0.000 -15.877) 22.818 15.210 ( -11.302 0.000 15.980) 19.573 15.210 ( 11.302 0.000 15.980) 19.573 20.136 ( -13.967 0.000 -0.549) 13.978 20.136 ( 13.967 0.000 -0.549) 13.978 20.960 ( -0.415 0.000 -0.137) 0.437 20.960 ( 0.415 0.000 -0.137) 0.437 23.679 ( -7.507 0.000 -12.593) 14.660 23.679 ( 7.507 0.000 -12.593) 14.660 23.873 ( -3.641 0.000 -13.672) 14.149 23.873 ( 3.641 0.000 -13.672) 14.149 25.878 ( -8.579 0.000 20.407) 22.137 25.878 ( 8.579 0.000 20.407) 22.137 ======================= Grid point 91 (21/90) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 15.308 15.308 18.457) 28.449 1.196 ( 20.857 20.857 20.684) 36.025 1.317 ( 12.554 12.554 -2.932) 17.995 2.101 ( 36.619 36.619 25.409) 57.685 2.323 ( -0.396 -0.396 0.650) 0.858 2.743 ( 11.704 11.704 -6.057) 17.625 3.790 ( -1.261 -1.261 -10.401) 10.553 3.920 ( 3.963 3.963 -3.719) 6.726 4.034 ( 1.143 1.143 -17.297) 17.372 4.137 ( 4.460 4.460 -12.217) 13.750 4.356 ( -13.459 -13.459 12.257) 22.639 5.027 ( -9.222 -9.222 12.218) 17.871 5.135 ( -9.202 -9.202 -5.444) 14.106 5.527 ( -0.733 -0.733 -13.910) 13.949 5.540 ( 1.882 1.882 -8.857) 9.248 5.821 ( 0.567 0.567 -11.385) 11.413 6.186 ( 12.613 12.613 13.729) 22.509 6.326 ( 7.058 7.058 -5.340) 11.320 6.334 ( 2.885 2.885 -4.671) 6.202 6.708 ( -10.169 -10.169 0.143) 14.382 7.088 ( 3.890 3.890 -6.886) 8.813 7.238 ( 0.909 0.909 1.894) 2.290 7.397 ( -1.713 -1.713 -0.215) 2.432 7.533 ( 8.746 8.746 -8.049) 14.757 8.042 ( 5.570 5.570 24.270) 25.516 8.164 ( 7.422 7.422 21.840) 24.231 9.116 ( -1.091 -1.091 -3.681) 3.992 9.446 ( -3.003 -3.003 0.339) 4.261 9.784 ( -0.857 -0.857 -3.386) 3.597 9.894 ( 1.199 1.199 -3.878) 4.232 10.053 ( -1.918 -1.918 -1.195) 2.964 11.115 ( -9.743 -9.743 1.769) 13.892 11.133 ( -9.520 -9.520 -1.682) 13.569 11.431 ( -1.928 -1.928 -13.049) 13.331 11.809 ( 15.021 15.021 0.935) 21.263 11.871 ( -18.586 -18.586 -4.518) 26.670 12.207 ( -2.790 -2.790 -6.208) 7.355 12.857 ( 4.537 4.537 -4.177) 7.656 13.248 ( -4.401 -4.401 -4.186) 7.501 13.347 ( 4.390 4.390 -6.744) 9.166 13.647 ( 25.787 25.787 -55.672) 66.554 13.752 ( 13.761 13.761 13.433) 23.647 14.759 ( -3.031 -3.031 3.863) 5.771 15.726 ( -10.587 -10.587 23.789) 28.109 19.648 ( 0.705 0.705 -0.114) 1.003 20.822 ( -7.466 -7.466 -0.746) 10.584 20.966 ( 0.380 0.380 0.694) 0.878 20.970 ( -0.530 -0.530 -0.512) 0.908 23.010 ( 40.750 40.750 -81.318) 99.669 23.087 ( 8.376 8.376 -2.068) 12.025 23.603 ( 3.564 3.564 -11.540) 12.593 23.970 ( 0.823 0.823 -1.052) 1.569 25.599 ( 1.975 1.975 13.199) 13.491 26.658 ( -20.338 -20.338 37.365) 47.153 ======================= Grid point 92 (22/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 16.119 3.381 8.252) 18.421 1.611 ( 24.972 20.700 6.154) 33.014 1.714 ( 23.687 14.731 4.337) 28.229 2.275 ( -2.884 3.587 1.742) 4.922 2.766 ( 24.323 8.047 3.526) 25.861 3.109 ( 29.953 21.876 9.860) 38.379 3.590 ( -15.518 11.376 0.293) 19.243 3.973 ( -4.569 0.718 -15.534) 16.208 3.997 ( 1.143 -0.960 -13.829) 13.909 4.111 ( -10.338 -5.081 1.741) 11.650 4.400 ( 12.657 -9.459 -2.554) 16.006 4.850 ( -6.746 1.389 9.924) 12.080 4.952 ( -7.959 -8.303 -4.229) 12.255 5.461 ( -7.083 0.451 -7.761) 10.517 5.606 ( 4.943 0.592 -8.827) 10.134 5.854 ( 1.940 -1.146 -9.404) 9.670 6.238 ( -4.017 12.568 -5.656) 14.356 6.474 ( 13.149 7.985 10.034) 18.366 6.530 ( -3.715 -5.129 -2.239) 6.717 6.623 ( 13.414 -3.517 -2.347) 14.065 7.071 ( -2.596 12.805 1.959) 13.211 7.347 ( 6.395 -5.135 0.374) 8.210 7.435 ( 8.678 -1.245 -9.932) 13.248 7.707 ( 9.691 6.500 -6.483) 13.349 8.160 ( 6.206 4.448 18.739) 20.235 8.286 ( 3.970 4.165 18.651) 19.519 9.097 ( -0.385 1.076 -1.629) 1.990 9.415 ( 0.742 0.498 -0.905) 1.272 9.768 ( -6.253 0.870 -0.837) 6.368 9.852 ( -1.285 -7.257 -2.905) 7.921 10.068 ( 4.028 -3.376 -2.490) 5.816 10.799 ( -17.511 -7.359 0.761) 19.009 11.055 ( -5.139 -21.960 0.688) 22.564 11.242 ( -18.730 -1.189 -5.079) 19.443 11.605 ( -6.939 -26.272 -4.030) 27.470 11.962 ( -5.133 16.448 -0.627) 17.242 12.272 ( 14.391 7.755 -1.751) 16.441 12.950 ( 4.131 1.582 -5.001) 6.677 13.185 ( -1.366 -7.045 -6.094) 9.414 13.345 ( -2.311 17.528 -8.994) 19.836 13.717 ( 3.306 22.234 -12.808) 25.871 14.261 ( 15.702 -2.271 -15.483) 22.168 14.728 ( 2.908 -5.707 5.594) 8.504 15.544 ( -8.716 -4.273 22.821) 24.800 19.709 ( 5.771 -2.236 -0.372) 6.200 20.627 ( -12.786 -6.435 -0.514) 14.323 20.955 ( -0.594 -0.341 -0.366) 0.776 20.967 ( -0.438 -0.402 0.467) 0.756 23.293 ( 12.830 7.536 -2.868) 15.154 23.589 ( 19.416 12.039 -56.751) 61.177 23.694 ( 5.987 3.891 -12.833) 14.686 23.980 ( -0.085 1.495 -1.854) 2.383 25.655 ( 3.984 1.573 13.943) 14.586 26.301 ( -16.279 -7.459 33.750) 38.206 ======================= Grid point 93 (23/90) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 14.546 1.126 1.025) 14.626 1.949 ( 2.229 8.549 2.547) 9.195 2.164 ( 26.714 18.277 -4.424) 32.670 2.358 ( 15.932 6.232 8.931) 19.299 2.982 ( 0.095 5.758 -4.766) 7.475 3.248 ( -19.949 12.868 4.866) 24.232 3.560 ( 7.069 11.389 -1.403) 13.477 3.869 ( -10.493 -4.289 -3.262) 11.795 4.062 ( 20.190 6.708 4.033) 21.654 4.090 ( 6.090 -2.380 -11.324) 13.077 4.421 ( -7.197 -9.775 2.324) 12.359 4.812 ( -5.137 1.437 4.108) 6.732 4.915 ( 6.763 -1.629 -3.284) 7.693 5.269 ( -11.772 1.892 0.304) 11.927 5.714 ( 6.304 -1.174 -9.455) 11.424 5.877 ( 0.115 -4.003 -9.060) 9.905 6.171 ( -2.047 11.945 -6.361) 13.687 6.380 ( -9.717 -2.538 -3.177) 10.534 6.694 ( 9.369 8.312 8.630) 15.210 6.894 ( 6.122 2.632 -1.682) 6.873 7.054 ( 7.030 7.489 3.098) 10.729 7.430 ( -0.083 -4.000 -7.127) 8.173 7.708 ( 17.980 0.475 -8.927) 20.080 7.920 ( 13.306 2.572 -0.566) 13.564 8.214 ( -2.016 5.108 5.720) 7.929 8.309 ( -0.813 3.769 14.897) 15.388 9.121 ( 3.522 0.553 3.567) 5.043 9.497 ( 1.245 -0.966 -1.580) 2.232 9.546 ( -5.993 1.361 2.942) 6.814 9.922 ( 4.947 -9.587 -1.452) 10.886 10.104 ( -2.258 -5.363 -3.709) 6.901 10.472 ( -17.210 -10.083 1.425) 19.997 10.871 ( -13.328 -7.795 -2.482) 15.638 10.944 ( -8.058 -19.476 0.848) 21.095 11.560 ( 0.942 -17.594 -2.650) 17.817 11.786 ( -10.311 6.524 -0.600) 12.217 12.575 ( 14.958 22.537 -1.131) 27.073 12.954 ( -4.363 14.723 -6.668) 16.741 13.213 ( 3.652 -8.995 -6.391) 11.623 13.303 ( -1.567 6.121 -3.517) 7.232 13.840 ( 9.696 12.593 -14.292) 21.374 14.282 ( -8.572 2.410 -14.867) 17.330 14.923 ( 14.157 -5.909 11.160) 18.971 15.378 ( -9.493 -2.800 20.164) 22.462 19.861 ( 10.280 -3.588 -0.511) 10.900 20.362 ( -14.835 -5.287 -0.445) 15.755 20.947 ( -0.180 -1.240 -0.274) 1.283 20.957 ( -0.583 -0.973 0.301) 1.173 23.538 ( 12.461 6.239 -4.487) 14.640 23.770 ( 3.280 4.974 -25.142) 25.838 23.827 ( 5.632 4.391 -21.568) 22.719 23.958 ( -2.227 2.457 -5.908) 6.775 25.748 ( 5.796 0.828 15.938) 16.979 26.048 ( -10.998 -2.487 26.235) 28.556 ======================= Grid point 94 (24/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -10.110 3.622 -0.634) 10.758 1.841 ( 10.110 3.622 -0.634) 10.758 2.593 ( -9.188 7.677 -1.498) 12.066 2.593 ( 9.188 7.677 -1.498) 12.066 2.902 ( -9.141 17.168 3.679) 19.795 2.902 ( 9.141 17.168 3.679) 19.795 3.674 ( -8.907 -2.411 -4.420) 10.232 3.674 ( 8.907 -2.411 -4.420) 10.232 4.223 ( -8.054 -6.226 -4.087) 10.970 4.223 ( 8.054 -6.226 -4.087) 10.970 4.562 ( -20.866 7.327 5.787) 22.860 4.562 ( 20.866 7.327 5.787) 22.860 5.076 ( -8.923 0.001 1.428) 9.037 5.076 ( 8.923 0.001 1.428) 9.037 5.830 ( -5.195 -3.425 -9.352) 11.233 5.830 ( 5.195 -3.425 -9.352) 11.233 6.210 ( -6.623 5.547 -5.700) 10.350 6.210 ( 6.623 5.547 -5.700) 10.350 6.839 ( -6.272 8.947 6.562) 12.745 6.839 ( 6.272 8.947 6.562) 12.745 7.304 ( -12.446 -1.910 -5.530) 13.752 7.304 ( 12.446 -1.910 -5.530) 13.752 8.004 ( -10.915 1.431 -4.879) 12.042 8.004 ( 10.915 1.431 -4.879) 12.042 8.229 ( -7.896 5.323 6.709) 11.648 8.229 ( 7.896 5.323 6.709) 11.648 9.260 ( -11.677 -3.802 5.903) 13.626 9.260 ( 11.677 -3.802 5.903) 13.626 9.795 ( -16.891 2.462 -1.899) 17.175 9.795 ( 16.891 2.462 -1.899) 17.175 10.179 ( -12.374 -12.608 -0.875) 17.687 10.179 ( 12.374 -12.608 -0.875) 17.687 10.811 ( -4.717 -14.653 0.038) 15.393 10.811 ( 4.717 -14.653 0.038) 15.393 11.627 ( -6.132 -5.061 -1.135) 8.032 11.627 ( 6.132 -5.061 -1.135) 8.032 12.811 ( -10.215 24.622 -4.610) 27.052 12.811 ( 10.215 24.622 -4.610) 27.052 13.274 ( -2.221 -5.658 -3.142) 6.842 13.274 ( 2.221 -5.658 -3.142) 6.842 14.063 ( -13.055 6.237 -15.806) 21.428 14.063 ( 13.055 6.237 -15.806) 21.428 15.175 ( -12.161 -3.577 16.414) 20.739 15.175 ( 12.161 -3.577 16.414) 20.739 20.089 ( -13.702 -4.404 -0.488) 14.401 20.089 ( 13.702 -4.404 -0.488) 14.401 20.948 ( -0.286 -1.436 0.002) 1.464 20.948 ( 0.286 -1.436 0.002) 1.464 23.731 ( -7.202 5.201 -11.310) 14.381 23.731 ( 7.202 5.201 -11.310) 14.381 23.906 ( -3.355 3.221 -14.342) 15.078 23.906 ( 3.355 3.221 -14.342) 15.078 25.874 ( -7.801 -0.344 19.976) 21.448 25.874 ( 7.801 -0.344 19.976) 21.448 ======================= Grid point 101 (25/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 10.178 10.178 8.207) 16.570 1.979 ( 16.976 16.976 10.017) 26.013 2.116 ( 25.070 25.070 -5.696) 35.908 2.317 ( 1.901 1.901 4.315) 5.084 2.915 ( 8.694 8.694 -2.899) 12.632 3.653 ( -6.437 -6.437 -1.941) 9.309 3.674 ( 30.665 30.665 10.541) 44.630 3.929 ( -4.248 -4.248 -1.191) 6.124 3.998 ( -0.225 -0.225 -13.196) 13.199 4.063 ( -1.051 -1.051 3.303) 3.622 4.266 ( -2.770 -2.770 -6.203) 7.337 4.764 ( -9.210 -9.210 -7.020) 14.797 4.882 ( 2.944 2.944 8.694) 9.639 5.419 ( -5.692 -5.692 -12.739) 15.070 5.648 ( 3.789 3.789 -3.362) 6.325 5.844 ( -1.100 -1.100 -7.078) 7.247 6.439 ( 2.799 2.799 -6.269) 7.414 6.500 ( 1.613 1.613 0.227) 2.293 6.583 ( 9.713 9.713 -1.937) 13.872 6.706 ( 10.674 10.674 4.411) 15.726 7.267 ( 0.395 0.395 5.233) 5.263 7.270 ( 2.586 2.586 -0.692) 3.722 7.463 ( 8.107 8.107 -13.634) 17.814 7.848 ( 7.972 7.972 -5.940) 12.743 8.272 ( 7.253 7.253 17.848) 20.585 8.360 ( 2.665 2.665 14.787) 15.260 9.128 ( 2.191 2.191 -0.470) 3.134 9.430 ( 1.053 1.053 -2.288) 2.730 9.726 ( -2.393 -2.393 -1.060) 3.547 9.763 ( -9.251 -9.251 -2.023) 13.239 9.950 ( -3.287 -3.287 -0.017) 4.649 10.621 ( -15.687 -15.687 1.008) 22.208 10.643 ( -16.654 -16.654 4.303) 23.942 11.051 ( -23.226 -23.226 -2.503) 32.942 11.338 ( 3.064 3.064 -5.195) 6.765 12.104 ( -2.902 -2.902 -3.155) 5.176 12.589 ( 24.283 24.283 0.571) 34.346 12.936 ( -1.250 -1.250 -6.706) 6.935 13.051 ( -4.602 -4.602 -1.880) 6.775 13.579 ( 7.129 7.129 -16.567) 19.393 14.123 ( 5.135 5.135 -32.768) 33.563 14.268 ( 13.012 13.012 17.436) 25.350 14.613 ( -4.253 -4.253 2.342) 6.455 15.446 ( -6.190 -6.190 21.667) 23.369 19.707 ( 2.547 2.547 -0.191) 3.606 20.461 ( -10.878 -10.878 -0.489) 15.392 20.929 ( -1.676 -1.676 -0.325) 2.392 20.956 ( -1.209 -1.209 0.749) 1.867 23.476 ( 11.276 11.276 -2.337) 16.117 23.777 ( 6.236 6.236 -20.959) 22.739 23.817 ( 8.797 8.797 -35.431) 37.552 24.009 ( 1.164 1.164 -3.292) 3.680 25.700 ( 3.123 3.123 14.419) 15.080 26.142 ( -8.727 -8.727 29.045) 31.559 ======================= Grid point 102 (26/90) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 13.308 5.823 4.921) 15.337 2.087 ( -5.334 4.150 2.160) 7.095 2.520 ( 19.059 11.725 9.817) 24.436 2.576 ( 22.274 23.381 -6.493) 32.938 3.077 ( 7.407 3.964 -3.589) 9.135 3.420 ( -16.042 2.395 4.662) 16.877 3.726 ( -8.016 -4.010 -3.947) 9.793 3.845 ( -12.420 9.874 -8.718) 18.104 4.043 ( 0.735 -1.762 -2.583) 3.212 4.191 ( -2.225 -5.221 1.635) 5.906 4.372 ( 24.975 16.306 8.067) 30.898 4.710 ( 3.600 -11.460 -7.449) 14.134 4.949 ( 2.967 5.002 6.058) 8.398 5.246 ( -11.919 -5.786 -6.317) 14.678 5.725 ( 3.859 3.350 -6.125) 7.977 5.819 ( -1.175 -2.093 -7.564) 7.935 6.431 ( -2.108 14.833 -5.383) 15.919 6.470 ( -2.823 11.795 -2.287) 12.342 6.849 ( 11.942 4.984 3.143) 13.317 6.915 ( 11.617 3.600 -4.263) 12.887 7.212 ( -3.118 6.222 6.748) 9.694 7.322 ( 0.528 -6.976 -6.176) 9.332 7.762 ( 20.770 7.072 -8.771) 23.629 8.004 ( 8.498 6.134 -2.553) 10.787 8.344 ( -1.936 6.856 7.683) 10.478 8.415 ( 3.931 8.539 12.583) 15.707 9.152 ( -0.514 2.935 3.180) 4.357 9.392 ( -11.014 -10.075 -3.769) 15.396 9.597 ( 3.448 2.396 3.014) 5.168 9.743 ( 4.856 -9.341 0.072) 10.528 9.942 ( -1.962 -8.987 -1.780) 9.370 10.247 ( -18.097 -13.679 4.801) 23.188 10.443 ( -8.861 -26.269 1.195) 27.749 10.613 ( -20.453 -21.096 -0.298) 29.384 11.479 ( 10.314 6.470 -4.092) 12.844 11.945 ( -12.115 7.439 -2.389) 14.416 12.934 ( 1.505 -5.503 -6.600) 8.724 12.999 ( -1.755 -6.005 -3.030) 6.951 13.059 ( 23.276 19.907 -0.484) 30.631 13.622 ( -3.601 16.414 -15.169) 22.639 14.103 ( 0.652 13.615 -15.415) 20.577 14.349 ( -6.905 5.792 -6.659) 11.206 14.773 ( 17.649 -9.315 13.153) 23.900 15.301 ( -9.486 -5.437 19.958) 22.757 19.808 ( 7.996 -1.301 -0.263) 8.105 20.233 ( -12.847 -7.970 -0.391) 15.123 20.904 ( -0.752 -2.853 -0.112) 2.952 20.927 ( -1.619 -2.339 0.580) 2.903 23.689 ( 10.688 9.162 -3.301) 14.459 23.877 ( 3.710 5.833 -18.685) 19.922 23.926 ( 2.936 5.366 -21.109) 21.977 24.013 ( -0.813 2.951 -8.828) 9.344 25.771 ( 4.474 1.712 15.906) 16.612 25.990 ( -7.295 -3.515 23.546) 24.900 ======================= Grid point 103 (27/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -11.780 3.762 2.535) 12.623 1.913 ( 11.780 3.762 2.535) 12.623 2.814 ( -4.285 13.906 0.862) 14.577 2.814 ( 4.285 13.906 0.862) 14.577 3.167 ( -5.864 8.431 1.340) 10.357 3.167 ( 5.864 8.431 1.340) 10.357 3.654 ( -3.411 1.461 -5.659) 6.767 3.654 ( 3.411 1.461 -5.659) 6.767 4.100 ( -4.862 -6.026 -0.005) 7.743 4.100 ( 4.862 -6.026 -0.005) 7.743 4.722 ( -8.754 6.816 -0.133) 11.095 4.722 ( 8.754 6.816 -0.133) 11.095 5.030 ( -8.749 -4.036 1.463) 9.745 5.030 ( 8.749 -4.036 1.463) 9.745 5.787 ( -2.604 0.749 -7.957) 8.405 5.787 ( 2.604 0.749 -7.957) 8.405 6.418 ( -1.429 15.552 -3.980) 16.117 6.418 ( 1.429 15.552 -3.980) 16.117 7.001 ( -4.343 7.001 0.858) 8.283 7.001 ( 4.343 7.001 0.858) 8.283 7.252 ( -6.964 -3.391 -2.189) 8.049 7.252 ( 6.964 -3.391 -2.189) 8.049 8.072 ( -6.939 6.493 -3.860) 10.257 8.072 ( 6.939 6.493 -3.860) 10.257 8.366 ( -7.455 8.792 4.445) 12.355 8.366 ( 7.455 8.792 4.445) 12.355 9.183 ( -6.872 -4.375 5.805) 10.004 9.183 ( 6.872 -4.375 5.805) 10.004 9.793 ( -12.131 -5.127 -2.789) 13.462 9.793 ( 12.131 -5.127 -2.789) 13.462 9.936 ( -15.320 -10.137 2.304) 18.514 9.936 ( 15.320 -10.137 2.304) 18.514 10.379 ( -4.082 -26.664 2.178) 27.062 10.379 ( 4.082 -26.664 2.178) 27.062 11.701 ( -12.903 9.116 -2.915) 16.065 11.701 ( 12.903 9.116 -2.915) 16.065 12.967 ( -1.817 -7.666 -5.036) 9.351 12.967 ( 1.817 -7.666 -5.036) 9.351 13.433 ( -15.700 21.674 -5.446) 27.312 13.433 ( 15.700 21.674 -5.446) 27.312 14.193 ( -7.909 7.113 -13.821) 17.440 14.193 ( 7.909 7.113 -13.821) 17.440 15.080 ( -14.162 -6.380 17.451) 23.363 15.080 ( 14.162 -6.380 17.451) 23.363 19.997 ( -11.768 -4.751 -0.330) 12.696 19.997 ( 11.768 -4.751 -0.330) 12.696 20.904 ( -0.697 -3.121 0.228) 3.206 20.904 ( 0.697 -3.121 0.228) 3.206 23.853 ( -5.972 6.966 -8.254) 12.342 23.853 ( 5.972 6.966 -8.254) 12.342 23.980 ( -2.668 4.260 -15.872) 16.650 23.980 ( 2.668 4.260 -15.872) 16.650 25.867 ( -5.751 -0.341 18.947) 19.803 25.867 ( 5.751 -0.341 18.947) 19.803 ======================= Grid point 111 (28/90) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.681 8.681 5.151) 13.314 2.088 ( -3.530 -3.530 3.144) 5.900 2.778 ( 15.158 15.158 9.983) 23.647 2.991 ( 18.105 18.105 -7.127) 26.578 3.148 ( 4.112 4.112 -3.412) 6.742 3.341 ( -8.678 -8.678 7.821) 14.552 3.621 ( -4.084 -4.084 -4.194) 7.138 3.895 ( -7.184 -7.184 -8.490) 13.240 4.015 ( -0.267 -0.267 1.112) 1.175 4.180 ( 1.303 1.303 -0.840) 2.025 4.480 ( -3.169 -3.169 -7.513) 8.748 4.718 ( 10.276 10.276 -0.312) 14.536 5.040 ( 3.394 3.394 6.967) 8.460 5.077 ( -8.791 -8.791 -0.022) 12.433 5.812 ( 4.444 4.444 -6.596) 9.111 5.821 ( 2.190 2.190 -8.165) 8.733 6.663 ( 7.133 7.133 -5.847) 11.660 6.693 ( 7.822 7.822 -3.753) 11.682 6.924 ( 7.635 7.635 -5.337) 12.045 7.038 ( 6.284 6.284 0.587) 8.906 7.208 ( -3.753 -3.753 -5.776) 7.844 7.251 ( -1.406 -1.406 6.852) 7.134 8.010 ( 18.506 18.506 -7.256) 27.158 8.139 ( 7.812 7.812 -0.753) 11.074 8.409 ( 0.599 0.599 9.153) 9.192 8.633 ( 11.416 11.416 7.777) 17.920 9.106 ( -16.614 -16.614 -5.320) 24.091 9.213 ( -0.496 -0.496 3.852) 3.916 9.597 ( -4.104 -4.104 -0.688) 5.844 9.627 ( 1.278 1.278 5.522) 5.810 9.837 ( -2.333 -2.333 1.887) 3.802 9.971 ( -15.984 -15.984 4.721) 23.092 10.028 ( -13.706 -13.706 0.932) 19.406 10.222 ( -19.343 -19.343 -0.027) 27.356 11.664 ( 11.389 11.389 -3.697) 16.526 11.999 ( -2.406 -2.406 -2.390) 4.158 12.803 ( -3.674 -3.674 -5.554) 7.606 12.885 ( -5.330 -5.330 -3.677) 8.387 13.494 ( 21.208 21.208 -4.463) 30.323 13.824 ( 5.213 5.213 -21.732) 22.948 14.245 ( 3.067 3.067 -18.260) 18.768 14.472 ( -2.904 -2.904 1.059) 4.241 14.686 ( 8.561 8.561 19.183) 22.684 15.165 ( -9.316 -9.316 19.417) 23.464 19.826 ( 3.301 3.301 -0.155) 4.671 20.075 ( -8.524 -8.524 -0.259) 12.058 20.856 ( -1.849 -1.849 0.094) 2.616 20.878 ( -2.554 -2.554 0.559) 3.655 23.856 ( 7.954 7.954 -2.868) 11.609 23.971 ( 3.335 3.335 -14.983) 15.708 24.005 ( 2.884 2.884 -15.087) 15.629 24.054 ( 1.115 1.115 -14.114) 14.201 25.811 ( 2.471 2.471 16.419) 16.787 25.923 ( -3.417 -3.417 20.461) 21.024 ======================= Grid point 112 (29/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -7.956 2.528 4.167) 9.330 1.975 ( 7.956 2.528 4.167) 9.330 3.053 ( -12.039 10.113 6.309) 16.941 3.053 ( 12.039 10.113 6.309) 16.941 3.223 ( -3.006 -0.262 -0.937) 3.160 3.223 ( 3.006 -0.262 -0.937) 3.160 3.692 ( -11.504 -0.287 -7.185) 13.567 3.692 ( 11.504 -0.287 -7.185) 13.567 4.071 ( -6.506 5.493 0.226) 8.518 4.071 ( 6.506 5.493 0.226) 8.518 4.643 ( -13.184 -13.544 -9.312) 21.071 4.643 ( 13.184 -13.544 -9.312) 21.071 5.052 ( -2.101 4.783 8.766) 10.204 5.052 ( 2.101 4.783 8.766) 10.204 5.856 ( -0.391 5.037 -7.897) 9.375 5.856 ( 0.391 5.037 -7.897) 9.375 6.729 ( -1.835 14.885 -4.864) 15.766 6.729 ( 1.835 14.885 -4.864) 15.766 7.076 ( -4.637 1.075 -6.940) 8.415 7.076 ( 4.637 1.075 -6.940) 8.415 7.199 ( -2.769 -1.524 3.724) 4.885 7.199 ( 2.769 -1.524 3.724) 4.885 8.254 ( -2.207 12.126 0.303) 12.329 8.254 ( 2.207 12.126 0.303) 12.329 8.531 ( -18.506 7.731 0.956) 20.079 8.531 ( 18.506 7.731 0.956) 20.079 9.073 ( -12.021 -8.108 3.980) 15.036 9.073 ( 12.021 -8.108 3.980) 15.036 9.616 ( -5.206 -9.363 1.589) 10.830 9.616 ( 5.206 -9.363 1.589) 10.830 9.823 ( -3.960 -4.730 2.041) 6.498 9.823 ( 3.960 -4.730 2.041) 6.498 9.941 ( -6.814 -17.090 2.409) 18.556 9.941 ( 6.814 -17.090 2.409) 18.556 11.872 ( -9.945 7.579 -2.897) 12.835 11.872 ( 9.945 7.579 -2.897) 12.835 12.804 ( -2.890 -7.444 -4.713) 9.272 12.804 ( 2.890 -7.444 -4.713) 9.272 13.794 ( -9.273 14.174 -15.341) 22.852 13.794 ( 9.273 14.174 -15.341) 22.852 14.327 ( -7.076 7.003 -5.562) 11.404 14.327 ( 7.076 7.003 -5.562) 11.404 14.946 ( -13.882 -7.319 18.605) 24.340 14.946 ( 13.882 -7.319 18.605) 24.340 19.926 ( -6.991 -2.634 -0.163) 7.473 19.926 ( 6.991 -2.634 -0.163) 7.473 20.845 ( -0.679 -2.712 0.342) 2.817 20.845 ( 0.679 -2.712 0.342) 2.817 23.968 ( -3.465 4.734 -4.964) 7.685 23.968 ( 3.465 4.734 -4.964) 7.685 24.050 ( -1.567 2.776 -17.598) 17.885 24.050 ( 1.567 2.776 -17.598) 17.885 25.863 ( -3.001 -0.138 17.926) 18.176 25.863 ( 3.001 -0.138 17.926) 18.176 ======================= Grid point 125 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.000 0.000 4.585) 4.585 2.000 ( 0.000 0.000 4.585) 4.585 3.148 ( -0.000 -0.000 11.217) 11.217 3.148 ( -0.000 -0.000 11.217) 11.217 3.223 ( -0.000 -0.000 -2.868) 2.868 3.223 ( 0.000 0.000 -2.868) 2.868 3.663 ( -0.000 -0.000 -6.860) 6.860 3.663 ( 0.000 0.000 -6.860) 6.860 4.229 ( 0.000 0.000 -2.082) 2.082 4.229 ( 0.000 0.000 -2.082) 2.082 4.414 ( -0.000 -0.000 -9.452) 9.452 4.414 ( -0.000 -0.000 -9.452) 9.452 5.103 ( 0.000 0.000 8.330) 8.330 5.103 ( 0.000 0.000 8.330) 8.330 5.914 ( 0.000 0.000 -8.270) 8.270 5.914 ( -0.000 -0.000 -8.270) 8.270 6.879 ( 0.000 0.000 -5.134) 5.134 6.879 ( 0.000 0.000 -5.134) 5.134 7.084 ( -0.000 -0.000 -9.653) 9.653 7.084 ( 0.000 0.000 -9.653) 9.653 7.187 ( 0.000 0.000 4.851) 4.851 7.187 ( 0.000 0.000 4.851) 4.851 8.422 ( -0.000 -0.000 7.913) 7.913 8.422 ( 0.000 0.000 7.913) 7.913 8.611 ( -0.000 -0.000 -3.828) 3.828 8.611 ( 0.000 0.000 -3.828) 3.828 8.945 ( 0.000 0.000 -0.253) 0.253 8.945 ( 0.000 0.000 -0.253) 0.253 9.517 ( -0.000 -0.000 5.179) 5.179 9.517 ( 0.000 0.000 5.179) 5.179 9.760 ( 0.000 0.000 1.495) 1.495 9.760 ( 0.000 0.000 1.495) 1.495 9.793 ( -0.000 -0.000 2.890) 2.890 9.793 ( 0.000 0.000 2.890) 2.890 11.949 ( 0.000 0.000 -2.658) 2.658 11.949 ( 0.000 0.000 -2.658) 2.658 12.728 ( 0.000 0.000 -4.936) 4.936 12.728 ( -0.000 -0.000 -4.936) 4.936 13.928 ( 0.000 0.000 -23.155) 23.155 13.928 ( -0.000 -0.000 -23.155) 23.155 14.414 ( -0.000 -0.000 1.440) 1.440 14.414 ( 0.000 0.000 1.440) 1.440 14.857 ( 0.000 0.000 19.387) 19.387 14.857 ( 0.000 0.000 19.387) 19.387 19.901 ( -0.000 -0.000 -0.089) 0.089 19.901 ( 0.000 0.000 -0.089) 0.089 20.817 ( 0.000 0.000 0.363) 0.363 20.817 ( 0.000 0.000 0.363) 0.363 24.015 ( 0.000 0.000 -3.180) 3.180 24.015 ( 0.000 0.000 -3.180) 3.180 24.077 ( 0.000 0.000 -18.727) 18.727 24.077 ( -0.000 -0.000 -18.727) 18.727 25.862 ( 0.000 0.000 17.505) 17.505 25.862 ( 0.000 0.000 17.505) 17.505 ======================= Grid point 162 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 0.023) 0.023 1.338 ( 0.000 0.000 31.205) 31.205 1.338 ( 0.000 -0.000 31.205) 31.205 2.048 ( 0.000 0.000 49.890) 49.890 2.338 ( 0.000 0.000 0.435) 0.435 2.338 ( 0.000 0.000 0.435) 0.435 3.273 ( 0.000 0.000 -32.990) 32.990 3.707 ( -0.000 -0.000 -7.213) 7.213 3.707 ( 0.000 0.000 -7.213) 7.213 3.863 ( 0.000 0.000 -17.869) 17.869 4.852 ( 0.000 0.000 -19.659) 19.659 5.184 ( 0.000 0.000 -15.559) 15.559 5.184 ( -0.000 0.000 -15.559) 15.559 5.369 ( 0.000 -0.000 -1.085) 1.085 5.369 ( 0.000 0.000 -1.085) 1.085 5.920 ( 0.000 0.000 -4.195) 4.195 6.001 ( 0.000 0.000 -12.125) 12.125 6.001 ( 0.000 0.000 -12.125) 12.125 6.349 ( 0.000 0.000 28.840) 28.840 6.974 ( -0.000 -0.000 3.232) 3.232 6.974 ( 0.000 0.000 3.232) 3.232 7.133 ( 0.000 0.000 -8.594) 8.594 7.307 ( 0.000 0.000 6.825) 6.825 7.600 ( -0.000 -0.000 7.769) 7.769 8.428 ( 0.000 0.000 26.092) 26.092 8.428 ( 0.000 0.000 26.092) 26.092 9.025 ( 0.000 0.000 -8.294) 8.294 9.683 ( 0.000 -0.000 -7.058) 7.058 9.683 ( 0.000 0.000 -7.058) 7.058 9.775 ( 0.000 0.000 -17.051) 17.051 10.042 ( 0.000 0.000 -3.215) 3.215 10.042 ( 0.000 0.000 -3.215) 3.215 11.349 ( 0.000 0.000 -7.607) 7.607 11.379 ( 0.000 0.000 4.413) 4.413 11.379 ( 0.000 0.000 4.413) 4.413 11.878 ( 0.000 0.000 -15.283) 15.283 12.321 ( -0.000 -0.000 -3.705) 3.705 12.321 ( 0.000 0.000 -3.705) 3.705 12.834 ( 0.000 0.000 3.263) 3.263 13.280 ( 0.000 0.000 -4.923) 4.923 13.280 ( 0.000 0.000 -4.923) 4.923 13.635 ( 0.000 0.000 16.097) 16.097 14.928 ( 0.000 0.000 6.852) 6.852 16.183 ( 0.000 0.000 -0.712) 0.712 19.637 ( 0.000 0.000 -0.087) 0.087 20.934 ( -0.000 -0.000 -0.451) 0.451 20.934 ( 0.000 0.000 -0.451) 0.451 20.983 ( 0.000 0.000 -0.059) 0.059 20.983 ( -0.000 -0.000 -0.059) 0.059 22.865 ( 0.000 0.000 -3.186) 3.186 23.284 ( 0.000 0.000 -13.785) 13.785 23.931 ( 0.000 0.000 -1.576) 1.576 25.863 ( 0.000 0.000 17.166) 17.166 27.449 ( 0.000 0.000 2.172) 2.172 ======================= Grid point 163 (32/90) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 4.374 0.000 3.220) 5.432 1.423 ( 8.839 0.000 32.823) 33.993 1.538 ( 16.764 0.000 23.273) 28.682 2.307 ( -2.720 0.000 0.945) 2.879 2.340 ( 25.066 0.000 25.296) 35.612 2.584 ( 24.625 0.000 9.135) 26.264 3.339 ( 6.681 0.000 -29.318) 30.069 3.659 ( -5.147 0.000 -5.245) 7.349 3.748 ( -3.882 0.000 -17.643) 18.065 3.972 ( 17.176 0.000 -8.534) 19.180 4.676 ( -16.969 0.000 -6.640) 18.222 5.157 ( -12.464 0.000 -0.933) 12.499 5.185 ( -6.944 0.000 -15.132) 16.649 5.249 ( -3.879 0.000 -0.343) 3.894 5.266 ( 0.994 0.000 -14.943) 14.976 5.674 ( -2.037 0.000 -5.373) 5.746 5.976 ( -2.617 0.000 -11.797) 12.084 6.223 ( 11.458 0.000 -9.407) 14.825 6.472 ( 11.015 0.000 24.390) 26.762 6.793 ( -11.733 0.000 -3.914) 12.369 7.000 ( 2.765 0.000 4.621) 5.385 7.312 ( 0.699 0.000 5.213) 5.259 7.324 ( 12.494 0.000 -2.591) 12.760 7.537 ( -5.640 0.000 7.042) 9.022 8.437 ( 0.242 0.000 21.840) 21.841 8.544 ( 8.125 0.000 23.274) 24.652 9.026 ( 0.657 0.000 -5.591) 5.630 9.455 ( -8.682 0.000 -5.168) 10.104 9.709 ( 2.463 0.000 -5.889) 6.384 9.798 ( 5.001 0.000 -6.012) 7.820 10.000 ( -4.093 0.000 -3.364) 5.298 10.852 ( 38.977 0.000 -30.257) 49.343 11.139 ( -13.200 0.000 -2.176) 13.378 11.395 ( -0.067 0.000 0.411) 0.417 11.533 ( 7.419 0.000 0.180) 7.421 11.898 ( 2.970 0.000 -11.628) 12.001 12.260 ( -5.962 0.000 -1.181) 6.078 12.348 ( 5.033 0.000 -14.677) 15.516 12.886 ( 5.177 0.000 0.246) 5.183 13.161 ( -8.646 0.000 -5.722) 10.368 13.297 ( 1.478 0.000 -5.061) 5.273 13.874 ( 20.454 0.000 12.287) 23.861 14.901 ( -1.940 0.000 6.770) 7.042 16.086 ( -8.386 0.000 5.453) 10.002 19.649 ( 2.064 0.000 -0.423) 2.107 20.884 ( -7.915 0.000 -0.977) 7.975 20.936 ( 0.174 0.000 -0.434) 0.468 20.981 ( -0.229 0.000 -0.067) 0.238 21.534 ( 49.788 0.000 -23.370) 55.000 22.952 ( 8.805 0.000 -3.249) 9.385 23.312 ( 2.764 0.000 -14.076) 14.345 23.935 ( 0.277 0.000 -1.726) 1.748 25.888 ( 2.696 0.000 17.439) 17.646 27.260 ( -17.575 0.000 9.901) 20.172 ======================= Grid point 164 (33/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 11.143 0.000 -0.164) 11.144 1.670 ( 17.224 0.000 24.554) 29.992 1.843 ( 11.921 0.000 12.761) 17.463 2.292 ( 4.083 0.000 7.002) 8.105 2.726 ( 14.209 0.000 -2.709) 14.465 3.184 ( 29.850 0.000 17.941) 34.826 3.460 ( -3.354 0.000 -3.850) 5.106 3.565 ( 4.591 0.000 -17.691) 18.277 3.656 ( 0.373 0.000 -14.406) 14.411 4.201 ( -6.868 0.000 -1.110) 6.957 4.498 ( 11.432 0.000 -4.879) 12.430 4.886 ( -18.914 0.000 -1.679) 18.989 4.944 ( -8.090 0.000 -7.406) 10.968 5.323 ( 6.657 0.000 -14.751) 16.183 5.328 ( 2.253 0.000 -8.085) 8.393 5.729 ( 3.955 0.000 -3.462) 5.256 5.904 ( -5.041 0.000 -11.765) 12.800 6.421 ( 4.461 0.000 -10.766) 11.654 6.659 ( 2.884 0.000 -3.809) 4.778 6.687 ( 10.507 0.000 17.987) 20.830 7.060 ( 2.380 0.000 9.885) 10.167 7.363 ( 6.253 0.000 -0.143) 6.255 7.426 ( -5.206 0.000 2.807) 5.915 7.572 ( 14.917 0.000 -1.102) 14.957 8.391 ( -6.176 0.000 9.267) 11.137 8.637 ( 0.437 0.000 19.146) 19.151 9.082 ( 5.887 0.000 2.850) 6.540 9.373 ( -0.089 0.000 -3.335) 3.336 9.734 ( -2.122 0.000 -0.978) 2.336 9.919 ( 6.867 0.000 -5.284) 8.665 9.942 ( 0.749 0.000 -5.092) 5.146 10.872 ( -15.027 0.000 -0.980) 15.059 11.063 ( -10.142 0.000 -13.531) 16.910 11.307 ( -8.993 0.000 -4.309) 9.972 11.651 ( 5.478 0.000 1.526) 5.687 12.028 ( 9.647 0.000 -11.268) 14.833 12.123 ( -8.024 0.000 1.967) 8.261 12.471 ( 3.250 0.000 -15.663) 15.997 13.008 ( 7.288 0.000 -3.824) 8.231 13.082 ( 3.645 0.000 -16.648) 17.043 13.321 ( 0.667 0.000 -5.567) 5.606 14.175 ( 5.436 0.000 3.167) 6.291 14.944 ( 9.493 0.000 9.369) 13.338 15.922 ( -8.722 0.000 11.985) 14.823 19.727 ( 6.244 0.000 -0.976) 6.320 20.678 ( -13.379 0.000 -0.831) 13.404 20.941 ( 0.326 0.000 -0.384) 0.504 20.975 ( -0.401 0.000 -0.095) 0.412 22.427 ( 39.948 0.000 -38.759) 55.660 23.163 ( 12.214 0.000 -4.535) 13.029 23.382 ( 4.855 0.000 -14.383) 15.180 23.930 ( -1.183 0.000 -2.137) 2.443 25.966 ( 5.611 0.000 18.244) 19.088 26.893 ( -19.548 0.000 18.783) 27.109 ======================= Grid point 165 (34/90) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 12.050 0.000 -2.721) 12.354 1.890 ( -4.804 0.000 0.145) 4.806 2.050 ( 22.418 0.000 11.425) 25.162 2.531 ( 18.712 0.000 15.260) 24.146 2.799 ( -8.752 0.000 -5.094) 10.126 3.233 ( -15.823 0.000 8.180) 17.813 3.405 ( 6.604 0.000 -6.515) 9.277 3.808 ( 16.328 0.000 -15.269) 22.355 3.848 ( -6.442 0.000 -1.696) 6.661 4.145 ( 20.726 0.000 7.103) 21.909 4.516 ( -19.986 0.000 -3.115) 20.228 4.787 ( -1.769 0.000 -5.384) 5.667 4.849 ( 11.672 0.000 -5.979) 13.114 5.312 ( -4.719 0.000 2.072) 5.154 5.470 ( 8.660 0.000 -15.744) 17.969 5.788 ( -7.249 0.000 -12.720) 14.641 5.796 ( 5.554 0.000 -5.798) 8.029 6.299 ( -13.450 0.000 -6.619) 14.990 6.853 ( 7.362 0.000 13.772) 15.616 6.911 ( 17.174 0.000 -4.468) 17.746 7.054 ( -2.829 0.000 12.641) 12.953 7.345 ( -4.654 0.000 -3.756) 5.981 7.574 ( 15.330 0.000 -3.469) 15.718 7.923 ( 22.029 0.000 0.417) 22.033 8.197 ( -14.006 0.000 -0.880) 14.034 8.555 ( -8.575 0.000 12.479) 15.142 9.238 ( 10.010 0.000 7.682) 12.618 9.454 ( 8.779 0.000 -1.188) 8.859 9.614 ( -8.879 0.000 3.074) 9.396 9.971 ( -5.123 0.000 -4.659) 6.924 10.058 ( 10.202 0.000 -3.859) 10.908 10.581 ( -15.725 0.000 -0.216) 15.727 10.801 ( -9.513 0.000 -6.129) 11.316 11.086 ( -13.795 0.000 -4.990) 14.670 11.748 ( 5.087 0.000 2.655) 5.738 11.975 ( -7.349 0.000 3.281) 8.048 12.196 ( 7.547 0.000 -11.428) 13.695 12.428 ( -5.504 0.000 -8.651) 10.254 13.144 ( 6.736 0.000 -5.939) 8.980 13.312 ( -1.783 0.000 -6.215) 6.465 13.321 ( 19.179 0.000 -18.502) 26.649 14.060 ( -14.482 0.000 -4.869) 15.278 15.225 ( 17.062 0.000 13.284) 21.624 15.747 ( -10.329 0.000 14.682) 17.951 19.886 ( 10.626 0.000 -1.062) 10.679 20.403 ( -15.358 0.000 -0.824) 15.381 20.948 ( 0.438 0.000 -0.310) 0.537 20.966 ( -0.489 0.000 -0.149) 0.511 22.993 ( 20.998 0.000 -33.358) 39.416 23.315 ( 2.079 0.000 -15.007) 15.150 23.533 ( 11.349 0.000 -7.738) 13.736 23.876 ( -4.863 0.000 -2.812) 5.618 26.101 ( 8.723 0.000 19.531) 21.390 26.557 ( -15.882 0.000 21.492) 26.723 ======================= Grid point 166 (35/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -9.908 0.000 -2.653) 10.257 1.744 ( 9.908 0.000 -2.653) 10.257 2.478 ( -21.900 0.000 0.301) 21.902 2.478 ( 21.900 0.000 0.301) 21.902 2.899 ( -19.269 0.000 12.876) 23.175 2.899 ( 19.269 0.000 12.876) 23.175 3.610 ( -13.515 0.000 -4.969) 14.400 3.610 ( 13.515 0.000 -4.969) 14.400 4.145 ( -19.147 0.000 -7.849) 20.693 4.145 ( 19.147 0.000 -7.849) 20.693 4.561 ( -17.805 0.000 -1.016) 17.834 4.561 ( 17.805 0.000 -1.016) 17.834 5.141 ( -13.148 0.000 2.122) 13.318 5.141 ( 13.148 0.000 2.122) 13.318 5.636 ( -8.695 0.000 -14.460) 16.873 5.636 ( 8.695 0.000 -14.460) 16.873 6.002 ( -15.623 0.000 -5.419) 16.536 6.002 ( 15.623 0.000 -5.419) 16.536 6.973 ( -5.480 0.000 12.621) 13.759 6.973 ( 5.480 0.000 12.621) 13.759 7.195 ( -11.905 0.000 -5.534) 13.128 7.195 ( 11.905 0.000 -5.534) 13.128 7.893 ( -17.464 0.000 -3.959) 17.907 7.893 ( 17.464 0.000 -3.959) 17.907 8.316 ( -17.387 0.000 5.351) 18.192 8.316 ( 17.387 0.000 5.351) 18.192 9.432 ( -10.226 0.000 6.208) 11.963 9.432 ( 10.226 0.000 6.208) 11.963 9.710 ( -17.593 0.000 -2.633) 17.789 9.710 ( 17.593 0.000 -2.633) 17.789 10.294 ( -14.339 0.000 -1.195) 14.389 10.294 ( 14.339 0.000 -1.195) 14.389 10.837 ( -10.646 0.000 -4.400) 11.519 10.837 ( 10.646 0.000 -4.400) 11.519 11.851 ( -5.935 0.000 3.314) 6.798 11.851 ( 5.935 0.000 3.314) 6.798 12.318 ( -5.917 0.000 -10.230) 11.818 12.318 ( 5.917 0.000 -10.230) 11.818 13.252 ( -4.582 0.000 -6.516) 7.966 13.252 ( 4.582 0.000 -6.516) 7.966 13.714 ( -20.963 0.000 -11.526) 23.923 13.714 ( 20.963 0.000 -11.526) 23.923 15.521 ( -13.937 0.000 14.998) 20.474 15.521 ( 13.937 0.000 14.998) 20.474 20.121 ( -14.130 0.000 -0.934) 14.160 20.121 ( 14.130 0.000 -0.934) 14.160 20.957 ( -0.497 0.000 -0.225) 0.545 20.957 ( 0.497 0.000 -0.225) 0.545 23.258 ( -8.068 0.000 -24.369) 25.670 23.258 ( 8.068 0.000 -24.369) 25.670 23.740 ( -9.536 0.000 -4.106) 10.383 23.740 ( 9.536 0.000 -4.106) 10.383 26.296 ( -12.060 0.000 20.969) 24.190 26.296 ( 12.060 0.000 20.969) 24.190 ======================= Grid point 172 (36/90) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 10.263 10.263 -0.824) 14.538 1.512 ( 7.546 7.546 30.301) 32.125 1.658 ( 14.782 14.782 24.746) 32.395 2.347 ( 0.833 0.833 2.178) 2.476 2.477 ( 12.218 12.218 5.152) 18.031 2.819 ( 26.570 26.570 20.593) 42.848 3.390 ( 5.204 5.204 -25.815) 26.843 3.726 ( -1.527 -1.527 -17.273) 17.407 3.800 ( 3.471 3.471 -8.215) 9.570 3.970 ( 7.856 7.856 -5.031) 12.196 4.518 ( -14.379 -14.379 0.332) 20.338 4.987 ( -11.630 -11.630 -6.583) 17.716 5.157 ( -7.744 -7.744 -2.411) 11.214 5.215 ( -0.556 -0.556 -16.249) 16.268 5.343 ( 6.342 6.342 -7.105) 11.442 5.634 ( 0.368 0.368 -6.999) 7.018 6.103 ( 5.447 5.447 -13.088) 15.187 6.209 ( 3.036 3.036 -8.075) 9.145 6.570 ( 8.898 8.898 21.031) 24.509 6.684 ( -8.674 -8.674 -2.798) 12.582 7.046 ( 4.254 4.254 2.868) 6.664 7.316 ( 1.091 1.091 5.818) 6.019 7.428 ( 8.651 8.651 -3.007) 12.598 7.473 ( -5.506 -5.506 6.291) 10.010 8.476 ( 1.539 1.539 18.836) 18.962 8.593 ( 4.765 4.765 21.717) 22.739 9.034 ( 1.322 1.322 -3.315) 3.806 9.410 ( -3.629 -3.629 -4.747) 6.991 9.695 ( 0.463 0.463 -5.586) 5.624 9.806 ( 1.864 1.864 -4.637) 5.334 10.018 ( -1.339 -1.339 -2.493) 3.131 10.971 ( 3.043 3.043 -20.124) 20.579 11.155 ( -10.694 -10.694 1.928) 15.247 11.171 ( 1.497 1.497 -7.442) 7.737 11.756 ( -13.850 -13.850 -6.567) 20.658 11.819 ( 16.640 16.640 0.574) 23.539 12.071 ( -3.820 -3.820 -7.250) 9.041 12.649 ( 11.900 11.900 -16.434) 23.523 12.983 ( 10.715 10.715 -10.238) 18.288 13.180 ( -4.310 -4.310 -6.110) 8.630 13.221 ( -0.346 -0.346 -6.376) 6.395 14.024 ( 14.981 14.981 14.029) 25.410 14.860 ( -3.540 -3.540 6.240) 8.000 16.018 ( -6.154 -6.154 8.773) 12.358 19.645 ( 0.628 0.628 -0.206) 0.911 20.805 ( -7.284 -7.284 -0.898) 10.341 20.956 ( -0.457 -0.457 -0.943) 1.143 20.981 ( 0.490 0.490 0.831) 1.082 21.931 ( 36.034 36.034 -34.262) 61.407 23.033 ( 8.296 8.296 -3.257) 12.176 23.340 ( 2.831 2.831 -14.421) 14.966 23.941 ( 0.486 0.486 -1.883) 2.004 25.912 ( 2.477 2.477 17.663) 18.007 27.114 ( -13.801 -13.801 14.286) 24.188 ======================= Grid point 173 (37/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 9.030 11.401 1.898) 14.667 1.762 ( 18.448 10.911 18.870) 28.556 1.960 ( 11.931 11.267 13.295) 21.120 2.360 ( 4.778 5.970 8.684) 11.571 2.739 ( 13.122 2.129 -3.723) 13.805 3.393 ( 20.994 20.077 11.614) 31.284 3.508 ( 6.743 3.583 -10.942) 13.343 3.693 ( 4.282 5.303 -13.779) 15.372 3.717 ( -4.075 12.999 -5.750) 14.787 4.130 ( -7.838 -5.342 -0.202) 9.487 4.385 ( 10.623 -10.366 -2.101) 14.991 4.798 ( -8.597 -10.167 -8.655) 15.880 4.951 ( -10.399 1.914 -1.743) 10.716 5.234 ( 1.325 -3.962 -12.222) 12.916 5.458 ( 5.657 7.468 -7.495) 11.997 5.679 ( 1.801 -2.245 -6.635) 7.232 6.069 ( -4.012 13.787 -11.050) 18.118 6.374 ( 4.821 -3.780 -10.952) 12.549 6.592 ( 4.357 -5.407 -1.704) 7.150 6.746 ( 8.773 5.414 14.914) 18.130 7.145 ( 4.923 7.905 6.211) 11.194 7.363 ( 2.678 -1.788 1.591) 3.592 7.378 ( -0.862 -2.853 2.502) 3.891 7.623 ( 12.408 5.199 -2.363) 13.659 8.443 ( -5.682 4.739 8.971) 11.629 8.654 ( 0.161 1.330 18.122) 18.171 9.102 ( 6.217 2.073 3.647) 7.500 9.371 ( 0.523 -0.309 -3.848) 3.895 9.743 ( 2.118 -1.135 -2.038) 3.150 9.786 ( -3.416 -3.994 -2.846) 5.977 10.010 ( 2.234 -1.021 -3.446) 4.232 10.800 ( -14.756 -4.785 -1.376) 15.573 11.061 ( -3.404 -18.256 -1.599) 18.639 11.099 ( -13.886 0.349 -8.283) 16.173 11.503 ( -7.024 -24.254 -6.022) 25.958 11.932 ( -5.730 8.513 -2.573) 10.579 12.238 ( 18.250 12.770 -1.539) 22.327 12.788 ( 5.283 6.944 -11.844) 14.711 13.019 ( -6.935 3.538 -10.241) 12.864 13.149 ( 5.309 8.903 -11.597) 15.554 13.327 ( 7.228 3.289 -15.530) 17.443 14.273 ( 3.942 11.163 7.738) 14.143 14.871 ( 9.214 -7.602 8.604) 14.722 15.887 ( -7.635 -3.513 12.964) 15.450 19.700 ( 5.422 -1.737 -0.562) 5.722 20.614 ( -12.644 -6.436 -0.770) 14.208 20.944 ( -0.457 -0.684 -0.697) 1.078 20.979 ( -0.635 0.584 0.690) 1.105 22.617 ( 32.336 17.971 -39.555) 54.159 23.234 ( 11.627 7.272 -4.332) 14.381 23.411 ( 4.895 2.874 -14.882) 15.928 23.942 ( -0.802 1.080 -2.313) 2.675 25.983 ( 5.171 1.822 18.345) 19.146 26.814 ( -16.569 -7.728 19.784) 26.938 ======================= Grid point 174 (38/90) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 10.555 9.004 1.720) 13.980 1.987 ( -4.904 9.068 1.491) 10.416 2.160 ( 21.477 11.757 6.567) 25.349 2.593 ( 14.606 5.873 13.531) 20.759 2.888 ( 1.603 7.864 -3.007) 8.570 3.345 ( -10.339 7.881 2.059) 13.163 3.488 ( -4.181 10.284 -1.978) 11.276 3.791 ( -0.243 -2.671 -6.411) 6.949 3.862 ( 2.067 1.728 -8.944) 9.341 4.181 ( 19.660 5.119 4.266) 20.758 4.465 ( -7.268 -3.809 2.221) 8.501 4.752 ( 2.771 -8.513 -8.372) 12.257 4.859 ( 4.100 5.278 -5.961) 8.955 5.233 ( -2.840 -5.769 -3.152) 7.161 5.550 ( 4.260 5.316 -7.191) 9.905 5.679 ( -0.241 -3.813 -9.421) 10.166 6.004 ( -1.894 14.105 -9.881) 17.326 6.288 ( -10.357 0.632 -5.748) 11.862 6.831 ( 13.873 -5.005 -3.801) 15.230 6.890 ( 6.731 2.524 9.703) 12.076 7.174 ( -0.743 9.226 8.420) 12.512 7.318 ( -2.779 -3.018 -3.413) 5.337 7.593 ( 16.437 2.048 -2.357) 16.730 7.916 ( 17.705 0.193 -0.454) 17.712 8.269 ( -11.108 7.331 0.565) 13.321 8.582 ( -7.855 2.723 12.087) 14.670 9.239 ( 7.405 0.588 8.053) 10.955 9.446 ( 5.934 -3.142 -3.180) 7.429 9.619 ( -6.206 1.728 4.172) 7.675 9.889 ( 7.313 -6.757 -1.745) 10.109 10.019 ( -3.089 -5.052 -4.732) 7.580 10.493 ( -18.453 -7.379 0.523) 19.880 10.808 ( -9.503 -3.928 -4.032) 11.045 10.954 ( -7.716 -14.823 0.048) 16.711 11.488 ( 3.412 -20.199 -4.636) 21.003 11.773 ( -9.847 0.566 -0.656) 9.885 12.519 ( 10.675 22.045 -5.293) 25.059 12.782 ( -5.334 19.391 -9.997) 22.459 13.057 ( 8.821 -8.287 -8.676) 14.892 13.209 ( 1.191 -1.220 -5.995) 6.233 13.491 ( 11.930 10.618 -18.281) 24.275 14.131 ( -15.138 7.870 -2.049) 17.184 15.174 ( 18.508 -5.260 13.317) 23.400 15.722 ( -10.240 -2.640 14.913) 18.282 19.848 ( 10.215 -3.216 -0.806) 10.740 20.350 ( -14.854 -5.225 -0.749) 15.764 20.941 ( 0.115 -1.260 -0.383) 1.322 20.964 ( -0.916 -0.293 0.370) 1.030 23.090 ( 18.160 9.522 -32.801) 38.683 23.373 ( 1.702 5.848 -15.396) 16.557 23.566 ( 11.446 3.397 -7.430) 14.063 23.896 ( -4.394 1.948 -2.988) 5.659 26.107 ( 8.039 0.719 19.481) 21.087 26.523 ( -14.148 -3.514 21.462) 25.945 ======================= Grid point 175 (39/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -9.750 8.338 0.352) 12.834 1.839 ( 9.750 8.338 0.352) 12.834 2.547 ( -17.425 7.950 -0.770) 19.168 2.547 ( 17.425 7.950 -0.770) 19.168 3.063 ( -17.079 14.288 11.751) 25.177 3.063 ( 17.079 14.288 11.751) 25.177 3.583 ( -11.223 -2.385 -4.622) 12.369 3.583 ( 11.223 -2.385 -4.622) 12.369 4.116 ( -15.424 -2.295 -6.165) 16.768 4.116 ( 15.424 -2.295 -6.165) 16.768 4.615 ( -13.403 4.721 -2.368) 14.406 4.615 ( 13.403 4.721 -2.368) 14.406 5.088 ( -12.220 -4.788 -1.387) 13.198 5.088 ( 12.220 -4.788 -1.387) 13.198 5.643 ( -4.750 0.222 -8.457) 9.702 5.643 ( 4.750 0.222 -8.457) 9.702 6.072 ( -9.775 8.178 -7.052) 14.566 6.072 ( 9.775 8.178 -7.052) 14.566 6.968 ( -1.754 -0.912 4.567) 4.976 6.968 ( 1.754 -0.912 4.567) 4.976 7.223 ( -6.519 2.656 -1.014) 7.112 7.223 ( 6.519 2.656 -1.014) 7.112 7.914 ( -16.003 2.494 -3.157) 16.501 7.914 ( 16.003 2.494 -3.157) 16.501 8.352 ( -16.113 4.064 5.097) 17.382 8.352 ( 16.113 4.064 5.097) 17.382 9.383 ( -8.128 -4.090 5.885) 10.836 9.383 ( 8.128 -4.090 5.885) 10.836 9.757 ( -15.107 3.203 -1.739) 15.540 9.757 ( 15.107 3.203 -1.739) 15.540 10.159 ( -15.235 -11.403 -1.039) 19.058 10.159 ( 15.235 -11.403 -1.039) 19.058 10.807 ( -6.365 -9.105 -0.619) 11.127 10.807 ( 6.365 -9.105 -0.619) 11.127 11.599 ( -7.987 -9.897 -1.645) 12.823 11.599 ( 7.987 -9.897 -1.645) 12.823 12.669 ( -6.405 22.036 -9.692) 24.911 12.669 ( 6.405 22.036 -9.692) 24.911 13.186 ( -3.922 -4.557 -5.916) 8.435 13.186 ( 3.922 -4.557 -5.916) 8.435 13.795 ( -18.892 8.056 -10.373) 23.009 13.795 ( 18.892 8.056 -10.373) 23.009 15.490 ( -14.624 -3.240 15.031) 21.220 15.490 ( 14.624 -3.240 15.031) 21.220 20.076 ( -13.766 -4.217 -0.805) 14.420 20.076 ( 13.766 -4.217 -0.805) 14.420 20.948 ( -0.650 -1.114 -0.009) 1.290 20.948 ( 0.650 -1.114 -0.009) 1.290 23.322 ( -7.121 6.388 -24.150) 25.975 23.322 ( 7.121 6.388 -24.150) 25.975 23.769 ( -9.106 2.882 -4.171) 10.422 23.769 ( 9.106 2.882 -4.171) 10.422 26.286 ( -11.016 -0.939 20.809) 23.563 26.286 ( 11.016 -0.939 20.809) 23.563 ======================= Grid point 182 (40/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 8.446 8.446 8.910) 14.902 2.076 ( 20.429 20.429 5.147) 29.346 2.166 ( 6.384 6.384 7.556) 11.773 2.498 ( 10.672 10.672 14.905) 21.212 2.832 ( 7.605 7.605 -5.099) 11.902 3.533 ( 1.160 1.160 -9.799) 9.936 3.748 ( 3.448 3.448 -12.537) 13.452 3.803 ( -2.108 -2.108 -1.608) 3.388 3.927 ( 17.009 17.009 1.742) 24.118 4.153 ( 4.107 4.107 6.160) 8.467 4.209 ( 1.532 1.532 1.660) 2.729 4.597 ( -9.260 -9.260 -8.928) 15.849 4.962 ( -0.085 -0.085 -1.421) 1.426 5.182 ( -1.926 -1.926 -10.229) 10.585 5.578 ( 4.970 4.970 -4.181) 8.179 5.653 ( -1.743 -1.743 -10.237) 10.529 6.292 ( 3.714 3.714 -8.397) 9.905 6.393 ( 9.245 9.245 -15.055) 19.940 6.512 ( -0.009 -0.009 0.360) 0.360 6.854 ( 5.458 5.458 8.057) 11.158 7.254 ( -2.537 -2.537 -0.641) 3.644 7.365 ( 1.034 1.034 4.133) 4.385 7.367 ( 10.046 10.046 3.666) 14.673 7.758 ( 9.130 9.130 -3.256) 13.316 8.528 ( 2.439 2.439 7.177) 7.962 8.658 ( -0.955 -0.955 14.873) 14.934 9.169 ( 5.520 5.520 6.041) 9.871 9.350 ( -2.413 -2.413 -5.719) 6.660 9.692 ( -1.135 -1.135 -2.372) 2.864 9.758 ( -3.786 -3.786 2.060) 5.737 9.948 ( -2.111 -2.111 -0.383) 3.010 10.647 ( -15.618 -15.618 1.536) 22.141 10.729 ( -12.575 -12.575 3.739) 18.173 10.985 ( -22.744 -22.744 -4.023) 32.416 11.192 ( 4.077 4.077 -9.743) 11.321 12.024 ( -1.517 -1.517 -4.870) 5.321 12.594 ( 22.552 22.552 -0.650) 31.900 12.773 ( -1.290 -1.290 -9.146) 9.326 12.990 ( -4.336 -4.336 -4.279) 7.477 13.279 ( 3.119 3.119 -14.247) 14.914 13.518 ( 11.569 11.569 -27.428) 31.937 14.586 ( 14.004 14.004 15.135) 24.925 14.686 ( -5.149 -5.149 4.641) 8.635 15.797 ( -6.111 -6.111 14.469) 16.854 19.702 ( 2.530 2.530 -0.332) 3.593 20.450 ( -10.760 -10.760 -0.633) 15.231 20.920 ( -1.443 -1.443 -0.601) 2.127 20.975 ( -1.210 -1.210 1.101) 2.035 22.995 ( 19.718 19.718 -37.078) 46.394 23.416 ( 11.008 11.008 -3.594) 15.977 23.478 ( 4.098 4.098 -16.839) 17.809 23.959 ( 0.309 0.309 -2.789) 2.823 26.036 ( 3.882 3.882 18.705) 19.493 26.634 ( -10.616 -10.616 21.105) 25.900 ======================= Grid point 183 (41/90) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 9.668 8.117 8.077) 14.986 2.148 ( -6.067 5.978 4.239) 9.514 2.470 ( 20.048 19.718 -2.165) 28.203 2.754 ( 11.921 11.569 11.387) 20.140 3.005 ( 11.262 3.740 -1.994) 12.034 3.481 ( -6.486 5.867 -1.363) 8.851 3.666 ( -9.623 -2.858 -0.315) 10.044 3.709 ( -8.729 3.825 -2.787) 9.929 3.949 ( 1.245 5.767 -6.673) 8.907 4.222 ( -2.651 -3.971 0.985) 4.875 4.517 ( 6.285 0.466 -5.249) 8.202 4.546 ( 16.279 -1.808 1.771) 16.475 4.977 ( 1.230 6.668 -4.991) 8.419 5.128 ( -4.261 -5.200 -4.930) 8.336 5.612 ( 0.287 1.582 -6.407) 6.605 5.662 ( 2.627 2.177 -5.073) 6.114 6.298 ( -1.374 16.059 -8.515) 18.228 6.396 ( -4.361 11.215 -6.183) 13.528 6.735 ( 14.539 -4.716 -8.276) 17.381 6.938 ( 2.956 1.717 0.657) 3.481 7.231 ( 0.802 -5.239 -2.204) 5.740 7.327 ( -2.890 5.106 4.520) 7.407 7.677 ( 19.237 8.472 0.484) 21.026 7.969 ( 12.421 6.000 -1.312) 13.856 8.455 ( -8.050 11.857 3.437) 14.738 8.644 ( -3.294 3.192 10.650) 11.595 9.260 ( -0.120 -2.814 4.440) 5.258 9.313 ( 2.471 -5.806 -0.452) 6.326 9.682 ( -1.156 3.619 5.560) 6.734 9.728 ( 5.468 -9.763 -1.606) 11.305 9.924 ( -3.049 -3.433 -0.223) 4.597 10.333 ( -18.406 -10.414 3.411) 21.421 10.465 ( -11.868 -24.780 0.820) 27.488 10.621 ( -13.459 -22.680 1.544) 26.418 11.366 ( 12.326 6.269 -7.413) 15.691 11.883 ( -12.073 6.934 -3.786) 14.428 12.766 ( 2.617 -4.270 -10.347) 11.496 12.903 ( -3.813 -5.144 -6.748) 9.303 13.029 ( 17.993 16.370 -3.127) 24.526 13.309 ( -0.114 7.809 -15.917) 17.730 13.716 ( 11.758 12.732 -18.320) 25.219 14.358 ( -17.782 14.888 3.258) 23.419 15.046 ( 21.656 -7.105 13.877) 26.684 15.647 ( -10.212 -5.553 15.230) 19.159 19.801 ( 7.885 -1.054 -0.433) 7.967 20.224 ( -12.774 -7.798 -0.554) 14.976 20.901 ( -0.336 -2.596 -0.193) 2.624 20.942 ( -2.003 -2.134 0.874) 3.054 23.304 ( 12.704 11.977 -30.378) 35.038 23.510 ( 0.647 7.642 -17.620) 19.217 23.653 ( 11.481 5.796 -5.659) 14.051 23.937 ( -2.962 2.020 -3.470) 4.990 26.130 ( 6.092 1.783 19.424) 20.435 26.437 ( -10.011 -5.227 21.217) 24.036 ======================= Grid point 184 (42/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -9.716 7.091 5.452) 13.206 1.992 ( 9.716 7.091 5.452) 13.206 2.774 ( -9.994 15.093 -3.777) 18.492 2.774 ( 9.994 15.093 -3.777) 18.492 3.282 ( -15.846 5.878 8.922) 19.112 3.282 ( 15.846 5.878 8.922) 19.112 3.559 ( -3.464 1.059 -2.564) 4.438 3.559 ( 3.464 1.059 -2.564) 4.438 4.078 ( -9.622 -1.822 -2.406) 10.084 4.078 ( 9.622 -1.822 -2.406) 10.084 4.659 ( -5.730 -3.438 -5.789) 8.841 4.659 ( 5.730 -3.438 -5.789) 8.841 5.034 ( -5.208 1.828 -3.417) 6.492 5.034 ( 5.208 1.828 -3.417) 6.492 5.661 ( -2.936 2.741 -2.970) 4.996 5.661 ( 2.936 2.741 -2.970) 4.996 6.306 ( -3.342 15.736 -7.717) 17.842 6.306 ( 3.342 15.736 -7.717) 17.842 6.928 ( -5.144 -3.289 -6.641) 9.021 6.928 ( 5.144 -3.289 -6.641) 9.021 7.267 ( -2.915 1.271 2.148) 3.838 7.267 ( 2.915 1.271 2.148) 3.838 8.009 ( -12.568 8.391 -1.619) 15.198 8.009 ( 12.568 8.391 -1.619) 15.198 8.468 ( -12.011 7.785 5.411) 15.302 8.468 ( 12.011 7.785 5.411) 15.302 9.298 ( -4.243 -5.460 5.208) 8.656 9.298 ( 4.243 -5.460 5.208) 8.656 9.761 ( -7.472 -3.751 -0.307) 8.366 9.761 ( 7.472 -3.751 -0.307) 8.366 9.971 ( -15.668 -6.739 1.356) 17.110 9.971 ( 15.668 -6.739 1.356) 17.110 10.437 ( -5.976 -25.694 3.607) 26.625 10.437 ( 5.976 -25.694 3.607) 26.625 11.623 ( -14.455 8.376 -4.932) 17.419 11.623 ( 14.455 8.376 -4.932) 17.419 12.829 ( -3.815 -5.369 -8.869) 11.048 12.829 ( 3.815 -5.369 -8.869) 11.048 13.256 ( -6.322 11.633 -12.226) 18.021 13.256 ( 6.322 11.633 -12.226) 18.021 14.007 ( -18.455 14.344 -4.962) 23.895 14.007 ( 18.455 14.344 -4.962) 23.895 15.402 ( -15.948 -5.954 15.073) 22.737 15.402 ( 15.948 -5.954 15.073) 22.737 19.989 ( -11.711 -4.494 -0.516) 12.555 19.989 ( 11.711 -4.494 -0.516) 12.555 20.910 ( -1.200 -2.859 0.360) 3.122 20.910 ( 1.200 -2.859 0.360) 3.122 23.471 ( -5.183 8.549 -23.434) 25.477 23.471 ( 5.183 8.549 -23.434) 25.477 23.838 ( -7.704 4.040 -4.326) 9.715 23.838 ( 7.704 4.040 -4.326) 9.715 26.265 ( -8.215 -1.177 20.416) 22.039 26.265 ( 8.215 -1.177 20.416) 22.039 ======================= Grid point 192 (43/90) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 7.787 7.787 9.096) 14.283 2.182 ( -2.103 -2.103 6.530) 7.175 2.838 ( 17.571 17.571 -7.357) 25.915 3.014 ( 13.581 13.581 12.025) 22.660 3.060 ( 4.449 4.449 -5.372) 8.273 3.518 ( -1.932 -1.932 7.702) 8.173 3.536 ( -6.618 -6.618 -4.138) 10.233 3.753 ( -5.020 -5.020 -0.791) 7.144 4.000 ( 0.753 0.753 -4.232) 4.364 4.206 ( 1.365 1.365 3.037) 3.599 4.298 ( -5.557 -5.557 -9.318) 12.189 4.666 ( -3.090 -3.090 -3.082) 5.347 5.085 ( 2.261 2.261 -3.288) 4.586 5.087 ( 4.110 4.110 -3.361) 6.715 5.670 ( 4.977 4.977 -3.884) 8.040 5.726 ( 3.550 3.550 -1.910) 5.371 6.545 ( 7.633 7.633 -6.913) 12.819 6.607 ( 4.798 4.798 -4.371) 8.071 6.706 ( 6.167 6.167 -15.948) 18.177 6.925 ( -2.852 -2.852 -10.400) 11.154 7.184 ( 1.610 1.610 0.810) 2.417 7.345 ( -2.438 -2.438 2.000) 3.986 7.940 ( 18.481 18.481 0.678) 26.144 8.140 ( 11.404 11.404 0.697) 16.143 8.611 ( -0.644 -0.644 11.023) 11.060 8.733 ( 7.814 7.814 2.359) 11.299 9.026 ( -12.291 -12.291 -2.214) 17.523 9.337 ( -1.376 -1.376 8.295) 8.520 9.582 ( -2.803 -2.803 -0.494) 3.995 9.741 ( 1.747 1.747 6.089) 6.571 9.884 ( -1.159 -1.159 2.602) 3.075 10.047 ( -13.854 -13.854 1.026) 19.620 10.089 ( -18.181 -18.181 6.850) 26.608 10.224 ( -15.945 -15.945 0.189) 22.550 11.563 ( 12.476 12.476 -6.550) 18.821 11.936 ( -2.614 -2.614 -3.925) 5.392 12.658 ( -2.860 -2.860 -8.972) 9.842 12.785 ( -6.421 -6.421 -6.345) 11.078 13.322 ( 10.944 10.944 -13.384) 20.461 13.414 ( 3.364 3.364 -20.148) 20.703 13.978 ( 15.886 15.886 -7.945) 23.830 14.517 ( -3.361 -3.361 3.061) 5.653 15.027 ( 8.771 8.771 15.665) 19.981 15.505 ( -9.755 -9.755 15.282) 20.588 19.822 ( 3.364 3.364 -0.264) 4.765 20.069 ( -8.365 -8.365 -0.356) 11.835 20.859 ( -1.519 -1.519 0.157) 2.154 20.892 ( -2.738 -2.738 0.898) 3.974 23.502 ( 8.466 8.466 -26.258) 28.859 23.614 ( 2.721 2.721 -20.348) 20.708 23.784 ( 7.615 7.615 -4.289) 11.592 23.955 ( -0.534 -0.534 -4.109) 4.178 26.176 ( 3.102 3.102 19.565) 20.051 26.337 ( -5.217 -5.217 20.664) 21.942 ======================= Grid point 193 (44/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -6.625 3.617 7.918) 10.939 2.094 ( 6.625 3.617 7.918) 10.939 3.051 ( -4.079 11.844 -5.657) 13.745 3.051 ( 4.079 11.844 -5.657) 13.745 3.322 ( -14.574 2.376 6.042) 15.954 3.322 ( 14.574 2.376 6.042) 15.954 3.583 ( -8.930 -1.536 1.123) 9.130 3.583 ( 8.930 -1.536 1.123) 9.130 4.070 ( -7.141 2.806 -1.588) 7.835 4.070 ( 7.141 2.806 -1.588) 7.835 4.477 ( -13.527 -13.339 -5.919) 19.898 4.477 ( 13.527 -13.339 -5.919) 19.898 5.126 ( -0.483 4.920 -3.451) 6.029 5.126 ( 0.483 4.920 -3.451) 6.029 5.751 ( -1.843 5.652 -0.776) 5.995 5.751 ( 1.843 5.652 -0.776) 5.995 6.605 ( -2.130 13.871 -8.160) 16.234 6.605 ( 2.130 13.871 -8.160) 16.234 6.856 ( -5.643 -3.798 -13.679) 15.277 6.856 ( 5.643 -3.798 -13.679) 15.277 7.265 ( -5.422 -1.159 1.054) 5.644 7.265 ( 5.422 -1.159 1.054) 5.644 8.251 ( -7.767 17.239 0.392) 18.912 8.251 ( 7.767 17.239 0.392) 18.912 8.612 ( -9.351 6.177 6.672) 13.043 8.612 ( 9.351 6.177 6.672) 13.043 9.136 ( -15.909 -12.499 2.227) 20.354 9.136 ( 15.909 -12.499 2.227) 20.354 9.679 ( -10.190 -3.338 4.646) 11.686 9.679 ( 10.190 -3.338 4.646) 11.686 9.869 ( -3.464 -6.071 2.657) 7.477 9.869 ( 3.464 -6.071 2.657) 7.477 10.004 ( -7.400 -16.256 3.777) 18.256 10.004 ( 7.400 -16.256 3.777) 18.256 11.794 ( -11.165 8.004 -4.983) 14.613 11.794 ( 11.165 8.004 -4.983) 14.613 12.680 ( -4.246 -7.667 -7.712) 11.674 12.680 ( 4.246 -7.667 -7.712) 11.674 13.432 ( -1.778 5.887 -19.922) 20.850 13.432 ( 1.778 5.887 -19.922) 20.850 14.296 ( -16.446 14.341 0.905) 21.839 14.296 ( 16.446 14.341 0.905) 21.839 15.277 ( -14.131 -6.681 15.230) 21.824 15.277 ( 14.131 -6.681 15.230) 21.824 19.922 ( -6.934 -2.452 -0.252) 7.359 19.922 ( 6.934 -2.452 -0.252) 7.359 20.854 ( -1.034 -2.623 0.576) 2.878 20.854 ( 1.034 -2.623 0.576) 2.878 23.611 ( -2.981 5.656 -22.460) 23.353 23.611 ( 2.981 5.656 -22.460) 23.353 23.906 ( -4.750 2.888 -4.548) 7.182 23.906 ( 4.750 2.888 -4.548) 7.182 26.246 ( -4.342 -0.729 20.018) 20.496 26.246 ( 4.342 -0.729 20.018) 20.496 ======================= Grid point 206 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.000 0.000 8.413) 8.413 2.128 ( 0.000 0.000 8.413) 8.413 3.147 ( -0.000 -0.000 -4.843) 4.843 3.147 ( 0.000 0.000 -4.843) 4.843 3.451 ( -0.000 -0.000 19.431) 19.431 3.451 ( 0.000 0.000 19.431) 19.431 3.471 ( -0.000 -0.000 -11.993) 11.993 3.471 ( 0.000 0.000 -11.993) 11.993 4.195 ( -0.000 -0.000 -11.830) 11.830 4.195 ( 0.000 0.000 -11.830) 11.830 4.249 ( -0.000 -0.000 3.999) 3.999 4.249 ( -0.000 -0.000 3.999) 3.999 5.173 ( 0.000 0.000 -3.705) 3.705 5.173 ( 0.000 0.000 -3.705) 3.705 5.815 ( 0.000 0.000 0.538) 0.538 5.815 ( 0.000 0.000 0.538) 0.538 6.742 ( -0.000 -0.000 -8.591) 8.591 6.742 ( 0.000 0.000 -8.591) 8.591 6.821 ( -0.000 -0.000 -17.003) 17.003 6.821 ( 0.000 0.000 -17.003) 17.003 7.248 ( -0.000 -0.000 0.425) 0.425 7.248 ( 0.000 0.000 0.425) 0.425 8.558 ( -0.000 -0.000 -0.772) 0.772 8.558 ( -0.000 -0.000 -0.772) 0.772 8.615 ( -0.000 -0.000 11.132) 11.132 8.615 ( 0.000 0.000 11.132) 11.132 8.938 ( -0.000 -0.000 -0.384) 0.384 8.938 ( 0.000 0.000 -0.384) 0.384 9.629 ( -0.000 -0.000 5.837) 5.837 9.629 ( 0.000 0.000 5.837) 5.837 9.806 ( 0.000 0.000 3.238) 3.238 9.806 ( -0.000 -0.000 3.238) 3.238 9.864 ( -0.000 -0.000 4.154) 4.154 9.864 ( 0.000 0.000 4.154) 4.154 11.877 ( 0.000 0.000 -4.574) 4.574 11.877 ( 0.000 0.000 -4.574) 4.574 12.599 ( -0.000 -0.000 -8.000) 8.000 12.599 ( 0.000 0.000 -8.000) 8.000 13.485 ( 0.000 0.000 -22.026) 22.026 13.485 ( 0.000 0.000 -22.026) 22.026 14.453 ( 0.000 0.000 2.433) 2.433 14.453 ( 0.000 0.000 2.433) 2.433 15.199 ( 0.000 0.000 15.587) 15.587 15.199 ( 0.000 0.000 15.587) 15.587 19.899 ( -0.000 -0.000 -0.145) 0.145 19.899 ( 0.000 0.000 -0.145) 0.145 20.827 ( 0.000 0.000 0.631) 0.631 20.827 ( 0.000 0.000 0.631) 0.631 23.666 ( -0.000 -0.000 -21.957) 21.957 23.666 ( 0.000 0.000 -21.957) 21.957 23.935 ( 0.000 0.000 -4.701) 4.701 23.935 ( 0.000 0.000 -4.701) 4.701 26.239 ( 0.000 0.000 19.852) 19.852 26.239 ( 0.000 0.000 19.852) 19.852 ======================= Grid point 243 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 -0.000 0.005) 0.005 1.866 ( 0.000 0.000 21.907) 21.907 1.866 ( 0.000 0.000 21.907) 21.907 2.360 ( 0.000 -0.000 2.701) 2.701 2.360 ( 0.000 0.000 2.701) 2.701 2.655 ( -0.000 -0.000 -29.766) 29.766 2.948 ( 0.000 0.000 42.381) 42.381 3.506 ( 0.000 0.000 -17.914) 17.914 3.529 ( 0.000 0.000 -11.050) 11.050 3.529 ( -0.000 -0.000 -11.050) 11.050 4.466 ( 0.000 0.000 -19.138) 19.138 4.908 ( 0.000 0.000 -10.641) 10.641 4.908 ( 0.000 0.000 -10.641) 10.641 5.357 ( 0.000 0.000 -0.971) 0.971 5.357 ( 0.000 0.000 -0.971) 0.971 5.758 ( 0.000 -0.000 -12.616) 12.616 5.758 ( -0.000 0.000 -12.616) 12.616 5.811 ( 0.000 0.000 -6.767) 6.767 6.886 ( 0.000 0.000 26.126) 26.126 6.962 ( 0.000 0.000 -8.477) 8.477 7.084 ( 0.000 0.000 6.971) 6.971 7.084 ( 0.000 0.000 6.971) 6.971 7.447 ( 0.000 0.000 7.168) 7.168 7.747 ( 0.000 0.000 6.917) 6.917 8.832 ( 0.000 0.000 -11.390) 11.390 8.894 ( 0.000 0.000 21.816) 21.816 8.894 ( 0.000 0.000 21.816) 21.816 9.417 ( 0.000 0.000 -18.928) 18.928 9.544 ( 0.000 0.000 -6.878) 6.878 9.544 ( -0.000 -0.000 -6.878) 6.878 9.964 ( 0.000 0.000 -4.938) 4.938 9.964 ( 0.000 0.000 -4.938) 4.938 11.197 ( -0.000 -0.000 -7.547) 7.547 11.465 ( -0.000 -0.000 4.221) 4.221 11.465 ( 0.000 0.000 4.221) 4.221 11.614 ( -0.000 -0.000 -11.581) 11.581 12.246 ( 0.000 0.000 -3.743) 3.743 12.246 ( -0.000 -0.000 -3.743) 3.743 12.894 ( 0.000 0.000 2.835) 2.835 13.178 ( -0.000 -0.000 -5.388) 5.388 13.178 ( 0.000 0.000 -5.388) 5.388 13.914 ( 0.000 0.000 12.289) 12.289 15.067 ( 0.000 0.000 7.056) 7.056 16.164 ( -0.000 -0.000 -1.276) 1.276 19.635 ( 0.000 0.000 -0.103) 0.103 20.926 ( -0.000 -0.000 -0.408) 0.408 20.926 ( -0.000 -0.000 -0.408) 0.408 20.981 ( 0.000 0.000 -0.103) 0.103 20.981 ( 0.000 0.000 -0.103) 0.103 22.802 ( 0.000 0.000 -3.108) 3.108 23.034 ( 0.000 0.000 -11.458) 11.458 23.897 ( 0.000 0.000 -1.790) 1.790 26.183 ( 0.000 0.000 15.063) 15.063 27.490 ( 0.000 0.000 1.946) 1.946 ======================= Grid point 244 (47/90) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 4.392 0.000 0.484) 4.419 1.948 ( 6.407 0.000 15.682) 16.941 2.005 ( 11.923 0.000 24.356) 27.118 2.363 ( 2.440 0.000 6.351) 6.804 2.484 ( 10.674 0.000 4.468) 11.572 2.794 ( 13.590 0.000 -25.545) 28.935 3.113 ( 18.124 0.000 30.487) 35.468 3.410 ( -5.029 0.000 -15.701) 16.486 3.530 ( -0.135 0.000 -8.529) 8.530 3.771 ( 18.848 0.000 -12.401) 22.562 4.409 ( -5.724 0.000 -16.443) 17.411 4.883 ( -2.944 0.000 -11.985) 12.341 5.008 ( 8.478 0.000 -8.887) 12.282 5.185 ( -19.892 0.000 0.096) 19.892 5.264 ( -8.637 0.000 -0.076) 8.637 5.588 ( 3.068 0.000 -3.896) 4.959 5.733 ( -2.718 0.000 -12.910) 13.193 6.030 ( 10.750 0.000 -9.957) 14.652 6.707 ( -14.160 0.000 -5.021) 15.024 6.931 ( 3.771 0.000 21.181) 21.514 7.130 ( 5.297 0.000 9.108) 10.537 7.321 ( 13.394 0.000 2.103) 13.558 7.434 ( -1.270 0.000 6.588) 6.709 7.677 ( -6.684 0.000 6.832) 9.558 8.681 ( -10.535 0.000 -1.099) 10.592 8.964 ( 4.082 0.000 19.256) 19.684 9.031 ( 8.876 0.000 10.484) 13.737 9.292 ( -4.503 0.000 -10.523) 11.446 9.594 ( 5.243 0.000 -5.587) 7.661 9.669 ( 7.324 0.000 -6.980) 10.117 9.921 ( -4.327 0.000 -4.725) 6.407 10.369 ( 31.431 0.000 -19.380) 36.926 11.069 ( -10.735 0.000 -4.525) 11.650 11.375 ( -7.125 0.000 -3.026) 7.741 11.562 ( 7.376 0.000 2.482) 7.783 11.750 ( 9.616 0.000 -3.338) 10.179 12.145 ( -6.211 0.000 -7.895) 10.046 12.224 ( -2.473 0.000 -2.337) 3.402 12.899 ( 0.881 0.000 1.078) 1.392 13.050 ( -11.782 0.000 -5.664) 13.073 13.189 ( 0.954 0.000 -5.777) 5.855 14.106 ( 15.983 0.000 10.769) 19.273 15.037 ( -1.754 0.000 6.796) 7.018 16.142 ( -2.135 0.000 1.158) 2.429 19.643 ( 1.452 0.000 -0.294) 1.482 20.863 ( -7.748 0.000 -1.049) 7.819 20.928 ( 0.207 0.000 -0.393) 0.445 20.979 ( -0.244 0.000 -0.109) 0.267 21.268 ( 28.706 0.000 -7.423) 29.650 22.887 ( 8.487 0.000 -3.214) 9.075 23.057 ( 2.400 0.000 -11.585) 11.831 23.898 ( 0.016 0.000 -1.893) 1.893 26.213 ( 3.130 0.000 15.220) 15.538 27.393 ( -9.709 0.000 4.754) 10.810 ======================= Grid point 245 (48/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.787 0.000 -0.229) 8.790 1.993 ( -2.545 0.000 3.286) 4.156 2.219 ( 10.199 0.000 29.003) 30.744 2.526 ( 14.503 0.000 15.583) 21.287 2.692 ( 10.192 0.000 1.075) 10.248 3.131 ( 21.460 0.000 -17.232) 27.522 3.266 ( -4.958 0.000 -7.391) 8.900 3.503 ( -3.374 0.000 -1.539) 3.708 3.614 ( 25.472 0.000 6.488) 26.285 4.096 ( 6.701 0.000 -10.674) 12.602 4.324 ( 5.543 0.000 -10.063) 11.489 4.760 ( -11.726 0.000 -9.425) 15.044 4.799 ( -13.912 0.000 -6.535) 15.370 5.122 ( -3.621 0.000 -5.515) 6.597 5.245 ( 11.457 0.000 0.375) 11.463 5.651 ( -6.061 0.000 -14.006) 15.261 5.718 ( 5.562 0.000 0.831) 5.623 6.193 ( 4.004 0.000 -11.796) 12.457 6.586 ( 5.889 0.000 -3.665) 6.936 7.001 ( 3.679 0.000 12.711) 13.233 7.265 ( 6.236 0.000 11.795) 13.342 7.421 ( 2.090 0.000 5.198) 5.603 7.515 ( -8.304 0.000 5.609) 10.020 7.571 ( 12.825 0.000 0.843) 12.852 8.453 ( -13.673 0.000 -1.679) 13.776 8.928 ( -7.792 0.000 8.081) 11.226 9.204 ( 9.219 0.000 8.324) 12.421 9.320 ( 6.036 0.000 0.811) 6.090 9.725 ( 6.175 0.000 0.260) 6.180 9.817 ( 7.838 0.000 -5.015) 9.305 9.828 ( -2.677 0.000 -6.347) 6.888 10.745 ( 4.043 0.000 -18.047) 18.495 10.841 ( -13.250 0.000 -2.088) 13.413 11.209 ( -10.573 0.000 -5.286) 11.821 11.696 ( 6.663 0.000 2.931) 7.279 11.804 ( 0.390 0.000 -9.832) 9.840 12.152 ( -5.090 0.000 0.886) 5.166 12.271 ( 15.086 0.000 -5.691) 16.124 12.828 ( -7.220 0.000 -10.311) 12.587 12.940 ( 3.513 0.000 -2.825) 4.508 13.199 ( -0.194 0.000 -6.731) 6.734 14.276 ( -2.976 0.000 5.796) 6.516 15.123 ( 13.540 0.000 8.578) 16.028 16.084 ( -4.236 0.000 5.415) 6.875 19.709 ( 5.859 0.000 -0.807) 5.915 20.660 ( -13.298 0.000 -0.976) 13.334 20.933 ( 0.387 0.000 -0.353) 0.524 20.972 ( -0.438 0.000 -0.130) 0.457 21.895 ( 34.239 0.000 -18.223) 38.787 23.037 ( 3.296 0.000 -8.955) 9.542 23.165 ( 11.643 0.000 -6.849) 13.508 23.886 ( -1.673 0.000 -2.201) 2.765 26.302 ( 6.354 0.000 15.601) 16.845 27.162 ( -13.889 0.000 9.963) 17.093 ======================= Grid point 246 (49/90) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 11.031 0.000 -1.345) 11.113 1.884 ( -8.186 0.000 -0.494) 8.201 2.405 ( 10.102 0.000 23.864) 25.914 2.769 ( -4.091 0.000 2.958) 5.048 2.840 ( 17.421 0.000 15.561) 23.359 3.268 ( 7.840 0.000 -6.388) 10.113 3.382 ( -9.404 0.000 5.988) 11.149 3.573 ( 24.448 0.000 -7.886) 25.689 3.786 ( -10.946 0.000 -5.313) 12.167 4.178 ( 13.380 0.000 -5.781) 14.575 4.447 ( -20.201 0.000 -3.316) 20.471 4.552 ( -1.988 0.000 -17.285) 17.399 4.751 ( 18.495 0.000 -1.971) 18.599 5.156 ( 6.212 0.000 -15.474) 16.675 5.371 ( -2.352 0.000 3.756) 4.432 5.505 ( -9.274 0.000 -16.109) 18.588 5.769 ( 5.617 0.000 1.535) 5.823 6.183 ( -4.869 0.000 -5.492) 7.340 6.858 ( 17.104 0.000 -0.717) 17.119 7.078 ( 4.684 0.000 8.595) 9.789 7.264 ( -3.904 0.000 8.027) 8.926 7.336 ( -9.613 0.000 2.357) 9.898 7.594 ( 13.607 0.000 5.716) 14.759 7.911 ( 22.899 0.000 -1.428) 22.944 8.173 ( -15.723 0.000 -0.743) 15.741 8.718 ( -14.421 0.000 3.758) 14.903 9.369 ( 8.302 0.000 5.055) 9.720 9.457 ( 8.599 0.000 2.148) 8.863 9.657 ( -7.189 0.000 0.842) 7.238 9.883 ( -4.175 0.000 -4.287) 5.984 9.995 ( 14.108 0.000 -1.891) 14.234 10.575 ( -15.033 0.000 -0.410) 15.039 10.661 ( -4.105 0.000 -8.047) 9.034 10.985 ( -13.031 0.000 -5.068) 13.982 11.814 ( 5.987 0.000 3.955) 7.176 11.903 ( 8.701 0.000 -15.735) 17.981 12.043 ( -6.206 0.000 3.449) 7.100 12.302 ( -9.967 0.000 -5.739) 11.501 13.023 ( 4.930 0.000 -6.056) 7.809 13.039 ( 25.912 0.000 -10.181) 27.841 13.176 ( -2.362 0.000 -7.547) 7.908 14.026 ( -20.627 0.000 0.391) 20.631 15.460 ( 18.772 0.000 10.479) 21.498 15.971 ( -8.123 0.000 8.609) 11.836 19.865 ( 10.649 0.000 -1.003) 10.696 20.385 ( -15.380 0.000 -0.930) 15.408 20.942 ( 0.515 0.000 -0.294) 0.593 20.963 ( -0.550 0.000 -0.171) 0.576 22.468 ( 25.550 0.000 -20.680) 32.871 23.018 ( -4.884 0.000 -13.982) 14.810 23.428 ( 14.373 0.000 -4.051) 14.933 23.821 ( -5.595 0.000 -2.701) 6.213 26.451 ( 9.432 0.000 15.898) 18.485 26.897 ( -13.791 0.000 13.772) 19.490 ======================= Grid point 247 (50/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -10.716 0.000 -1.499) 10.820 1.703 ( 10.716 0.000 -1.499) 10.820 2.605 ( -10.876 0.000 12.927) 16.894 2.605 ( 10.876 0.000 12.927) 16.894 3.149 ( -14.927 0.000 12.166) 19.257 3.149 ( 14.927 0.000 12.166) 19.257 3.509 ( -15.477 0.000 -5.442) 16.406 3.509 ( 15.477 0.000 -5.442) 16.406 4.031 ( -23.665 0.000 -3.250) 23.887 4.031 ( 23.665 0.000 -3.250) 23.887 4.412 ( -10.257 0.000 -13.770) 17.170 4.412 ( 10.257 0.000 -13.770) 17.170 5.145 ( -18.562 0.000 -0.918) 18.585 5.145 ( 18.562 0.000 -0.918) 18.585 5.317 ( -10.079 0.000 -17.838) 20.489 5.317 ( 10.079 0.000 -17.838) 20.489 5.991 ( -14.135 0.000 2.689) 14.388 5.991 ( 14.135 0.000 2.689) 14.388 7.136 ( -12.346 0.000 -0.208) 12.347 7.136 ( 12.346 0.000 -0.208) 12.347 7.174 ( -5.232 0.000 7.301) 8.982 7.174 ( 5.232 0.000 7.301) 8.982 7.874 ( -15.746 0.000 2.328) 15.917 7.874 ( 15.746 0.000 2.328) 15.917 8.368 ( -22.917 0.000 0.222) 22.918 8.368 ( 22.917 0.000 0.222) 22.918 9.518 ( -7.582 0.000 2.347) 7.937 9.518 ( 7.582 0.000 2.347) 7.937 9.670 ( -14.019 0.000 -1.487) 14.098 9.670 ( 14.019 0.000 -1.487) 14.098 10.282 ( -15.826 0.000 0.071) 15.827 10.282 ( 15.826 0.000 0.071) 15.827 10.745 ( -11.006 0.000 -4.768) 11.994 10.745 ( 11.006 0.000 -4.768) 11.994 11.926 ( -6.083 0.000 4.345) 7.476 11.926 ( 6.083 0.000 4.345) 7.476 12.091 ( -10.979 0.000 -12.156) 16.380 12.091 ( 10.979 0.000 -12.156) 16.380 13.112 ( -4.278 0.000 -7.519) 8.651 13.112 ( 4.278 0.000 -7.519) 8.651 13.564 ( -27.532 0.000 -4.417) 27.884 13.564 ( 27.532 0.000 -4.417) 27.884 15.768 ( -13.623 0.000 10.355) 17.112 15.768 ( 13.623 0.000 10.355) 17.112 20.102 ( -14.237 0.000 -0.959) 14.269 20.102 ( 14.237 0.000 -0.959) 14.269 20.952 ( -0.574 0.000 -0.229) 0.618 20.952 ( 0.574 0.000 -0.229) 0.618 22.842 ( -14.308 0.000 -17.819) 22.852 22.842 ( 14.308 0.000 -17.819) 22.852 23.668 ( -10.656 0.000 -3.333) 11.164 23.668 ( 10.656 0.000 -3.333) 11.164 26.653 ( -11.995 0.000 15.539) 19.630 26.653 ( 11.995 0.000 15.539) 19.630 ======================= Grid point 253 (51/90) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 8.359 8.359 -0.265) 11.824 2.061 ( 8.078 8.078 14.337) 18.332 2.071 ( 7.468 7.468 22.902) 25.219 2.446 ( 6.178 6.178 9.648) 13.017 2.520 ( 6.243 6.243 6.003) 10.676 2.911 ( 11.794 11.794 -22.465) 27.980 3.280 ( 17.626 17.626 20.774) 32.449 3.395 ( -1.571 -1.571 -15.092) 15.254 3.622 ( 3.976 3.976 -8.949) 10.569 3.855 ( 12.492 12.492 -8.776) 19.726 4.347 ( -6.156 -6.156 -13.693) 16.226 4.943 ( -16.554 -16.554 -3.506) 23.672 4.960 ( -0.584 -0.584 -10.343) 10.376 4.965 ( 1.253 1.253 -5.701) 5.969 5.325 ( 1.407 1.407 0.530) 2.059 5.539 ( 0.785 0.785 -3.210) 3.397 5.834 ( 4.142 4.142 -14.097) 15.266 6.039 ( 3.012 3.012 -8.918) 9.883 6.607 ( -7.872 -7.872 -4.714) 12.090 6.958 ( 2.191 2.191 16.606) 16.893 7.177 ( 5.559 5.559 10.987) 13.511 7.398 ( 3.747 3.747 1.740) 5.577 7.451 ( 4.033 4.033 5.391) 7.848 7.603 ( -6.953 -6.953 6.472) 11.772 8.645 ( -4.720 -4.720 -2.545) 7.144 8.974 ( 0.930 0.930 16.363) 16.416 9.107 ( 6.401 6.401 11.998) 15.031 9.267 ( -1.285 -1.285 -8.484) 8.677 9.581 ( 1.803 1.803 -5.800) 6.336 9.731 ( 4.830 4.830 -2.954) 7.442 9.955 ( -0.472 -0.472 -3.943) 3.999 10.527 ( 14.283 14.283 -21.758) 29.688 11.069 ( -2.242 -2.242 -4.832) 5.779 11.173 ( -11.321 -11.321 -0.338) 16.014 11.654 ( -9.360 -9.360 -3.120) 13.599 11.847 ( 16.623 16.623 2.367) 23.628 11.936 ( -6.118 -6.118 -6.724) 10.958 12.409 ( 8.491 8.491 -8.283) 14.588 12.893 ( -0.026 -0.026 -2.200) 2.201 13.062 ( -4.729 -4.729 -5.883) 8.907 13.101 ( -2.640 -2.640 -5.825) 6.919 14.271 ( 14.883 14.883 11.056) 23.775 14.984 ( -4.269 -4.269 6.172) 8.634 16.124 ( -1.903 -1.903 3.024) 4.048 19.640 ( 0.530 0.530 -0.228) 0.783 20.790 ( -7.179 -7.179 -0.676) 10.175 20.936 ( -0.365 -0.365 -1.050) 1.170 20.996 ( 0.760 0.760 0.628) 1.244 21.503 ( 24.055 24.055 -13.300) 36.527 22.969 ( 8.229 8.229 -3.148) 12.056 23.079 ( 2.196 2.196 -11.907) 12.305 23.902 ( 0.209 0.209 -2.004) 2.026 26.239 ( 2.830 2.830 15.343) 15.856 27.308 ( -8.459 -8.459 6.885) 13.803 ======================= Grid point 254 (52/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 10.273 12.975 -0.918) 16.575 2.106 ( -1.933 10.554 4.905) 11.797 2.262 ( 9.644 4.047 25.683) 27.731 2.627 ( 13.358 8.801 16.448) 22.944 2.695 ( 10.798 1.067 1.509) 10.955 3.212 ( 19.054 8.004 -13.821) 24.862 3.326 ( -4.133 6.385 -10.399) 12.883 3.613 ( 3.213 8.638 -4.910) 10.442 3.743 ( 17.587 11.773 4.370) 21.610 4.092 ( 0.722 2.382 -4.843) 5.445 4.276 ( 9.443 -3.651 -7.263) 12.460 4.652 ( -11.542 -11.903 -6.732) 17.895 4.818 ( -10.113 3.574 -9.155) 14.102 5.080 ( 4.183 -3.502 -2.968) 6.210 5.346 ( 4.188 8.910 -3.104) 10.324 5.600 ( 0.118 -4.496 -3.370) 5.620 5.844 ( -0.387 11.418 -11.117) 15.941 6.149 ( 5.241 -3.565 -11.064) 12.751 6.549 ( 5.491 -3.297 -2.604) 6.914 7.003 ( 2.748 0.087 10.396) 10.754 7.311 ( 5.632 4.104 10.486) 12.591 7.410 ( -1.979 -2.075 2.985) 4.139 7.467 ( -2.752 -3.054 5.816) 7.122 7.609 ( 11.361 4.066 0.655) 12.084 8.496 ( -10.738 3.952 -2.091) 11.632 8.930 ( -6.474 -0.260 8.095) 10.369 9.243 ( 7.794 3.448 7.918) 11.633 9.304 ( 4.988 -1.514 0.912) 5.292 9.673 ( 7.250 -4.092 -4.371) 9.403 9.784 ( -1.621 3.126 2.167) 4.135 9.936 ( 1.272 2.489 -4.250) 5.087 10.700 ( -0.658 0.341 -10.401) 10.427 10.898 ( -11.444 0.595 -7.307) 13.591 11.060 ( -5.609 -13.507 -1.344) 14.687 11.397 ( -10.057 -23.618 -4.296) 26.027 11.869 ( -2.491 3.868 -3.621) 5.854 12.223 ( 15.860 14.715 0.319) 21.637 12.566 ( 11.847 12.848 -8.976) 19.647 12.819 ( -9.796 2.753 -9.869) 14.175 12.973 ( 3.159 2.750 -6.083) 7.385 13.128 ( 1.449 -6.490 -7.781) 10.235 14.426 ( -5.338 15.662 7.224) 18.055 15.038 ( 14.655 -8.947 8.050) 18.964 16.068 ( -4.236 -1.727 6.373) 7.845 19.689 ( 5.018 -1.280 -0.521) 5.205 20.599 ( -12.637 -6.170 -0.702) 14.080 20.929 ( -0.111 -0.914 -0.762) 1.195 20.992 ( -0.891 1.455 0.581) 1.802 22.048 ( 30.424 15.553 -20.447) 39.819 23.093 ( 1.458 5.152 -10.772) 12.029 23.203 ( 12.978 4.321 -5.321) 14.677 23.895 ( -1.310 0.767 -2.330) 2.780 26.320 ( 5.796 1.974 15.646) 16.801 27.104 ( -12.390 -5.798 10.965) 17.532 ======================= Grid point 255 (53/90) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 10.619 13.845 -0.727) 17.463 2.010 ( -7.501 11.705 0.775) 13.924 2.444 ( 10.095 4.264 21.254) 23.913 2.760 ( -1.041 1.420 4.545) 4.874 2.983 ( 18.266 9.134 11.279) 23.330 3.283 ( 2.885 4.790 -3.562) 6.630 3.561 ( -5.703 13.707 5.092) 15.695 3.622 ( 21.025 5.987 -7.096) 22.984 3.764 ( -13.197 -2.741 -4.683) 14.269 4.153 ( 7.245 0.775 -6.272) 9.614 4.441 ( -9.957 -3.053 -6.425) 12.236 4.613 ( -7.015 6.255 -15.873) 18.447 4.665 ( 19.237 -5.506 -0.005) 20.009 5.148 ( 2.234 -3.535 -7.842) 8.887 5.426 ( -0.571 6.706 -4.186) 7.926 5.543 ( -1.216 1.552 -6.314) 6.615 5.837 ( 1.764 8.989 -5.795) 10.840 6.171 ( -3.742 -0.218 -5.860) 6.956 6.781 ( 14.669 -6.933 -0.624) 16.237 7.055 ( 1.971 -2.902 7.102) 7.921 7.287 ( -5.976 -4.189 -0.057) 7.298 7.315 ( -2.918 3.592 4.505) 6.459 7.636 ( 13.837 4.246 6.435) 15.840 7.897 ( 18.075 -0.213 -1.290) 18.122 8.271 ( -11.033 9.496 0.270) 14.559 8.743 ( -13.433 2.740 4.146) 14.323 9.391 ( 7.433 -0.175 2.786) 7.939 9.406 ( 5.167 -3.508 3.978) 7.405 9.692 ( -3.866 3.716 2.521) 5.926 9.863 ( 9.455 -3.923 -0.614) 10.255 9.932 ( -3.370 -3.783 -3.923) 6.408 10.492 ( -18.666 -6.578 -0.560) 19.799 10.714 ( -2.959 2.182 -5.562) 6.668 10.943 ( -7.473 -8.713 -1.052) 11.527 11.387 ( 6.665 -23.759 -5.477) 25.276 11.762 ( -8.952 -4.824 -0.496) 10.181 12.382 ( 4.598 19.351 -7.133) 21.131 12.598 ( -7.974 17.429 -9.123) 21.227 12.921 ( 12.667 -5.225 -4.793) 14.516 13.084 ( 3.097 -2.661 -6.568) 7.734 13.204 ( 15.670 7.764 -11.182) 20.757 14.139 ( -21.682 11.775 1.829) 24.741 15.407 ( 20.280 -5.354 10.328) 23.380 15.952 ( -8.511 -2.119 8.945) 12.528 19.832 ( 10.101 -2.797 -0.771) 10.510 20.335 ( -14.897 -4.986 -0.755) 15.728 20.933 ( 0.501 -1.235 -0.392) 1.389 20.970 ( -1.274 0.427 0.310) 1.379 22.563 ( 23.240 9.696 -21.196) 32.915 23.067 ( -4.499 4.904 -14.367) 15.833 23.466 ( 13.843 3.900 -3.942) 14.913 23.838 ( -5.103 1.629 -2.831) 6.059 26.456 ( 8.664 0.660 15.878) 18.100 26.866 ( -12.549 -3.182 14.072) 19.121 ======================= Grid point 256 (54/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -9.889 12.828 -0.133) 16.197 1.844 ( 9.889 12.828 -0.133) 16.197 2.637 ( -9.804 3.713 10.702) 14.981 2.637 ( 9.804 3.713 10.702) 14.981 3.296 ( -11.869 11.260 10.228) 19.294 3.296 ( 11.869 11.260 10.228) 19.294 3.505 ( -9.817 1.329 -2.597) 10.242 3.505 ( 9.817 1.329 -2.597) 10.242 4.022 ( -18.860 -0.275 -2.695) 19.053 4.022 ( 18.860 -0.275 -2.695) 19.053 4.441 ( -8.681 2.916 -14.472) 17.126 4.441 ( 8.681 2.916 -14.472) 17.126 5.028 ( -14.933 -7.583 -4.409) 17.319 5.028 ( 14.933 -7.583 -4.409) 17.319 5.468 ( -6.408 10.313 -10.758) 16.222 5.468 ( 6.408 10.313 -10.758) 16.222 6.001 ( -12.488 2.472 -0.001) 12.730 6.001 ( 12.488 2.472 -0.001) 12.730 7.006 ( -8.224 -8.673 1.401) 12.034 7.006 ( 8.224 -8.673 1.401) 12.034 7.253 ( -2.483 3.133 1.820) 4.392 7.253 ( 2.483 3.133 1.820) 4.392 7.908 ( -13.862 3.500 2.396) 14.496 7.908 ( 13.862 3.500 2.396) 14.496 8.414 ( -20.720 5.279 1.585) 21.441 8.414 ( 20.720 5.279 1.585) 21.441 9.470 ( -1.259 -3.892 3.047) 5.101 9.470 ( 1.259 -3.892 3.047) 5.101 9.729 ( -9.580 4.299 -1.307) 10.582 9.729 ( 9.580 4.299 -1.307) 10.582 10.147 ( -16.566 -10.487 -0.033) 19.606 10.147 ( 16.566 -10.487 -0.033) 19.606 10.786 ( -8.036 -2.236 -1.429) 8.463 10.786 ( 8.036 -2.236 -1.429) 8.463 11.564 ( -10.950 -15.225 -1.941) 18.854 11.564 ( 10.950 -15.225 -1.941) 18.854 12.471 ( -5.469 19.086 -9.566) 22.038 12.471 ( 5.469 19.086 -9.566) 22.038 13.053 ( -4.034 -4.901 -7.349) 9.711 13.053 ( 4.034 -4.901 -7.349) 9.711 13.671 ( -27.092 11.207 -3.149) 29.487 13.671 ( 27.092 11.207 -3.149) 29.487 15.737 ( -14.477 -3.250 10.343) 18.086 15.737 ( 14.477 -3.250 10.343) 18.086 20.060 ( -13.812 -3.937 -0.799) 14.384 20.060 ( 13.812 -3.937 -0.799) 14.384 20.948 ( -1.044 -0.730 -0.027) 1.274 20.948 ( 1.044 -0.730 -0.027) 1.274 22.905 ( -13.136 6.440 -18.018) 23.210 22.905 ( 13.136 6.440 -18.018) 23.210 23.696 ( -10.080 2.711 -3.412) 10.981 23.696 ( 10.080 2.711 -3.412) 10.981 26.643 ( -11.020 -1.046 15.560) 19.096 26.643 ( 11.020 -1.046 15.560) 19.096 ======================= Grid point 263 (55/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 12.795 12.795 -0.249) 18.096 2.284 ( 3.349 3.349 5.278) 7.091 2.363 ( 8.914 8.914 19.832) 23.500 2.755 ( 6.026 6.026 -0.594) 8.543 2.811 ( 10.347 10.347 14.132) 20.343 3.379 ( 7.723 7.723 -3.866) 11.586 3.508 ( 12.575 12.575 -10.280) 20.542 3.701 ( 0.803 0.803 -6.947) 7.039 3.873 ( -2.313 -2.313 -6.369) 7.160 4.265 ( 14.336 14.336 2.562) 20.435 4.305 ( 7.270 7.270 5.185) 11.515 4.434 ( -9.624 -9.624 -8.291) 15.937 4.823 ( -2.144 -2.144 -10.630) 11.054 5.048 ( -0.427 -0.427 -3.659) 3.708 5.496 ( 4.842 4.842 -4.011) 7.936 5.530 ( -1.098 -1.098 -1.699) 2.302 6.066 ( 7.808 7.808 -17.556) 20.739 6.131 ( 4.833 4.833 -7.598) 10.220 6.506 ( 0.775 0.775 -0.756) 1.332 7.003 ( -0.290 -0.290 6.886) 6.898 7.255 ( -7.487 -7.487 0.992) 10.635 7.409 ( -0.460 -0.460 0.404) 0.766 7.524 ( 9.833 9.833 10.484) 17.415 7.723 ( 8.579 8.579 -0.635) 12.149 8.559 ( 1.131 1.131 -2.427) 2.907 8.896 ( -3.257 -3.257 8.406) 9.585 9.244 ( -2.900 -2.900 -3.627) 5.475 9.351 ( 6.563 6.563 11.123) 14.486 9.644 ( 0.693 0.693 -2.232) 2.438 9.840 ( 0.815 0.815 5.982) 6.092 9.930 ( -0.675 -0.675 -1.476) 1.757 10.674 ( -14.964 -14.964 1.099) 21.191 10.761 ( -3.860 -3.860 -1.166) 5.582 10.906 ( -22.758 -22.758 -3.781) 32.407 10.982 ( 2.797 2.797 -10.740) 11.446 11.929 ( -0.131 -0.131 -4.642) 4.645 12.516 ( 7.605 7.605 -6.643) 12.642 12.658 ( 8.740 8.740 -2.767) 12.667 12.895 ( -2.480 -2.480 -5.099) 6.189 13.035 ( -0.499 -0.499 -10.817) 10.840 13.104 ( 13.472 13.472 -15.240) 24.398 14.778 ( -6.053 -6.053 4.488) 9.665 14.841 ( 14.246 14.246 11.033) 22.970 16.013 ( -4.490 -4.490 8.150) 10.332 19.695 ( 2.513 2.513 -0.349) 3.571 20.439 ( -10.651 -10.651 -0.473) 15.071 20.907 ( -1.114 -1.114 -0.675) 1.714 20.996 ( -1.161 -1.161 0.990) 1.917 22.418 ( 21.635 21.635 -22.630) 38.056 23.175 ( 2.548 2.548 -13.750) 14.214 23.347 ( 10.757 10.757 -3.371) 15.581 23.904 ( -0.243 -0.243 -2.693) 2.715 26.378 ( 4.202 4.202 15.760) 16.843 26.961 ( -8.892 -8.892 13.015) 18.097 ======================= Grid point 264 (56/90) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.192 13.283 2.546) 16.935 2.239 ( -6.016 10.189 4.459) 12.645 2.565 ( 11.065 8.594 12.252) 18.612 2.832 ( 0.341 6.119 -0.126) 6.130 3.062 ( 15.569 1.096 2.956) 15.885 3.475 ( 3.905 12.226 5.301) 13.886 3.629 ( -9.722 -7.765 -2.362) 12.665 3.752 ( 10.411 10.358 2.365) 14.875 3.820 ( 0.483 5.233 -5.729) 7.774 4.254 ( -7.175 5.895 4.095) 10.149 4.315 ( -0.238 -8.206 -10.703) 13.489 4.643 ( 15.136 2.741 2.942) 15.661 4.759 ( -5.289 9.330 -15.042) 18.473 5.025 ( -1.994 -8.482 -6.592) 10.926 5.554 ( 2.791 5.702 -3.874) 7.437 5.584 ( 6.157 4.480 -0.034) 7.614 6.090 ( -1.008 15.938 -13.202) 20.720 6.236 ( 0.428 7.983 -8.192) 11.446 6.633 ( 10.962 -8.072 -1.986) 13.758 6.956 ( -5.276 -8.121 2.038) 9.896 7.189 ( 1.726 -4.651 -2.716) 5.656 7.362 ( -4.062 0.336 -0.965) 4.188 7.765 ( 14.574 10.000 7.183) 19.079 7.950 ( 14.223 6.779 -0.600) 15.768 8.497 ( -5.908 13.796 1.337) 15.067 8.808 ( -8.057 3.165 5.792) 10.415 9.225 ( 3.079 -11.462 -1.321) 11.941 9.468 ( 2.918 4.730 9.659) 11.143 9.693 ( 5.039 -8.193 -1.743) 9.776 9.801 ( -3.144 3.900 6.368) 8.102 9.917 ( -2.028 0.443 -0.945) 2.281 10.366 ( -21.298 -6.956 0.100) 22.405 10.483 ( -8.172 -24.577 1.317) 25.933 10.664 ( -8.555 -21.589 2.295) 23.335 11.204 ( 15.864 6.051 -8.904) 19.172 11.808 ( -12.225 5.924 -3.650) 14.066 12.562 ( 2.999 -2.322 -9.754) 10.466 12.745 ( -4.663 -0.697 -9.246) 10.379 12.928 ( 6.930 6.064 -6.615) 11.338 13.036 ( -0.204 0.074 -11.920) 11.922 13.475 ( 24.884 20.147 -6.726) 32.716 14.428 ( -22.092 16.233 3.553) 27.644 15.284 ( 22.594 -6.223 10.330) 25.611 15.886 ( -9.376 -5.129 9.545) 14.329 19.792 ( 7.771 -0.769 -0.430) 7.821 20.214 ( -12.770 -7.546 -0.464) 14.840 20.897 ( 0.228 -2.280 -0.211) 2.301 20.959 ( -2.416 -1.830 0.817) 3.139 22.797 ( 17.641 13.979 -21.353) 31.025 23.177 ( -2.747 5.789 -15.361) 16.644 23.567 ( 11.702 6.610 -3.750) 13.953 23.871 ( -3.619 1.456 -3.202) 5.047 26.478 ( 6.481 1.758 15.834) 17.199 26.787 ( -9.351 -4.960 14.717) 18.128 ======================= Grid point 265 (57/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -8.690 12.146 4.129) 15.495 2.096 ( 8.690 12.146 4.129) 15.495 2.752 ( -8.043 8.472 3.299) 12.139 2.752 ( 8.043 8.472 3.299) 12.139 3.352 ( -14.514 -3.158 -2.344) 15.037 3.352 ( 14.514 -3.158 -2.344) 15.037 3.655 ( -10.365 10.612 10.976) 18.453 3.655 ( 10.365 10.612 10.976) 18.453 4.031 ( -13.718 0.289 -0.994) 13.757 4.031 ( 13.718 0.289 -0.994) 13.757 4.500 ( -14.447 1.645 -10.582) 17.983 4.500 ( 14.447 1.645 -10.582) 17.983 4.926 ( -9.279 -1.993 -5.838) 11.142 4.926 ( 9.279 -1.993 -5.838) 11.142 5.627 ( -2.875 7.078 -3.466) 8.390 5.627 ( 2.875 7.078 -3.466) 8.390 6.145 ( -7.095 12.735 -7.449) 16.371 6.145 ( 7.095 12.735 -7.449) 16.371 6.826 ( -8.585 -10.498 -2.972) 13.883 6.826 ( 8.585 -10.498 -2.972) 13.883 7.269 ( -5.366 -1.243 -2.139) 5.909 7.269 ( 5.366 -1.243 -2.139) 5.909 8.021 ( -9.780 9.433 2.336) 13.787 8.021 ( 9.780 9.433 2.336) 13.787 8.565 ( -14.572 10.011 4.633) 18.277 8.565 ( 14.572 10.011 4.633) 18.277 9.372 ( -10.331 -7.368 2.508) 12.935 9.372 ( 10.331 -7.368 2.508) 12.935 9.776 ( -0.737 0.302 1.508) 1.706 9.776 ( 0.737 0.302 1.508) 1.706 9.993 ( -14.444 -4.795 0.939) 15.248 9.993 ( 14.444 -4.795 0.939) 15.248 10.509 ( -6.806 -23.836 3.611) 25.050 10.509 ( 6.806 -23.836 3.611) 25.050 11.521 ( -17.020 7.198 -5.338) 19.235 11.521 ( 17.020 7.198 -5.338) 19.235 12.644 ( -5.245 -1.669 -9.519) 10.995 12.644 ( 5.245 -1.669 -9.519) 10.995 13.014 ( -2.455 2.207 -11.661) 12.120 13.014 ( 2.455 2.207 -11.661) 12.120 13.970 ( -26.164 19.454 0.078) 32.604 13.970 ( 26.164 19.454 0.078) 32.604 15.649 ( -15.981 -5.978 10.297) 19.929 15.649 ( 15.981 -5.978 10.297) 19.929 19.979 ( -11.682 -4.168 -0.484) 12.413 19.979 ( 11.682 -4.168 -0.484) 12.413 20.917 ( -1.790 -2.508 0.350) 3.102 20.917 ( 1.790 -2.508 0.350) 3.102 23.059 ( -10.009 9.027 -18.216) 22.660 23.059 ( 10.009 9.027 -18.216) 22.660 23.759 ( -8.261 3.714 -3.657) 9.768 23.759 ( 8.261 3.714 -3.657) 9.768 26.619 ( -8.332 -1.343 15.600) 17.737 26.619 ( 8.332 -1.343 15.600) 17.737 ======================= Grid point 273 (58/90) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 8.868 8.868 7.128) 14.425 2.331 ( -0.366 -0.366 8.314) 8.330 2.761 ( 11.280 11.280 0.597) 15.963 2.955 ( 4.303 4.303 -4.907) 7.817 3.111 ( 5.880 5.880 -2.794) 8.773 3.463 ( -9.110 -9.110 -3.622) 13.383 3.676 ( 8.398 8.398 13.094) 17.678 3.864 ( 3.252 3.252 -7.579) 8.865 3.924 ( 2.960 2.960 13.063) 13.718 4.137 ( -6.366 -6.366 -8.141) 12.138 4.306 ( -0.080 -0.080 8.224) 8.225 4.662 ( -6.235 -6.235 2.491) 9.163 4.893 ( 2.562 2.562 -13.843) 14.309 4.940 ( 3.662 3.662 -10.747) 11.930 5.676 ( 6.462 6.462 -4.824) 10.334 5.706 ( 8.576 8.576 5.024) 13.127 6.344 ( 5.686 5.686 -20.183) 21.726 6.397 ( 7.446 7.446 -7.710) 13.051 6.538 ( 0.829 0.829 -2.716) 2.958 6.758 ( -11.057 -11.057 -6.028) 16.759 7.157 ( 1.449 1.449 -3.117) 3.730 7.323 ( -4.132 -4.132 -3.842) 6.993 8.015 ( 15.978 15.978 5.920) 23.359 8.161 ( 14.443 14.443 1.442) 20.477 8.745 ( 7.426 7.426 -0.508) 10.514 8.813 ( -0.780 -0.780 9.193) 9.259 9.023 ( -7.148 -7.148 1.627) 10.239 9.478 ( -10.206 -10.206 4.469) 15.110 9.610 ( 4.445 4.445 4.656) 7.823 9.861 ( 0.546 0.546 6.184) 6.232 9.924 ( 0.211 0.211 1.180) 1.217 10.068 ( -12.986 -12.986 1.255) 18.408 10.213 ( -18.437 -18.437 5.550) 26.658 10.227 ( -12.543 -12.543 0.034) 17.738 11.422 ( 14.238 14.238 -7.601) 21.523 11.857 ( -3.053 -3.053 -4.025) 5.903 12.479 ( -2.032 -2.032 -8.838) 9.293 12.653 ( -7.056 -7.056 -7.014) 12.197 13.035 ( 3.925 3.925 -14.303) 15.343 13.063 ( 1.480 1.480 -15.782) 15.920 13.907 ( 24.099 24.099 -0.876) 34.093 14.579 ( -3.967 -3.967 3.102) 6.411 15.284 ( 8.641 8.641 10.786) 16.299 15.749 ( -9.566 -9.566 9.985) 16.814 19.817 ( 3.449 3.449 -0.269) 4.885 20.063 ( -8.224 -8.224 -0.287) 11.634 20.862 ( -1.070 -1.070 0.175) 1.524 20.910 ( -2.910 -2.910 0.892) 4.211 23.046 ( 11.600 11.600 -20.024) 25.885 23.250 ( 1.280 1.280 -16.523) 16.621 23.703 ( 7.286 7.286 -3.883) 11.012 23.877 ( -1.107 -1.107 -3.693) 4.011 26.525 ( 3.182 3.182 15.772) 16.401 26.689 ( -5.199 -5.199 15.294) 16.969 ======================= Grid point 274 (59/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -5.847 5.539 8.878) 11.987 2.263 ( 5.847 5.539 8.878) 11.987 2.934 ( -5.933 9.623 -4.934) 12.335 2.934 ( 5.933 9.623 -4.934) 12.335 3.279 ( -10.311 -3.634 -6.132) 12.534 3.279 ( 10.311 -3.634 -6.132) 12.534 3.819 ( -8.311 6.574 15.824) 19.045 3.819 ( 8.311 6.574 15.824) 19.045 4.004 ( -9.238 -2.214 -2.231) 9.758 4.004 ( 9.238 -2.214 -2.231) 9.758 4.445 ( -12.935 -6.443 1.551) 14.534 4.445 ( 12.935 -6.443 1.551) 14.534 4.959 ( -2.282 3.509 -11.013) 11.781 4.959 ( 2.282 3.509 -11.013) 11.781 5.782 ( -2.434 9.350 0.992) 9.713 5.782 ( 2.434 9.350 0.992) 9.713 6.400 ( -5.490 11.239 -12.666) 17.801 6.400 ( 5.490 11.239 -12.666) 17.801 6.622 ( -5.123 -9.965 -8.972) 14.354 6.622 ( 5.123 -9.965 -8.972) 14.354 7.228 ( -5.264 -2.407 -4.154) 7.124 7.228 ( 5.264 -2.407 -4.154) 7.124 8.287 ( -7.947 18.562 3.006) 20.414 8.287 ( 7.947 18.562 3.006) 20.414 8.751 ( -7.211 8.505 6.894) 13.110 8.751 ( 7.211 8.505 6.894) 13.110 9.166 ( -17.957 -14.594 1.244) 23.173 9.166 ( 17.957 -14.594 1.244) 23.173 9.777 ( -11.516 -0.001 5.033) 12.568 9.777 ( 11.516 -0.001 5.033) 12.568 9.923 ( -2.329 -4.773 2.704) 5.959 9.923 ( 2.329 -4.773 2.704) 5.959 10.076 ( -6.150 -17.180 3.541) 18.588 10.076 ( 6.150 -17.180 3.541) 18.588 11.689 ( -13.086 8.524 -5.495) 16.556 11.689 ( 13.086 8.524 -5.495) 16.556 12.525 ( -5.728 -7.665 -7.825) 12.361 12.525 ( 5.728 -7.665 -7.825) 12.361 13.074 ( -0.480 2.640 -16.328) 16.547 13.074 ( 0.480 2.640 -16.328) 16.547 14.329 ( -19.613 16.474 2.095) 25.699 14.329 ( 19.613 16.474 2.095) 25.699 15.526 ( -13.844 -6.451 10.324) 18.435 15.526 ( 13.844 -6.451 10.324) 18.435 19.917 ( -6.907 -2.249 -0.235) 7.267 19.917 ( 6.907 -2.249 -0.235) 7.267 20.866 ( -1.462 -2.469 0.610) 2.933 20.866 ( 1.462 -2.469 0.610) 2.933 23.211 ( -5.526 6.272 -18.061) 19.901 23.211 ( 5.526 6.272 -18.061) 19.901 23.821 ( -4.879 2.536 -4.006) 6.803 23.821 ( 4.879 2.536 -4.006) 6.803 26.597 ( -4.461 -0.852 15.630) 16.276 26.597 ( 4.461 -0.852 15.630) 16.276 ======================= Grid point 287 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 0.000 10.349) 10.349 2.313 ( 0.000 0.000 10.349) 10.349 3.044 ( -0.000 -0.000 -5.511) 5.511 3.044 ( 0.000 0.000 -5.511) 5.511 3.238 ( -0.000 -0.000 -11.461) 11.461 3.238 ( -0.000 -0.000 -11.461) 11.461 3.870 ( -0.000 -0.000 23.014) 23.014 3.870 ( 0.000 0.000 23.014) 23.014 4.000 ( -0.000 -0.000 -7.553) 7.553 4.000 ( 0.000 0.000 -7.553) 7.553 4.356 ( -0.000 -0.000 6.365) 6.365 4.356 ( 0.000 0.000 6.365) 6.365 4.997 ( 0.000 0.000 -11.849) 11.849 4.997 ( 0.000 0.000 -11.849) 11.849 5.900 ( 0.000 0.000 5.812) 5.812 5.900 ( 0.000 0.000 5.812) 5.812 6.449 ( -0.000 -0.000 -20.720) 20.720 6.449 ( 0.000 0.000 -20.720) 20.720 6.567 ( -0.000 -0.000 -8.898) 8.898 6.567 ( 0.000 0.000 -8.898) 8.898 7.202 ( -0.000 -0.000 -4.435) 4.435 7.202 ( 0.000 0.000 -4.435) 4.435 8.588 ( -0.000 -0.000 3.384) 3.384 8.588 ( 0.000 0.000 3.384) 3.384 8.822 ( 0.000 0.000 9.577) 9.577 8.822 ( 0.000 0.000 9.577) 9.577 8.931 ( -0.000 -0.000 -0.367) 0.367 8.931 ( 0.000 0.000 -0.367) 0.367 9.735 ( -0.000 -0.000 5.146) 5.146 9.735 ( 0.000 0.000 5.146) 5.146 9.874 ( 0.000 0.000 3.413) 3.413 9.874 ( -0.000 -0.000 3.413) 3.413 9.942 ( -0.000 -0.000 3.668) 3.668 9.942 ( 0.000 0.000 3.668) 3.668 11.781 ( 0.000 0.000 -5.051) 5.051 11.781 ( 0.000 0.000 -5.051) 5.051 12.439 ( -0.000 -0.000 -8.038) 8.038 12.439 ( 0.000 0.000 -8.038) 8.038 13.099 ( 0.000 0.000 -17.374) 17.374 13.099 ( 0.000 0.000 -17.374) 17.374 14.502 ( -0.000 -0.000 2.544) 2.544 14.502 ( 0.000 0.000 2.544) 2.544 15.452 ( 0.000 0.000 10.471) 10.471 15.452 ( 0.000 0.000 10.471) 10.471 19.896 ( -0.000 -0.000 -0.145) 0.145 19.896 ( 0.000 0.000 -0.145) 0.145 20.840 ( 0.000 0.000 0.692) 0.692 20.840 ( 0.000 0.000 0.692) 0.692 23.273 ( -0.000 -0.000 -17.898) 17.898 23.273 ( 0.000 0.000 -17.898) 17.898 23.846 ( 0.000 0.000 -4.193) 4.193 23.846 ( 0.000 0.000 -4.193) 4.193 26.589 ( 0.000 0.000 15.639) 15.639 26.589 ( 0.000 0.000 15.639) 15.639 ======================= Grid point 324 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 -0.005) 0.005 2.119 ( 0.000 0.000 4.788) 4.788 2.119 ( 0.000 0.000 4.788) 4.788 2.170 ( 0.000 0.000 -18.989) 18.989 2.486 ( 0.000 0.000 9.151) 9.151 2.486 ( 0.000 0.000 9.151) 9.151 3.213 ( 0.000 0.000 -11.333) 11.333 3.316 ( 0.000 0.000 -9.448) 9.448 3.316 ( 0.000 0.000 -9.448) 9.448 3.639 ( 0.000 0.000 27.412) 27.412 4.154 ( 0.000 0.000 -12.170) 12.170 4.788 ( 0.000 0.000 -2.512) 2.512 4.788 ( 0.000 0.000 -2.512) 2.512 5.340 ( -0.000 -0.000 -0.150) 0.150 5.340 ( 0.000 -0.000 -0.150) 0.150 5.531 ( 0.000 0.000 -10.240) 10.240 5.531 ( -0.000 0.000 -10.240) 10.240 5.675 ( 0.000 0.000 -6.575) 6.575 6.826 ( -0.000 -0.000 -5.178) 5.178 7.207 ( 0.000 0.000 5.067) 5.067 7.207 ( 0.000 0.000 5.067) 5.067 7.331 ( 0.000 0.000 18.763) 18.763 7.566 ( -0.000 -0.000 4.640) 4.640 7.854 ( 0.000 0.000 3.963) 3.963 8.604 ( 0.000 0.000 -11.178) 11.178 9.094 ( -0.000 -0.000 -13.070) 13.070 9.258 ( -0.000 -0.000 15.213) 15.213 9.258 ( 0.000 0.000 15.213) 15.213 9.433 ( 0.000 0.000 -4.192) 4.192 9.433 ( -0.000 -0.000 -4.192) 4.192 9.853 ( 0.000 0.000 -6.268) 6.268 9.853 ( 0.000 -0.000 -6.268) 6.268 11.075 ( 0.000 0.000 -4.728) 4.728 11.441 ( 0.000 0.000 -6.173) 6.173 11.533 ( 0.000 0.000 2.538) 2.538 11.533 ( 0.000 0.000 2.538) 2.538 12.186 ( -0.000 -0.000 -2.266) 2.266 12.186 ( 0.000 0.000 -2.266) 2.266 12.938 ( 0.000 0.000 1.594) 1.594 13.086 ( -0.000 -0.000 -3.642) 3.642 13.086 ( 0.000 0.000 -3.642) 3.642 14.098 ( -0.000 -0.000 6.554) 6.554 15.184 ( 0.000 0.000 4.568) 4.568 16.138 ( 0.000 0.000 -1.161) 1.161 19.633 ( 0.000 0.000 -0.072) 0.072 20.919 ( 0.000 -0.000 -0.237) 0.237 20.919 ( -0.000 0.000 -0.237) 0.237 20.979 ( 0.000 0.000 -0.079) 0.079 20.979 ( 0.000 0.000 -0.079) 0.079 22.752 ( 0.000 0.000 -1.881) 1.881 22.859 ( 0.000 0.000 -6.363) 6.363 23.867 ( 0.000 0.000 -1.185) 1.185 26.419 ( 0.000 0.000 8.732) 8.732 27.520 ( -0.000 -0.000 1.037) 1.037 ======================= Grid point 325 (62/90) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 4.478 0.000 0.114) 4.479 2.099 ( -2.310 0.000 2.341) 3.289 2.257 ( 13.187 0.000 3.705) 13.698 2.376 ( 20.647 0.000 -14.557) 25.262 2.573 ( 9.196 0.000 10.073) 13.639 2.684 ( 17.133 0.000 13.274) 21.674 3.187 ( -0.358 0.000 -6.711) 6.720 3.351 ( 3.473 0.000 -8.570) 9.247 3.466 ( 10.097 0.000 -7.528) 12.595 3.649 ( 4.168 0.000 13.688) 14.308 4.133 ( -1.520 0.000 -11.059) 11.163 4.746 ( -4.399 0.000 -2.872) 5.254 4.926 ( 11.978 0.000 -0.404) 11.985 5.143 ( -18.865 0.000 -3.857) 19.255 5.262 ( -7.930 0.000 0.508) 7.946 5.496 ( -3.823 0.000 -10.984) 11.630 5.538 ( 10.581 0.000 -0.681) 10.602 5.853 ( 10.156 0.000 -8.044) 12.956 6.617 ( -14.180 0.000 -3.684) 14.651 7.186 ( -1.511 0.000 6.394) 6.570 7.378 ( 11.837 0.000 2.916) 12.191 7.398 ( 5.863 0.000 15.416) 16.493 7.542 ( -2.185 0.000 4.195) 4.730 7.785 ( -6.848 0.000 3.952) 7.906 8.543 ( -6.287 0.000 -8.950) 10.937 9.033 ( -5.168 0.000 -9.440) 10.762 9.286 ( 2.746 0.000 12.052) 12.361 9.337 ( 6.941 0.000 13.679) 15.339 9.505 ( 7.448 0.000 -3.445) 8.206 9.550 ( 9.416 0.000 -4.661) 10.506 9.824 ( -2.903 0.000 -4.956) 5.744 10.078 ( 20.789 0.000 -11.367) 23.694 10.987 ( -8.160 0.000 -3.464) 8.865 11.299 ( -8.851 0.000 -3.678) 9.585 11.610 ( 6.937 0.000 2.109) 7.251 11.745 ( 14.421 0.000 1.562) 14.505 12.022 ( -12.885 0.000 -4.824) 13.758 12.181 ( -0.687 0.000 -1.865) 1.987 12.925 ( -1.063 0.000 1.532) 1.865 12.955 ( -12.912 0.000 -3.759) 13.448 13.086 ( -0.192 0.000 -4.534) 4.538 14.271 ( 13.912 0.000 5.946) 15.130 15.148 ( -1.877 0.000 4.282) 4.675 16.149 ( 0.843 0.000 -0.109) 0.850 19.638 ( 1.106 0.000 -0.161) 1.118 20.847 ( -7.788 0.000 -0.617) 7.812 20.921 ( 0.230 0.000 -0.229) 0.324 20.977 ( -0.254 0.000 -0.082) 0.267 21.181 ( 20.317 0.000 -2.394) 20.457 22.833 ( 6.825 0.000 -2.441) 7.249 22.884 ( 3.667 0.000 -5.912) 6.957 23.867 ( -0.138 0.000 -1.230) 1.238 26.450 ( 3.332 0.000 8.792) 9.403 27.458 ( -6.309 0.000 2.128) 6.658 ======================= Grid point 326 (63/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 8.035 0.000 -0.062) 8.036 2.020 ( -6.120 0.000 0.299) 6.127 2.554 ( 16.999 0.000 4.029) 17.470 2.805 ( 15.191 0.000 11.487) 19.045 2.886 ( 30.867 0.000 -7.850) 31.850 2.916 ( 5.002 0.000 19.699) 20.324 3.204 ( 0.565 0.000 4.195) 4.233 3.428 ( 4.013 0.000 -5.461) 6.777 3.618 ( 8.646 0.000 -5.950) 10.495 3.827 ( 8.512 0.000 -13.626) 16.066 4.156 ( 5.688 0.000 -9.204) 10.819 4.626 ( -8.351 0.000 -3.294) 8.977 4.732 ( -14.552 0.000 -0.477) 14.560 5.074 ( -10.758 0.000 0.136) 10.759 5.291 ( 17.645 0.000 2.885) 17.879 5.383 ( -8.314 0.000 -12.972) 15.408 5.739 ( 5.402 0.000 1.418) 5.584 6.003 ( 5.401 0.000 -7.220) 9.017 6.525 ( 9.825 0.000 -2.380) 10.109 7.168 ( -0.138 0.000 5.436) 5.437 7.443 ( -3.515 0.000 4.054) 5.366 7.575 ( 7.941 0.000 10.662) 13.294 7.590 ( 11.016 0.000 1.509) 11.119 7.617 ( -10.027 0.000 3.630) 10.664 8.382 ( -10.296 0.000 -4.471) 11.225 8.914 ( -7.694 0.000 -5.361) 9.378 9.352 ( 4.092 0.000 6.526) 7.703 9.460 ( 5.261 0.000 10.331) 11.593 9.674 ( 5.861 0.000 -6.552) 8.791 9.732 ( 8.861 0.000 -3.656) 9.585 9.778 ( 2.495 0.000 2.083) 3.250 10.427 ( 11.453 0.000 -13.469) 17.680 10.800 ( -11.333 0.000 -1.847) 11.482 11.121 ( -10.427 0.000 -3.473) 10.990 11.672 ( -10.227 0.000 -4.120) 11.026 11.754 ( 7.733 0.000 2.627) 8.167 12.155 ( -2.119 0.000 -0.356) 2.148 12.207 ( 21.707 0.000 -1.623) 21.768 12.673 ( -12.814 0.000 -5.622) 13.993 12.912 ( -0.001 0.000 0.135) 0.135 13.073 ( -1.360 0.000 -5.996) 6.148 14.371 ( -7.608 0.000 3.625) 8.428 15.258 ( 15.647 0.000 5.025) 16.434 16.151 ( -1.154 0.000 1.922) 2.241 19.697 ( 5.504 0.000 -0.437) 5.521 20.644 ( -13.248 0.000 -0.630) 13.263 20.928 ( 0.428 0.000 -0.208) 0.476 20.970 ( -0.462 0.000 -0.093) 0.471 21.661 ( 28.488 0.000 -7.048) 29.347 22.875 ( -0.702 0.000 -6.388) 6.426 23.084 ( 14.465 0.000 -2.435) 14.668 23.850 ( -1.995 0.000 -1.381) 2.426 26.544 ( 6.568 0.000 8.898) 11.059 27.299 ( -10.083 0.000 4.512) 11.047 ======================= Grid point 327 (64/90) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 10.540 0.000 -0.379) 10.547 1.874 ( -9.168 0.000 -0.479) 9.181 2.843 ( 11.447 0.000 12.742) 17.128 2.946 ( 0.200 0.000 18.252) 18.253 3.095 ( 15.002 0.000 9.938) 17.995 3.216 ( 3.769 0.000 4.101) 5.570 3.421 ( 8.415 0.000 0.314) 8.421 3.527 ( 21.465 0.000 0.050) 21.465 3.659 ( -7.694 0.000 -6.745) 10.232 3.941 ( 7.057 0.000 -16.195) 17.666 4.193 ( -4.913 0.000 -18.963) 19.589 4.413 ( -15.271 0.000 0.098) 15.271 4.761 ( 16.850 0.000 1.485) 16.915 4.925 ( -3.145 0.000 -7.019) 7.692 5.188 ( -11.789 0.000 -15.753) 19.676 5.416 ( -8.900 0.000 0.738) 8.931 5.824 ( 11.315 0.000 3.561) 11.862 6.098 ( 3.007 0.000 -3.207) 4.397 6.875 ( 20.023 0.000 1.907) 20.114 7.188 ( 2.365 0.000 3.369) 4.116 7.352 ( -5.381 0.000 1.688) 5.639 7.400 ( -11.935 0.000 3.263) 12.373 7.753 ( 10.347 0.000 8.562) 13.430 7.881 ( 20.963 0.000 -1.333) 21.005 8.173 ( -11.599 0.000 0.292) 11.603 8.718 ( -14.279 0.000 -2.271) 14.459 9.436 ( 4.813 0.000 2.424) 5.389 9.537 ( 3.854 0.000 5.440) 6.667 9.629 ( -5.064 0.000 -3.399) 6.099 9.803 ( -3.652 0.000 -4.063) 5.463 10.001 ( 15.252 0.000 1.906) 15.371 10.513 ( 3.290 0.000 -6.402) 7.197 10.565 ( -13.580 0.000 -0.464) 13.588 10.904 ( -12.461 0.000 -2.980) 12.812 11.659 ( 7.974 0.000 -8.749) 11.838 11.891 ( 6.779 0.000 3.598) 7.674 12.098 ( -4.005 0.000 1.975) 4.466 12.197 ( -16.297 0.000 -4.546) 16.920 12.915 ( 31.092 0.000 -3.355) 31.272 12.931 ( 1.972 0.000 -2.855) 3.470 13.035 ( -2.602 0.000 -6.566) 7.063 14.046 ( -24.168 0.000 1.147) 24.195 15.618 ( 19.104 0.000 5.660) 19.925 16.089 ( -5.893 0.000 3.775) 6.998 19.849 ( 10.605 0.000 -0.588) 10.621 20.370 ( -15.354 0.000 -0.595) 15.365 20.937 ( 0.566 0.000 -0.177) 0.593 20.960 ( -0.590 0.000 -0.113) 0.601 22.181 ( 25.410 0.000 -9.354) 27.077 22.806 ( -7.348 0.000 -7.605) 10.575 23.368 ( 14.831 0.000 -2.198) 14.993 23.778 ( -6.056 0.000 -1.645) 6.276 26.694 ( 9.247 0.000 8.814) 12.775 27.095 ( -11.276 0.000 6.759) 13.147 ======================= Grid point 328 (65/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -10.834 0.000 -0.589) 10.850 1.684 ( 10.834 0.000 -0.589) 10.850 2.941 ( -1.364 0.000 19.666) 19.713 2.941 ( 1.364 0.000 19.666) 19.713 3.338 ( -9.935 0.000 6.672) 11.968 3.338 ( 9.935 0.000 6.672) 11.968 3.415 ( -14.983 0.000 -3.345) 15.352 3.415 ( 14.983 0.000 -3.345) 15.352 4.036 ( -24.653 0.000 3.448) 24.893 4.036 ( 24.653 0.000 3.448) 24.893 4.076 ( -6.732 0.000 -19.541) 20.668 4.076 ( 6.732 0.000 -19.541) 20.668 4.982 ( -8.480 0.000 -15.388) 17.569 4.982 ( 8.480 0.000 -15.388) 17.569 5.125 ( -18.981 0.000 -0.838) 19.000 5.125 ( 18.981 0.000 -0.838) 19.000 6.047 ( -8.760 0.000 2.338) 9.067 6.047 ( 8.760 0.000 2.338) 9.067 7.173 ( -12.715 0.000 2.961) 13.055 7.173 ( 12.715 0.000 2.961) 13.055 7.255 ( -4.610 0.000 1.816) 4.955 7.255 ( 4.610 0.000 1.816) 4.955 7.957 ( -11.241 0.000 4.772) 12.212 7.957 ( 11.241 0.000 4.772) 12.212 8.345 ( -24.922 0.000 -1.882) 24.993 8.345 ( 24.922 0.000 -1.882) 24.993 9.531 ( -5.208 0.000 -0.477) 5.230 9.531 ( 5.208 0.000 -0.477) 5.230 9.650 ( -8.702 0.000 -0.659) 8.727 9.650 ( 8.702 0.000 -0.659) 8.727 10.293 ( -15.273 0.000 0.790) 15.293 10.293 ( 15.273 0.000 0.790) 15.293 10.667 ( -11.895 0.000 -3.006) 12.269 10.667 ( 11.895 0.000 -3.006) 12.269 11.889 ( -15.130 0.000 -7.820) 17.031 11.889 ( 15.130 0.000 -7.820) 17.031 12.007 ( -5.555 0.000 3.579) 6.608 12.007 ( 5.555 0.000 3.579) 6.608 12.980 ( -2.992 0.000 -5.523) 6.281 12.980 ( 2.992 0.000 -5.523) 6.281 13.518 ( -31.137 0.000 -0.971) 31.152 13.518 ( 31.137 0.000 -0.971) 31.152 15.918 ( -12.475 0.000 5.139) 13.492 15.918 ( 12.475 0.000 5.139) 13.492 20.086 ( -14.272 0.000 -0.589) 14.285 20.086 ( 14.272 0.000 -0.589) 14.285 20.948 ( -0.624 0.000 -0.143) 0.640 20.948 ( 0.624 0.000 -0.143) 0.640 22.582 ( -16.684 0.000 -8.964) 18.940 22.582 ( 16.684 0.000 -8.964) 18.940 23.616 ( -11.133 0.000 -1.957) 11.304 23.616 ( 11.133 0.000 -1.957) 11.304 26.885 ( -10.870 0.000 8.196) 13.613 26.885 ( 10.870 0.000 8.196) 13.613 ======================= Grid point 334 (66/90) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.741 7.741 -0.058) 10.948 2.205 ( 3.998 3.998 2.938) 6.371 2.263 ( 6.455 6.455 1.381) 9.232 2.554 ( 17.591 17.591 -13.281) 28.201 2.691 ( 10.306 10.306 11.962) 18.856 2.813 ( 12.317 12.317 18.123) 25.137 3.196 ( 1.623 1.623 -4.786) 5.308 3.391 ( 3.668 3.668 -5.848) 7.817 3.618 ( 13.206 13.206 -14.051) 23.372 3.643 ( 1.994 1.994 8.802) 9.242 4.108 ( -1.990 -1.990 -10.104) 10.489 4.855 ( -6.503 -6.503 -1.516) 9.320 4.862 ( 1.939 1.939 -0.426) 2.775 4.931 ( -7.173 -7.173 -2.443) 10.434 5.322 ( 0.180 0.180 -0.385) 0.462 5.515 ( 3.336 3.336 0.953) 4.814 5.579 ( 2.850 2.850 -11.439) 12.128 5.882 ( 3.824 3.824 -6.927) 8.788 6.523 ( -7.246 -7.246 -3.488) 10.825 7.161 ( -1.670 -1.670 5.907) 6.362 7.448 ( 4.706 4.706 3.125) 7.352 7.453 ( 5.335 5.335 14.356) 16.217 7.532 ( 0.025 0.025 2.315) 2.315 7.704 ( -7.685 -7.685 3.737) 11.493 8.514 ( -3.210 -3.210 -8.109) 9.293 9.013 ( -2.535 -2.535 -8.135) 8.890 9.324 ( 1.488 1.488 11.138) 11.335 9.366 ( 4.502 4.502 12.181) 13.744 9.486 ( 2.887 2.887 -3.632) 5.465 9.693 ( 9.498 9.498 -1.219) 13.487 9.866 ( 0.623 0.623 -5.070) 5.146 10.184 ( 12.975 12.975 -13.148) 22.574 10.984 ( -2.051 -2.051 -3.556) 4.589 11.147 ( -10.666 -10.666 -1.817) 15.193 11.645 ( -7.840 -7.840 1.921) 11.253 11.813 ( -7.713 -7.713 -5.883) 12.393 11.900 ( 16.904 16.904 2.608) 24.047 12.295 ( 5.854 5.854 -3.959) 9.176 12.863 ( -6.283 -6.283 -1.204) 8.967 12.967 ( -2.886 -2.886 -3.481) 5.365 13.006 ( -3.601 -3.601 -3.669) 6.276 14.439 ( 14.622 14.622 5.995) 21.530 15.084 ( -5.010 -5.010 3.824) 8.051 16.157 ( 0.514 0.514 0.777) 1.064 19.636 ( 0.451 0.451 -0.150) 0.655 20.780 ( -7.112 -7.112 -0.342) 10.064 20.918 ( -0.324 -0.324 -0.674) 0.815 21.005 ( 1.007 1.007 0.320) 1.459 21.340 ( 17.593 17.593 -4.750) 25.330 22.897 ( 1.788 1.788 -6.590) 7.059 22.919 ( 8.201 8.201 -1.891) 11.751 23.869 ( 0.042 0.042 -1.280) 1.282 26.478 ( 2.984 2.984 8.836) 9.792 27.402 ( -5.733 -5.733 3.034) 8.657 ======================= Grid point 335 (67/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 9.883 12.276 -0.417) 15.765 2.150 ( -5.644 12.240 0.699) 13.496 2.535 ( 16.877 -1.782 2.606) 17.170 2.865 ( 10.585 3.071 3.866) 11.679 2.976 ( 7.562 7.484 21.456) 23.949 3.041 ( 24.961 14.114 3.153) 28.848 3.250 ( 3.051 6.401 2.928) 7.671 3.493 ( 6.393 4.785 -5.851) 9.899 3.701 ( 4.336 6.392 -7.014) 10.433 3.894 ( 10.099 10.156 -14.641) 20.481 4.125 ( 6.097 -2.254 -9.832) 11.786 4.563 ( -12.766 -13.495 -1.806) 18.664 4.718 ( -9.958 7.950 -0.720) 12.763 5.089 ( 0.613 -2.437 3.188) 4.059 5.320 ( 7.322 4.610 -1.356) 8.758 5.473 ( -6.773 7.113 -9.116) 13.400 5.712 ( 5.975 -1.619 -1.925) 6.483 5.983 ( 5.963 -1.070 -5.749) 8.352 6.502 ( 9.078 -1.938 -1.916) 9.478 7.142 ( -0.130 -2.409 4.503) 5.109 7.437 ( -3.902 -1.053 1.966) 4.494 7.509 ( -9.480 -8.895 5.079) 13.957 7.602 ( 7.400 2.997 6.953) 10.587 7.632 ( 8.982 3.000 2.766) 9.866 8.419 ( -6.833 3.395 -4.791) 9.009 8.930 ( -6.336 1.350 -4.654) 7.977 9.348 ( 1.854 -2.580 6.229) 6.992 9.473 ( 5.648 2.614 9.827) 11.632 9.598 ( 7.681 -2.217 -3.020) 8.546 9.828 ( -2.784 5.162 -2.035) 6.208 9.863 ( 7.040 6.719 0.494) 9.744 10.461 ( 12.068 5.349 -11.362) 17.417 10.809 ( -14.917 -0.569 -2.916) 15.210 11.025 ( -4.375 -9.941 -1.850) 11.017 11.345 ( -14.146 -24.619 -1.313) 28.424 11.807 ( 1.100 2.162 -2.456) 3.452 12.257 ( 10.485 13.027 3.083) 17.004 12.442 ( 18.082 14.909 -4.734) 23.909 12.656 ( -12.781 -1.204 -6.457) 14.370 12.901 ( -1.045 -0.976 -1.467) 2.049 12.997 ( -0.465 -7.014 -5.656) 9.022 14.537 ( -10.264 16.844 4.016) 20.129 15.164 ( 17.581 -9.660 4.726) 20.609 16.151 ( -1.712 -0.333 2.482) 3.034 19.681 ( 4.722 -1.006 -0.305) 4.838 20.588 ( -12.719 -5.804 -0.400) 13.986 20.917 ( 0.218 -1.128 -0.488) 1.248 21.001 ( -1.058 2.091 0.307) 2.363 21.779 ( 26.585 12.519 -8.387) 30.558 22.912 ( -0.602 3.298 -6.836) 7.614 23.137 ( 13.825 5.667 -2.157) 15.097 23.857 ( -1.644 0.574 -1.442) 2.260 26.562 ( 5.951 2.019 8.907) 10.901 27.257 ( -9.240 -4.333 5.043) 11.383 ======================= Grid point 336 (68/90) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 10.793 14.166 -0.607) 17.819 2.015 ( -8.556 13.216 -0.207) 15.745 2.825 ( 11.724 -1.827 9.961) 15.492 2.936 ( 0.052 -0.269 16.274) 16.276 3.130 ( 9.191 -1.998 6.736) 11.569 3.332 ( 8.066 15.612 7.128) 18.963 3.561 ( 16.719 11.609 1.081) 20.383 3.607 ( 13.733 7.314 -0.599) 15.571 3.658 ( -9.045 -0.501 -5.235) 10.463 3.990 ( 2.027 7.332 -10.373) 12.863 4.172 ( -2.954 -0.147 -19.855) 20.074 4.444 ( -11.778 0.248 0.446) 11.789 4.656 ( 11.938 -3.268 -3.241) 12.794 5.006 ( -4.353 2.436 -3.482) 6.083 5.283 ( -8.040 7.700 -11.650) 16.114 5.456 ( -4.514 5.488 -1.830) 7.338 5.808 ( 10.486 -0.674 1.580) 10.626 6.083 ( 2.773 -0.715 -3.080) 4.206 6.800 ( 17.028 -7.308 1.964) 18.634 7.158 ( 1.175 -3.558 3.363) 5.035 7.299 ( -10.033 -8.763 1.132) 13.369 7.353 ( -5.277 -1.239 0.086) 5.421 7.784 ( 10.546 3.339 7.065) 13.125 7.874 ( 16.277 0.567 -0.898) 16.312 8.281 ( -5.871 10.243 0.474) 11.816 8.759 ( -12.684 4.315 -1.265) 13.458 9.404 ( 4.283 -5.823 1.410) 7.364 9.542 ( 1.323 3.574 6.754) 7.755 9.693 ( 0.069 4.072 -1.729) 4.424 9.821 ( -1.474 2.064 -4.149) 4.863 9.921 ( 4.523 -5.793 2.290) 7.698 10.479 ( -17.560 -6.735 -0.596) 18.817 10.608 ( 5.318 7.091 -4.796) 10.078 10.919 ( -7.138 -3.519 -1.188) 8.046 11.294 ( 7.962 -24.954 -3.689) 26.452 11.753 ( -8.148 -7.535 -0.413) 11.105 12.298 ( 0.189 14.331 -1.186) 14.381 12.435 ( -7.631 12.470 -7.251) 16.319 12.864 ( 6.424 -3.514 -1.299) 7.437 12.963 ( 0.326 -4.709 -5.870) 7.532 13.057 ( 25.740 10.943 -4.191) 28.282 14.176 ( -25.003 13.303 1.664) 28.371 15.562 ( 20.694 -5.607 5.517) 22.138 16.075 ( -6.685 -1.572 4.024) 7.959 19.820 ( 9.994 -2.484 -0.454) 10.308 20.323 ( -14.943 -4.698 -0.454) 15.671 20.927 ( 0.823 -1.221 -0.246) 1.493 20.975 ( -1.527 0.965 0.163) 1.814 22.266 ( 23.819 8.738 -9.895) 27.233 22.849 ( -6.763 4.265 -7.852) 11.206 23.407 ( 14.083 4.018 -2.161) 14.803 23.793 ( -5.549 1.433 -1.705) 5.979 26.699 ( 8.475 0.634 8.806) 12.239 27.069 ( -10.401 -2.651 6.976) 12.801 ======================= Grid point 337 (69/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -10.361 14.080 -0.543) 17.490 1.835 ( 10.361 14.080 -0.543) 17.490 2.928 ( -1.243 -1.126 17.237) 17.318 2.928 ( 1.243 -1.126 17.237) 17.318 3.356 ( -12.541 -2.115 -1.815) 12.847 3.356 ( 12.541 -2.115 -1.815) 12.847 3.552 ( -4.717 15.485 4.928) 16.921 3.552 ( 4.717 15.485 4.928) 16.921 3.993 ( -7.614 0.165 -5.607) 9.457 3.993 ( 7.614 0.165 -5.607) 9.457 4.167 ( -10.265 6.119 -6.876) 13.788 4.167 ( 10.265 6.119 -6.876) 13.788 4.891 ( -9.944 -5.316 -9.887) 14.997 4.891 ( 9.944 -5.316 -9.887) 14.997 5.283 ( -8.769 11.749 -6.397) 15.996 5.283 ( 8.769 11.749 -6.397) 15.996 6.027 ( -8.953 -1.270 1.575) 9.179 6.027 ( 8.953 -1.270 1.575) 9.179 7.056 ( -10.869 -10.400 3.292) 15.399 7.056 ( 10.869 -10.400 3.292) 15.399 7.260 ( -4.106 -1.090 -0.811) 4.325 7.260 ( 4.106 -1.090 -0.811) 4.325 7.970 ( -7.721 1.882 2.829) 8.436 7.970 ( 7.721 1.882 2.829) 8.436 8.433 ( -20.329 8.943 0.727) 22.221 8.433 ( 20.329 8.943 0.727) 22.221 9.506 ( -5.364 -3.049 0.855) 6.229 9.506 ( 5.364 -3.049 0.855) 6.229 9.704 ( -3.846 5.191 -1.206) 6.572 9.704 ( 3.846 5.191 -1.206) 6.572 10.154 ( -16.008 -10.157 0.537) 18.966 10.154 ( 16.008 -10.157 0.537) 18.966 10.759 ( -9.345 2.835 -1.182) 9.837 10.759 ( 9.345 2.835 -1.182) 9.837 11.525 ( -14.144 -17.445 -1.908) 22.539 11.525 ( 14.144 -17.445 -1.908) 22.539 12.334 ( -3.638 15.449 -4.309) 16.446 12.334 ( 3.638 15.449 -4.309) 16.446 12.924 ( -2.604 -5.255 -5.359) 7.945 12.924 ( 2.604 -5.255 -5.359) 7.945 13.643 ( -31.034 13.168 -0.355) 33.714 13.643 ( 31.034 13.168 -0.355) 33.714 15.887 ( -13.573 -3.271 5.136) 14.876 15.887 ( 13.573 -3.271 5.136) 14.876 20.047 ( -13.833 -3.681 -0.479) 14.322 20.047 ( 13.833 -3.681 -0.479) 14.322 20.947 ( -1.340 -0.430 -0.026) 1.408 20.947 ( 1.340 -0.430 -0.026) 1.408 22.640 ( -15.594 5.987 -9.220) 19.080 22.640 ( 15.594 5.987 -9.220) 19.080 23.642 ( -10.488 2.590 -1.991) 10.985 23.642 ( 10.488 2.590 -1.991) 10.985 26.875 ( -10.029 -0.965 8.241) 13.016 26.875 ( 10.029 -0.965 8.241) 13.016 ======================= Grid point 344 (70/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 13.420 13.420 -0.801) 18.996 2.364 ( 4.000 4.000 2.639) 6.242 2.542 ( 7.754 7.754 -0.332) 10.971 2.939 ( 3.849 3.849 -0.567) 5.472 3.009 ( -0.819 -0.819 23.839) 23.867 3.398 ( 18.594 18.594 5.968) 26.964 3.473 ( 16.832 16.832 5.890) 24.523 3.584 ( 5.041 5.041 -3.949) 8.150 3.737 ( -3.602 -3.602 -6.964) 8.629 4.124 ( 1.655 1.655 -15.302) 15.480 4.197 ( 16.096 16.096 -16.790) 28.286 4.357 ( -3.095 -3.095 -0.424) 4.397 4.786 ( -5.601 -5.601 8.573) 11.673 5.022 ( -1.649 -1.649 0.168) 2.338 5.400 ( 2.615 2.615 -6.869) 7.801 5.557 ( 1.522 1.522 2.807) 3.537 5.759 ( 6.399 6.399 -12.476) 15.413 6.020 ( 5.474 5.474 -3.619) 8.545 6.493 ( 2.747 2.747 -0.422) 3.907 7.099 ( -1.753 -1.753 2.941) 3.846 7.289 ( -13.129 -13.129 1.932) 18.668 7.396 ( -3.378 -3.378 -1.194) 4.925 7.718 ( 7.814 7.814 -0.095) 11.051 7.721 ( 8.417 8.417 8.865) 14.842 8.485 ( 2.848 2.848 -4.292) 5.886 8.940 ( -1.117 -1.117 -2.349) 2.831 9.267 ( -4.302 -4.302 4.723) 7.702 9.537 ( 4.413 4.413 6.093) 8.722 9.626 ( 3.603 3.603 1.492) 5.309 9.890 ( 0.554 0.554 -2.529) 2.648 9.961 ( 3.172 3.172 5.533) 7.123 10.659 ( 12.913 12.913 -7.697) 19.817 10.684 ( -13.594 -13.594 -0.065) 19.224 10.844 ( -6.978 -6.978 -3.449) 10.454 10.851 ( -23.743 -23.743 -1.786) 33.625 11.855 ( 0.800 0.800 -2.795) 3.015 12.432 ( 0.936 0.936 -1.184) 1.776 12.582 ( 1.494 1.494 -5.765) 6.140 12.822 ( 11.432 11.432 -1.668) 16.252 12.870 ( -2.918 -2.918 -5.999) 7.281 12.910 ( 9.482 9.482 -5.920) 14.658 14.849 ( -6.745 -6.745 2.696) 9.912 15.005 ( 14.170 14.170 5.780) 20.857 16.123 ( -3.035 -3.035 3.545) 5.567 19.689 ( 2.506 2.506 -0.218) 3.550 20.432 ( -10.582 -10.582 -0.226) 14.967 20.896 ( -0.818 -0.818 -0.442) 1.238 21.011 ( -1.092 -1.092 0.566) 1.645 22.104 ( 20.492 20.492 -10.296) 30.755 22.966 ( 1.493 1.493 -7.592) 7.880 23.294 ( 10.613 10.613 -1.976) 15.139 23.861 ( -0.603 -0.603 -1.622) 1.833 26.621 ( 4.223 4.223 8.902) 10.719 27.146 ( -7.077 -7.077 6.259) 11.804 ======================= Grid point 345 (71/90) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 11.892 15.731 -0.562) 19.728 2.296 ( -7.207 14.831 1.304) 16.541 2.783 ( 11.961 -2.044 4.727) 13.022 2.943 ( -1.932 0.792 12.002) 12.183 3.062 ( 6.846 -4.150 1.626) 8.168 3.551 ( -11.770 -3.210 -2.570) 12.468 3.656 ( 6.847 7.278 4.034) 10.776 3.741 ( 12.457 8.350 2.792) 15.254 3.834 ( 15.247 15.666 5.984) 22.665 4.079 ( 1.568 -0.585 -13.468) 13.572 4.368 ( -2.867 17.922 -0.637) 18.161 4.452 ( 0.309 6.322 -9.456) 11.379 4.660 ( 2.780 -0.377 -1.351) 3.114 4.944 ( -6.531 -8.545 0.293) 10.760 5.419 ( 0.511 6.399 -8.766) 10.866 5.610 ( 0.313 8.948 -0.724) 8.983 5.858 ( 7.097 6.872 -7.654) 12.497 6.124 ( 2.812 6.046 -3.592) 7.574 6.632 ( 10.054 -9.526 1.172) 13.900 7.005 ( -11.099 -14.452 2.394) 18.379 7.137 ( 0.986 -5.141 -2.292) 5.715 7.312 ( -5.321 -3.374 -3.272) 7.099 7.900 ( 10.876 9.586 5.511) 15.509 7.947 ( 14.117 7.996 0.493) 16.231 8.510 ( 0.862 13.011 -0.010) 13.040 8.864 ( -7.613 5.914 0.624) 9.661 9.243 ( 2.918 -10.113 2.369) 10.789 9.638 ( -3.986 4.204 6.822) 8.951 9.672 ( 7.927 -4.507 0.499) 9.133 9.877 ( -1.401 3.086 -3.294) 4.726 9.909 ( -6.740 4.215 4.217) 8.999 10.355 ( -20.665 -6.386 -0.743) 21.642 10.512 ( -3.977 -22.524 1.414) 22.916 10.695 ( -6.314 -19.286 0.855) 20.311 11.047 ( 20.019 5.594 -6.573) 21.800 11.750 ( -12.535 4.705 -2.158) 13.562 12.421 ( 1.569 -2.324 -4.451) 5.261 12.574 ( -3.128 2.886 -7.421) 8.555 12.815 ( 0.141 -1.058 -4.472) 4.598 12.854 ( -1.066 -4.673 -6.653) 8.200 13.410 ( 30.943 24.620 -1.221) 39.561 14.485 ( -23.998 16.423 2.175) 29.161 15.437 ( 22.615 -6.019 5.391) 24.015 16.020 ( -8.337 -4.601 4.470) 10.519 19.785 ( 7.699 -0.555 -0.257) 7.723 20.207 ( -12.816 -7.325 -0.244) 14.764 20.894 ( 0.712 -2.008 -0.134) 2.135 20.972 ( -2.709 -1.553 0.479) 3.159 22.488 ( 19.034 13.917 -10.629) 25.864 22.942 ( -4.447 4.838 -8.457) 10.710 23.510 ( 11.543 6.614 -2.123) 13.472 23.820 ( -4.031 1.099 -1.884) 4.583 26.720 ( 6.288 1.698 8.773) 10.927 27.002 ( -8.016 -4.260 7.489) 11.768 ======================= Grid point 346 (72/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -9.900 16.119 0.255) 18.918 2.133 ( 9.900 16.119 0.255) 18.918 2.905 ( -2.597 -1.074 10.827) 11.186 2.905 ( 2.597 -1.074 10.827) 11.186 3.280 ( -14.913 -5.629 -4.133) 16.467 3.280 ( 14.913 -5.629 -4.133) 16.467 3.783 ( -5.732 6.664 0.405) 8.799 3.783 ( 5.732 6.664 0.405) 8.799 4.113 ( -16.979 9.618 8.108) 21.132 4.113 ( 16.979 9.618 8.108) 21.132 4.308 ( -13.960 10.275 -6.109) 18.379 4.308 ( 13.960 10.275 -6.109) 18.379 4.813 ( -8.061 -3.249 -6.490) 10.847 4.813 ( 8.061 -3.249 -6.490) 10.847 5.500 ( -7.866 10.782 -7.753) 15.434 5.500 ( 7.866 10.782 -7.753) 15.434 6.056 ( -9.729 5.681 -2.022) 11.446 6.056 ( 9.729 5.681 -2.022) 11.446 6.810 ( -9.199 -15.429 0.630) 17.974 6.810 ( 9.199 -15.429 0.630) 17.974 7.208 ( -5.301 -3.815 -3.327) 7.329 7.208 ( 5.301 -3.815 -3.327) 7.329 8.068 ( -4.215 9.676 1.999) 10.742 8.068 ( 4.215 9.676 1.999) 10.742 8.644 ( -13.776 12.317 3.266) 18.766 8.644 ( 13.776 12.317 3.266) 18.766 9.402 ( -13.802 -8.289 0.777) 16.119 9.402 ( 13.802 -8.289 0.777) 16.119 9.808 ( -3.875 4.871 1.512) 6.406 9.808 ( 3.875 4.871 1.512) 6.406 10.004 ( -14.660 -4.901 0.228) 15.460 10.004 ( 14.660 -4.901 0.228) 15.460 10.568 ( -6.437 -21.716 2.231) 22.759 10.568 ( 6.437 -21.716 2.231) 22.759 11.431 ( -19.846 6.002 -3.598) 21.043 11.431 ( 19.846 6.002 -3.598) 21.043 12.491 ( -4.908 0.451 -5.711) 7.543 12.491 ( 4.908 0.451 -5.711) 7.543 12.832 ( -1.228 -2.867 -6.736) 7.423 12.832 ( 1.228 -2.867 -6.736) 7.423 13.983 ( -29.085 21.314 0.811) 36.067 13.983 ( 29.085 21.314 0.811) 36.067 15.798 ( -15.468 -6.012 5.118) 17.367 15.798 ( 15.468 -6.012 5.118) 17.367 19.971 ( -11.686 -3.906 -0.277) 12.325 19.971 ( 11.686 -3.906 -0.277) 12.325 20.923 ( -2.247 -2.198 0.212) 3.151 20.923 ( 2.247 -2.198 0.212) 3.151 22.786 ( -12.245 8.745 -9.670) 17.886 22.786 ( 12.245 8.745 -9.670) 17.886 23.702 ( -8.497 3.468 -2.104) 9.415 23.702 ( 8.497 3.468 -2.104) 9.415 26.853 ( -7.655 -1.239 8.346) 11.392 26.853 ( 7.655 -1.239 8.346) 11.392 ======================= Grid point 354 (73/90) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 12.738 12.738 0.989) 18.041 2.478 ( 1.796 1.796 6.090) 6.598 2.804 ( 5.582 5.582 -0.656) 7.922 2.950 ( -1.118 -1.118 7.415) 7.582 3.015 ( 1.243 1.243 -4.922) 5.227 3.384 ( -11.593 -11.593 -4.672) 17.048 3.769 ( 5.000 5.000 -1.983) 7.344 3.964 ( 13.804 13.804 14.181) 24.129 3.976 ( -3.603 -3.603 -7.984) 9.472 4.154 ( 12.603 12.603 10.580) 20.727 4.536 ( -6.001 -6.001 12.731) 15.301 4.640 ( 7.328 7.328 -9.382) 13.979 4.695 ( 7.911 7.911 -12.795) 16.996 4.734 ( -10.039 -10.039 2.659) 14.444 5.533 ( 7.169 7.169 -9.228) 13.709 5.788 ( 8.253 8.253 2.823) 12.008 5.981 ( 4.339 4.339 -15.528) 16.697 6.271 ( 6.678 6.678 -4.876) 10.628 6.505 ( -2.337 -2.337 -0.680) 3.374 6.685 ( -17.148 -17.148 -2.106) 24.342 7.095 ( 0.298 0.298 -2.601) 2.635 7.231 ( -4.939 -4.939 -4.607) 8.367 8.128 ( 13.689 13.689 4.974) 19.987 8.191 ( 16.533 16.533 1.442) 23.425 8.727 ( 8.347 8.347 -1.157) 11.861 8.937 ( 0.853 0.853 3.283) 3.497 9.080 ( -4.578 -4.578 3.821) 7.517 9.516 ( -11.979 -11.979 0.724) 16.956 9.738 ( 3.691 3.691 7.007) 8.737 9.921 ( 1.371 1.371 -1.645) 2.542 9.968 ( -1.497 -1.497 4.386) 4.870 10.098 ( -10.407 -10.407 1.636) 14.808 10.222 ( -10.819 -10.819 -0.585) 15.312 10.294 ( -17.550 -17.550 2.684) 24.964 11.289 ( 16.198 16.198 -5.495) 23.558 11.791 ( -3.594 -3.594 -2.555) 5.689 12.341 ( -1.909 -1.909 -5.025) 5.705 12.530 ( -6.346 -6.346 -5.162) 10.353 12.815 ( 0.634 0.634 -7.869) 7.920 12.821 ( 0.115 0.115 -8.823) 8.825 13.908 ( 26.682 26.682 0.445) 37.737 14.629 ( -4.390 -4.390 1.917) 6.498 15.441 ( 8.394 8.394 5.437) 13.057 15.892 ( -9.191 -9.191 4.828) 13.866 19.812 ( 3.520 3.520 -0.163) 4.981 20.058 ( -8.150 -8.150 -0.147) 11.527 20.865 ( -0.678 -0.678 0.123) 0.967 20.924 ( -3.007 -3.007 0.551) 4.288 22.748 ( 12.688 12.688 -10.575) 20.827 22.997 ( 0.249 0.249 -9.159) 9.166 23.642 ( 7.086 7.086 -2.210) 10.261 23.820 ( -1.462 -1.462 -2.123) 2.963 26.765 ( 3.036 3.036 8.675) 9.679 26.917 ( -4.639 -4.639 8.036) 10.374 ======================= Grid point 355 (74/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -8.217 10.954 4.249) 14.338 2.398 ( 8.217 10.954 4.249) 14.338 2.903 ( -3.464 1.343 2.138) 4.287 2.903 ( 3.464 1.343 2.138) 4.287 3.153 ( -11.848 -7.537 -6.690) 15.555 3.153 ( 11.848 -7.537 -6.690) 15.555 3.872 ( -5.913 3.547 -2.599) 7.369 3.872 ( 5.913 3.547 -2.599) 7.369 4.232 ( -11.570 4.592 16.743) 20.863 4.232 ( 11.570 4.592 16.743) 20.863 4.485 ( -10.443 3.914 1.653) 11.274 4.485 ( 10.443 3.914 1.653) 11.274 4.770 ( -2.731 -0.436 -7.659) 8.143 4.770 ( 2.731 -0.436 -7.659) 8.143 5.719 ( -11.211 13.762 -7.154) 19.137 5.719 ( 11.211 13.762 -7.154) 19.137 6.194 ( -14.906 4.370 -6.781) 16.949 6.194 ( 14.906 4.370 -6.781) 16.949 6.508 ( -2.214 -14.064 -3.401) 14.638 6.508 ( 2.214 -14.064 -3.401) 14.638 7.141 ( -4.149 -2.842 -3.956) 6.399 7.141 ( 4.149 -2.842 -3.956) 6.399 8.347 ( -5.298 19.344 2.663) 20.232 8.347 ( 5.298 19.344 2.663) 20.232 8.858 ( -8.895 9.453 3.841) 13.536 8.858 ( 8.895 9.453 3.841) 13.536 9.189 ( -16.146 -14.375 1.059) 21.644 9.189 ( 16.146 -14.375 1.059) 21.644 9.864 ( -10.133 0.826 3.867) 10.877 9.864 ( 10.133 0.826 3.867) 10.877 9.959 ( -4.165 -1.551 0.688) 4.497 9.959 ( 4.165 -1.551 0.688) 4.497 10.135 ( -5.372 -19.157 2.358) 20.036 10.135 ( 5.372 -19.157 2.358) 20.036 11.596 ( -15.142 8.937 -3.763) 17.981 11.596 ( 15.142 8.937 -3.763) 17.981 12.398 ( -6.499 -7.489 -4.867) 11.046 12.398 ( 6.499 -7.489 -4.867) 11.046 12.824 ( -0.097 0.742 -9.105) 9.135 12.824 ( 0.097 0.742 -9.105) 9.135 14.366 ( -20.880 17.168 1.466) 27.072 14.366 ( 20.880 17.168 1.466) 27.072 15.675 ( -13.462 -6.362 5.126) 15.747 15.675 ( 13.462 -6.362 5.126) 15.747 19.913 ( -6.911 -2.107 -0.135) 7.227 19.913 ( 6.911 -2.107 -0.135) 7.227 20.876 ( -1.794 -2.307 0.397) 2.950 20.876 ( 1.794 -2.307 0.397) 2.950 22.936 ( -6.846 6.293 -9.912) 13.591 22.936 ( 6.846 6.293 -9.912) 13.591 23.759 ( -4.952 2.287 -2.269) 5.908 23.759 ( 4.952 2.287 -2.269) 5.908 26.833 ( -4.134 -0.785 8.445) 9.435 26.833 ( 4.134 -0.785 8.445) 9.435 ======================= Grid point 368 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 0.000 8.916) 8.916 2.507 ( 0.000 0.000 8.916) 8.916 2.948 ( -0.000 -0.000 -3.961) 3.961 2.948 ( 0.000 0.000 -3.961) 3.961 3.043 ( -0.000 -0.000 -8.296) 8.296 3.043 ( -0.000 -0.000 -8.296) 8.296 3.908 ( -0.000 -0.000 -2.388) 2.388 3.908 ( 0.000 0.000 -2.388) 2.388 4.296 ( -0.000 -0.000 19.275) 19.275 4.296 ( 0.000 0.000 19.275) 19.275 4.476 ( 0.000 0.000 5.632) 5.632 4.476 ( 0.000 0.000 5.632) 5.632 4.782 ( 0.000 0.000 -9.425) 9.425 4.782 ( 0.000 0.000 -9.425) 9.425 5.989 ( 0.000 0.000 2.998) 2.998 5.989 ( 0.000 0.000 2.998) 2.998 6.060 ( -0.000 -0.000 -17.922) 17.922 6.060 ( 0.000 0.000 -17.922) 17.922 6.421 ( -0.000 -0.000 -5.695) 5.695 6.421 ( 0.000 0.000 -5.695) 5.695 7.113 ( -0.000 -0.000 -3.927) 3.927 7.113 ( 0.000 0.000 -3.927) 3.927 8.661 ( -0.000 -0.000 3.426) 3.426 8.661 ( 0.000 0.000 3.426) 3.426 8.925 ( -0.000 -0.000 -0.222) 0.222 8.925 ( 0.000 0.000 -0.222) 0.222 8.968 ( 0.000 0.000 5.298) 5.298 8.968 ( 0.000 0.000 5.298) 5.298 9.822 ( 0.000 0.000 3.486) 3.486 9.822 ( 0.000 0.000 3.486) 3.486 9.927 ( 0.000 0.000 1.839) 1.839 9.927 ( 0.000 0.000 1.839) 1.839 9.999 ( 0.000 0.000 2.076) 2.076 9.999 ( 0.000 0.000 2.076) 2.076 11.695 ( 0.000 0.000 -3.473) 3.473 11.695 ( 0.000 0.000 -3.473) 3.473 12.308 ( -0.000 -0.000 -4.996) 4.996 12.308 ( 0.000 0.000 -4.996) 4.996 12.832 ( 0.000 0.000 -9.692) 9.692 12.832 ( 0.000 0.000 -9.692) 9.692 14.544 ( -0.000 -0.000 1.623) 1.623 14.544 ( 0.000 0.000 1.623) 1.623 15.603 ( 0.000 0.000 5.178) 5.178 15.603 ( 0.000 0.000 5.178) 5.178 19.893 ( 0.000 0.000 -0.089) 0.089 19.893 ( 0.000 0.000 -0.089) 0.089 20.852 ( 0.000 0.000 0.462) 0.462 20.852 ( 0.000 0.000 0.462) 0.462 22.999 ( -0.000 -0.000 -9.957) 9.957 22.999 ( 0.000 0.000 -9.957) 9.957 23.781 ( 0.000 0.000 -2.356) 2.356 23.781 ( 0.000 0.000 -2.356) 2.356 26.825 ( 0.000 0.000 8.485) 8.485 26.825 ( 0.000 0.000 8.485) 8.485 ======================= Grid point 405 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 -0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 -0.000 0.000) 0.000 3.938 ( 0.000 -0.000 0.000) 0.000 4.016 ( -0.000 -0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 5.369 ( -0.000 -0.000 -0.000) 0.000 5.369 ( 0.000 0.000 -0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 -0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 -0.000) 0.000 9.435 ( 0.000 0.000 -0.000) 0.000 9.767 ( 0.000 -0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 11.027 ( -0.000 -0.000 0.000) 0.000 11.381 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 12.164 ( -0.000 -0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.049 ( -0.000 -0.000 0.000) 0.000 13.049 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 -0.000 0.000) 0.000 15.230 ( 0.000 -0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 20.917 ( 0.000 0.000 0.000) 0.000 20.917 ( 0.000 0.000 0.000) 0.000 20.978 ( 0.000 -0.000 0.000) 0.000 20.978 ( -0.000 -0.000 0.000) 0.000 22.733 ( -0.000 -0.000 0.000) 0.000 22.796 ( 0.000 0.000 0.000) 0.000 23.855 ( -0.000 -0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 27.530 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 407 (77/90) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 4.487 0.000 0.000) 4.487 2.117 ( -3.484 0.000 0.000) 3.484 2.223 ( 24.658 0.000 0.000) 24.658 2.280 ( 12.615 0.000 0.000) 12.615 2.688 ( 9.558 0.000 -0.000) 9.558 2.831 ( 21.398 0.000 -0.000) 21.398 3.136 ( 4.454 0.000 0.000) 4.454 3.258 ( 4.226 0.000 0.000) 4.226 3.336 ( 10.591 0.000 0.000) 10.591 3.842 ( -8.635 0.000 0.000) 8.635 4.000 ( -1.006 0.000 0.000) 1.006 4.727 ( -4.603 0.000 0.000) 4.603 4.938 ( 16.840 0.000 -0.000) 16.840 5.089 ( -20.855 0.000 0.000) 20.855 5.294 ( -7.579 0.000 0.000) 7.579 5.352 ( -4.527 0.000 0.000) 4.527 5.547 ( 14.406 0.000 0.000) 14.406 5.757 ( 9.755 0.000 0.000) 9.755 6.580 ( -13.930 0.000 0.000) 13.930 7.246 ( -1.235 0.000 -0.000) 1.235 7.410 ( 10.999 0.000 0.000) 10.999 7.556 ( -1.382 0.000 0.000) 1.382 7.599 ( 2.058 0.000 0.000) 2.058 7.823 ( -6.884 0.000 0.000) 6.884 8.435 ( -4.034 0.000 -0.000) 4.034 8.927 ( -3.053 0.000 0.000) 3.053 9.431 ( -0.193 0.000 -0.000) 0.193 9.458 ( 6.837 0.000 0.000) 6.837 9.499 ( 5.662 0.000 0.000) 5.662 9.503 ( 9.668 0.000 -0.000) 9.668 9.763 ( -0.127 0.000 0.000) 0.127 9.949 ( 17.547 0.000 0.000) 17.547 10.951 ( -7.255 0.000 0.000) 7.255 11.261 ( -8.575 0.000 0.000) 8.575 11.632 ( 6.907 0.000 -0.000) 6.907 11.768 ( 18.241 0.000 0.000) 18.241 11.970 ( -17.868 0.000 0.000) 17.868 12.161 ( -0.310 0.000 0.000) 0.310 12.917 ( -13.228 0.000 0.000) 13.228 12.947 ( -0.706 0.000 0.000) 0.706 13.034 ( -1.522 0.000 -0.000) 1.522 14.329 ( 13.277 0.000 0.000) 13.277 15.191 ( -2.006 0.000 0.000) 2.006 16.147 ( 1.784 0.000 0.000) 1.784 19.637 ( 0.996 0.000 0.000) 0.996 20.841 ( -7.845 0.000 0.000) 7.845 20.919 ( 0.238 0.000 0.000) 0.238 20.976 ( -0.258 0.000 0.000) 0.258 21.160 ( 18.109 0.000 0.000) 18.109 22.800 ( 2.762 0.000 0.000) 2.762 22.834 ( 7.606 0.000 0.000) 7.606 23.855 ( -0.184 0.000 0.000) 0.184 26.537 ( 3.383 0.000 0.000) 3.383 27.478 ( -5.306 0.000 0.000) 5.306 ======================= Grid point 409 (78/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 7.919 0.000 0.000) 7.919 2.021 ( -6.700 0.000 0.000) 6.700 2.576 ( 17.951 0.000 0.000) 17.951 2.815 ( 35.818 0.000 -0.000) 35.818 2.923 ( 14.716 0.000 -0.000) 14.716 3.117 ( 5.864 0.000 -0.000) 5.864 3.357 ( 16.818 0.000 0.000) 16.818 3.359 ( 5.897 0.000 0.000) 5.897 3.491 ( 1.772 0.000 0.000) 1.772 3.704 ( -2.363 0.000 0.000) 2.363 4.005 ( 0.910 0.000 -0.000) 0.910 4.606 ( -8.079 0.000 0.000) 8.079 4.738 ( -12.417 0.000 0.000) 12.417 5.108 ( -11.357 0.000 0.000) 11.357 5.213 ( -10.445 0.000 0.000) 10.445 5.322 ( 20.069 0.000 -0.000) 20.069 5.762 ( 2.753 0.000 0.000) 2.753 5.927 ( 8.466 0.000 0.000) 8.466 6.501 ( 11.900 0.000 0.000) 11.900 7.222 ( -1.014 0.000 -0.000) 1.014 7.472 ( -5.738 0.000 0.000) 5.738 7.606 ( 10.423 0.000 0.000) 10.423 7.654 ( -10.722 0.000 0.000) 10.722 7.702 ( 7.144 0.000 0.000) 7.144 8.327 ( -7.229 0.000 -0.000) 7.229 8.848 ( -5.610 0.000 0.000) 5.610 9.436 ( 0.926 0.000 -0.000) 0.926 9.581 ( 3.549 0.000 0.000) 3.549 9.592 ( 3.127 0.000 0.000) 3.127 9.685 ( 8.398 0.000 -0.000) 8.398 9.808 ( 7.138 0.000 0.000) 7.138 10.281 ( 13.826 0.000 0.000) 13.826 10.781 ( -10.542 0.000 0.000) 10.542 11.086 ( -10.163 0.000 0.000) 10.163 11.634 ( -13.614 0.000 0.000) 13.614 11.782 ( 8.366 0.000 -0.000) 8.366 12.149 ( -1.066 0.000 0.000) 1.066 12.193 ( 23.681 0.000 0.000) 23.681 12.617 ( -14.506 0.000 0.000) 14.506 12.930 ( -0.936 0.000 -0.000) 0.936 12.996 ( -2.362 0.000 0.000) 2.362 14.407 ( -9.065 0.000 0.000) 9.065 15.308 ( 16.252 0.000 0.000) 16.252 16.169 ( -0.110 0.000 0.000) 0.110 19.693 ( 5.368 0.000 0.000) 5.368 20.638 ( -13.235 0.000 0.000) 13.235 20.926 ( 0.442 0.000 0.000) 0.442 20.969 ( -0.470 0.000 0.000) 0.470 21.596 ( 26.479 0.000 0.000) 26.479 22.812 ( -1.216 0.000 0.000) 1.216 23.061 ( 14.612 0.000 0.000) 14.612 23.837 ( -2.103 0.000 0.000) 2.103 26.632 ( 6.585 0.000 0.000) 6.585 27.342 ( -8.789 0.000 0.000) 8.789 ======================= Grid point 411 (79/90) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 10.386 0.000 0.000) 10.386 1.869 ( -9.293 0.000 0.000) 9.293 2.929 ( 18.783 0.000 0.000) 18.783 3.181 ( 2.106 0.000 -0.000) 2.106 3.195 ( 13.773 0.000 -0.000) 13.773 3.414 ( -5.397 0.000 0.000) 5.397 3.445 ( 2.077 0.000 -0.000) 2.077 3.507 ( 35.579 0.000 0.000) 35.579 3.540 ( 1.526 0.000 -0.000) 1.526 3.751 ( 3.468 0.000 0.000) 3.468 3.914 ( -10.105 0.000 -0.000) 10.105 4.426 ( -11.668 0.000 0.000) 11.668 4.778 ( 14.968 0.000 0.000) 14.968 4.902 ( -9.454 0.000 0.000) 9.454 4.972 ( -13.701 0.000 -0.000) 13.701 5.419 ( -11.499 0.000 0.000) 11.499 5.868 ( 13.495 0.000 0.000) 13.495 6.063 ( 5.098 0.000 0.000) 5.098 6.900 ( 22.053 0.000 0.000) 22.053 7.221 ( 1.155 0.000 -0.000) 1.155 7.362 ( -5.687 0.000 0.000) 5.687 7.435 ( -12.143 0.000 0.000) 12.143 7.849 ( 8.303 0.000 0.000) 8.303 7.867 ( 19.538 0.000 -0.000) 19.538 8.174 ( -8.641 0.000 -0.000) 8.641 8.687 ( -12.939 0.000 0.000) 12.939 9.468 ( 2.408 0.000 -0.000) 2.408 9.578 ( -2.407 0.000 0.000) 2.407 9.614 ( 0.066 0.000 0.000) 0.066 9.746 ( -3.317 0.000 -0.000) 3.317 10.027 ( 14.249 0.000 0.000) 14.249 10.446 ( 7.245 0.000 0.000) 7.245 10.560 ( -12.819 0.000 0.000) 12.819 10.875 ( -12.216 0.000 0.000) 12.216 11.574 ( 6.972 0.000 0.000) 6.972 11.931 ( 7.187 0.000 -0.000) 7.187 12.116 ( -2.635 0.000 0.000) 2.635 12.149 ( -18.444 0.000 0.000) 18.444 12.885 ( 32.637 0.000 0.000) 32.637 12.917 ( -0.328 0.000 -0.000) 0.328 12.952 ( -2.124 0.000 0.000) 2.124 14.059 ( -25.273 0.000 0.000) 25.273 15.673 ( 19.081 0.000 0.000) 19.081 16.124 ( -5.011 0.000 0.000) 5.011 19.843 ( 10.577 0.000 0.000) 10.577 20.364 ( -15.337 0.000 0.000) 15.337 20.935 ( 0.584 0.000 0.000) 0.584 20.959 ( -0.603 0.000 0.000) 0.603 22.093 ( 24.945 0.000 0.000) 24.945 22.731 ( -8.012 0.000 0.000) 8.012 23.346 ( 14.916 0.000 0.000) 14.916 23.761 ( -6.215 0.000 0.000) 6.215 26.780 ( 9.065 0.000 0.000) 9.065 27.160 ( -10.266 0.000 0.000) 10.266 ======================= Grid point 413 (80/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -10.744 0.000 0.000) 10.744 1.678 ( 10.744 0.000 0.000) 10.744 3.188 ( -4.233 0.000 0.000) 4.233 3.188 ( 4.233 0.000 0.000) 4.233 3.401 ( -7.113 0.000 0.000) 7.113 3.401 ( 7.113 0.000 0.000) 7.113 3.417 ( -9.023 0.000 0.000) 9.023 3.417 ( 9.023 0.000 0.000) 9.023 3.796 ( -2.254 0.000 0.000) 2.254 3.796 ( 2.254 0.000 0.000) 2.254 4.095 ( -25.193 0.000 0.000) 25.193 4.095 ( 25.193 0.000 0.000) 25.193 4.808 ( -1.303 0.000 0.000) 1.303 4.808 ( 1.303 0.000 0.000) 1.303 5.117 ( -18.396 0.000 0.000) 18.396 5.117 ( 18.396 0.000 0.000) 18.396 6.071 ( -5.453 0.000 0.000) 5.453 6.071 ( 5.453 0.000 0.000) 5.453 7.209 ( -12.408 0.000 0.000) 12.408 7.209 ( 12.408 0.000 0.000) 12.408 7.269 ( -3.920 0.000 0.000) 3.920 7.269 ( 3.920 0.000 0.000) 3.920 8.010 ( -8.736 0.000 0.000) 8.736 8.010 ( 8.736 0.000 0.000) 8.736 8.322 ( -25.079 0.000 0.000) 25.079 8.322 ( 25.079 0.000 -0.000) 25.079 9.522 ( -3.140 0.000 0.000) 3.140 9.522 ( 3.140 0.000 0.000) 3.140 9.643 ( -4.232 0.000 0.000) 4.232 9.643 ( 4.232 0.000 0.000) 4.232 10.302 ( -14.486 0.000 0.000) 14.486 10.302 ( 14.486 0.000 0.000) 14.486 10.637 ( -12.429 0.000 0.000) 12.429 10.637 ( 12.429 0.000 0.000) 12.429 11.811 ( -16.358 0.000 0.000) 16.358 11.811 ( 16.358 0.000 0.000) 16.358 12.046 ( -4.928 0.000 0.000) 4.928 12.046 ( 4.928 0.000 0.000) 4.928 12.922 ( -0.967 0.000 0.000) 0.967 12.922 ( 0.967 0.000 0.000) 0.967 13.510 ( -32.180 0.000 0.000) 32.180 13.510 ( 32.180 0.000 0.000) 32.180 15.968 ( -11.902 0.000 0.000) 11.902 15.968 ( 11.902 0.000 0.000) 11.902 20.081 ( -14.278 0.000 0.000) 14.278 20.081 ( 14.278 0.000 0.000) 14.278 20.947 ( -0.641 0.000 0.000) 0.641 20.947 ( 0.641 0.000 0.000) 0.641 22.495 ( -17.213 0.000 0.000) 17.213 22.495 ( 17.213 0.000 0.000) 17.213 23.597 ( -11.283 0.000 0.000) 11.283 23.597 ( 11.283 0.000 0.000) 11.283 26.965 ( -10.311 0.000 0.000) 10.311 26.965 ( 10.311 0.000 0.000) 10.311 ======================= Grid point 425 (81/90) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.583 7.583 0.000) 10.724 2.230 ( 3.669 3.669 0.000) 5.188 2.266 ( 5.691 5.691 0.000) 8.049 2.418 ( 19.492 19.492 0.000) 27.566 2.823 ( 11.648 11.648 -0.000) 16.473 3.009 ( 18.334 18.334 -0.000) 25.928 3.175 ( 4.651 4.651 0.000) 6.577 3.323 ( 4.516 4.516 0.000) 6.386 3.440 ( 10.987 10.987 0.000) 15.538 3.755 ( -7.877 -7.877 0.000) 11.140 3.979 ( -1.672 -1.672 0.000) 2.365 4.860 ( -17.804 -17.804 -0.000) 25.179 4.874 ( 4.205 4.205 -0.000) 5.947 4.888 ( 5.466 5.466 0.000) 7.730 5.325 ( -1.905 -1.905 0.000) 2.694 5.447 ( 3.123 3.123 0.000) 4.417 5.542 ( 4.616 4.616 0.000) 6.528 5.801 ( 4.984 4.984 0.000) 7.049 6.487 ( -7.106 -7.106 0.000) 10.049 7.218 ( -2.061 -2.061 -0.000) 2.915 7.489 ( 6.544 6.544 -0.000) 9.254 7.547 ( -3.317 -3.317 0.000) 4.691 7.614 ( 3.908 3.908 0.000) 5.526 7.742 ( -7.950 -7.950 0.000) 11.244 8.417 ( -1.981 -1.981 -0.000) 2.801 8.919 ( -1.170 -1.170 0.000) 1.654 9.447 ( 2.876 2.876 0.000) 4.067 9.455 ( -0.573 -0.573 -0.000) 0.810 9.509 ( 3.619 3.619 -0.000) 5.118 9.676 ( 11.769 11.769 0.000) 16.643 9.797 ( 1.463 1.463 0.000) 2.068 10.048 ( 12.167 12.167 0.000) 17.207 10.947 ( -2.000 -2.000 0.000) 2.829 11.126 ( -10.140 -10.140 0.000) 14.340 11.709 ( 4.526 4.526 -0.000) 6.401 11.714 ( -20.499 -20.499 0.000) 28.991 11.929 ( 17.585 17.585 -0.000) 24.869 12.255 ( 4.811 4.811 0.000) 6.803 12.848 ( -9.452 -9.452 -0.000) 13.368 12.935 ( -1.204 -1.204 -0.000) 1.703 12.969 ( -3.850 -3.850 -0.000) 5.445 14.497 ( 14.513 14.513 -0.000) 20.524 15.122 ( -5.338 -5.338 -0.000) 7.549 16.163 ( 1.311 1.311 0.000) 1.854 19.635 ( 0.421 0.421 0.000) 0.595 20.776 ( -7.086 -7.086 0.000) 10.022 20.911 ( -0.325 -0.325 0.000) 0.460 21.008 ( 1.103 1.103 0.000) 1.560 21.296 ( 15.675 15.675 0.000) 22.167 22.832 ( 1.648 1.648 0.000) 2.330 22.900 ( 8.196 8.196 0.000) 11.590 23.856 ( -0.010 -0.010 0.000) 0.013 26.566 ( 3.020 3.020 0.000) 4.270 27.430 ( -4.887 -4.887 0.000) 6.912 ======================= Grid point 427 (82/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 9.723 11.985 0.000) 15.433 2.154 ( -6.270 12.586 0.000) 14.061 2.548 ( 17.840 -2.754 0.000) 18.051 2.841 ( 20.338 2.470 0.000) 20.488 3.113 ( 20.495 19.414 -0.000) 28.231 3.263 ( 9.702 13.586 -0.000) 16.695 3.404 ( 2.778 0.820 0.000) 2.896 3.426 ( 16.558 7.594 -0.000) 18.216 3.560 ( -4.094 4.577 0.000) 6.140 3.701 ( 8.130 5.006 0.000) 9.548 3.966 ( -0.080 -3.753 -0.000) 3.754 4.556 ( -10.734 -14.000 0.000) 17.641 4.725 ( -10.350 11.938 -0.000) 15.800 5.191 ( 7.132 -6.252 -0.000) 9.484 5.218 ( -7.682 6.566 0.000) 10.106 5.388 ( 1.348 10.070 0.000) 10.160 5.706 ( 4.721 -5.328 0.000) 7.119 5.928 ( 7.596 0.806 -0.000) 7.638 6.483 ( 11.178 -1.441 0.000) 11.270 7.186 ( -1.047 -3.308 -0.000) 3.469 7.454 ( -5.947 -2.332 0.000) 6.388 7.552 ( -11.594 -10.065 0.000) 15.354 7.627 ( 8.666 2.470 0.000) 9.011 7.724 ( 7.208 2.802 0.000) 7.734 8.360 ( -3.992 3.268 -0.000) 5.159 8.871 ( -4.204 2.130 0.000) 4.713 9.424 ( -1.398 -3.117 -0.000) 3.416 9.561 ( 8.243 -1.375 0.000) 8.357 9.596 ( 4.036 2.343 -0.000) 4.667 9.767 ( -1.548 7.079 0.000) 7.246 9.893 ( 7.458 7.344 0.000) 10.467 10.338 ( 15.003 6.961 0.000) 16.539 10.779 ( -14.688 -0.888 0.000) 14.714 11.004 ( -3.944 -8.760 0.000) 9.607 11.334 ( -15.931 -25.015 0.000) 29.657 11.782 ( 2.648 1.500 -0.000) 3.043 12.313 ( 1.555 10.935 -0.000) 11.045 12.375 ( 27.160 17.690 0.000) 32.413 12.590 ( -13.833 -3.263 -0.000) 14.212 12.906 ( -1.704 -2.458 0.000) 2.991 12.923 ( -1.744 -6.671 -0.000) 6.896 14.577 ( -11.794 17.061 0.000) 20.740 15.211 ( 18.435 -9.900 -0.000) 20.925 16.173 ( -0.833 0.182 0.000) 0.853 19.678 ( 4.618 -0.918 0.000) 4.708 20.585 ( -12.762 -5.639 0.000) 13.953 20.912 ( 0.349 -1.221 0.000) 1.270 21.004 ( -1.114 2.326 0.000) 2.579 21.700 ( 25.081 11.353 0.000) 27.530 22.844 ( -0.936 2.933 0.000) 3.079 23.116 ( 13.766 5.845 0.000) 14.956 23.843 ( -1.756 0.512 0.000) 1.829 26.650 ( 5.952 2.022 0.000) 6.286 27.305 ( -8.130 -3.820 0.000) 8.983 ======================= Grid point 429 (83/90) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 10.734 13.936 0.000) 17.590 2.011 ( -8.779 13.407 0.000) 16.026 2.899 ( 18.757 -3.009 0.000) 18.997 3.079 ( 6.794 -6.019 -0.000) 9.077 3.347 ( -5.850 -6.282 0.000) 8.584 3.407 ( 9.088 17.376 0.000) 19.609 3.569 ( 1.627 4.901 -0.000) 5.164 3.571 ( 3.584 8.629 0.000) 9.344 3.681 ( 28.595 14.073 0.000) 31.870 3.829 ( 3.562 10.957 0.000) 11.522 3.875 ( -7.832 -3.314 -0.000) 8.505 4.503 ( -13.200 7.411 -0.000) 15.138 4.580 ( 9.665 -10.668 0.000) 14.395 5.015 ( -15.694 2.851 0.000) 15.951 5.112 ( -1.101 12.062 0.000) 12.112 5.439 ( -7.559 3.261 -0.000) 8.232 5.834 ( 13.168 -2.985 0.000) 13.502 6.052 ( 4.443 -0.438 0.000) 4.464 6.825 ( 18.861 -7.377 0.000) 20.253 7.189 ( 1.530 -3.356 -0.000) 3.688 7.313 ( -11.252 -9.841 0.000) 14.948 7.349 ( -7.019 -4.037 0.000) 8.097 7.854 ( 15.480 0.338 -0.000) 15.484 7.871 ( 8.036 2.754 0.000) 8.495 8.285 ( -2.410 10.207 -0.000) 10.488 8.740 ( -10.798 5.369 0.000) 12.059 9.424 ( 1.801 -5.653 -0.000) 5.933 9.647 ( -2.917 5.467 -0.000) 6.196 9.649 ( 1.941 4.541 0.000) 4.939 9.761 ( -0.520 1.377 -0.000) 1.472 9.949 ( 3.380 -4.947 0.000) 5.991 10.473 ( -17.062 -6.853 0.000) 18.387 10.557 ( 9.848 8.773 0.000) 13.189 10.906 ( -6.897 -1.617 0.000) 7.084 11.257 ( 7.746 -24.723 0.000) 25.908 11.748 ( -7.996 -8.331 -0.000) 11.548 12.319 ( -0.780 13.374 0.000) 13.397 12.335 ( -7.067 9.155 -0.000) 11.565 12.873 ( 2.044 -5.278 -0.000) 5.660 12.878 ( -1.110 -3.922 0.000) 4.076 13.021 ( 30.685 12.884 0.000) 33.281 14.194 ( -26.007 13.687 0.000) 29.389 15.616 ( 20.713 -5.734 0.000) 21.492 16.113 ( -5.956 -1.338 0.000) 6.104 19.815 ( 9.952 -2.371 0.000) 10.230 20.318 ( -14.962 -4.573 0.000) 15.646 20.924 ( 0.947 -1.217 0.000) 1.542 20.977 ( -1.615 1.162 0.000) 1.990 22.171 ( 23.622 8.237 0.000) 25.017 22.772 ( -7.402 4.011 0.000) 8.419 23.385 ( 14.115 4.049 0.000) 14.685 23.776 ( -5.702 1.372 0.000) 5.865 26.786 ( 8.300 0.625 0.000) 8.324 27.136 ( -9.516 -2.432 0.000) 9.822 ======================= Grid point 431 (84/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -10.409 14.062 0.000) 17.495 1.829 ( 10.409 14.062 0.000) 17.495 3.147 ( -1.601 -4.073 0.000) 4.376 3.147 ( 1.601 -4.073 0.000) 4.376 3.342 ( -10.137 -5.145 0.000) 11.368 3.342 ( 10.137 -5.145 0.000) 11.368 3.599 ( -1.795 14.900 0.000) 15.007 3.599 ( 1.795 14.900 0.000) 15.007 3.831 ( -1.808 6.260 0.000) 6.516 3.831 ( 1.808 6.260 0.000) 6.516 4.189 ( -22.130 8.338 0.000) 23.648 4.189 ( 22.130 8.338 0.000) 23.648 4.753 ( -10.148 -3.687 0.000) 10.797 4.753 ( 10.148 -3.687 0.000) 10.797 5.227 ( -11.584 9.409 -0.000) 14.924 5.227 ( 11.584 9.409 0.000) 14.924 6.043 ( -6.316 -2.131 0.000) 6.666 6.043 ( 6.316 -2.131 0.000) 6.666 7.097 ( -11.467 -10.950 0.000) 15.856 7.097 ( 11.467 -10.950 0.000) 15.856 7.245 ( -4.386 -2.872 0.000) 5.243 7.245 ( 4.386 -2.872 0.000) 5.243 7.998 ( -3.518 0.522 0.000) 3.556 7.998 ( 3.518 0.522 0.000) 3.556 8.442 ( -18.814 11.022 0.000) 21.805 8.442 ( 18.814 11.022 -0.000) 21.805 9.512 ( -7.866 -2.559 0.000) 8.271 9.512 ( 7.866 -2.559 0.000) 8.271 9.691 ( -3.110 5.625 0.000) 6.428 9.691 ( 3.110 5.625 0.000) 6.428 10.161 ( -15.504 -10.156 0.000) 18.534 10.161 ( 15.504 -10.156 0.000) 18.534 10.746 ( -9.831 4.552 0.000) 10.834 10.746 ( 9.831 4.552 0.000) 10.834 11.504 ( -15.519 -17.399 0.000) 23.315 11.504 ( 15.519 -17.400 0.000) 23.315 12.296 ( -1.009 13.302 0.000) 13.341 12.296 ( 1.009 13.302 0.000) 13.341 12.869 ( -0.145 -5.234 -0.000) 5.236 12.869 ( 0.145 -5.234 0.000) 5.236 13.642 ( -32.090 13.733 0.000) 34.905 13.642 ( 32.090 13.733 0.000) 34.905 15.937 ( -13.115 -3.274 0.000) 13.518 15.937 ( 13.115 -3.274 0.000) 13.518 20.043 ( -13.839 -3.579 0.000) 14.294 20.043 ( 13.839 -3.579 0.000) 14.294 20.947 ( -1.449 -0.318 0.000) 1.483 20.947 ( 1.449 -0.318 0.000) 1.483 22.551 ( -16.186 5.730 0.000) 17.170 22.551 ( 16.186 5.730 0.000) 17.170 23.622 ( -10.615 2.556 0.000) 10.918 23.622 ( 10.615 2.556 0.000) 10.918 26.955 ( -9.527 -0.916 0.000) 9.571 26.955 ( 9.527 -0.916 0.000) 9.571 ======================= Grid point 445 (85/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 13.298 13.298 0.000) 18.806 2.388 ( 4.409 4.409 0.000) 6.235 2.527 ( 7.491 7.491 0.000) 10.594 2.911 ( 4.505 4.505 0.000) 6.371 3.342 ( -6.589 -6.589 0.000) 9.318 3.535 ( 17.478 17.478 0.000) 24.718 3.558 ( 22.421 22.421 -0.000) 31.708 3.596 ( 2.895 2.895 -0.000) 4.095 3.605 ( 6.603 6.603 0.000) 9.339 3.891 ( -3.281 -3.281 -0.000) 4.640 3.935 ( 13.830 13.830 0.000) 19.558 4.355 ( -3.592 -3.592 0.000) 5.080 4.940 ( -2.064 -2.064 -0.000) 2.919 5.027 ( -1.667 -1.667 -0.000) 2.358 5.276 ( 0.063 0.063 0.000) 0.089 5.589 ( 1.843 1.843 0.000) 2.607 5.638 ( 6.282 6.282 0.000) 8.884 5.988 ( 5.544 5.544 -0.000) 7.840 6.490 ( 4.031 4.031 0.000) 5.700 7.125 ( -2.418 -2.418 -0.000) 3.420 7.310 ( -14.745 -14.745 0.000) 20.852 7.381 ( -5.230 -5.230 0.000) 7.396 7.717 ( 7.862 7.862 -0.000) 11.119 7.819 ( 7.110 7.110 0.000) 10.055 8.434 ( 4.096 4.096 0.000) 5.793 8.904 ( 0.559 0.559 0.000) 0.790 9.327 ( -5.470 -5.470 -0.000) 7.735 9.572 ( 3.156 3.156 0.000) 4.463 9.678 ( 5.053 5.053 -0.000) 7.146 9.855 ( 1.118 1.118 0.000) 1.581 10.020 ( 3.988 3.988 0.000) 5.639 10.571 ( 16.436 16.436 0.000) 23.244 10.681 ( -12.986 -12.986 0.000) 18.365 10.812 ( -7.654 -7.654 0.000) 10.824 10.835 ( -24.267 -24.267 0.000) 34.318 11.827 ( 1.125 1.125 0.000) 1.591 12.464 ( 4.752 4.752 0.000) 6.720 12.475 ( -7.852 -7.852 -0.000) 11.104 12.810 ( -3.757 -3.757 0.000) 5.314 12.820 ( 28.078 28.078 -0.000) 39.709 12.847 ( -3.507 -3.507 0.000) 4.959 14.876 ( -7.004 -7.004 -0.000) 9.905 15.062 ( 14.105 14.105 0.000) 19.947 16.157 ( -2.486 -2.486 0.000) 3.516 19.687 ( 2.505 2.505 0.000) 3.543 20.430 ( -10.558 -10.558 0.000) 14.932 20.891 ( -0.698 -0.698 0.000) 0.987 21.017 ( -1.061 -1.061 0.000) 1.500 22.006 ( 19.785 19.785 0.000) 27.981 22.891 ( 1.115 1.115 0.000) 1.577 23.274 ( 10.572 10.572 0.000) 14.951 23.845 ( -0.723 -0.723 0.000) 1.022 26.709 ( 4.191 4.191 0.000) 5.926 27.207 ( -6.376 -6.376 0.000) 9.016 ======================= Grid point 447 (86/90) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 12.086 15.895 0.000) 19.968 2.304 ( -7.847 16.369 0.000) 18.153 2.823 ( 18.064 -4.767 0.000) 18.683 2.992 ( 3.953 -3.031 0.000) 4.981 3.210 ( -6.388 -7.636 0.000) 9.956 3.511 ( -13.290 -5.828 0.000) 14.512 3.676 ( 4.938 4.222 -0.000) 6.497 3.805 ( 3.536 9.637 0.000) 10.265 3.885 ( 11.030 9.307 0.000) 14.432 4.009 ( 22.135 20.983 -0.000) 30.500 4.139 ( 7.216 17.243 0.000) 18.692 4.465 ( 11.344 -0.479 -0.000) 11.355 4.664 ( -18.007 8.367 0.000) 19.856 4.985 ( -10.539 -7.309 -0.000) 12.826 5.285 ( 2.853 6.296 0.000) 6.913 5.583 ( -5.180 10.987 -0.000) 12.147 5.804 ( 12.580 1.206 0.000) 12.638 6.090 ( 3.297 5.253 -0.000) 6.202 6.650 ( 10.508 -10.344 0.000) 14.745 7.031 ( -13.831 -18.327 0.000) 22.960 7.113 ( 1.246 -3.883 -0.000) 4.078 7.274 ( -5.904 -4.713 0.000) 7.554 7.937 ( 14.207 9.447 -0.000) 17.061 7.974 ( 8.629 8.486 0.000) 12.103 8.507 ( 4.492 12.324 -0.000) 13.117 8.864 ( -5.533 6.953 0.000) 8.886 9.273 ( 0.992 -9.225 -0.000) 9.278 9.659 ( 0.779 -4.806 0.000) 4.869 9.762 ( 3.823 6.491 0.000) 7.533 9.804 ( -4.379 3.472 -0.000) 5.589 9.952 ( -8.238 4.507 0.000) 9.390 10.347 ( -19.575 -6.383 0.000) 20.590 10.527 ( -2.284 -20.794 0.000) 20.919 10.702 ( -5.701 -18.773 0.000) 19.620 10.978 ( 22.151 5.223 0.000) 22.758 11.729 ( -12.700 4.143 0.000) 13.359 12.383 ( -0.232 -3.634 0.000) 3.641 12.494 ( -1.313 4.376 -0.000) 4.569 12.769 ( -0.925 -4.038 -0.000) 4.143 12.789 ( -2.262 -4.602 0.000) 5.128 13.401 ( 32.205 25.614 0.000) 41.149 14.507 ( -24.569 16.429 0.000) 29.556 15.490 ( 22.541 -6.007 0.000) 23.328 16.063 ( -7.903 -4.374 0.000) 9.033 19.783 ( 7.676 -0.476 0.000) 7.690 20.204 ( -12.843 -7.239 0.000) 14.743 20.892 ( 0.901 -1.899 0.000) 2.103 20.976 ( -2.812 -1.440 0.000) 3.159 22.385 ( 19.206 13.650 0.000) 23.562 22.859 ( -4.991 4.467 0.000) 6.698 23.489 ( 11.489 6.605 0.000) 13.252 23.802 ( -4.168 0.985 0.000) 4.283 26.807 ( 6.137 1.665 0.000) 6.359 27.075 ( -7.427 -3.948 0.000) 8.411 ======================= Grid point 449 (87/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -10.329 16.857 0.000) 19.769 2.132 ( 10.329 16.857 0.000) 19.769 3.055 ( -0.792 -5.163 0.000) 5.223 3.055 ( 0.792 -5.163 0.000) 5.223 3.219 ( -14.247 -7.943 -0.000) 16.312 3.219 ( 14.247 -7.943 0.000) 16.312 3.762 ( -3.892 4.634 0.000) 6.052 3.762 ( 3.892 4.634 0.000) 6.052 4.152 ( -8.625 22.515 0.000) 24.111 4.152 ( 8.625 22.515 0.000) 24.111 4.338 ( -15.060 6.360 -0.000) 16.348 4.338 ( 15.060 6.360 0.000) 16.348 4.714 ( -15.544 -0.710 -0.000) 15.561 4.714 ( 15.544 -0.710 0.000) 15.561 5.413 ( -9.911 9.786 -0.000) 13.928 5.413 ( 9.911 9.786 0.000) 13.928 6.041 ( -9.171 3.141 0.000) 9.694 6.041 ( 9.171 3.141 0.000) 9.694 6.822 ( -8.666 -17.728 0.000) 19.733 6.822 ( 8.666 -17.728 0.000) 19.733 7.171 ( -4.666 -4.424 0.000) 6.430 7.171 ( 4.666 -4.424 0.000) 6.430 8.089 ( -1.013 9.964 0.000) 10.016 8.089 ( 1.013 9.964 0.000) 10.016 8.678 ( -13.096 12.922 0.000) 18.398 8.678 ( 13.096 12.922 -0.000) 18.398 9.408 ( -14.136 -8.344 0.000) 16.415 9.408 ( 14.136 -8.344 0.000) 16.415 9.825 ( -2.642 7.282 0.000) 7.746 9.825 ( 2.642 7.282 0.000) 7.746 10.005 ( -15.193 -5.728 0.000) 16.236 10.005 ( 15.193 -5.728 0.000) 16.236 10.590 ( -5.871 -20.724 0.000) 21.540 10.590 ( 5.871 -20.724 0.000) 21.540 11.394 ( -21.147 5.481 -0.000) 21.846 11.394 ( 21.147 5.481 0.000) 21.846 12.435 ( -4.128 0.738 0.000) 4.194 12.435 ( 4.128 0.738 0.000) 4.194 12.765 ( -0.462 -4.232 0.000) 4.257 12.765 ( 0.462 -4.232 0.000) 4.257 13.992 ( -29.864 21.772 0.000) 36.958 13.992 ( 29.864 21.772 0.000) 36.958 15.848 ( -15.200 -6.021 0.000) 16.349 15.848 ( 15.200 -6.021 0.000) 16.349 19.968 ( -11.693 -3.808 0.000) 12.297 19.968 ( 11.693 -3.808 0.000) 12.297 20.925 ( -2.416 -2.073 0.000) 3.184 20.925 ( 2.416 -2.073 0.000) 3.184 22.692 ( -12.848 8.513 0.000) 15.412 22.692 ( 12.848 8.513 0.000) 15.412 23.682 ( -8.568 3.393 0.000) 9.215 23.682 ( 8.568 3.393 0.000) 9.215 26.935 ( -7.295 -1.174 0.000) 7.389 26.935 ( 7.295 -1.174 0.000) 7.389 ======================= Grid point 465 (88/90) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 13.851 13.851 0.000) 19.588 2.541 ( 3.361 3.361 0.000) 4.753 2.783 ( 5.515 5.515 0.000) 7.799 2.962 ( -0.300 -0.300 0.000) 0.424 3.079 ( -5.820 -5.820 0.000) 8.230 3.313 ( -13.515 -13.515 -0.000) 19.112 3.762 ( 4.872 4.872 -0.000) 6.890 3.879 ( 0.513 0.513 0.000) 0.725 4.129 ( 14.770 14.770 -0.000) 20.888 4.372 ( 14.722 14.722 -0.000) 20.820 4.386 ( 8.917 8.917 0.000) 12.610 4.542 ( 6.616 6.616 0.000) 9.357 4.753 ( -5.914 -5.914 -0.000) 8.363 4.766 ( -8.967 -8.967 -0.000) 12.681 5.401 ( 8.080 8.080 0.000) 11.426 5.814 ( 7.780 7.780 0.000) 11.003 5.820 ( 2.679 2.679 0.000) 3.789 6.222 ( 6.238 6.238 0.000) 8.822 6.501 ( -3.742 -3.742 0.000) 5.293 6.665 ( -18.904 -18.904 0.000) 26.734 7.069 ( -0.386 -0.386 -0.000) 0.546 7.181 ( -4.902 -4.902 0.000) 6.933 8.181 ( 12.684 12.684 0.000) 17.938 8.207 ( 17.270 17.270 -0.000) 24.423 8.713 ( 8.986 8.986 0.000) 12.708 8.963 ( 2.246 2.246 0.000) 3.176 9.126 ( -4.444 -4.444 -0.000) 6.285 9.523 ( -11.778 -11.778 0.000) 16.657 9.842 ( -0.668 -0.668 0.000) 0.945 9.871 ( 4.767 4.767 -0.000) 6.741 10.013 ( -2.547 -2.547 0.000) 3.602 10.118 ( -8.674 -8.674 0.000) 12.267 10.213 ( -10.676 -10.676 0.000) 15.098 10.319 ( -16.925 -16.925 0.000) 23.935 11.232 ( 17.127 17.127 0.000) 24.222 11.765 ( -3.855 -3.855 -0.000) 5.452 12.292 ( -2.205 -2.205 0.000) 3.119 12.475 ( -5.445 -5.445 -0.000) 7.700 12.734 ( -0.379 -0.379 0.000) 0.535 12.739 ( -0.779 -0.779 0.000) 1.101 13.913 ( 27.303 27.303 0.000) 38.612 14.649 ( -4.535 -4.535 0.000) 6.414 15.494 ( 8.279 8.279 0.000) 11.708 15.938 ( -9.019 -9.019 0.000) 12.755 19.811 ( 3.547 3.547 0.000) 5.016 20.057 ( -8.130 -8.130 0.000) 11.498 20.866 ( -0.522 -0.522 0.000) 0.738 20.930 ( -3.034 -3.034 0.000) 4.291 22.644 ( 12.873 12.873 0.000) 18.205 22.907 ( -0.129 -0.129 0.000) 0.182 23.620 ( 7.023 7.023 0.000) 9.932 23.799 ( -1.575 -1.575 0.000) 2.228 26.850 ( 2.946 2.946 0.000) 4.166 26.995 ( -4.362 -4.362 0.000) 6.168 ======================= Grid point 467 (89/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -10.372 14.503 0.000) 17.830 2.433 ( 10.372 14.503 0.000) 17.830 2.970 ( -1.774 -3.583 0.000) 3.998 2.970 ( 1.774 -3.583 0.000) 3.998 3.050 ( -10.834 -9.458 -0.000) 14.381 3.050 ( 10.834 -9.458 -0.000) 14.381 3.845 ( -3.548 4.011 0.000) 5.355 3.845 ( 3.548 4.011 0.000) 5.355 4.427 ( -14.106 4.878 -0.000) 14.926 4.427 ( 14.106 4.878 0.000) 14.926 4.501 ( -2.112 11.532 0.000) 11.723 4.501 ( 2.112 11.531 0.000) 11.723 4.685 ( -7.365 -2.840 0.000) 7.894 4.685 ( 7.365 -2.840 0.000) 7.894 5.617 ( -13.744 13.131 0.000) 19.008 5.617 ( 13.744 13.131 0.000) 19.008 6.135 ( -16.377 2.869 0.000) 16.626 6.135 ( 16.377 2.869 0.000) 16.626 6.477 ( -0.344 -16.066 0.000) 16.070 6.477 ( 0.344 -16.066 0.000) 16.070 7.100 ( -3.359 -2.822 0.000) 4.387 7.100 ( 3.359 -2.822 0.000) 4.387 8.375 ( -3.985 19.724 0.000) 20.123 8.375 ( 3.985 19.724 0.000) 20.123 8.895 ( -10.168 9.233 0.000) 13.734 8.895 ( 10.168 9.233 0.000) 13.734 9.201 ( -14.313 -13.723 0.000) 19.829 9.201 ( 14.313 -13.723 0.000) 19.829 9.911 ( -7.567 -0.179 0.000) 7.569 9.911 ( 7.567 -0.179 -0.000) 7.569 9.957 ( -1.968 0.997 0.000) 2.207 9.957 ( 1.968 0.997 0.000) 2.207 10.159 ( -5.249 -19.975 0.000) 20.654 10.159 ( 5.249 -19.975 0.000) 20.654 11.557 ( -16.093 9.089 0.000) 18.482 11.557 ( 16.093 9.089 0.000) 18.482 12.349 ( -6.564 -7.415 0.000) 9.903 12.349 ( 6.564 -7.415 0.000) 9.903 12.734 ( -0.153 0.039 0.000) 0.158 12.734 ( 0.153 0.039 0.000) 0.158 14.381 ( -21.247 17.350 0.000) 27.430 14.381 ( 21.247 17.350 0.000) 27.430 15.725 ( -13.295 -6.338 0.000) 14.729 15.725 ( 13.295 -6.338 0.000) 14.729 19.912 ( -6.918 -2.059 0.000) 7.218 19.912 ( 6.918 -2.059 0.000) 7.218 20.880 ( -1.918 -2.236 0.000) 2.946 20.880 ( 1.918 -2.236 0.000) 2.946 22.839 ( -7.227 6.208 0.000) 9.527 22.839 ( 7.227 6.208 0.000) 9.527 23.737 ( -4.973 2.210 0.000) 5.442 23.737 ( 4.973 2.210 0.000) 5.442 26.916 ( -3.952 -0.741 0.000) 4.021 26.916 ( 3.952 -0.741 0.000) 4.021 ======================= Grid point 493 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.907 ( -0.000 -0.000 0.000) 0.000 2.907 ( -0.000 -0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 -0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.511 ( -0.000 -0.000 -0.000) 0.000 4.511 ( 0.000 0.000 -0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 5.858 ( -0.000 -0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 -0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 15.653 ( -0.000 -0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 19.892 ( 0.000 0.000 0.000) 0.000 19.892 ( 0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 22.901 ( 0.000 0.000 0.000) 0.000 22.901 ( 0.000 0.000 0.000) 0.000 23.758 ( 0.000 0.000 0.000) 0.000 23.758 ( 0.000 0.000 0.000) 0.000 26.909 ( 0.000 0.000 0.000) 0.000 26.909 ( 0.000 0.000 0.000) 0.000 =================== 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 3/34560 10.0 273.481 273.481 126.424 0.000 0.000 0.000 3/34560 20.0 52.795 52.795 49.647 0.000 0.000 0.000 3/34560 30.0 22.984 22.984 21.917 0.000 0.000 0.000 3/34560 40.0 13.828 13.828 13.030 0.000 0.000 0.000 3/34560 50.0 9.860 9.860 9.145 -0.000 -0.000 0.000 3/34560 60.0 7.733 7.733 7.037 -0.000 -0.000 0.000 3/34560 70.0 6.429 6.429 5.731 -0.000 -0.000 0.000 3/34560 80.0 5.554 5.554 4.850 -0.000 -0.000 0.000 3/34560 90.0 4.928 4.928 4.219 -0.000 -0.000 0.000 3/34560 100.0 4.458 4.458 3.745 -0.000 -0.000 0.000 3/34560 110.0 4.091 4.091 3.378 -0.000 -0.000 0.000 3/34560 120.0 3.795 3.795 3.085 -0.000 -0.000 0.000 3/34560 130.0 3.549 3.549 2.846 -0.000 -0.000 0.000 3/34560 140.0 3.340 3.340 2.647 -0.000 -0.000 0.000 3/34560 150.0 3.159 3.159 2.480 -0.000 -0.000 0.000 3/34560 160.0 2.999 2.999 2.337 -0.000 -0.000 0.000 3/34560 170.0 2.857 2.857 2.213 -0.000 -0.000 0.000 3/34560 180.0 2.730 2.730 2.106 -0.000 -0.000 0.000 3/34560 190.0 2.614 2.614 2.012 -0.000 -0.000 0.000 3/34560 200.0 2.508 2.508 1.928 -0.000 -0.000 0.000 3/34560 210.0 2.412 2.412 1.854 -0.000 0.000 0.000 3/34560 220.0 2.322 2.322 1.787 -0.000 0.000 0.000 3/34560 230.0 2.240 2.240 1.727 -0.000 0.000 0.000 3/34560 240.0 2.163 2.163 1.673 -0.000 0.000 0.000 3/34560 250.0 2.092 2.092 1.623 -0.000 0.000 0.000 3/34560 260.0 2.025 2.025 1.578 -0.000 0.000 0.000 3/34560 270.0 1.963 1.963 1.536 -0.000 0.000 0.000 3/34560 280.0 1.905 1.905 1.497 -0.000 0.000 0.000 3/34560 290.0 1.850 1.850 1.460 -0.000 0.000 0.000 3/34560 300.0 1.798 1.798 1.426 -0.000 0.000 0.000 3/34560 310.0 1.749 1.749 1.394 -0.000 0.000 0.000 3/34560 320.0 1.702 1.702 1.364 -0.000 0.000 0.000 3/34560 330.0 1.658 1.658 1.336 -0.000 0.000 0.000 3/34560 340.0 1.617 1.617 1.309 -0.000 0.000 0.000 3/34560 350.0 1.577 1.577 1.283 0.000 0.000 0.000 3/34560 360.0 1.539 1.539 1.259 0.000 0.000 0.000 3/34560 370.0 1.503 1.503 1.235 0.000 0.000 0.000 3/34560 380.0 1.469 1.469 1.213 0.000 0.000 0.000 3/34560 390.0 1.436 1.436 1.191 0.000 0.000 0.000 3/34560 400.0 1.405 1.405 1.170 0.000 0.000 0.000 3/34560 410.0 1.374 1.374 1.150 0.000 0.000 0.000 3/34560 420.0 1.346 1.346 1.131 0.000 0.000 0.000 3/34560 430.0 1.318 1.318 1.112 0.000 0.000 0.000 3/34560 440.0 1.291 1.291 1.094 0.000 0.000 0.000 3/34560 450.0 1.266 1.266 1.077 0.000 0.000 0.000 3/34560 460.0 1.241 1.241 1.060 0.000 0.000 0.000 3/34560 470.0 1.218 1.218 1.043 0.000 0.000 0.000 3/34560 480.0 1.195 1.195 1.028 0.000 0.000 0.000 3/34560 490.0 1.173 1.173 1.012 0.000 0.000 0.000 3/34560 500.0 1.152 1.152 0.997 0.000 0.000 0.000 3/34560 510.0 1.132 1.132 0.982 0.000 0.000 0.000 3/34560 520.0 1.112 1.112 0.968 0.000 0.000 0.000 3/34560 530.0 1.093 1.093 0.954 0.000 0.000 0.000 3/34560 540.0 1.074 1.074 0.941 0.000 0.000 0.000 3/34560 550.0 1.056 1.056 0.928 0.000 0.000 0.000 3/34560 560.0 1.039 1.039 0.915 0.000 0.000 0.000 3/34560 570.0 1.022 1.022 0.903 0.000 0.000 0.000 3/34560 580.0 1.006 1.006 0.891 0.000 0.000 0.000 3/34560 590.0 0.991 0.991 0.879 0.000 0.000 0.000 3/34560 600.0 0.975 0.975 0.867 0.000 0.000 0.000 3/34560 610.0 0.961 0.961 0.856 0.000 0.000 0.000 3/34560 620.0 0.946 0.946 0.845 0.000 0.000 0.000 3/34560 630.0 0.932 0.932 0.834 0.000 0.000 0.000 3/34560 640.0 0.919 0.919 0.824 0.000 0.000 0.000 3/34560 650.0 0.906 0.906 0.813 0.000 0.000 0.000 3/34560 660.0 0.893 0.893 0.803 0.000 0.000 0.000 3/34560 670.0 0.880 0.880 0.794 0.000 0.000 0.000 3/34560 680.0 0.868 0.868 0.784 0.000 0.000 0.000 3/34560 690.0 0.856 0.856 0.775 0.000 0.000 0.000 3/34560 700.0 0.845 0.845 0.766 0.000 0.000 0.000 3/34560 710.0 0.834 0.834 0.757 0.000 0.000 0.000 3/34560 720.0 0.823 0.823 0.748 0.000 0.000 0.000 3/34560 730.0 0.812 0.812 0.739 0.000 0.000 0.000 3/34560 740.0 0.802 0.802 0.731 0.000 0.000 0.000 3/34560 750.0 0.792 0.792 0.723 0.000 0.000 0.000 3/34560 760.0 0.782 0.782 0.715 0.000 0.000 0.000 3/34560 770.0 0.772 0.772 0.707 0.000 0.000 0.000 3/34560 780.0 0.763 0.763 0.699 0.000 0.000 0.000 3/34560 790.0 0.754 0.754 0.691 0.000 0.000 0.000 3/34560 800.0 0.745 0.745 0.684 0.000 0.000 0.000 3/34560 810.0 0.736 0.736 0.677 0.000 0.000 0.000 3/34560 820.0 0.728 0.728 0.670 0.000 0.000 0.000 3/34560 830.0 0.719 0.719 0.663 0.000 0.000 0.000 3/34560 840.0 0.711 0.711 0.656 0.000 0.000 0.000 3/34560 850.0 0.703 0.703 0.649 0.000 0.000 0.000 3/34560 860.0 0.695 0.695 0.643 0.000 0.000 0.000 3/34560 870.0 0.688 0.688 0.636 0.000 0.000 0.000 3/34560 880.0 0.680 0.680 0.630 0.000 0.000 0.000 3/34560 890.0 0.673 0.673 0.624 0.000 0.000 0.000 3/34560 900.0 0.666 0.666 0.617 0.000 0.000 0.000 3/34560 910.0 0.659 0.659 0.611 0.000 0.000 0.000 3/34560 920.0 0.652 0.652 0.606 0.000 0.000 0.000 3/34560 930.0 0.645 0.645 0.600 0.000 0.000 0.000 3/34560 940.0 0.639 0.639 0.594 0.000 0.000 0.000 3/34560 950.0 0.632 0.632 0.589 0.000 0.000 0.000 3/34560 960.0 0.626 0.626 0.583 0.000 0.000 0.000 3/34560 970.0 0.619 0.619 0.578 0.000 0.000 0.000 3/34560 980.0 0.613 0.613 0.572 0.000 0.000 0.000 3/34560 990.0 0.607 0.607 0.567 0.000 0.000 0.000 3/34560 1000.0 0.602 0.602 0.562 0.000 0.000 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:25:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|