----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.723993326640066 0.000000000000000 0.000000000000000 b -2.861996663320033 4.957123631962896 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): *1 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 *2 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 3 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 4 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 5 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 6 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 *7 Ga 0.33400146744619 0.00000000000000 0.49694982300930 69.723 8 Ga 0.66599853255381 0.00000000000000 0.99694982300930 69.723 9 Ga 0.66599853255381 0.66599853255381 0.49694982300930 69.723 10 Ga 0.33400146744619 0.33400146744619 0.99694982300930 69.723 11 Ga 0.00000000000000 0.66599853255381 0.99694982300930 69.723 12 Ga 0.00000000000000 0.33400146744619 0.49694982300930 69.723 *13 O 0.30457033402194 0.00000000000000 0.32909863022865 15.999 *14 O 0.36259887845197 0.00000000000000 0.66219782170685 15.999 15 O 0.63740112154803 0.00000000000000 0.16219782170685 15.999 16 O 0.69542966597806 0.00000000000000 0.82909863022865 15.999 *17 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 *18 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 19 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 20 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 21 O 0.69542966597806 0.69542966597806 0.32909863022865 15.999 22 O 0.63740112154803 0.63740112154803 0.66219782170685 15.999 23 O 0.00000000000000 0.69542966597806 0.82909863022865 15.999 24 O 0.36259887845197 0.36259887845197 0.16219782170685 15.999 25 O 0.30457033402194 0.30457033402194 0.82909863022865 15.999 26 O 0.00000000000000 0.63740112154803 0.16219782170685 15.999 27 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 28 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 29 O 0.00000000000000 0.36259887845197 0.66219782170685 15.999 30 O 0.00000000000000 0.30457033402194 0.32909863022865 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.723993326640066 0.000000000000000 0.000000000000000 b -2.861996663320033 4.957123631962896 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): *1 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 > 1 *2 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 > 2 3 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 > 3 4 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 > 4 5 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 > 5 6 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 > 6 *7 Ga 0.33400146744619 0.00000000000000 0.49694982300930 69.723 > 7 8 Ga 0.66599853255381 0.00000000000000 0.99694982300930 69.723 > 8 9 Ga 0.66599853255381 0.66599853255381 0.49694982300930 69.723 > 9 10 Ga 0.33400146744619 0.33400146744619 0.99694982300930 69.723 > 10 11 Ga 0.00000000000000 0.66599853255381 0.99694982300930 69.723 > 11 12 Ga 0.00000000000000 0.33400146744619 0.49694982300930 69.723 > 12 *13 O 0.30457033402194 0.00000000000000 0.32909863022865 15.999 > 13 *14 O 0.36259887845197 0.00000000000000 0.66219782170685 15.999 > 14 15 O 0.63740112154803 0.00000000000000 0.16219782170685 15.999 > 15 16 O 0.69542966597806 0.00000000000000 0.82909863022865 15.999 > 16 *17 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 > 18 19 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 > 19 20 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 > 20 21 O 0.69542966597806 0.69542966597806 0.32909863022865 15.999 > 21 22 O 0.63740112154803 0.63740112154803 0.66219782170685 15.999 > 22 23 O 0.00000000000000 0.69542966597806 0.82909863022865 15.999 > 23 24 O 0.36259887845197 0.36259887845197 0.16219782170685 15.999 > 24 25 O 0.30457033402194 0.30457033402194 0.82909863022865 15.999 > 25 26 O 0.00000000000000 0.63740112154803 0.16219782170685 15.999 > 26 27 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 > 27 28 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 > 28 29 O 0.00000000000000 0.36259887845197 0.66219782170685 15.999 > 29 30 O 0.00000000000000 0.30457033402194 0.32909863022865 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.447986653280132 0.000000000000000 0.000000000000000 b -5.723993326640066 9.914247263925793 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): *1 Sc 0.16666666666667 0.33333333333333 0.76325419710074 44.956 > 1 2 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 > 1 3 Sc 0.16666666666667 0.83333333333333 0.76325419710074 44.956 > 1 4 Sc 0.66666666666667 0.83333333333333 0.76325419710074 44.956 > 1 *5 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 > 2 6 Sc 0.50000000000000 0.00000000000000 0.72336014480605 44.956 > 2 7 Sc 0.00000000000000 0.50000000000000 0.72336014480605 44.956 > 2 8 Sc 0.50000000000000 0.50000000000000 0.72336014480605 44.956 > 2 9 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 > 3 10 Sc 0.50000000000000 0.00000000000000 0.22336014480605 44.956 > 3 11 Sc 0.00000000000000 0.50000000000000 0.22336014480605 44.956 > 3 12 Sc 0.50000000000000 0.50000000000000 0.22336014480605 44.956 > 3 13 Sc 0.16666666666667 0.33333333333333 0.26325419710074 44.956 > 4 14 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 > 4 15 Sc 0.16666666666667 0.83333333333333 0.26325419710074 44.956 > 4 16 Sc 0.66666666666667 0.83333333333333 0.26325419710074 44.956 > 4 17 Sc 0.33333333333333 0.16666666666667 0.26325419710074 44.956 > 5 18 Sc 0.83333333333333 0.16666666666667 0.26325419710074 44.956 > 5 19 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 > 5 20 Sc 0.83333333333333 0.66666666666667 0.26325419710074 44.956 > 5 21 Sc 0.33333333333333 0.16666666666667 0.76325419710074 44.956 > 6 22 Sc 0.83333333333333 0.16666666666667 0.76325419710074 44.956 > 6 23 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 > 6 24 Sc 0.83333333333333 0.66666666666667 0.76325419710074 44.956 > 6 *25 Ga 0.16700073372310 0.00000000000000 0.49694982300930 69.723 > 7 26 Ga 0.66700073372310 0.00000000000000 0.49694982300930 69.723 > 7 27 Ga 0.16700073372310 0.50000000000000 0.49694982300930 69.723 > 7 28 Ga 0.66700073372310 0.50000000000000 0.49694982300930 69.723 > 7 29 Ga 0.33299926627690 0.00000000000000 0.99694982300930 69.723 > 8 30 Ga 0.83299926627690 0.00000000000000 0.99694982300930 69.723 > 8 31 Ga 0.33299926627690 0.50000000000000 0.99694982300930 69.723 > 8 32 Ga 0.83299926627690 0.50000000000000 0.99694982300930 69.723 > 8 33 Ga 0.33299926627690 0.33299926627690 0.49694982300930 69.723 > 9 34 Ga 0.83299926627690 0.33299926627690 0.49694982300930 69.723 > 9 35 Ga 0.33299926627690 0.83299926627690 0.49694982300930 69.723 > 9 36 Ga 0.83299926627690 0.83299926627690 0.49694982300930 69.723 > 9 37 Ga 0.16700073372310 0.16700073372310 0.99694982300930 69.723 > 10 38 Ga 0.66700073372310 0.16700073372310 0.99694982300930 69.723 > 10 39 Ga 0.16700073372310 0.66700073372310 0.99694982300930 69.723 > 10 40 Ga 0.66700073372310 0.66700073372310 0.99694982300930 69.723 > 10 41 Ga 0.00000000000000 0.33299926627690 0.99694982300930 69.723 > 11 42 Ga 0.50000000000000 0.33299926627690 0.99694982300930 69.723 > 11 43 Ga 0.00000000000000 0.83299926627690 0.99694982300930 69.723 > 11 44 Ga 0.50000000000000 0.83299926627690 0.99694982300930 69.723 > 11 45 Ga 0.00000000000000 0.16700073372310 0.49694982300930 69.723 > 12 46 Ga 0.50000000000000 0.16700073372310 0.49694982300930 69.723 > 12 47 Ga 0.00000000000000 0.66700073372310 0.49694982300930 69.723 > 12 48 Ga 0.50000000000000 0.66700073372310 0.49694982300930 69.723 > 12 *49 O 0.15228516701097 0.00000000000000 0.32909863022865 15.999 > 13 50 O 0.65228516701097 0.00000000000000 0.32909863022865 15.999 > 13 51 O 0.15228516701097 0.50000000000000 0.32909863022865 15.999 > 13 52 O 0.65228516701097 0.50000000000000 0.32909863022865 15.999 > 13 *53 O 0.18129943922599 0.00000000000000 0.66219782170685 15.999 > 14 54 O 0.68129943922599 0.00000000000000 0.66219782170685 15.999 > 14 55 O 0.18129943922599 0.50000000000000 0.66219782170685 15.999 > 14 56 O 0.68129943922599 0.50000000000000 0.66219782170685 15.999 > 14 57 O 0.31870056077401 0.00000000000000 0.16219782170685 15.999 > 15 58 O 0.81870056077401 0.00000000000000 0.16219782170685 15.999 > 15 59 O 0.31870056077401 0.50000000000000 0.16219782170685 15.999 > 15 60 O 0.81870056077401 0.50000000000000 0.16219782170685 15.999 > 15 61 O 0.34771483298903 0.00000000000000 0.82909863022865 15.999 > 16 62 O 0.84771483298903 0.00000000000000 0.82909863022865 15.999 > 16 63 O 0.34771483298903 0.50000000000000 0.82909863022865 15.999 > 16 64 O 0.84771483298903 0.50000000000000 0.82909863022865 15.999 > 16 *65 O 0.16666666666667 0.33333333333333 0.97313606546059 15.999 > 17 66 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 > 17 67 O 0.16666666666667 0.83333333333333 0.97313606546059 15.999 > 17 68 O 0.66666666666667 0.83333333333333 0.97313606546059 15.999 > 17 *69 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 > 18 70 O 0.50000000000000 0.00000000000000 0.52430828523696 15.999 > 18 71 O 0.00000000000000 0.50000000000000 0.52430828523696 15.999 > 18 72 O 0.50000000000000 0.50000000000000 0.52430828523696 15.999 > 18 73 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.02430828523696 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.02430828523696 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.02430828523696 15.999 > 19 77 O 0.16666666666667 0.33333333333333 0.47313606546059 15.999 > 20 78 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 > 20 79 O 0.16666666666667 0.83333333333333 0.47313606546059 15.999 > 20 80 O 0.66666666666667 0.83333333333333 0.47313606546059 15.999 > 20 81 O 0.34771483298903 0.34771483298903 0.32909863022865 15.999 > 21 82 O 0.84771483298903 0.34771483298903 0.32909863022865 15.999 > 21 83 O 0.34771483298903 0.84771483298903 0.32909863022865 15.999 > 21 84 O 0.84771483298903 0.84771483298903 0.32909863022865 15.999 > 21 85 O 0.31870056077401 0.31870056077401 0.66219782170685 15.999 > 22 86 O 0.81870056077401 0.31870056077401 0.66219782170685 15.999 > 22 87 O 0.31870056077401 0.81870056077401 0.66219782170685 15.999 > 22 88 O 0.81870056077401 0.81870056077401 0.66219782170685 15.999 > 22 89 O 0.00000000000000 0.34771483298903 0.82909863022865 15.999 > 23 90 O 0.50000000000000 0.34771483298903 0.82909863022865 15.999 > 23 91 O 0.00000000000000 0.84771483298903 0.82909863022865 15.999 > 23 92 O 0.50000000000000 0.84771483298903 0.82909863022865 15.999 > 23 93 O 0.18129943922599 0.18129943922599 0.16219782170685 15.999 > 24 94 O 0.68129943922599 0.18129943922599 0.16219782170685 15.999 > 24 95 O 0.18129943922599 0.68129943922599 0.16219782170685 15.999 > 24 96 O 0.68129943922599 0.68129943922599 0.16219782170685 15.999 > 24 97 O 0.15228516701097 0.15228516701097 0.82909863022865 15.999 > 25 98 O 0.65228516701097 0.15228516701097 0.82909863022865 15.999 > 25 99 O 0.15228516701097 0.65228516701097 0.82909863022865 15.999 > 25 100 O 0.65228516701097 0.65228516701097 0.82909863022865 15.999 > 25 101 O 0.00000000000000 0.31870056077401 0.16219782170685 15.999 > 26 102 O 0.50000000000000 0.31870056077401 0.16219782170685 15.999 > 26 103 O 0.00000000000000 0.81870056077401 0.16219782170685 15.999 > 26 104 O 0.50000000000000 0.81870056077401 0.16219782170685 15.999 > 26 105 O 0.33333333333333 0.16666666666667 0.47313606546059 15.999 > 27 106 O 0.83333333333333 0.16666666666667 0.47313606546059 15.999 > 27 107 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 > 27 108 O 0.83333333333333 0.66666666666667 0.47313606546059 15.999 > 27 109 O 0.33333333333333 0.16666666666667 0.97313606546059 15.999 > 28 110 O 0.83333333333333 0.16666666666667 0.97313606546059 15.999 > 28 111 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 > 28 112 O 0.83333333333333 0.66666666666667 0.97313606546059 15.999 > 28 113 O 0.00000000000000 0.18129943922599 0.66219782170685 15.999 > 29 114 O 0.50000000000000 0.18129943922599 0.66219782170685 15.999 > 29 115 O 0.00000000000000 0.68129943922599 0.66219782170685 15.999 > 29 116 O 0.50000000000000 0.68129943922599 0.66219782170685 15.999 > 29 117 O 0.00000000000000 0.15228516701097 0.32909863022865 15.999 > 30 118 O 0.50000000000000 0.15228516701097 0.32909863022865 15.999 > 30 119 O 0.00000000000000 0.65228516701097 0.32909863022865 15.999 > 30 120 O 0.50000000000000 0.65228516701097 0.32909863022865 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5610339 -0.0000000 0.0000000 0.0000000 4.5610339 0.0000000 0.0000000 0.0000000 4.5140104 -------------------------- Born effective charges -------------------------- 1 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 2 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 3 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 4 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 5 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 6 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 7 Ga 2.8147801 0.0000000 -0.1684749 -0.0000000 2.8230679 -0.0000000 -0.0788558 0.0000000 3.6354488 8 Ga 2.8147801 0.0000000 0.1684749 -0.0000000 2.8230679 -0.0000000 0.0788558 -0.0000000 3.6354488 9 Ga 2.8209960 -0.0035887 0.0842375 -0.0035887 2.8168521 0.1459036 0.0394279 0.0682911 3.6354488 10 Ga 2.8209960 -0.0035887 -0.0842375 -0.0035887 2.8168521 -0.1459036 -0.0394279 -0.0682911 3.6354488 11 Ga 2.8209960 0.0035887 -0.0842375 0.0035887 2.8168521 0.1459036 -0.0394279 0.0682911 3.6354488 12 Ga 2.8209960 0.0035887 0.0842375 0.0035887 2.8168521 -0.1459036 0.0394279 -0.0682911 3.6354488 13 O -2.3955763 0.0000000 -0.2155419 -0.0000000 -2.4038613 -0.0000000 -0.1349290 0.0000000 -2.3003552 14 O -2.2564235 -0.0000000 -0.1976607 -0.0000000 -2.3095389 -0.0000000 -0.1061300 0.0000000 -2.4370883 15 O -2.2564235 -0.0000000 0.1976607 -0.0000000 -2.3095389 -0.0000000 0.1061300 -0.0000000 -2.4370883 16 O -2.3955763 0.0000000 0.2155419 -0.0000000 -2.4038613 -0.0000000 0.1349290 -0.0000000 -2.3003552 17 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 18 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 19 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 20 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 21 O -2.4017900 0.0035875 0.1077710 0.0035875 -2.3976476 0.1866648 0.0674645 0.1168520 -2.3003552 22 O -2.2962600 0.0229996 0.0988303 0.0229996 -2.2697024 0.1711792 0.0530650 0.0919113 -2.4370883 23 O -2.4017900 -0.0035875 -0.1077710 -0.0035875 -2.3976476 0.1866648 -0.0674645 0.1168520 -2.3003552 24 O -2.2962600 0.0229996 -0.0988303 0.0229996 -2.2697024 -0.1711792 -0.0530650 -0.0919113 -2.4370883 25 O -2.4017900 0.0035875 -0.1077710 0.0035875 -2.3976476 -0.1866648 -0.0674645 -0.1168520 -2.3003552 26 O -2.2962600 -0.0229996 -0.0988303 -0.0229996 -2.2697024 0.1711792 -0.0530650 0.0919113 -2.4370883 27 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 28 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 29 O -2.2962600 -0.0229996 0.0988303 -0.0229996 -2.2697024 -0.1711792 0.0530650 -0.0919113 -2.4370883 30 O -2.4017900 -0.0035875 0.1077710 -0.0035875 -2.3976476 -0.1866648 0.0674645 -0.1168520 -2.3003552 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 906 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 320 - Time: 1.996 Solver_block: 200 / 320 - Time: 2.007 Solver_block: 300 / 320 - Time: 2.007 Solver_block: 320 / 320 - Time: 0.473 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.520 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 906 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:25:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:25:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.723993326640066 0.000000000000000 0.000000000000000 b -2.861996663320033 4.957123631962896 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): 1 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 2 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 3 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 4 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 5 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 6 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 7 Ga 0.33400146744619 0.00000000000000 0.49694982300930 69.723 8 Ga 0.66599853255381 0.00000000000000 0.99694982300930 69.723 9 Ga 0.66599853255381 0.66599853255381 0.49694982300930 69.723 10 Ga 0.33400146744619 0.33400146744619 0.99694982300930 69.723 11 Ga 0.00000000000000 0.66599853255381 0.99694982300930 69.723 12 Ga 0.00000000000000 0.33400146744619 0.49694982300930 69.723 13 O 0.30457033402194 0.00000000000000 0.32909863022865 15.999 14 O 0.36259887845197 0.00000000000000 0.66219782170685 15.999 15 O 0.63740112154803 0.00000000000000 0.16219782170685 15.999 16 O 0.69542966597806 0.00000000000000 0.82909863022865 15.999 17 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 18 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 19 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 20 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 21 O 0.69542966597806 0.69542966597806 0.32909863022865 15.999 22 O 0.63740112154803 0.63740112154803 0.66219782170685 15.999 23 O 0.00000000000000 0.69542966597806 0.82909863022865 15.999 24 O 0.36259887845197 0.36259887845197 0.16219782170685 15.999 25 O 0.30457033402194 0.30457033402194 0.82909863022865 15.999 26 O 0.00000000000000 0.63740112154803 0.16219782170685 15.999 27 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 28 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 29 O 0.00000000000000 0.36259887845197 0.66219782170685 15.999 30 O 0.00000000000000 0.30457033402194 0.32909863022865 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.447986653280132 0.000000000000000 0.000000000000000 b -5.723993326640066 9.914247263925793 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): 1 Sc 0.16666666666667 0.33333333333333 0.76325419710074 44.956 > 1 2 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 > 1 3 Sc 0.16666666666667 0.83333333333333 0.76325419710074 44.956 > 1 4 Sc 0.66666666666667 0.83333333333333 0.76325419710074 44.956 > 1 5 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 > 5 6 Sc 0.50000000000000 0.00000000000000 0.72336014480605 44.956 > 5 7 Sc 0.00000000000000 0.50000000000000 0.72336014480605 44.956 > 5 8 Sc 0.50000000000000 0.50000000000000 0.72336014480605 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.22336014480605 44.956 > 9 11 Sc 0.00000000000000 0.50000000000000 0.22336014480605 44.956 > 9 12 Sc 0.50000000000000 0.50000000000000 0.22336014480605 44.956 > 9 13 Sc 0.16666666666667 0.33333333333333 0.26325419710074 44.956 > 13 14 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 > 13 15 Sc 0.16666666666667 0.83333333333333 0.26325419710074 44.956 > 13 16 Sc 0.66666666666667 0.83333333333333 0.26325419710074 44.956 > 13 17 Sc 0.33333333333333 0.16666666666667 0.26325419710074 44.956 > 17 18 Sc 0.83333333333333 0.16666666666667 0.26325419710074 44.956 > 17 19 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 > 17 20 Sc 0.83333333333333 0.66666666666667 0.26325419710074 44.956 > 17 21 Sc 0.33333333333333 0.16666666666667 0.76325419710074 44.956 > 21 22 Sc 0.83333333333333 0.16666666666667 0.76325419710074 44.956 > 21 23 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 > 21 24 Sc 0.83333333333333 0.66666666666667 0.76325419710074 44.956 > 21 25 Ga 0.16700073372310 0.00000000000000 0.49694982300930 69.723 > 25 26 Ga 0.66700073372310 0.00000000000000 0.49694982300930 69.723 > 25 27 Ga 0.16700073372310 0.50000000000000 0.49694982300930 69.723 > 25 28 Ga 0.66700073372310 0.50000000000000 0.49694982300930 69.723 > 25 29 Ga 0.33299926627690 0.00000000000000 0.99694982300930 69.723 > 29 30 Ga 0.83299926627690 0.00000000000000 0.99694982300930 69.723 > 29 31 Ga 0.33299926627690 0.50000000000000 0.99694982300930 69.723 > 29 32 Ga 0.83299926627690 0.50000000000000 0.99694982300930 69.723 > 29 33 Ga 0.33299926627690 0.33299926627690 0.49694982300930 69.723 > 33 34 Ga 0.83299926627690 0.33299926627690 0.49694982300930 69.723 > 33 35 Ga 0.33299926627690 0.83299926627690 0.49694982300930 69.723 > 33 36 Ga 0.83299926627690 0.83299926627690 0.49694982300930 69.723 > 33 37 Ga 0.16700073372310 0.16700073372310 0.99694982300930 69.723 > 37 38 Ga 0.66700073372310 0.16700073372310 0.99694982300930 69.723 > 37 39 Ga 0.16700073372310 0.66700073372310 0.99694982300930 69.723 > 37 40 Ga 0.66700073372310 0.66700073372310 0.99694982300930 69.723 > 37 41 Ga 0.00000000000000 0.33299926627690 0.99694982300930 69.723 > 41 42 Ga 0.50000000000000 0.33299926627690 0.99694982300930 69.723 > 41 43 Ga 0.00000000000000 0.83299926627690 0.99694982300930 69.723 > 41 44 Ga 0.50000000000000 0.83299926627690 0.99694982300930 69.723 > 41 45 Ga 0.00000000000000 0.16700073372310 0.49694982300930 69.723 > 45 46 Ga 0.50000000000000 0.16700073372310 0.49694982300930 69.723 > 45 47 Ga 0.00000000000000 0.66700073372310 0.49694982300930 69.723 > 45 48 Ga 0.50000000000000 0.66700073372310 0.49694982300930 69.723 > 45 49 O 0.15228516701097 0.00000000000000 0.32909863022865 15.999 > 49 50 O 0.65228516701097 0.00000000000000 0.32909863022865 15.999 > 49 51 O 0.15228516701097 0.50000000000000 0.32909863022865 15.999 > 49 52 O 0.65228516701097 0.50000000000000 0.32909863022865 15.999 > 49 53 O 0.18129943922599 0.00000000000000 0.66219782170685 15.999 > 53 54 O 0.68129943922599 0.00000000000000 0.66219782170685 15.999 > 53 55 O 0.18129943922599 0.50000000000000 0.66219782170685 15.999 > 53 56 O 0.68129943922599 0.50000000000000 0.66219782170685 15.999 > 53 57 O 0.31870056077401 0.00000000000000 0.16219782170685 15.999 > 57 58 O 0.81870056077401 0.00000000000000 0.16219782170685 15.999 > 57 59 O 0.31870056077401 0.50000000000000 0.16219782170685 15.999 > 57 60 O 0.81870056077401 0.50000000000000 0.16219782170685 15.999 > 57 61 O 0.34771483298903 0.00000000000000 0.82909863022865 15.999 > 61 62 O 0.84771483298903 0.00000000000000 0.82909863022865 15.999 > 61 63 O 0.34771483298903 0.50000000000000 0.82909863022865 15.999 > 61 64 O 0.84771483298903 0.50000000000000 0.82909863022865 15.999 > 61 65 O 0.16666666666667 0.33333333333333 0.97313606546059 15.999 > 65 66 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 > 65 67 O 0.16666666666667 0.83333333333333 0.97313606546059 15.999 > 65 68 O 0.66666666666667 0.83333333333333 0.97313606546059 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52430828523696 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52430828523696 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52430828523696 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02430828523696 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02430828523696 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02430828523696 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.47313606546059 15.999 > 77 78 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 > 77 79 O 0.16666666666667 0.83333333333333 0.47313606546059 15.999 > 77 80 O 0.66666666666667 0.83333333333333 0.47313606546059 15.999 > 77 81 O 0.34771483298903 0.34771483298903 0.32909863022865 15.999 > 81 82 O 0.84771483298903 0.34771483298903 0.32909863022865 15.999 > 81 83 O 0.34771483298903 0.84771483298903 0.32909863022865 15.999 > 81 84 O 0.84771483298903 0.84771483298903 0.32909863022865 15.999 > 81 85 O 0.31870056077401 0.31870056077401 0.66219782170685 15.999 > 85 86 O 0.81870056077401 0.31870056077401 0.66219782170685 15.999 > 85 87 O 0.31870056077401 0.81870056077401 0.66219782170685 15.999 > 85 88 O 0.81870056077401 0.81870056077401 0.66219782170685 15.999 > 85 89 O 0.00000000000000 0.34771483298903 0.82909863022865 15.999 > 89 90 O 0.50000000000000 0.34771483298903 0.82909863022865 15.999 > 89 91 O 0.00000000000000 0.84771483298903 0.82909863022865 15.999 > 89 92 O 0.50000000000000 0.84771483298903 0.82909863022865 15.999 > 89 93 O 0.18129943922599 0.18129943922599 0.16219782170685 15.999 > 93 94 O 0.68129943922599 0.18129943922599 0.16219782170685 15.999 > 93 95 O 0.18129943922599 0.68129943922599 0.16219782170685 15.999 > 93 96 O 0.68129943922599 0.68129943922599 0.16219782170685 15.999 > 93 97 O 0.15228516701097 0.15228516701097 0.82909863022865 15.999 > 97 98 O 0.65228516701097 0.15228516701097 0.82909863022865 15.999 > 97 99 O 0.15228516701097 0.65228516701097 0.82909863022865 15.999 > 97 100 O 0.65228516701097 0.65228516701097 0.82909863022865 15.999 > 97 101 O 0.00000000000000 0.31870056077401 0.16219782170685 15.999 > 101 102 O 0.50000000000000 0.31870056077401 0.16219782170685 15.999 > 101 103 O 0.00000000000000 0.81870056077401 0.16219782170685 15.999 > 101 104 O 0.50000000000000 0.81870056077401 0.16219782170685 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.47313606546059 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.47313606546059 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.47313606546059 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.97313606546059 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.97313606546059 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.97313606546059 15.999 > 109 113 O 0.00000000000000 0.18129943922599 0.66219782170685 15.999 > 113 114 O 0.50000000000000 0.18129943922599 0.66219782170685 15.999 > 113 115 O 0.00000000000000 0.68129943922599 0.66219782170685 15.999 > 113 116 O 0.50000000000000 0.68129943922599 0.66219782170685 15.999 > 113 117 O 0.00000000000000 0.15228516701097 0.32909863022865 15.999 > 117 118 O 0.50000000000000 0.15228516701097 0.32909863022865 15.999 > 117 119 O 0.00000000000000 0.65228516701097 0.32909863022865 15.999 > 117 120 O 0.50000000000000 0.65228516701097 0.32909863022865 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5610339 -0.0000000 0.0000000 0.0000000 4.5610339 0.0000000 0.0000000 0.0000000 4.5140104 -------------------------- Born effective charges -------------------------- 1 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 2 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 3 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 4 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 5 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 6 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 7 Ga 2.8147801 0.0000000 -0.1684749 -0.0000000 2.8230679 -0.0000000 -0.0788558 0.0000000 3.6354488 8 Ga 2.8147801 0.0000000 0.1684749 -0.0000000 2.8230679 -0.0000000 0.0788558 -0.0000000 3.6354488 9 Ga 2.8209960 -0.0035887 0.0842375 -0.0035887 2.8168521 0.1459036 0.0394279 0.0682911 3.6354488 10 Ga 2.8209960 -0.0035887 -0.0842375 -0.0035887 2.8168521 -0.1459036 -0.0394279 -0.0682911 3.6354488 11 Ga 2.8209960 0.0035887 -0.0842375 0.0035887 2.8168521 0.1459036 -0.0394279 0.0682911 3.6354488 12 Ga 2.8209960 0.0035887 0.0842375 0.0035887 2.8168521 -0.1459036 0.0394279 -0.0682911 3.6354488 13 O -2.3955763 0.0000000 -0.2155419 -0.0000000 -2.4038613 -0.0000000 -0.1349290 0.0000000 -2.3003552 14 O -2.2564235 -0.0000000 -0.1976607 -0.0000000 -2.3095389 -0.0000000 -0.1061300 0.0000000 -2.4370883 15 O -2.2564235 -0.0000000 0.1976607 -0.0000000 -2.3095389 -0.0000000 0.1061300 -0.0000000 -2.4370883 16 O -2.3955763 0.0000000 0.2155419 -0.0000000 -2.4038613 -0.0000000 0.1349290 -0.0000000 -2.3003552 17 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 18 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 19 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 20 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 21 O -2.4017900 0.0035875 0.1077710 0.0035875 -2.3976476 0.1866648 0.0674645 0.1168520 -2.3003552 22 O -2.2962600 0.0229996 0.0988303 0.0229996 -2.2697024 0.1711792 0.0530650 0.0919113 -2.4370883 23 O -2.4017900 -0.0035875 -0.1077710 -0.0035875 -2.3976476 0.1866648 -0.0674645 0.1168520 -2.3003552 24 O -2.2962600 0.0229996 -0.0988303 0.0229996 -2.2697024 -0.1711792 -0.0530650 -0.0919113 -2.4370883 25 O -2.4017900 0.0035875 -0.1077710 0.0035875 -2.3976476 -0.1866648 -0.0674645 -0.1168520 -2.3003552 26 O -2.2962600 -0.0229996 -0.0988303 -0.0229996 -2.2697024 0.1711792 -0.0530650 0.0919113 -2.4370883 27 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 28 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 29 O -2.2962600 -0.0229996 0.0988303 -0.0229996 -2.2697024 -0.1711792 0.0530650 -0.0919113 -2.4370883 30 O -2.4017900 -0.0035875 0.1077710 -0.0035875 -2.3976476 -0.1866648 0.0674645 -0.1168520 -2.3003552 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (yx) -0.00000006 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:25:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:25:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.723993326640066 0.000000000000000 0.000000000000000 b -2.861996663320033 4.957123631962896 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): 1 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 2 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 3 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 4 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 5 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 6 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 7 Ga 0.33400146744619 0.00000000000000 0.49694982300930 69.723 8 Ga 0.66599853255381 0.00000000000000 0.99694982300930 69.723 9 Ga 0.66599853255381 0.66599853255381 0.49694982300930 69.723 10 Ga 0.33400146744619 0.33400146744619 0.99694982300930 69.723 11 Ga 0.00000000000000 0.66599853255381 0.99694982300930 69.723 12 Ga 0.00000000000000 0.33400146744619 0.49694982300930 69.723 13 O 0.30457033402194 0.00000000000000 0.32909863022865 15.999 14 O 0.36259887845197 0.00000000000000 0.66219782170685 15.999 15 O 0.63740112154803 0.00000000000000 0.16219782170685 15.999 16 O 0.69542966597806 0.00000000000000 0.82909863022865 15.999 17 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 18 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 19 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 20 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 21 O 0.69542966597806 0.69542966597806 0.32909863022865 15.999 22 O 0.63740112154803 0.63740112154803 0.66219782170685 15.999 23 O 0.00000000000000 0.69542966597806 0.82909863022865 15.999 24 O 0.36259887845197 0.36259887845197 0.16219782170685 15.999 25 O 0.30457033402194 0.30457033402194 0.82909863022865 15.999 26 O 0.00000000000000 0.63740112154803 0.16219782170685 15.999 27 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 28 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 29 O 0.00000000000000 0.36259887845197 0.66219782170685 15.999 30 O 0.00000000000000 0.30457033402194 0.32909863022865 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.447986653280132 0.000000000000000 0.000000000000000 b -5.723993326640066 9.914247263925793 0.000000000000000 c 0.000000000000000 0.000000000000000 11.480236530000001 Atomic positions (fractional): 1 Sc 0.16666666666667 0.33333333333333 0.76325419710074 44.956 > 1 2 Sc 0.66666666666667 0.33333333333333 0.76325419710074 44.956 > 1 3 Sc 0.16666666666667 0.83333333333333 0.76325419710074 44.956 > 1 4 Sc 0.66666666666667 0.83333333333333 0.76325419710074 44.956 > 1 5 Sc 0.00000000000000 0.00000000000000 0.72336014480605 44.956 > 5 6 Sc 0.50000000000000 0.00000000000000 0.72336014480605 44.956 > 5 7 Sc 0.00000000000000 0.50000000000000 0.72336014480605 44.956 > 5 8 Sc 0.50000000000000 0.50000000000000 0.72336014480605 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.22336014480605 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.22336014480605 44.956 > 9 11 Sc 0.00000000000000 0.50000000000000 0.22336014480605 44.956 > 9 12 Sc 0.50000000000000 0.50000000000000 0.22336014480605 44.956 > 9 13 Sc 0.16666666666667 0.33333333333333 0.26325419710074 44.956 > 13 14 Sc 0.66666666666667 0.33333333333333 0.26325419710074 44.956 > 13 15 Sc 0.16666666666667 0.83333333333333 0.26325419710074 44.956 > 13 16 Sc 0.66666666666667 0.83333333333333 0.26325419710074 44.956 > 13 17 Sc 0.33333333333333 0.16666666666667 0.26325419710074 44.956 > 17 18 Sc 0.83333333333333 0.16666666666667 0.26325419710074 44.956 > 17 19 Sc 0.33333333333333 0.66666666666667 0.26325419710074 44.956 > 17 20 Sc 0.83333333333333 0.66666666666667 0.26325419710074 44.956 > 17 21 Sc 0.33333333333333 0.16666666666667 0.76325419710074 44.956 > 21 22 Sc 0.83333333333333 0.16666666666667 0.76325419710074 44.956 > 21 23 Sc 0.33333333333333 0.66666666666667 0.76325419710074 44.956 > 21 24 Sc 0.83333333333333 0.66666666666667 0.76325419710074 44.956 > 21 25 Ga 0.16700073372310 0.00000000000000 0.49694982300930 69.723 > 25 26 Ga 0.66700073372310 0.00000000000000 0.49694982300930 69.723 > 25 27 Ga 0.16700073372310 0.50000000000000 0.49694982300930 69.723 > 25 28 Ga 0.66700073372310 0.50000000000000 0.49694982300930 69.723 > 25 29 Ga 0.33299926627690 0.00000000000000 0.99694982300930 69.723 > 29 30 Ga 0.83299926627690 0.00000000000000 0.99694982300930 69.723 > 29 31 Ga 0.33299926627690 0.50000000000000 0.99694982300930 69.723 > 29 32 Ga 0.83299926627690 0.50000000000000 0.99694982300930 69.723 > 29 33 Ga 0.33299926627690 0.33299926627690 0.49694982300930 69.723 > 33 34 Ga 0.83299926627690 0.33299926627690 0.49694982300930 69.723 > 33 35 Ga 0.33299926627690 0.83299926627690 0.49694982300930 69.723 > 33 36 Ga 0.83299926627690 0.83299926627690 0.49694982300930 69.723 > 33 37 Ga 0.16700073372310 0.16700073372310 0.99694982300930 69.723 > 37 38 Ga 0.66700073372310 0.16700073372310 0.99694982300930 69.723 > 37 39 Ga 0.16700073372310 0.66700073372310 0.99694982300930 69.723 > 37 40 Ga 0.66700073372310 0.66700073372310 0.99694982300930 69.723 > 37 41 Ga 0.00000000000000 0.33299926627690 0.99694982300930 69.723 > 41 42 Ga 0.50000000000000 0.33299926627690 0.99694982300930 69.723 > 41 43 Ga 0.00000000000000 0.83299926627690 0.99694982300930 69.723 > 41 44 Ga 0.50000000000000 0.83299926627690 0.99694982300930 69.723 > 41 45 Ga 0.00000000000000 0.16700073372310 0.49694982300930 69.723 > 45 46 Ga 0.50000000000000 0.16700073372310 0.49694982300930 69.723 > 45 47 Ga 0.00000000000000 0.66700073372310 0.49694982300930 69.723 > 45 48 Ga 0.50000000000000 0.66700073372310 0.49694982300930 69.723 > 45 49 O 0.15228516701097 0.00000000000000 0.32909863022865 15.999 > 49 50 O 0.65228516701097 0.00000000000000 0.32909863022865 15.999 > 49 51 O 0.15228516701097 0.50000000000000 0.32909863022865 15.999 > 49 52 O 0.65228516701097 0.50000000000000 0.32909863022865 15.999 > 49 53 O 0.18129943922599 0.00000000000000 0.66219782170685 15.999 > 53 54 O 0.68129943922599 0.00000000000000 0.66219782170685 15.999 > 53 55 O 0.18129943922599 0.50000000000000 0.66219782170685 15.999 > 53 56 O 0.68129943922599 0.50000000000000 0.66219782170685 15.999 > 53 57 O 0.31870056077401 0.00000000000000 0.16219782170685 15.999 > 57 58 O 0.81870056077401 0.00000000000000 0.16219782170685 15.999 > 57 59 O 0.31870056077401 0.50000000000000 0.16219782170685 15.999 > 57 60 O 0.81870056077401 0.50000000000000 0.16219782170685 15.999 > 57 61 O 0.34771483298903 0.00000000000000 0.82909863022865 15.999 > 61 62 O 0.84771483298903 0.00000000000000 0.82909863022865 15.999 > 61 63 O 0.34771483298903 0.50000000000000 0.82909863022865 15.999 > 61 64 O 0.84771483298903 0.50000000000000 0.82909863022865 15.999 > 61 65 O 0.16666666666667 0.33333333333333 0.97313606546059 15.999 > 65 66 O 0.66666666666667 0.33333333333333 0.97313606546059 15.999 > 65 67 O 0.16666666666667 0.83333333333333 0.97313606546059 15.999 > 65 68 O 0.66666666666667 0.83333333333333 0.97313606546059 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52430828523696 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52430828523696 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52430828523696 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52430828523696 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02430828523696 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02430828523696 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02430828523696 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02430828523696 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.47313606546059 15.999 > 77 78 O 0.66666666666667 0.33333333333333 0.47313606546059 15.999 > 77 79 O 0.16666666666667 0.83333333333333 0.47313606546059 15.999 > 77 80 O 0.66666666666667 0.83333333333333 0.47313606546059 15.999 > 77 81 O 0.34771483298903 0.34771483298903 0.32909863022865 15.999 > 81 82 O 0.84771483298903 0.34771483298903 0.32909863022865 15.999 > 81 83 O 0.34771483298903 0.84771483298903 0.32909863022865 15.999 > 81 84 O 0.84771483298903 0.84771483298903 0.32909863022865 15.999 > 81 85 O 0.31870056077401 0.31870056077401 0.66219782170685 15.999 > 85 86 O 0.81870056077401 0.31870056077401 0.66219782170685 15.999 > 85 87 O 0.31870056077401 0.81870056077401 0.66219782170685 15.999 > 85 88 O 0.81870056077401 0.81870056077401 0.66219782170685 15.999 > 85 89 O 0.00000000000000 0.34771483298903 0.82909863022865 15.999 > 89 90 O 0.50000000000000 0.34771483298903 0.82909863022865 15.999 > 89 91 O 0.00000000000000 0.84771483298903 0.82909863022865 15.999 > 89 92 O 0.50000000000000 0.84771483298903 0.82909863022865 15.999 > 89 93 O 0.18129943922599 0.18129943922599 0.16219782170685 15.999 > 93 94 O 0.68129943922599 0.18129943922599 0.16219782170685 15.999 > 93 95 O 0.18129943922599 0.68129943922599 0.16219782170685 15.999 > 93 96 O 0.68129943922599 0.68129943922599 0.16219782170685 15.999 > 93 97 O 0.15228516701097 0.15228516701097 0.82909863022865 15.999 > 97 98 O 0.65228516701097 0.15228516701097 0.82909863022865 15.999 > 97 99 O 0.15228516701097 0.65228516701097 0.82909863022865 15.999 > 97 100 O 0.65228516701097 0.65228516701097 0.82909863022865 15.999 > 97 101 O 0.00000000000000 0.31870056077401 0.16219782170685 15.999 > 101 102 O 0.50000000000000 0.31870056077401 0.16219782170685 15.999 > 101 103 O 0.00000000000000 0.81870056077401 0.16219782170685 15.999 > 101 104 O 0.50000000000000 0.81870056077401 0.16219782170685 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.47313606546059 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.47313606546059 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.47313606546059 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.47313606546059 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.97313606546059 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.97313606546059 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.97313606546059 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.97313606546059 15.999 > 109 113 O 0.00000000000000 0.18129943922599 0.66219782170685 15.999 > 113 114 O 0.50000000000000 0.18129943922599 0.66219782170685 15.999 > 113 115 O 0.00000000000000 0.68129943922599 0.66219782170685 15.999 > 113 116 O 0.50000000000000 0.68129943922599 0.66219782170685 15.999 > 113 117 O 0.00000000000000 0.15228516701097 0.32909863022865 15.999 > 117 118 O 0.50000000000000 0.15228516701097 0.32909863022865 15.999 > 117 119 O 0.00000000000000 0.65228516701097 0.32909863022865 15.999 > 117 120 O 0.50000000000000 0.65228516701097 0.32909863022865 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5610339 -0.0000000 0.0000000 0.0000000 4.5610339 0.0000000 0.0000000 0.0000000 4.5140104 -------------------------- Born effective charges -------------------------- 1 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 2 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 3 Sc 3.9845360 -0.0000000 -0.0000000 -0.0000000 3.9845360 -0.0000000 -0.0000000 0.0000000 3.2063512 4 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 5 Sc 4.0709151 -0.1178260 -0.0000000 0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 6 Sc 4.0709151 0.1178260 -0.0000000 -0.1178260 4.0709151 -0.0000000 -0.0000000 0.0000000 3.1310229 7 Ga 2.8147801 0.0000000 -0.1684749 -0.0000000 2.8230679 -0.0000000 -0.0788558 0.0000000 3.6354488 8 Ga 2.8147801 0.0000000 0.1684749 -0.0000000 2.8230679 -0.0000000 0.0788558 -0.0000000 3.6354488 9 Ga 2.8209960 -0.0035887 0.0842375 -0.0035887 2.8168521 0.1459036 0.0394279 0.0682911 3.6354488 10 Ga 2.8209960 -0.0035887 -0.0842375 -0.0035887 2.8168521 -0.1459036 -0.0394279 -0.0682911 3.6354488 11 Ga 2.8209960 0.0035887 -0.0842375 0.0035887 2.8168521 0.1459036 -0.0394279 0.0682911 3.6354488 12 Ga 2.8209960 0.0035887 0.0842375 0.0035887 2.8168521 -0.1459036 0.0394279 -0.0682911 3.6354488 13 O -2.3955763 0.0000000 -0.2155419 -0.0000000 -2.4038613 -0.0000000 -0.1349290 0.0000000 -2.3003552 14 O -2.2564235 -0.0000000 -0.1976607 -0.0000000 -2.3095389 -0.0000000 -0.1061300 0.0000000 -2.4370883 15 O -2.2564235 -0.0000000 0.1976607 -0.0000000 -2.3095389 -0.0000000 0.1061300 -0.0000000 -2.4370883 16 O -2.3955763 0.0000000 0.2155419 -0.0000000 -2.4038613 -0.0000000 0.1349290 -0.0000000 -2.3003552 17 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 18 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 19 O -2.1666994 0.0000000 -0.0000000 -0.0000000 -2.1666994 -0.0000000 -0.0000000 0.0000000 -2.1051078 20 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 21 O -2.4017900 0.0035875 0.1077710 0.0035875 -2.3976476 0.1866648 0.0674645 0.1168520 -2.3003552 22 O -2.2962600 0.0229996 0.0988303 0.0229996 -2.2697024 0.1711792 0.0530650 0.0919113 -2.4370883 23 O -2.4017900 -0.0035875 -0.1077710 -0.0035875 -2.3976476 0.1866648 -0.0674645 0.1168520 -2.3003552 24 O -2.2962600 0.0229996 -0.0988303 0.0229996 -2.2697024 -0.1711792 -0.0530650 -0.0919113 -2.4370883 25 O -2.4017900 0.0035875 -0.1077710 0.0035875 -2.3976476 -0.1866648 -0.0674645 -0.1168520 -2.3003552 26 O -2.2962600 -0.0229996 -0.0988303 -0.0229996 -2.2697024 0.1711792 -0.0530650 0.0919113 -2.4370883 27 O -2.1841694 0.0095426 -0.0000000 -0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 28 O -2.1841694 -0.0095426 -0.0000000 0.0095426 -2.1841694 -0.0000000 -0.0000000 0.0000000 -2.0286526 29 O -2.2962600 -0.0229996 0.0988303 -0.0229996 -2.2697024 -0.1711792 0.0530650 -0.0919113 -2.4370883 30 O -2.4017900 -0.0035875 0.1077710 -0.0035875 -2.3976476 -0.1866648 0.0674645 -0.1168520 -2.3003552 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 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 3.298 ( 0.000 -0.000 -0.000) 0.000 3.298 ( 0.000 -0.000 -0.000) 0.000 3.840 ( -0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 -0.000) 0.000 4.721 ( 0.000 -0.000 0.000) 0.000 4.977 ( 0.000 0.000 -0.000) 0.000 5.254 ( 0.000 -0.000 -0.000) 0.000 5.591 ( 0.000 0.000 -0.000) 0.000 5.849 ( 0.000 0.000 -0.000) 0.000 5.849 ( 0.000 -0.000 0.000) 0.000 6.039 ( 0.000 -0.000 0.000) 0.000 6.039 ( -0.000 -0.000 0.000) 0.000 6.058 ( -0.000 -0.000 0.000) 0.000 6.107 ( -0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.108 ( -0.000 0.000 -0.000) 0.000 6.108 ( 0.000 0.000 -0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.876 ( -0.000 0.000 -0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 -0.000 0.000) 0.000 8.343 ( 0.000 -0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.533 ( -0.000 0.000 0.000) 0.000 8.868 ( -0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.932 ( -0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.018 ( -0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 -0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 -0.000 0.000) 0.000 9.794 ( 0.000 -0.000 -0.000) 0.000 9.794 ( 0.000 -0.000 -0.000) 0.000 10.036 ( 0.000 0.000 -0.000) 0.000 10.036 ( 0.000 -0.000 -0.000) 0.000 10.091 ( -0.000 -0.000 -0.000) 0.000 10.091 ( 0.000 -0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 -0.000) 0.000 10.502 ( -0.000 -0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 -0.000) 0.000 11.336 ( -0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 -0.000) 0.000 11.533 ( 0.000 -0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.919 ( -0.000 -0.000 -0.000) 0.000 11.919 ( 0.000 0.000 -0.000) 0.000 12.351 ( 0.000 -0.000 0.000) 0.000 12.351 ( -0.000 -0.000 -0.000) 0.000 12.438 ( -0.000 0.000 0.000) 0.000 12.438 ( -0.000 0.000 0.000) 0.000 12.759 ( 0.000 -0.000 0.000) 0.000 13.005 ( -0.000 0.000 0.000) 0.000 13.005 ( -0.000 0.000 -0.000) 0.000 13.118 ( 0.000 -0.000 -0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 -0.000 0.000) 0.000 14.903 ( -0.000 0.000 0.000) 0.000 15.495 ( -0.000 0.000 -0.000) 0.000 15.495 ( 0.000 -0.000 -0.000) 0.000 15.539 ( 0.000 -0.000 -0.000) 0.000 15.725 ( 0.000 0.000 0.000) 0.000 15.725 ( 0.000 0.000 -0.000) 0.000 15.847 ( 0.000 0.000 -0.000) 0.000 15.913 ( 0.000 -0.000 -0.000) 0.000 17.019 ( 0.000 0.000 -0.000) 0.000 17.019 ( 0.000 0.000 -0.000) 0.000 17.180 ( 0.000 0.000 -0.000) 0.000 17.180 ( 0.000 -0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 17.833 ( -0.000 0.000 0.000) 0.000 17.874 ( 0.000 -0.000 -0.000) 0.000 17.951 ( 0.000 0.000 -0.000) 0.000 17.951 ( 0.000 0.000 -0.000) 0.000 19.427 ( 0.000 0.000 0.000) 0.000 19.427 ( 0.000 -0.000 -0.000) 0.000 19.461 ( -0.000 -0.000 -0.000) 0.000 19.461 ( 0.000 -0.000 0.000) 0.000 19.514 ( 0.000 0.000 0.000) 0.000 20.221 ( 0.000 0.000 -0.000) 0.000 20.873 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 34.024 19.644 0.000) 39.287 0.947 ( 40.254 23.241 0.000) 46.481 1.498 ( 63.254 36.520 0.000) 73.040 3.358 ( 5.125 2.959 0.000) 5.918 3.453 ( 12.481 7.206 0.000) 14.411 3.936 ( 8.087 4.669 0.000) 9.338 3.942 ( 8.054 4.650 0.000) 9.300 4.767 ( 3.992 2.305 0.000) 4.610 4.943 ( 16.334 9.430 0.000) 18.861 4.974 ( -0.329 -0.190 0.000) 0.380 5.257 ( 0.102 0.059 0.000) 0.118 5.531 ( -5.251 -3.032 0.000) 6.064 5.843 ( -6.802 -3.927 0.000) 7.855 5.854 ( -14.538 -8.393 0.000) 16.787 5.861 ( -1.856 -1.071 0.000) 2.143 5.879 ( -7.591 -4.383 0.000) 8.766 5.901 ( -9.526 -5.500 0.000) 11.000 5.993 ( -6.637 -3.832 0.000) 7.664 6.048 ( -5.858 -3.382 0.000) 6.765 6.085 ( -2.365 -1.366 0.000) 2.731 6.257 ( 15.934 9.200 0.000) 18.400 6.558 ( 11.616 6.707 0.000) 13.413 6.919 ( 2.983 1.722 0.000) 3.444 7.296 ( 3.546 2.048 0.000) 4.095 7.740 ( 3.257 1.880 0.000) 3.761 8.348 ( -3.865 -2.231 0.000) 4.463 8.407 ( -5.793 -3.345 0.000) 6.689 8.510 ( -19.266 -11.123 0.000) 22.247 8.513 ( -1.858 -1.072 0.000) 2.145 8.591 ( -14.439 -8.337 0.000) 16.673 8.835 ( -3.831 -2.212 0.000) 4.424 8.871 ( -2.432 -1.404 0.000) 2.809 9.159 ( -11.424 -6.596 0.000) 13.191 9.227 ( 3.700 2.136 0.000) 4.272 9.359 ( -2.113 -1.220 0.000) 2.440 9.498 ( -17.173 -9.915 0.000) 19.829 9.644 ( -4.029 -2.326 0.000) 4.653 9.696 ( -10.081 -5.820 0.000) 11.641 9.740 ( -6.467 -3.734 0.000) 7.467 9.756 ( -1.763 -1.018 0.000) 2.036 9.854 ( 2.682 1.548 0.000) 3.096 10.091 ( 6.044 3.489 0.000) 6.979 10.118 ( 0.759 0.438 0.000) 0.876 10.380 ( -3.745 -2.162 0.000) 4.324 10.455 ( 1.480 0.854 0.000) 1.709 10.845 ( 12.678 7.320 0.000) 14.640 10.969 ( 23.429 13.527 0.000) 27.054 11.176 ( -7.765 -4.483 0.000) 8.966 11.236 ( -6.614 -3.819 0.000) 7.637 11.362 ( -1.758 -1.015 0.000) 2.030 11.492 ( -2.234 -1.290 0.000) 2.580 11.513 ( -2.438 -1.407 0.000) 2.815 11.738 ( -3.034 -1.751 0.000) 3.503 11.911 ( -0.539 -0.311 0.000) 0.623 12.099 ( -3.385 -1.954 0.000) 3.908 12.322 ( -3.224 -1.861 0.000) 3.723 12.380 ( -4.459 -2.574 0.000) 5.148 12.430 ( -0.517 -0.298 0.000) 0.597 12.690 ( -6.507 -3.757 0.000) 7.514 12.782 ( -8.214 -4.742 0.000) 9.485 12.961 ( 4.225 2.439 0.000) 4.878 13.098 ( -2.080 -1.201 0.000) 2.401 13.407 ( 8.667 5.004 0.000) 10.007 13.479 ( 21.764 12.566 0.000) 25.131 14.427 ( -4.437 -2.562 0.000) 5.124 14.560 ( 19.113 11.035 0.000) 22.069 15.018 ( 8.144 4.702 0.000) 9.403 15.440 ( -8.572 -4.949 0.000) 9.898 15.487 ( -6.785 -3.918 0.000) 7.835 15.559 ( 2.426 1.401 0.000) 2.802 15.785 ( 4.501 2.599 0.000) 5.198 15.867 ( 1.510 0.872 0.000) 1.744 16.127 ( 9.326 5.385 0.000) 10.769 16.897 ( -8.629 -4.982 0.000) 9.964 16.927 ( -5.627 -3.249 0.000) 6.497 17.077 ( 0.214 0.124 0.000) 0.247 17.190 ( -0.029 -0.017 0.000) 0.033 17.772 ( -3.961 -2.287 0.000) 4.574 17.834 ( 0.167 0.096 0.000) 0.192 17.870 ( -1.287 -0.743 0.000) 1.486 17.945 ( 0.344 0.199 0.000) 0.397 17.967 ( 1.524 0.880 0.000) 1.759 19.412 ( -0.656 -0.379 0.000) 0.757 19.419 ( -5.480 -3.164 0.000) 6.328 19.438 ( -0.062 -0.036 0.000) 0.072 19.495 ( 2.393 1.381 0.000) 2.763 19.506 ( 3.104 1.792 0.000) 3.584 20.107 ( 2.806 1.620 0.000) 3.240 20.259 ( 2.419 1.396 0.000) 2.793 20.824 ( -4.030 -2.327 0.000) 4.654 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 33.718 19.467 0.000) 38.934 1.851 ( 37.128 21.436 0.000) 42.872 2.918 ( 56.668 32.717 0.000) 65.434 3.549 ( 12.751 7.362 0.000) 14.723 3.818 ( 17.325 10.002 0.000) 20.005 4.178 ( 11.637 6.718 0.000) 13.437 4.202 ( 14.189 8.192 0.000) 16.384 4.900 ( 7.098 4.098 0.000) 8.196 4.935 ( -3.224 -1.861 0.000) 3.722 5.210 ( -8.027 -4.635 0.000) 9.269 5.365 ( -5.660 -3.268 0.000) 6.535 5.395 ( -17.934 -10.354 0.000) 20.708 5.433 ( 15.377 8.878 0.000) 17.756 5.448 ( -19.775 -11.417 0.000) 22.835 5.675 ( -3.704 -2.139 0.000) 4.277 5.708 ( -12.992 -7.501 0.000) 15.002 5.748 ( -9.422 -5.440 0.000) 10.879 5.883 ( -1.277 -0.737 0.000) 1.475 6.043 ( -1.186 -0.685 0.000) 1.370 6.047 ( 5.902 3.407 0.000) 6.815 6.800 ( 29.724 17.161 0.000) 34.322 6.842 ( 11.544 6.665 0.000) 13.330 6.949 ( -1.856 -1.072 0.000) 2.143 7.393 ( 5.037 2.908 0.000) 5.816 7.832 ( -28.018 -16.176 0.000) 32.353 7.845 ( 4.926 2.844 0.000) 5.688 8.040 ( -21.810 -12.592 0.000) 25.185 8.294 ( -21.961 -12.679 0.000) 25.359 8.384 ( -5.017 -2.897 0.000) 5.794 8.484 ( -1.335 -0.771 0.000) 1.542 8.585 ( -15.119 -8.729 0.000) 17.458 8.689 ( -5.889 -3.400 0.000) 6.800 8.840 ( -4.569 -2.638 0.000) 5.275 9.087 ( -15.468 -8.930 0.000) 17.861 9.240 ( 1.809 1.045 0.000) 2.089 9.295 ( -3.182 -1.837 0.000) 3.674 9.593 ( -7.352 -4.245 0.000) 8.489 9.623 ( 0.352 0.203 0.000) 0.407 9.687 ( 2.340 1.351 0.000) 2.702 9.742 ( -0.303 -0.175 0.000) 0.349 9.987 ( 5.601 3.234 0.000) 6.468 10.147 ( 1.402 0.810 0.000) 1.619 10.256 ( 7.124 4.113 0.000) 8.226 10.301 ( -1.479 -0.854 0.000) 1.708 10.500 ( 2.547 1.471 0.000) 2.941 10.900 ( -7.987 -4.611 0.000) 9.223 11.020 ( -4.309 -2.488 0.000) 4.976 11.103 ( -4.478 -2.585 0.000) 5.171 11.213 ( -4.228 -2.441 0.000) 4.882 11.301 ( -3.621 -2.090 0.000) 4.181 11.423 ( -4.700 -2.714 0.000) 5.428 11.639 ( 3.348 1.933 0.000) 3.866 11.655 ( 5.994 3.460 0.000) 6.921 11.904 ( -0.215 -0.124 0.000) 0.248 12.001 ( -2.023 -1.168 0.000) 2.336 12.189 ( -7.630 -4.405 0.000) 8.811 12.259 ( -5.619 -3.244 0.000) 6.489 12.424 ( -0.097 -0.056 0.000) 0.113 12.534 ( -4.924 -2.843 0.000) 5.686 12.626 ( -6.515 -3.761 0.000) 7.522 13.049 ( -1.531 -0.884 0.000) 1.768 13.170 ( 11.856 6.845 0.000) 13.690 13.509 ( 0.489 0.282 0.000) 0.565 14.026 ( 23.778 13.728 0.000) 27.456 14.333 ( -3.602 -2.079 0.000) 4.159 14.862 ( -2.229 -1.287 0.000) 2.574 15.191 ( 5.213 3.010 0.000) 6.019 15.361 ( 11.939 6.893 0.000) 13.786 15.419 ( -1.982 -1.144 0.000) 2.288 15.675 ( 7.118 4.110 0.000) 8.219 15.906 ( 1.700 0.981 0.000) 1.963 15.911 ( 6.261 3.615 0.000) 7.229 16.225 ( -1.746 -1.008 0.000) 2.016 16.726 ( -4.444 -2.566 0.000) 5.132 16.782 ( -6.522 -3.766 0.000) 7.531 17.061 ( -1.067 -0.616 0.000) 1.232 17.144 ( -4.229 -2.441 0.000) 4.883 17.661 ( -5.309 -3.065 0.000) 6.130 17.815 ( -3.128 -1.806 0.000) 3.612 17.836 ( 0.179 0.104 0.000) 0.207 18.018 ( 2.844 1.642 0.000) 3.284 18.026 ( 7.312 4.221 0.000) 8.443 19.225 ( -9.751 -5.630 0.000) 11.259 19.402 ( -0.416 -0.240 0.000) 0.480 19.477 ( 2.388 1.379 0.000) 2.757 19.563 ( 3.399 1.962 0.000) 3.925 19.605 ( 5.089 2.938 0.000) 5.876 20.165 ( 1.755 1.013 0.000) 2.026 20.284 ( -0.942 -0.544 0.000) 1.088 20.699 ( -6.375 -3.681 0.000) 7.362 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 32.266 18.629 0.000) 37.257 2.666 ( 32.645 18.848 0.000) 37.695 3.699 ( 14.649 8.458 0.000) 16.916 4.200 ( 14.631 8.447 0.000) 16.895 4.349 ( 48.506 28.005 0.000) 56.010 4.467 ( 12.001 6.929 0.000) 13.858 4.529 ( 9.786 5.650 0.000) 11.300 4.828 ( -2.785 -1.608 0.000) 3.216 4.861 ( -16.334 -9.431 0.000) 18.861 4.920 ( -16.875 -9.743 0.000) 19.486 4.959 ( -19.542 -11.282 0.000) 22.565 5.086 ( 5.554 3.207 0.000) 6.413 5.334 ( 0.795 0.459 0.000) 0.918 5.345 ( -12.490 -7.211 0.000) 14.422 5.413 ( -8.506 -4.911 0.000) 9.822 5.552 ( -7.465 -4.310 0.000) 8.620 5.845 ( -1.951 -1.127 0.000) 2.253 6.038 ( 1.037 0.598 0.000) 1.197 6.080 ( 16.984 9.806 0.000) 19.612 6.266 ( 14.548 8.399 0.000) 16.799 6.723 ( -13.276 -7.665 0.000) 15.329 7.092 ( -2.827 -1.632 0.000) 3.264 7.268 ( -7.461 -4.308 0.000) 8.616 7.391 ( -27.989 -16.159 0.000) 32.319 7.540 ( 4.413 2.548 0.000) 5.096 7.561 ( 8.767 5.062 0.000) 10.123 7.647 ( -1.289 -0.744 0.000) 1.488 8.033 ( 9.097 5.252 0.000) 10.505 8.103 ( -18.103 -10.452 0.000) 20.903 8.453 ( -1.580 -0.912 0.000) 1.825 8.484 ( 0.991 0.572 0.000) 1.145 8.642 ( -0.191 -0.110 0.000) 0.220 8.654 ( -9.167 -5.292 0.000) 10.585 8.914 ( -1.451 -0.837 0.000) 1.675 9.209 ( -3.810 -2.200 0.000) 4.400 9.399 ( 11.065 6.388 0.000) 12.777 9.421 ( -6.480 -3.741 0.000) 7.483 9.603 ( -4.823 -2.784 0.000) 5.569 9.712 ( 0.081 0.047 0.000) 0.093 9.736 ( 2.072 1.197 0.000) 2.393 10.019 ( -2.301 -1.328 0.000) 2.657 10.108 ( -2.787 -1.609 0.000) 3.218 10.344 ( 1.020 0.589 0.000) 1.177 10.393 ( 4.135 2.388 0.000) 4.775 10.588 ( 5.050 2.915 0.000) 5.831 10.684 ( -9.720 -5.612 0.000) 11.223 10.876 ( -11.059 -6.385 0.000) 12.770 10.980 ( -2.736 -1.580 0.000) 3.160 11.037 ( -9.353 -5.400 0.000) 10.800 11.190 ( -5.363 -3.096 0.000) 6.192 11.338 ( -1.924 -1.111 0.000) 2.222 11.529 ( -5.497 -3.174 0.000) 6.347 11.668 ( -7.196 -4.154 0.000) 8.309 11.861 ( -4.945 -2.855 0.000) 5.710 12.023 ( -4.620 -2.667 0.000) 5.334 12.108 ( -5.333 -3.079 0.000) 6.158 12.226 ( 12.101 6.987 0.000) 13.974 12.418 ( -0.485 -0.280 0.000) 0.561 12.439 ( -4.670 -2.696 0.000) 5.393 12.528 ( 0.570 0.329 0.000) 0.658 13.043 ( 1.184 0.684 0.000) 1.367 13.458 ( 12.222 7.056 0.000) 14.112 13.496 ( -0.042 -0.024 0.000) 0.048 14.236 ( -5.258 -3.036 0.000) 6.071 14.467 ( 5.149 2.973 0.000) 5.946 14.721 ( 3.402 1.964 0.000) 3.928 15.251 ( 0.518 0.299 0.000) 0.598 15.384 ( -1.075 -0.621 0.000) 1.242 15.742 ( 14.240 8.221 0.000) 16.443 15.822 ( 4.494 2.594 0.000) 5.189 15.945 ( 1.546 0.892 0.000) 1.785 16.062 ( 5.468 3.157 0.000) 6.314 16.131 ( -2.973 -1.717 0.000) 3.433 16.644 ( -4.883 -2.819 0.000) 5.639 16.654 ( -3.284 -1.896 0.000) 3.792 17.002 ( -7.468 -4.312 0.000) 8.624 17.055 ( 1.098 0.634 0.000) 1.267 17.538 ( -4.910 -2.835 0.000) 5.670 17.737 ( -3.253 -1.878 0.000) 3.756 17.859 ( 1.761 1.017 0.000) 2.034 18.102 ( 4.512 2.605 0.000) 5.211 18.275 ( 13.472 7.778 0.000) 15.556 18.980 ( -11.064 -6.388 0.000) 12.776 19.372 ( -2.785 -1.608 0.000) 3.216 19.538 ( 2.669 1.541 0.000) 3.082 19.652 ( 4.238 2.447 0.000) 4.894 19.736 ( 6.013 3.471 0.000) 6.943 20.177 ( -0.768 -0.444 0.000) 0.887 20.218 ( -4.086 -2.359 0.000) 4.718 20.539 ( -7.275 -4.200 0.000) 8.400 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 29.338 16.938 0.000) 33.876 3.361 ( 26.690 15.409 0.000) 30.819 4.004 ( 11.248 6.494 0.000) 12.988 4.287 ( -20.705 -11.954 0.000) 23.908 4.351 ( -12.360 -7.136 0.000) 14.273 4.519 ( 8.418 4.860 0.000) 9.720 4.569 ( -10.478 -6.049 0.000) 12.099 4.588 ( -11.267 -6.505 0.000) 13.010 4.791 ( -9.441 -5.451 0.000) 10.901 4.869 ( 11.781 6.802 0.000) 13.604 5.140 ( -1.960 -1.132 0.000) 2.264 5.198 ( 5.522 3.188 0.000) 6.376 5.328 ( 5.551 3.205 0.000) 6.409 5.337 ( -5.193 -2.998 0.000) 5.997 5.489 ( 7.420 4.284 0.000) 8.568 5.562 ( 40.456 23.357 0.000) 46.715 5.807 ( -0.889 -0.513 0.000) 1.026 6.094 ( 3.185 1.839 0.000) 3.678 6.244 ( -7.724 -4.459 0.000) 8.919 6.306 ( -1.196 -0.691 0.000) 1.381 6.501 ( -10.097 -5.830 0.000) 11.659 6.691 ( -27.608 -15.940 0.000) 31.879 7.029 ( -19.425 -11.215 0.000) 22.430 7.070 ( 15.494 8.945 0.000) 17.891 7.398 ( -4.891 -2.824 0.000) 5.648 7.526 ( -15.355 -8.865 0.000) 17.731 7.886 ( 12.660 7.309 0.000) 14.619 8.053 ( 5.461 3.153 0.000) 6.305 8.402 ( 1.608 0.929 0.000) 1.857 8.476 ( 3.324 1.919 0.000) 3.838 8.550 ( 5.257 3.035 0.000) 6.070 8.588 ( -5.609 -3.238 0.000) 6.477 8.614 ( 23.731 13.701 0.000) 27.402 8.904 ( 0.189 0.109 0.000) 0.218 9.088 ( -8.368 -4.831 0.000) 9.662 9.329 ( -1.168 -0.674 0.000) 1.349 9.397 ( -5.936 -3.427 0.000) 6.855 9.676 ( 4.785 2.762 0.000) 5.525 9.760 ( -0.921 -0.532 0.000) 1.063 9.851 ( 15.079 8.706 0.000) 17.412 9.907 ( -8.672 -5.007 0.000) 10.014 10.061 ( -1.219 -0.704 0.000) 1.407 10.275 ( -5.732 -3.310 0.000) 6.619 10.423 ( -11.610 -6.703 0.000) 13.406 10.432 ( -0.916 -0.529 0.000) 1.057 10.600 ( -8.783 -5.071 0.000) 10.142 10.681 ( -3.687 -2.129 0.000) 4.258 10.818 ( -3.366 -1.944 0.000) 3.887 10.975 ( 0.558 0.322 0.000) 0.644 11.097 ( -2.034 -1.174 0.000) 2.349 11.332 ( 0.868 0.501 0.000) 1.002 11.353 ( -9.292 -5.365 0.000) 10.730 11.561 ( -0.564 -0.325 0.000) 0.651 11.697 ( -6.895 -3.981 0.000) 7.962 11.941 ( -8.198 -4.733 0.000) 9.466 11.987 ( 0.157 0.091 0.000) 0.182 12.301 ( -1.977 -1.141 0.000) 2.283 12.404 ( -0.633 -0.366 0.000) 0.731 12.457 ( 2.545 1.469 0.000) 2.938 12.636 ( 6.791 3.921 0.000) 7.842 13.098 ( 2.934 1.694 0.000) 3.388 13.541 ( 3.664 2.115 0.000) 4.230 13.727 ( 10.838 6.257 0.000) 12.514 14.088 ( -6.906 -3.987 0.000) 7.974 14.288 ( -10.974 -6.336 0.000) 12.671 15.026 ( 12.475 7.202 0.000) 14.404 15.243 ( -0.706 -0.408 0.000) 0.816 15.372 ( 0.414 0.239 0.000) 0.478 15.887 ( 1.406 0.812 0.000) 1.623 15.889 ( -0.749 -0.433 0.000) 0.865 15.961 ( 0.767 0.443 0.000) 0.885 16.119 ( -0.134 -0.077 0.000) 0.155 16.211 ( 7.905 4.564 0.000) 9.128 16.555 ( -4.881 -2.818 0.000) 5.636 16.564 ( -2.051 -1.184 0.000) 2.368 16.829 ( -6.483 -3.743 0.000) 7.486 17.112 ( 2.982 1.722 0.000) 3.444 17.449 ( -2.414 -1.394 0.000) 2.787 17.674 ( -1.957 -1.130 0.000) 2.259 17.904 ( 1.670 0.964 0.000) 1.928 18.236 ( 7.101 4.100 0.000) 8.200 18.622 ( 15.584 8.998 0.000) 17.995 18.718 ( -11.239 -6.489 0.000) 12.978 19.243 ( -8.579 -4.953 0.000) 9.906 19.591 ( 1.721 0.994 0.000) 1.987 19.753 ( 3.936 2.272 0.000) 4.544 19.877 ( 5.849 3.377 0.000) 6.753 20.131 ( -3.086 -1.781 0.000) 3.563 20.141 ( -1.594 -0.920 0.000) 1.840 20.367 ( -7.129 -4.116 0.000) 8.231 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( -0.000 -0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.820 ( -0.000 -0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.275 ( -0.000 -0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.473 ( -0.000 -0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.197 ( -0.000 -0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.662 ( -0.000 -0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.693 ( -0.000 -0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.237 ( -0.000 -0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.230 ( -0.000 -0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 10.077 ( -0.000 -0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.324 ( -0.000 -0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 12.280 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.981 ( -0.000 -0.000 0.000) 0.000 14.096 ( -0.000 -0.000 0.000) 0.000 15.171 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.397 ( 0.000 0.000 0.000) 0.000 15.855 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 16.108 ( 0.000 0.000 0.000) 0.000 16.344 ( 0.000 0.000 0.000) 0.000 16.464 ( 0.000 0.000 0.000) 0.000 16.541 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 17.152 ( 0.000 0.000 0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.511 ( -0.000 -0.000 0.000) 0.000 18.943 ( 0.000 0.000 0.000) 0.000 19.005 ( -0.000 -0.000 0.000) 0.000 19.612 ( 0.000 0.000 0.000) 0.000 19.805 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.065 ( -0.000 -0.000 0.000) 0.000 20.144 ( 0.000 0.000 0.000) 0.000 20.255 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 18.415 31.896 0.000) 36.830 1.616 ( 21.999 38.104 0.000) 43.999 2.575 ( 35.795 61.998 0.000) 71.589 3.455 ( 4.016 6.957 0.000) 8.033 3.727 ( 10.527 18.233 0.000) 21.054 4.106 ( 7.069 12.244 0.000) 14.139 4.116 ( 6.667 11.548 0.000) 13.335 4.850 ( 3.314 5.739 0.000) 6.627 4.954 ( -1.131 -1.959 0.000) 2.262 5.255 ( -0.419 -0.726 0.000) 0.839 5.295 ( 13.228 22.912 0.000) 26.456 5.394 ( -6.609 -11.447 0.000) 13.218 5.526 ( -11.303 -19.578 0.000) 22.607 5.584 ( -11.322 -19.610 0.000) 22.643 5.719 ( -5.222 -9.044 0.000) 10.444 5.792 ( -5.831 -10.100 0.000) 11.662 5.816 ( -5.813 -10.069 0.000) 11.626 5.892 ( -0.472 -0.817 0.000) 0.944 5.934 ( -0.992 -1.718 0.000) 1.984 6.115 ( 1.922 3.328 0.000) 3.843 6.624 ( 15.379 26.637 0.000) 30.758 6.767 ( 7.384 12.789 0.000) 14.768 6.962 ( 0.619 1.073 0.000) 1.239 7.341 ( 0.470 0.814 0.000) 0.940 7.814 ( 3.067 5.312 0.000) 6.134 8.085 ( -13.774 -23.857 0.000) 27.548 8.113 ( -13.684 -23.702 0.000) 27.368 8.397 ( -1.479 -2.562 0.000) 2.958 8.400 ( -3.360 -5.819 0.000) 6.719 8.496 ( -0.680 -1.177 0.000) 1.359 8.653 ( -8.677 -15.030 0.000) 17.355 8.855 ( -0.775 -1.343 0.000) 1.551 8.901 ( -11.633 -20.149 0.000) 23.266 9.082 ( -5.247 -9.089 0.000) 10.495 9.190 ( -10.739 -18.600 0.000) 21.477 9.321 ( -1.309 -2.268 0.000) 2.618 9.581 ( -0.719 -1.246 0.000) 1.439 9.633 ( -1.161 -2.010 0.000) 2.321 9.787 ( 4.748 8.224 0.000) 9.496 9.814 ( 2.090 3.620 0.000) 4.180 9.841 ( 0.342 0.591 0.000) 0.683 10.162 ( 1.003 1.737 0.000) 2.006 10.175 ( 2.979 5.159 0.000) 5.957 10.299 ( -2.504 -4.338 0.000) 5.009 10.487 ( 1.471 2.548 0.000) 2.942 10.994 ( -4.393 -7.609 0.000) 8.786 11.051 ( -4.717 -8.169 0.000) 9.433 11.184 ( 4.381 7.588 0.000) 8.762 11.213 ( 4.757 8.240 0.000) 9.515 11.323 ( -1.504 -2.604 0.000) 3.007 11.435 ( -1.099 -1.903 0.000) 2.198 11.503 ( 0.001 0.001 0.000) 0.001 11.653 ( -3.079 -5.333 0.000) 6.158 11.898 ( -0.220 -0.381 0.000) 0.440 12.057 ( -1.748 -3.028 0.000) 3.497 12.288 ( -2.692 -4.663 0.000) 5.384 12.317 ( -2.521 -4.366 0.000) 5.041 12.328 ( -2.786 -4.825 0.000) 5.572 12.632 ( -2.143 -3.712 0.000) 4.286 12.700 ( -3.010 -5.214 0.000) 6.020 12.872 ( 0.756 1.309 0.000) 1.511 13.188 ( 0.602 1.043 0.000) 1.205 13.679 ( 7.572 13.114 0.000) 15.143 13.713 ( 9.387 16.259 0.000) 18.775 14.354 ( -2.317 -4.014 0.000) 4.635 14.839 ( 4.408 7.634 0.000) 8.815 15.205 ( 7.180 12.437 0.000) 14.361 15.319 ( 0.597 1.034 0.000) 1.194 15.393 ( -1.651 -2.859 0.000) 3.302 15.627 ( 1.773 3.070 0.000) 3.545 15.858 ( 3.279 5.679 0.000) 6.558 15.938 ( 2.634 4.563 0.000) 5.268 16.218 ( 0.558 0.966 0.000) 1.116 16.708 ( -4.527 -7.841 0.000) 9.054 16.935 ( -2.109 -3.653 0.000) 4.218 16.981 ( -2.346 -4.064 0.000) 4.692 17.185 ( -1.252 -2.169 0.000) 2.504 17.693 ( -2.997 -5.191 0.000) 5.994 17.832 ( -1.367 -2.368 0.000) 2.735 17.854 ( 0.926 1.604 0.000) 1.852 17.962 ( 0.938 1.625 0.000) 1.876 18.014 ( 2.504 4.336 0.000) 5.007 19.273 ( -5.867 -10.163 0.000) 11.735 19.408 ( -0.100 -0.174 0.000) 0.201 19.463 ( 1.391 2.410 0.000) 2.783 19.555 ( 2.080 3.603 0.000) 4.160 19.561 ( 2.346 4.063 0.000) 4.691 20.128 ( 0.593 1.028 0.000) 1.187 20.311 ( 0.897 1.554 0.000) 1.794 20.741 ( -3.172 -5.494 0.000) 6.343 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 26.315 23.436 0.000) 35.238 2.388 ( 25.967 29.916 0.000) 39.614 3.600 ( 8.012 14.211 0.000) 16.314 3.871 ( 41.137 40.564 0.000) 57.773 4.122 ( 13.138 19.013 0.000) 23.111 4.381 ( 9.492 13.189 0.000) 16.249 4.407 ( 11.572 11.109 0.000) 16.041 4.871 ( -3.949 -4.225 0.000) 5.783 4.988 ( 0.522 0.143 0.000) 0.541 5.021 ( -11.795 -14.102 0.000) 18.384 5.101 ( -15.164 -13.634 0.000) 20.392 5.143 ( -14.157 -15.992 0.000) 21.358 5.247 ( -0.186 -9.128 0.000) 9.130 5.441 ( -6.425 -8.118 0.000) 10.352 5.551 ( -9.098 -5.465 0.000) 10.613 5.622 ( -5.905 -6.352 0.000) 8.673 5.863 ( -1.808 -0.933 0.000) 2.034 5.915 ( 11.339 11.730 0.000) 16.314 5.938 ( 11.053 5.780 0.000) 12.473 6.237 ( 3.863 10.111 0.000) 10.824 6.866 ( -10.112 -6.330 0.000) 11.930 7.036 ( 9.126 9.818 0.000) 13.405 7.278 ( 14.025 8.629 0.000) 16.467 7.306 ( 11.981 6.250 0.000) 13.513 7.482 ( -23.980 -17.740 0.000) 29.828 7.640 ( -13.736 -24.260 0.000) 27.879 7.945 ( 3.169 5.913 0.000) 6.708 8.098 ( -22.327 -3.451 0.000) 22.592 8.299 ( -8.117 -4.688 0.000) 9.373 8.434 ( -1.422 -6.748 0.000) 6.897 8.456 ( -2.104 -1.411 0.000) 2.533 8.602 ( -1.432 -3.478 0.000) 3.762 8.770 ( -10.392 -5.576 0.000) 11.793 8.889 ( -0.727 -7.285 0.000) 7.321 9.087 ( 15.249 -12.413 0.000) 19.663 9.277 ( -2.752 0.288 0.000) 2.767 9.498 ( -6.758 -3.989 0.000) 7.847 9.614 ( 4.062 -2.842 0.000) 4.957 9.780 ( -6.561 7.578 0.000) 10.024 9.854 ( -5.567 7.734 0.000) 9.529 10.008 ( 4.413 1.442 0.000) 4.642 10.121 ( -3.054 -5.847 0.000) 6.596 10.230 ( 6.429 -1.834 0.000) 6.686 10.366 ( 5.187 4.442 0.000) 6.829 10.545 ( 2.325 2.943 0.000) 3.751 10.786 ( -8.787 -7.477 0.000) 11.538 10.899 ( -0.339 -9.935 0.000) 9.940 11.156 ( -8.122 -4.669 0.000) 9.369 11.179 ( -11.245 6.840 0.000) 13.162 11.256 ( -4.259 -1.646 0.000) 4.566 11.353 ( -7.633 -1.137 0.000) 7.717 11.549 ( -1.624 -5.107 0.000) 5.359 11.684 ( 9.009 -2.806 0.000) 9.436 11.914 ( 1.391 0.041 0.000) 1.391 11.978 ( 0.395 -3.602 0.000) 3.623 12.139 ( -6.075 -5.123 0.000) 7.947 12.179 ( -5.364 -0.749 0.000) 5.416 12.323 ( 3.887 -7.135 0.000) 8.125 12.536 ( -5.125 -0.375 0.000) 5.139 12.591 ( -5.298 -0.801 0.000) 5.358 12.967 ( 6.599 -1.312 0.000) 6.728 13.220 ( 5.372 -1.786 0.000) 5.661 13.762 ( -8.632 18.841 0.000) 20.724 14.173 ( 24.239 1.338 0.000) 24.276 14.269 ( -3.101 -4.310 0.000) 5.310 14.726 ( -7.595 -10.380 0.000) 12.862 15.337 ( -1.855 4.662 0.000) 5.017 15.432 ( 1.833 8.958 0.000) 9.144 15.613 ( 12.225 15.309 0.000) 19.591 15.712 ( 6.918 0.665 0.000) 6.950 16.004 ( 3.048 8.225 0.000) 8.772 16.022 ( 1.976 5.894 0.000) 6.216 16.150 ( -3.075 -5.517 0.000) 6.316 16.598 ( -1.048 -6.636 0.000) 6.719 16.791 ( -8.679 0.182 0.000) 8.681 16.956 ( 3.010 -7.129 0.000) 7.738 17.093 ( -4.698 -4.178 0.000) 6.287 17.574 ( -4.137 -5.422 0.000) 6.820 17.783 ( -2.592 -0.881 0.000) 2.737 17.880 ( -0.258 3.575 0.000) 3.584 18.040 ( 4.878 2.173 0.000) 5.340 18.159 ( 7.913 7.862 0.000) 11.155 19.036 ( -7.584 -12.549 0.000) 14.662 19.399 ( -1.217 -0.417 0.000) 1.287 19.527 ( 2.039 3.736 0.000) 4.256 19.628 ( 2.260 4.191 0.000) 4.762 19.669 ( 5.134 3.384 0.000) 6.149 20.141 ( 0.941 -1.944 0.000) 2.159 20.285 ( -3.562 -1.427 0.000) 3.837 20.616 ( -5.388 -4.161 0.000) 6.808 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 29.002 16.975 0.000) 33.605 3.101 ( 24.429 23.254 0.000) 33.727 3.847 ( 11.184 5.341 0.000) 12.394 4.384 ( 2.883 3.555 0.000) 4.577 4.481 ( -10.379 -8.301 0.000) 13.291 4.517 ( -7.775 -6.251 0.000) 9.976 4.628 ( -11.558 -15.824 0.000) 19.595 4.755 ( -2.779 0.973 0.000) 2.945 4.802 ( 1.831 5.362 0.000) 5.666 4.824 ( -1.434 0.411 0.000) 1.492 5.047 ( 15.975 10.646 0.000) 19.197 5.134 ( 11.286 9.458 0.000) 14.725 5.188 ( 11.581 5.611 0.000) 12.869 5.298 ( 2.907 -0.037 0.000) 2.908 5.447 ( -2.510 5.306 0.000) 5.870 5.474 ( -4.707 -2.618 0.000) 5.386 5.821 ( -0.987 -1.010 0.000) 1.412 5.960 ( 6.441 -5.264 0.000) 8.318 6.308 ( 1.721 10.078 0.000) 10.224 6.393 ( -5.132 -3.437 0.000) 6.176 6.586 ( -6.884 -5.951 0.000) 9.100 6.896 ( -15.864 -20.839 0.000) 26.190 7.011 ( -6.873 -4.163 0.000) 8.036 7.167 ( -11.383 -17.862 0.000) 21.181 7.350 ( 8.576 7.423 0.000) 11.342 7.776 ( -14.286 2.028 0.000) 14.429 7.920 ( -0.543 5.931 0.000) 5.955 8.063 ( -5.106 8.600 0.000) 10.001 8.229 ( 22.528 18.046 0.000) 28.865 8.383 ( 0.700 -3.771 0.000) 3.835 8.451 ( 0.070 -2.967 0.000) 2.968 8.579 ( -0.985 0.612 0.000) 1.160 8.627 ( 2.971 0.757 0.000) 3.066 8.869 ( 1.119 -2.648 0.000) 2.875 9.227 ( -4.579 3.215 0.000) 5.594 9.295 ( 9.772 -9.001 0.000) 13.285 9.404 ( 9.597 -2.915 0.000) 10.030 9.651 ( -10.473 3.396 0.000) 11.009 9.680 ( -2.921 2.657 0.000) 3.949 9.816 ( -2.352 3.129 0.000) 3.914 9.988 ( -2.804 -1.750 0.000) 3.305 10.071 ( 0.348 -0.995 0.000) 1.054 10.280 ( 2.110 -6.385 0.000) 6.725 10.419 ( -2.200 -1.269 0.000) 2.540 10.566 ( -7.192 -6.662 0.000) 9.803 10.624 ( 1.380 1.770 0.000) 2.244 10.873 ( 5.850 -5.281 0.000) 7.881 10.905 ( -18.041 -0.944 0.000) 18.065 10.988 ( -13.394 6.131 0.000) 14.731 11.134 ( -5.424 -3.025 0.000) 6.211 11.269 ( 1.727 -5.114 0.000) 5.397 11.486 ( -3.148 -0.634 0.000) 3.211 11.624 ( -7.380 -0.064 0.000) 7.381 11.796 ( -8.255 -2.598 0.000) 8.654 11.988 ( -2.123 -3.420 0.000) 4.026 12.010 ( -3.844 -4.458 0.000) 5.887 12.231 ( 8.912 -5.613 0.000) 10.533 12.317 ( 6.340 -6.786 0.000) 9.287 12.443 ( -3.851 -1.497 0.000) 4.132 12.544 ( 1.319 -1.062 0.000) 1.693 13.057 ( 3.820 2.090 0.000) 4.354 13.340 ( 10.814 -3.832 0.000) 11.473 13.825 ( -3.612 15.761 0.000) 16.170 14.135 ( -5.629 -7.121 0.000) 9.077 14.394 ( -3.741 -5.480 0.000) 6.635 14.631 ( 15.366 -9.741 0.000) 18.193 15.369 ( 0.691 4.336 0.000) 4.391 15.510 ( -5.719 14.792 0.000) 15.859 15.803 ( 5.389 -0.042 0.000) 5.389 15.900 ( 2.633 3.407 0.000) 4.306 16.039 ( -2.613 5.955 0.000) 6.503 16.134 ( 4.248 4.298 0.000) 6.043 16.143 ( 0.961 4.656 0.000) 4.754 16.524 ( 0.417 -6.126 0.000) 6.140 16.652 ( -6.712 -0.984 0.000) 6.784 16.881 ( -4.665 -6.617 0.000) 8.096 17.033 ( 4.306 -3.272 0.000) 5.408 17.452 ( -3.017 -5.691 0.000) 6.441 17.724 ( -3.622 0.735 0.000) 3.696 17.939 ( 1.224 6.022 0.000) 6.145 18.147 ( 4.633 2.603 0.000) 5.314 18.441 ( 13.993 8.063 0.000) 16.150 18.771 ( -7.049 -13.501 0.000) 15.231 19.327 ( -5.647 -3.445 0.000) 6.615 19.595 ( 0.899 4.092 0.000) 4.190 19.724 ( 3.542 4.548 0.000) 5.764 19.799 ( 5.985 2.791 0.000) 6.604 20.117 ( -0.404 -3.094 0.000) 3.121 20.192 ( -3.966 -2.174 0.000) 4.523 20.469 ( -7.358 -2.820 0.000) 7.880 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 28.453 11.832 0.000) 30.815 3.686 ( 18.371 15.587 0.000) 24.093 3.966 ( -20.542 -18.089 0.000) 27.371 4.055 ( 2.139 -1.342 0.000) 2.525 4.217 ( -2.432 -6.213 0.000) 6.672 4.328 ( -3.737 -12.384 0.000) 12.936 4.528 ( -4.193 -2.374 0.000) 4.818 4.593 ( -8.811 -6.399 0.000) 10.890 4.739 ( 1.423 8.606 0.000) 8.723 5.027 ( 0.697 5.465 0.000) 5.509 5.133 ( 2.299 0.940 0.000) 2.484 5.176 ( 1.248 -2.381 0.000) 2.688 5.280 ( -2.595 -0.343 0.000) 2.617 5.486 ( 13.217 6.905 0.000) 14.912 5.560 ( 8.048 2.246 0.000) 8.356 5.826 ( -0.252 1.656 0.000) 1.675 5.871 ( -5.271 -1.181 0.000) 5.402 6.045 ( 6.030 -3.608 0.000) 7.027 6.234 ( 8.437 1.133 0.000) 8.513 6.317 ( -4.872 -4.511 0.000) 6.639 6.396 ( -14.081 -11.376 0.000) 18.102 6.462 ( 12.591 14.669 0.000) 19.332 6.848 ( -6.965 -2.064 0.000) 7.265 7.182 ( -28.933 -8.389 0.000) 30.124 7.271 ( 4.593 4.912 0.000) 6.725 7.554 ( -1.480 5.907 0.000) 6.090 7.993 ( 6.453 1.065 0.000) 6.541 8.107 ( 2.556 -3.416 0.000) 4.267 8.366 ( 0.170 0.808 0.000) 0.825 8.403 ( 1.719 -5.133 0.000) 5.413 8.540 ( -0.715 -0.474 0.000) 0.857 8.723 ( 0.862 15.544 0.000) 15.568 8.854 ( 1.390 -1.087 0.000) 1.765 9.002 ( 19.811 13.371 0.000) 23.901 9.119 ( -10.648 6.051 0.000) 12.247 9.300 ( 4.248 -1.066 0.000) 4.379 9.446 ( -9.297 4.934 0.000) 10.525 9.607 ( 3.583 -6.581 0.000) 7.493 9.701 ( 0.056 -0.553 0.000) 0.555 9.789 ( -2.923 0.616 0.000) 2.987 10.001 ( 5.932 1.603 0.000) 6.145 10.076 ( 1.767 -0.473 0.000) 1.829 10.185 ( -3.155 -7.494 0.000) 8.131 10.308 ( -1.148 -9.444 0.000) 9.514 10.430 ( -5.516 0.672 0.000) 5.557 10.532 ( -8.142 3.517 0.000) 8.869 10.610 ( -12.488 -1.088 0.000) 12.535 10.917 ( -2.415 5.243 0.000) 5.772 10.956 ( 4.574 -1.430 0.000) 4.792 11.070 ( 1.231 -1.211 0.000) 1.727 11.267 ( -0.088 -1.259 0.000) 1.262 11.370 ( -7.746 2.201 0.000) 8.053 11.579 ( -0.236 1.218 0.000) 1.241 11.662 ( -4.181 1.359 0.000) 4.396 11.861 ( -5.821 -2.023 0.000) 6.162 11.960 ( 0.683 -2.728 0.000) 2.812 12.229 ( 2.142 -5.531 0.000) 5.932 12.384 ( 2.265 -3.668 0.000) 4.311 12.399 ( 4.948 -7.616 0.000) 9.082 12.590 ( 7.089 -7.335 0.000) 10.200 13.134 ( 1.591 2.223 0.000) 2.734 13.493 ( 9.223 -3.214 0.000) 9.767 13.912 ( -0.532 -0.497 0.000) 0.728 13.979 ( -2.885 1.614 0.000) 3.306 14.232 ( -8.138 1.260 0.000) 8.235 14.776 ( 13.634 -16.514 0.000) 21.415 15.419 ( -0.962 4.222 0.000) 4.330 15.572 ( -5.398 16.217 0.000) 17.092 15.850 ( 0.133 -2.001 0.000) 2.005 15.902 ( 0.167 0.989 0.000) 1.003 16.036 ( -4.433 5.641 0.000) 7.174 16.162 ( -2.682 4.839 0.000) 5.533 16.295 ( 6.093 3.702 0.000) 7.130 16.467 ( -1.747 -4.420 0.000) 4.753 16.557 ( -2.435 -0.432 0.000) 2.473 16.745 ( -2.596 -4.247 0.000) 4.977 17.106 ( 4.825 -1.991 0.000) 5.219 17.367 ( 0.828 -6.579 0.000) 6.631 17.684 ( -2.466 2.101 0.000) 3.240 18.015 ( -2.416 9.229 0.000) 9.540 18.268 ( 8.433 -1.144 0.000) 8.510 18.507 ( -4.606 -12.373 0.000) 13.202 18.804 ( 14.825 7.879 0.000) 16.789 19.120 ( -11.306 -7.584 0.000) 13.614 19.635 ( -0.696 3.264 0.000) 3.337 19.820 ( 1.083 4.333 0.000) 4.466 19.923 ( 5.423 1.200 0.000) 5.555 20.063 ( -2.135 -4.086 0.000) 4.610 20.143 ( 0.262 0.614 0.000) 0.668 20.321 ( -6.249 -0.736 0.000) 6.292 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 14.983 25.952 0.000) 29.967 3.002 ( 17.280 29.929 0.000) 34.559 3.771 ( 4.361 7.553 0.000) 8.722 4.374 ( 4.773 8.266 0.000) 9.545 4.528 ( -3.325 -5.759 0.000) 6.649 4.550 ( -3.557 -6.162 0.000) 7.115 4.649 ( -12.700 -21.997 0.000) 25.400 4.750 ( 4.388 7.601 0.000) 8.777 4.833 ( 2.045 3.542 0.000) 4.090 4.874 ( -4.918 -8.519 0.000) 9.836 4.934 ( 22.889 39.644 0.000) 45.777 5.070 ( -2.052 -3.554 0.000) 4.104 5.133 ( 2.027 3.510 0.000) 4.054 5.267 ( -1.889 -3.272 0.000) 3.778 5.510 ( -2.529 -4.380 0.000) 5.058 5.512 ( 0.396 0.686 0.000) 0.792 5.814 ( -1.497 -2.593 0.000) 2.994 5.867 ( -0.525 -0.910 0.000) 1.051 6.356 ( 8.030 13.908 0.000) 16.059 6.399 ( 1.536 2.660 0.000) 3.071 6.633 ( -8.420 -14.583 0.000) 16.840 6.918 ( -11.520 -19.954 0.000) 23.041 7.109 ( -5.436 -9.416 0.000) 10.873 7.111 ( -11.952 -20.701 0.000) 23.904 7.308 ( 5.262 9.113 0.000) 10.523 7.919 ( 12.407 21.489 0.000) 24.813 8.004 ( -4.045 -7.007 0.000) 8.091 8.093 ( 0.959 1.662 0.000) 1.919 8.206 ( 4.343 7.522 0.000) 8.686 8.311 ( -2.360 -4.088 0.000) 4.720 8.482 ( 1.285 2.225 0.000) 2.570 8.616 ( 0.099 0.172 0.000) 0.199 8.728 ( 2.560 4.434 0.000) 5.120 8.764 ( -2.500 -4.330 0.000) 5.000 8.937 ( 0.944 1.635 0.000) 1.888 9.298 ( 0.814 1.410 0.000) 1.628 9.393 ( -3.144 -5.445 0.000) 6.287 9.607 ( 1.248 2.161 0.000) 2.495 9.844 ( 0.546 0.946 0.000) 1.092 9.938 ( -1.895 -3.281 0.000) 3.789 10.003 ( -1.834 -3.176 0.000) 3.667 10.085 ( 1.785 3.092 0.000) 3.570 10.189 ( -1.161 -2.011 0.000) 2.322 10.448 ( 1.833 3.175 0.000) 3.666 10.611 ( -1.842 -3.191 0.000) 3.684 10.627 ( -1.591 -2.755 0.000) 3.182 10.688 ( -4.921 -8.523 0.000) 9.842 11.022 ( -4.453 -7.713 0.000) 8.907 11.135 ( -4.003 -6.933 0.000) 8.006 11.195 ( -0.934 -1.618 0.000) 1.868 11.473 ( 0.203 0.351 0.000) 0.406 11.516 ( -0.529 -0.917 0.000) 1.059 11.594 ( 0.116 0.201 0.000) 0.233 11.843 ( -3.084 -5.342 0.000) 6.168 11.904 ( -1.843 -3.193 0.000) 3.687 12.001 ( -3.714 -6.432 0.000) 7.427 12.171 ( -2.465 -4.270 0.000) 4.930 12.186 ( -2.077 -3.598 0.000) 4.155 12.479 ( -2.701 -4.679 0.000) 5.403 12.540 ( -2.511 -4.350 0.000) 5.022 13.027 ( 3.311 5.734 0.000) 6.621 13.212 ( 1.291 2.237 0.000) 2.583 14.048 ( 1.855 3.212 0.000) 3.709 14.157 ( -3.465 -6.002 0.000) 6.931 14.202 ( 3.929 6.806 0.000) 7.859 14.520 ( -4.922 -8.526 0.000) 9.845 15.385 ( 1.828 3.165 0.000) 3.655 15.680 ( 5.492 9.512 0.000) 10.983 15.717 ( 1.117 1.934 0.000) 2.233 15.888 ( 4.230 7.327 0.000) 8.460 16.072 ( 0.638 1.105 0.000) 1.276 16.137 ( 2.840 4.920 0.000) 5.681 16.193 ( 5.600 9.700 0.000) 11.200 16.464 ( -3.510 -6.079 0.000) 7.020 16.750 ( -2.847 -4.931 0.000) 5.693 16.842 ( -1.595 -2.763 0.000) 3.190 16.974 ( -3.948 -6.837 0.000) 7.895 17.450 ( -3.827 -6.628 0.000) 7.653 17.777 ( -0.058 -0.100 0.000) 0.115 17.936 ( 1.251 2.166 0.000) 2.501 18.150 ( 4.625 8.011 0.000) 9.250 18.340 ( 6.054 10.486 0.000) 12.108 18.751 ( -8.627 -14.942 0.000) 17.254 19.361 ( -2.404 -4.164 0.000) 4.808 19.620 ( 2.846 4.930 0.000) 5.693 19.712 ( 2.238 3.876 0.000) 4.476 19.754 ( 3.126 5.415 0.000) 6.252 20.103 ( -1.071 -1.855 0.000) 2.141 20.218 ( -2.533 -4.386 0.000) 5.065 20.526 ( -2.985 -5.171 0.000) 5.971 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 20.569 16.912 0.000) 26.629 3.564 ( 16.290 21.606 0.000) 27.059 3.926 ( 6.648 2.659 0.000) 7.160 4.115 ( -16.464 -18.365 0.000) 24.664 4.196 ( -6.185 -16.087 0.000) 17.235 4.342 ( -8.793 -11.598 0.000) 14.554 4.537 ( -2.085 -3.879 0.000) 4.403 4.744 ( -6.651 -1.136 0.000) 6.747 4.770 ( -1.624 4.481 0.000) 4.766 5.020 ( 4.020 -6.309 0.000) 7.481 5.080 ( 3.355 8.910 0.000) 9.521 5.165 ( 2.153 1.197 0.000) 2.464 5.209 ( 8.053 5.838 0.000) 9.947 5.406 ( -0.507 -2.792 0.000) 2.838 5.557 ( 0.617 6.222 0.000) 6.252 5.819 ( 3.688 2.808 0.000) 4.635 5.871 ( 3.227 1.206 0.000) 3.445 5.910 ( 14.389 18.240 0.000) 23.233 6.183 ( -7.971 -12.948 0.000) 15.205 6.385 ( -10.096 -10.051 0.000) 14.246 6.437 ( 4.407 7.186 0.000) 8.429 6.489 ( -12.559 -19.131 0.000) 22.885 6.915 ( -0.707 1.711 0.000) 1.851 7.161 ( 7.149 7.005 0.000) 10.009 7.493 ( 0.774 5.447 0.000) 5.501 7.746 ( -18.635 -0.351 0.000) 18.638 8.003 ( 1.307 -5.923 0.000) 6.066 8.041 ( -2.571 -0.433 0.000) 2.607 8.265 ( 3.025 -6.460 0.000) 7.133 8.438 ( -3.142 -0.460 0.000) 3.175 8.550 ( -4.587 5.521 0.000) 7.178 8.760 ( 9.402 12.292 0.000) 15.475 8.790 ( 15.110 4.444 0.000) 15.750 8.906 ( 1.468 17.253 0.000) 17.315 9.130 ( 15.096 -1.091 0.000) 15.136 9.310 ( -2.773 3.543 0.000) 4.499 9.379 ( 6.168 1.437 0.000) 6.333 9.672 ( 2.793 2.141 0.000) 3.519 9.806 ( -10.299 5.204 0.000) 11.539 9.865 ( -3.669 2.371 0.000) 4.368 9.944 ( 0.544 -1.936 0.000) 2.011 10.078 ( -3.473 -0.854 0.000) 3.577 10.132 ( -0.274 -5.856 0.000) 5.862 10.316 ( -12.589 -7.892 0.000) 14.858 10.474 ( -2.181 -1.267 0.000) 2.522 10.600 ( 0.648 -7.593 0.000) 7.620 10.721 ( 9.832 -6.629 0.000) 11.858 10.877 ( -5.725 -1.957 0.000) 6.050 11.023 ( -1.138 -4.390 0.000) 4.535 11.217 ( -10.415 3.903 0.000) 11.123 11.249 ( -11.925 11.614 0.000) 16.646 11.496 ( -0.895 1.111 0.000) 1.427 11.634 ( -1.658 0.576 0.000) 1.755 11.788 ( -7.319 -0.173 0.000) 7.321 11.841 ( 8.462 -11.157 0.000) 14.003 11.931 ( 1.468 -4.058 0.000) 4.315 12.069 ( 1.558 -8.091 0.000) 8.239 12.140 ( 1.555 -8.497 0.000) 8.638 12.370 ( -2.925 -5.344 0.000) 6.092 12.456 ( 0.683 -7.279 0.000) 7.311 13.141 ( 2.164 5.704 0.000) 6.101 13.314 ( 7.652 0.774 0.000) 7.691 13.927 ( -6.076 -9.164 0.000) 10.995 14.096 ( -4.539 7.089 0.000) 8.418 14.316 ( 0.750 -2.327 0.000) 2.445 14.448 ( 6.598 -6.766 0.000) 9.451 15.472 ( 1.725 6.434 0.000) 6.661 15.731 ( -1.720 5.562 0.000) 5.822 15.808 ( 2.462 -0.799 0.000) 2.589 15.919 ( -0.705 0.178 0.000) 0.727 16.156 ( -0.217 4.354 0.000) 4.360 16.225 ( 1.956 4.463 0.000) 4.873 16.321 ( -1.674 10.038 0.000) 10.176 16.424 ( 3.210 -1.231 0.000) 3.438 16.631 ( -6.109 -0.742 0.000) 6.154 16.764 ( -5.604 -4.014 0.000) 6.893 16.933 ( 9.046 -6.181 0.000) 10.956 17.313 ( -3.236 -8.007 0.000) 8.636 17.768 ( -2.838 3.511 0.000) 4.515 18.011 ( 6.546 0.488 0.000) 6.564 18.283 ( -2.130 11.039 0.000) 11.243 18.451 ( -6.100 -13.992 0.000) 15.264 18.611 ( 13.637 5.419 0.000) 14.674 19.208 ( -7.697 -8.676 0.000) 11.598 19.696 ( -0.621 5.644 0.000) 5.678 19.810 ( 5.338 2.820 0.000) 6.037 19.869 ( 2.997 5.194 0.000) 5.997 20.059 ( -1.764 -3.410 0.000) 3.840 20.145 ( -1.058 -1.780 0.000) 2.071 20.407 ( -5.047 -3.511 0.000) 6.148 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 2.676 -4.635 0.000) 5.352 3.677 ( 0.599 -1.037 0.000) 1.198 3.893 ( -0.787 1.364 0.000) 1.575 4.057 ( -1.126 1.950 0.000) 2.252 4.079 ( 4.054 -7.021 0.000) 8.108 4.107 ( 3.730 -6.461 0.000) 7.461 4.519 ( -0.779 1.349 0.000) 1.558 4.522 ( -0.872 1.511 0.000) 1.744 4.905 ( -3.302 5.719 0.000) 6.604 4.981 ( 5.951 -10.308 0.000) 11.903 5.083 ( -0.675 1.169 0.000) 1.350 5.267 ( -2.385 4.132 0.000) 4.771 5.305 ( -0.994 1.721 0.000) 1.987 5.436 ( 3.620 -6.269 0.000) 7.239 5.698 ( -1.264 2.189 0.000) 2.528 5.740 ( -1.864 3.229 0.000) 3.728 5.916 ( -0.934 1.618 0.000) 1.868 5.991 ( 1.975 -3.421 0.000) 3.950 6.102 ( 4.684 -8.114 0.000) 9.369 6.165 ( 4.185 -7.249 0.000) 8.370 6.211 ( 3.023 -5.236 0.000) 6.045 6.903 ( -4.619 8.000 0.000) 9.237 7.038 ( -6.363 11.020 0.000) 12.725 7.065 ( -7.165 12.409 0.000) 14.329 7.319 ( -0.697 1.208 0.000) 1.395 7.675 ( -2.377 4.117 0.000) 4.754 7.991 ( 3.951 -6.844 0.000) 7.903 7.993 ( -0.443 0.767 0.000) 0.886 8.264 ( 4.052 -7.019 0.000) 8.104 8.425 ( -1.919 3.324 0.000) 3.838 8.509 ( 0.361 -0.626 0.000) 0.722 8.836 ( 2.379 -4.120 0.000) 4.757 9.041 ( 2.211 -3.830 0.000) 4.423 9.055 ( -4.858 8.415 0.000) 9.716 9.214 ( -2.955 5.118 0.000) 5.909 9.407 ( -0.816 1.414 0.000) 1.633 9.468 ( -5.860 10.151 0.000) 11.721 9.712 ( -5.502 9.530 0.000) 11.005 9.714 ( -1.090 1.888 0.000) 2.180 9.828 ( -1.698 2.941 0.000) 3.396 10.000 ( 0.900 -1.558 0.000) 1.799 10.011 ( 1.702 -2.948 0.000) 3.404 10.094 ( 1.395 -2.417 0.000) 2.791 10.100 ( 4.499 -7.792 0.000) 8.997 10.446 ( -1.261 2.184 0.000) 2.522 10.550 ( 1.581 -2.739 0.000) 3.163 10.776 ( -8.228 14.252 0.000) 16.457 10.817 ( 8.418 -14.580 0.000) 16.836 10.964 ( 0.461 -0.798 0.000) 0.921 11.036 ( -2.741 4.747 0.000) 5.481 11.377 ( -3.738 6.474 0.000) 7.476 11.426 ( -2.885 4.997 0.000) 5.770 11.620 ( -1.585 2.745 0.000) 3.170 11.719 ( -2.091 3.622 0.000) 4.183 11.842 ( 3.103 -5.374 0.000) 6.205 11.932 ( -0.883 1.530 0.000) 1.767 12.065 ( 10.115 -17.520 0.000) 20.230 12.091 ( 4.405 -7.630 0.000) 8.810 12.312 ( 2.858 -4.950 0.000) 5.716 12.426 ( 4.876 -8.446 0.000) 9.752 13.193 ( -2.065 3.577 0.000) 4.130 13.416 ( 2.762 -4.784 0.000) 5.524 13.794 ( 2.478 -4.291 0.000) 4.955 14.098 ( -3.015 5.221 0.000) 6.029 14.291 ( -1.399 2.422 0.000) 2.797 14.486 ( 6.388 -11.065 0.000) 12.777 15.529 ( -3.510 6.080 0.000) 7.020 15.762 ( -2.449 4.242 0.000) 4.899 15.802 ( 1.538 -2.663 0.000) 3.075 15.907 ( 0.543 -0.941 0.000) 1.087 16.161 ( -2.349 4.068 0.000) 4.698 16.267 ( -1.737 3.008 0.000) 3.474 16.393 ( 1.296 -2.244 0.000) 2.591 16.448 ( -7.754 13.431 0.000) 15.509 16.555 ( -0.295 0.512 0.000) 0.591 16.673 ( 1.420 -2.459 0.000) 2.840 17.028 ( 3.800 -6.581 0.000) 7.599 17.214 ( 4.178 -7.236 0.000) 8.355 17.759 ( -3.052 5.286 0.000) 6.103 18.175 ( 0.678 -1.175 0.000) 1.357 18.179 ( 3.611 -6.254 0.000) 7.222 18.356 ( -2.764 4.787 0.000) 5.527 18.900 ( 2.752 -4.767 0.000) 5.504 18.962 ( 0.993 -1.720 0.000) 1.987 19.718 ( -2.760 4.781 0.000) 5.520 19.919 ( -2.839 4.917 0.000) 5.678 19.920 ( 1.270 -2.199 0.000) 2.539 19.987 ( 1.305 -2.260 0.000) 2.610 20.143 ( 0.769 -1.332 0.000) 1.538 20.326 ( -0.610 1.056 0.000) 1.219 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 8.305 14.385 0.000) 16.611 3.781 ( -6.538 -11.324 0.000) 13.076 3.838 ( -2.448 -4.241 0.000) 4.897 3.986 ( 3.319 5.749 0.000) 6.638 3.998 ( 1.179 2.043 0.000) 2.359 4.138 ( -4.604 -7.974 0.000) 9.207 4.506 ( 2.231 3.863 0.000) 4.461 4.680 ( -3.801 -6.583 0.000) 7.602 4.760 ( -4.581 -7.934 0.000) 9.161 4.962 ( 4.334 7.507 0.000) 8.668 5.115 ( -2.386 -4.133 0.000) 4.772 5.283 ( 3.195 5.533 0.000) 6.390 5.341 ( 2.291 3.968 0.000) 4.582 5.352 ( -0.768 -1.331 0.000) 1.537 5.699 ( 4.475 7.751 0.000) 8.950 5.882 ( 0.991 1.716 0.000) 1.981 5.898 ( 1.755 3.040 0.000) 3.510 5.927 ( -3.254 -5.636 0.000) 6.508 5.962 ( -3.146 -5.448 0.000) 6.291 6.127 ( -6.314 -10.936 0.000) 12.628 6.159 ( -6.958 -12.052 0.000) 13.917 6.970 ( 16.291 28.218 0.000) 32.583 7.039 ( 3.678 6.371 0.000) 7.356 7.243 ( 1.619 2.804 0.000) 3.238 7.528 ( -2.219 -3.844 0.000) 4.438 7.692 ( -6.109 -10.581 0.000) 12.218 7.845 ( -0.061 -0.106 0.000) 0.122 8.055 ( -0.398 -0.690 0.000) 0.796 8.142 ( -2.749 -4.761 0.000) 5.497 8.462 ( 2.292 3.970 0.000) 4.584 8.581 ( -2.397 -4.151 0.000) 4.794 8.683 ( -0.971 -1.682 0.000) 1.942 9.050 ( 4.893 8.475 0.000) 9.786 9.068 ( 1.738 3.011 0.000) 3.476 9.252 ( -1.700 -2.945 0.000) 3.400 9.426 ( 2.753 4.769 0.000) 5.507 9.584 ( 13.918 24.107 0.000) 27.836 9.738 ( 1.995 3.455 0.000) 3.990 9.870 ( 0.784 1.358 0.000) 1.568 9.903 ( 0.176 0.305 0.000) 0.353 9.946 ( 1.335 2.313 0.000) 2.671 9.998 ( -2.437 -4.221 0.000) 4.874 10.063 ( -1.834 -3.176 0.000) 3.668 10.122 ( -8.732 -15.124 0.000) 17.464 10.375 ( -4.331 -7.501 0.000) 8.662 10.500 ( 1.100 1.905 0.000) 2.200 10.601 ( -2.452 -4.246 0.000) 4.903 10.918 ( 4.409 7.637 0.000) 8.818 10.999 ( 1.747 3.026 0.000) 3.494 11.304 ( -3.095 -5.361 0.000) 6.191 11.440 ( -3.978 -6.891 0.000) 7.957 11.460 ( 2.035 3.525 0.000) 4.071 11.521 ( -0.178 -0.309 0.000) 0.357 11.654 ( -1.848 -3.201 0.000) 3.696 11.794 ( 1.280 2.218 0.000) 2.561 11.908 ( -0.475 -0.823 0.000) 0.950 11.976 ( -4.010 -6.945 0.000) 8.019 12.042 ( 2.504 4.336 0.000) 5.007 12.262 ( -2.595 -4.495 0.000) 5.190 12.288 ( -4.165 -7.215 0.000) 8.331 13.256 ( 2.653 4.596 0.000) 5.307 13.335 ( 0.234 0.406 0.000) 0.469 13.756 ( -3.276 -5.674 0.000) 6.552 14.183 ( 1.166 2.019 0.000) 2.332 14.265 ( -1.449 -2.510 0.000) 2.898 14.390 ( -0.055 -0.095 0.000) 0.110 15.614 ( 3.807 6.595 0.000) 7.615 15.756 ( -2.002 -3.468 0.000) 4.004 15.806 ( 1.561 2.703 0.000) 3.121 15.888 ( -1.782 -3.086 0.000) 3.563 16.191 ( 0.020 0.035 0.000) 0.041 16.307 ( 1.787 3.095 0.000) 3.574 16.358 ( -0.278 -0.482 0.000) 0.556 16.550 ( 2.111 3.657 0.000) 4.222 16.628 ( 0.766 1.327 0.000) 1.532 16.761 ( -0.288 -0.498 0.000) 0.575 16.838 ( 1.111 1.925 0.000) 2.223 17.137 ( -4.825 -8.358 0.000) 9.651 17.855 ( 2.342 4.056 0.000) 4.684 18.021 ( 1.317 2.282 0.000) 2.635 18.169 ( -6.776 -11.737 0.000) 13.553 18.506 ( 4.310 7.466 0.000) 8.621 18.745 ( 4.919 8.520 0.000) 9.838 18.988 ( -7.078 -12.259 0.000) 14.156 19.803 ( 2.143 3.711 0.000) 4.285 19.850 ( 1.264 2.190 0.000) 2.529 19.972 ( -2.635 -4.563 0.000) 5.269 19.991 ( 3.303 5.720 0.000) 6.605 20.110 ( -1.401 -2.426 0.000) 2.802 20.342 ( -1.252 -2.168 0.000) 2.503 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 -0.000 45.772) 45.772 1.017 ( 0.000 -0.000 45.772) 45.772 1.759 ( 0.000 0.000 79.986) 79.986 2.805 ( -0.000 0.000 -33.877) 33.877 2.805 ( -0.000 -0.000 -33.877) 33.877 4.153 ( 0.000 -0.000 17.529) 17.529 4.153 ( -0.000 -0.000 17.529) 17.529 4.658 ( 0.000 0.000 -5.690) 5.690 4.658 ( 0.000 -0.000 -5.690) 5.690 4.979 ( 0.000 0.000 -59.829) 59.829 5.049 ( 0.000 0.000 5.666) 5.666 5.237 ( 0.000 0.000 -1.704) 1.704 5.880 ( 0.000 0.000 4.366) 4.366 5.880 ( 0.000 0.000 2.811) 2.811 5.880 ( 0.000 0.000 2.811) 2.811 6.036 ( 0.000 -0.000 -1.853) 1.853 6.036 ( 0.000 -0.000 -1.853) 1.853 6.108 ( -0.000 -0.000 1.204) 1.204 6.108 ( 0.000 -0.000 1.204) 1.204 6.127 ( -0.000 0.000 1.339) 1.339 6.127 ( 0.000 0.000 1.339) 1.339 6.430 ( -0.000 -0.000 -14.487) 14.487 7.021 ( -0.000 0.000 13.487) 13.487 7.550 ( 0.000 0.000 14.273) 14.273 8.071 ( 0.000 0.000 -27.394) 27.394 8.149 ( 0.000 0.000 10.264) 10.264 8.474 ( -0.000 0.000 10.263) 10.263 8.497 ( -0.000 0.000 8.123) 8.123 8.897 ( 0.000 -0.000 2.369) 2.369 8.936 ( 0.000 -0.000 0.486) 0.486 8.936 ( -0.000 0.000 0.486) 0.486 8.966 ( 0.000 0.000 1.937) 1.937 8.999 ( 0.000 -0.000 -1.605) 1.605 8.999 ( 0.000 -0.000 -1.605) 1.605 9.710 ( 0.000 0.000 -0.829) 0.829 9.746 ( 0.000 0.000 2.080) 2.080 9.746 ( 0.000 0.000 2.080) 2.080 9.793 ( -0.000 0.000 -0.167) 0.167 9.793 ( 0.000 0.000 -0.167) 0.167 10.079 ( -0.000 0.000 3.591) 3.591 10.079 ( 0.000 0.000 3.591) 3.591 10.114 ( 0.000 -0.000 1.864) 1.864 10.114 ( 0.000 0.000 1.864) 1.864 10.486 ( 0.000 0.000 0.343) 0.343 10.486 ( 0.000 -0.000 0.343) 0.343 10.529 ( 0.000 -0.000 1.558) 1.558 10.529 ( 0.000 0.000 1.558) 1.558 10.543 ( 0.000 0.000 -19.643) 19.643 11.453 ( 0.000 -0.000 -5.315) 5.315 11.453 ( 0.000 0.000 -5.315) 5.315 11.547 ( -0.000 0.000 21.976) 21.976 11.644 ( 0.000 0.000 24.481) 24.481 11.726 ( 0.000 0.000 -14.752) 14.752 11.726 ( -0.000 0.000 -14.752) 14.752 12.300 ( 0.000 0.000 -2.587) 2.587 12.300 ( 0.000 -0.000 -2.587) 2.587 12.327 ( 0.000 0.000 -5.499) 5.499 12.327 ( 0.000 -0.000 -5.499) 5.499 12.570 ( -0.000 0.000 -16.537) 16.537 12.787 ( 0.000 -0.000 -19.604) 19.604 13.197 ( 0.000 -0.000 11.865) 11.865 13.197 ( 0.000 -0.000 11.865) 11.865 13.267 ( 0.000 0.000 9.100) 9.100 13.267 ( 0.000 0.000 9.100) 9.100 14.199 ( 0.000 -0.000 2.706) 2.706 14.286 ( 0.000 -0.000 -0.995) 0.995 15.514 ( 0.000 0.000 1.908) 1.908 15.514 ( -0.000 0.000 1.908) 1.908 15.596 ( -0.000 0.000 4.712) 4.712 15.598 ( 0.000 -0.000 5.525) 5.525 15.680 ( 0.000 -0.000 -3.830) 3.830 15.680 ( 0.000 0.000 -3.830) 3.830 15.811 ( 0.000 0.000 -3.230) 3.230 15.865 ( -0.000 0.000 -4.221) 4.221 17.014 ( 0.000 -0.000 -0.029) 0.029 17.014 ( 0.000 0.000 -0.029) 0.029 17.123 ( 0.000 0.000 -4.239) 4.239 17.123 ( 0.000 -0.000 -4.239) 4.239 17.879 ( 0.000 -0.000 3.353) 3.353 17.879 ( 0.000 0.000 3.353) 3.353 17.957 ( 0.000 -0.000 0.219) 0.219 17.957 ( -0.000 -0.000 0.219) 0.219 19.429 ( -0.000 0.000 0.263) 0.263 19.429 ( -0.000 -0.000 0.263) 0.263 19.453 ( 0.000 -0.000 -0.596) 0.596 19.453 ( 0.000 -0.000 -0.596) 0.596 19.543 ( -0.000 0.000 8.747) 8.747 20.074 ( 0.000 -0.000 -11.524) 11.524 20.973 ( 0.000 -0.000 7.396) 7.396 21.253 ( 0.000 0.000 -3.770) 3.770 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 20.101 11.605 31.973) 39.509 1.286 ( 20.688 11.944 35.901) 43.123 2.416 ( 43.891 25.340 60.501) 78.923 2.900 ( 8.042 4.643 -32.012) 33.331 2.905 ( 8.090 4.671 -36.427) 37.605 4.217 ( 5.477 3.162 16.210) 17.400 4.285 ( 11.009 6.356 17.046) 21.265 4.701 ( 3.630 2.096 -5.934) 7.265 4.873 ( 17.000 9.815 -6.059) 20.543 5.045 ( -0.438 -0.253 5.657) 5.680 5.161 ( 12.388 7.152 -44.653) 46.889 5.242 ( 0.284 0.164 -1.774) 1.804 5.782 ( -2.342 -1.352 -5.904) 6.494 5.841 ( -14.565 -8.409 -1.342) 16.872 5.883 ( -2.097 -1.210 1.871) 3.059 5.906 ( -11.928 -6.887 1.795) 13.890 5.935 ( -9.693 -5.596 2.081) 11.384 5.976 ( -4.783 -2.761 2.575) 6.093 6.024 ( 1.252 0.723 0.877) 1.691 6.043 ( -6.836 -3.947 -0.662) 7.921 6.077 ( -1.044 -0.603 1.369) 1.824 6.541 ( 8.134 4.696 -8.137) 12.427 7.053 ( 2.140 1.235 12.430) 12.673 7.467 ( -2.722 -1.571 15.532) 15.847 8.031 ( -4.026 -2.325 -26.354) 26.761 8.177 ( 2.011 1.161 7.549) 7.899 8.408 ( -7.621 -4.400 4.884) 10.064 8.419 ( -6.129 -3.539 6.909) 9.891 8.555 ( -18.861 -10.889 4.553) 22.249 8.627 ( -15.000 -8.660 3.476) 17.666 8.849 ( -5.945 -3.432 0.241) 6.869 8.943 ( -11.595 -6.695 -6.537) 14.900 8.970 ( -5.379 -3.105 -3.853) 7.309 9.052 ( -1.830 -1.057 -10.052) 10.272 9.490 ( -12.302 -7.103 1.671) 14.304 9.497 ( -9.974 -5.759 6.791) 13.370 9.737 ( -2.534 -1.463 1.605) 3.338 9.766 ( -1.974 -1.140 0.567) 2.349 9.819 ( -1.195 -0.690 6.734) 6.874 9.917 ( -1.832 -1.058 14.998) 15.147 9.962 ( 4.559 2.632 13.595) 14.579 10.155 ( 4.450 2.569 4.987) 7.161 10.195 ( 2.716 1.568 5.781) 6.577 10.431 ( -4.120 -2.379 3.389) 5.841 10.502 ( 1.541 0.890 3.166) 3.632 10.750 ( 10.700 6.178 -8.281) 14.874 10.809 ( 16.021 9.250 -20.169) 27.368 10.896 ( 12.414 7.167 -21.347) 25.713 11.328 ( -7.878 -4.548 3.245) 9.658 11.409 ( -9.167 -5.293 16.084) 19.255 11.422 ( -2.859 -1.650 -5.609) 6.509 11.658 ( -4.248 -2.453 -11.596) 12.591 11.668 ( -0.152 -0.088 17.209) 17.210 11.758 ( 1.262 0.729 -7.725) 7.861 12.099 ( -8.622 -4.978 1.841) 10.125 12.282 ( -2.511 -1.450 -3.054) 4.212 12.299 ( -2.654 -1.532 -5.318) 6.138 12.323 ( 0.016 0.009 -4.832) 4.832 12.524 ( -3.897 -2.250 -15.276) 15.925 12.800 ( -5.336 -3.081 -13.880) 15.186 13.138 ( 0.085 0.049 11.739) 11.739 13.174 ( 2.761 1.594 13.333) 13.709 13.400 ( 6.382 3.685 1.503) 7.521 13.503 ( 15.364 8.870 0.337) 17.744 14.440 ( 6.257 3.613 3.090) 7.858 14.555 ( 18.536 10.702 -0.601) 21.412 15.159 ( -1.317 -0.760 8.636) 8.769 15.416 ( -11.726 -6.770 -3.184) 13.910 15.490 ( -2.019 -1.166 1.595) 2.825 15.583 ( 0.641 0.370 1.012) 1.254 15.766 ( 5.580 3.222 -0.875) 6.502 15.845 ( 2.448 1.413 -1.982) 3.452 16.116 ( 11.718 6.765 -0.732) 13.550 16.522 ( 33.098 19.109 -34.988) 51.815 16.894 ( -8.676 -5.009 0.258) 10.021 16.987 ( -1.867 -1.078 -2.069) 2.989 17.073 ( -3.286 -1.897 -8.315) 9.139 17.126 ( -0.390 -0.225 -4.871) 4.892 17.841 ( -2.464 -1.422 3.786) 4.736 17.881 ( 0.029 0.017 3.406) 3.407 17.947 ( 0.128 0.074 -0.134) 0.200 17.968 ( 1.003 0.579 0.160) 1.169 19.419 ( -0.385 -0.222 0.665) 0.800 19.431 ( 0.005 0.003 0.570) 0.570 19.469 ( 1.716 0.990 -0.441) 2.029 19.484 ( 2.195 1.267 -0.932) 2.701 19.619 ( 4.203 2.426 8.357) 9.663 20.119 ( 2.880 1.663 -10.980) 11.472 20.834 ( -23.092 -13.332 21.138) 34.027 20.908 ( -5.342 -3.084 5.726) 8.416 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 33.182 19.158 8.271) 39.198 1.870 ( 27.818 16.061 23.752) 39.949 3.156 ( 14.176 8.185 -24.324) 29.319 3.161 ( 13.651 7.881 -38.652) 41.742 3.537 ( 49.289 28.457 41.067) 70.183 4.399 ( 9.683 5.590 12.191) 16.542 4.622 ( 16.175 9.339 18.754) 26.468 4.820 ( 6.092 3.517 -5.610) 8.997 5.009 ( -2.931 -1.692 5.638) 6.576 5.199 ( -6.505 -3.756 -3.447) 8.265 5.293 ( -1.279 -0.739 -6.927) 7.083 5.326 ( 4.810 2.777 -5.853) 8.069 5.468 ( -3.228 -1.863 2.551) 4.516 5.499 ( -18.913 -10.920 4.066) 22.214 5.687 ( -7.281 -4.204 -0.080) 8.408 5.698 ( -12.492 -7.212 0.362) 14.429 5.743 ( -9.358 -5.403 -0.249) 10.809 5.928 ( 7.244 4.183 -8.405) 11.858 6.014 ( -0.878 -0.507 -2.075) 2.309 6.019 ( 3.888 2.245 -2.139) 4.973 6.324 ( 22.820 13.175 -14.692) 30.170 6.761 ( 9.916 5.725 -8.901) 14.503 7.056 ( -3.848 -2.222 10.055) 10.993 7.468 ( 2.586 1.493 8.178) 8.707 7.804 ( -16.834 -9.719 -19.206) 27.326 7.881 ( -28.555 -16.486 4.501) 33.278 8.116 ( -18.997 -10.968 -12.768) 25.381 8.243 ( -1.024 -0.591 9.336) 9.410 8.293 ( -11.885 -6.862 -2.547) 13.958 8.426 ( -4.510 -2.604 3.356) 6.195 8.485 ( -11.791 -6.807 -5.083) 14.533 8.651 ( -6.774 -3.911 -4.559) 9.054 8.936 ( -1.783 -1.029 4.000) 4.499 9.047 ( 2.003 1.157 -8.457) 8.768 9.253 ( -6.759 -3.902 10.988) 13.478 9.327 ( -5.761 -3.326 2.497) 7.105 9.648 ( -5.576 -3.219 6.261) 8.981 9.726 ( -0.998 -0.576 1.971) 2.283 9.777 ( -1.208 -0.698 5.640) 5.810 9.938 ( 0.485 0.280 16.174) 16.184 10.140 ( 4.671 2.697 13.626) 14.655 10.262 ( -0.370 -0.214 7.718) 7.730 10.277 ( 4.959 2.863 1.243) 5.860 10.353 ( 2.947 1.701 6.346) 7.201 10.545 ( 2.406 1.389 3.176) 4.220 10.870 ( -0.951 -0.549 -6.595) 6.686 10.925 ( -0.526 -0.304 -23.963) 23.970 11.129 ( -8.707 -5.027 9.485) 13.823 11.194 ( -8.716 -5.032 9.968) 14.165 11.209 ( 2.630 1.519 -6.551) 7.221 11.402 ( 6.575 3.796 -18.541) 20.035 11.570 ( -1.613 -0.931 -9.087) 9.276 11.631 ( -2.699 -1.558 16.984) 17.268 11.780 ( 0.902 0.521 -7.120) 7.196 11.928 ( -6.663 -3.847 0.942) 7.752 12.168 ( -6.565 -3.790 -2.000) 7.840 12.200 ( -5.615 -3.242 -6.037) 8.859 12.335 ( 0.754 0.435 -5.065) 5.140 12.409 ( -5.276 -3.046 -11.623) 13.122 12.646 ( -6.439 -3.718 -9.788) 12.292 13.180 ( 3.474 2.006 16.114) 16.606 13.308 ( 7.628 4.404 9.163) 12.710 13.494 ( 1.787 1.032 -0.285) 2.083 13.916 ( 18.715 10.805 -9.997) 23.811 14.422 ( -4.490 -2.593 7.782) 9.351 14.798 ( -3.743 -2.161 -5.719) 7.168 15.265 ( 5.408 3.122 5.218) 8.137 15.368 ( 10.575 6.105 0.260) 12.214 15.468 ( 1.242 0.717 4.290) 4.523 15.658 ( 5.766 3.329 -2.030) 6.961 15.905 ( 2.545 1.469 -0.051) 2.939 15.908 ( 6.521 3.765 -0.160) 7.532 16.282 ( 1.045 0.604 5.620) 5.749 16.714 ( -4.580 -2.644 -0.483) 5.311 16.768 ( -4.973 -2.871 -1.490) 5.932 16.985 ( -2.638 -1.523 -7.143) 7.765 17.081 ( -3.705 -2.139 -4.882) 6.492 17.114 ( 7.436 4.293 -33.367) 34.454 17.802 ( -0.219 -0.126 4.922) 4.928 17.874 ( -0.012 -0.007 2.558) 2.558 18.012 ( 2.951 1.704 0.099) 3.409 18.021 ( 6.568 3.792 -0.538) 7.603 19.402 ( -3.884 -2.242 3.795) 5.875 19.413 ( -0.418 -0.241 0.928) 1.046 19.520 ( 2.349 1.356 1.495) 3.097 19.549 ( 3.387 1.956 -1.105) 4.064 19.685 ( 2.128 1.229 9.136) 9.461 20.160 ( 0.070 0.040 -9.670) 9.670 20.442 ( -10.516 -6.071 18.335) 21.991 20.743 ( -8.296 -4.790 2.158) 9.820 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 28.279 16.327 14.848) 35.872 2.604 ( 31.967 18.456 -0.472) 36.915 3.523 ( 16.831 9.717 -17.028) 25.839 3.535 ( 18.345 10.591 -33.771) 39.865 4.546 ( 14.331 8.274 8.036) 18.396 4.656 ( 22.140 12.782 17.562) 31.015 4.764 ( -13.244 -7.646 1.016) 15.327 4.839 ( -10.252 -5.919 3.167) 12.254 4.877 ( -7.529 -4.347 -3.441) 9.350 5.050 ( -4.014 -2.318 6.509) 7.991 5.082 ( 0.868 0.501 11.139) 11.184 5.138 ( 1.077 0.622 9.669) 9.749 5.301 ( -12.096 -6.984 -2.943) 14.274 5.319 ( 5.155 2.976 1.520) 6.143 5.489 ( -4.649 -2.684 6.302) 8.278 5.589 ( -3.499 -2.020 3.566) 5.389 6.002 ( 0.807 0.466 3.055) 3.194 6.033 ( 2.073 1.197 6.514) 6.940 6.039 ( 15.977 9.224 -3.562) 18.789 6.179 ( 13.687 7.902 -6.413) 17.056 6.789 ( -13.120 -7.575 3.520) 15.553 7.009 ( 3.422 1.976 -5.628) 6.876 7.027 ( 31.051 17.927 -31.244) 47.558 7.258 ( -18.256 -10.540 0.245) 21.082 7.300 ( -24.433 -14.106 -9.511) 29.773 7.469 ( -26.814 -15.481 -9.657) 32.434 7.607 ( 7.871 4.545 4.610) 10.192 8.128 ( -3.001 -1.733 -7.630) 8.380 8.171 ( -16.629 -9.601 5.059) 19.857 8.260 ( -1.009 -0.582 -5.478) 5.601 8.418 ( 3.417 1.973 1.570) 4.247 8.623 ( 1.792 1.034 -2.817) 3.495 8.897 ( -0.821 -0.474 7.262) 7.323 9.146 ( 4.825 2.785 -10.624) 11.996 9.184 ( -0.145 -0.084 16.537) 16.538 9.221 ( -1.725 -0.996 0.135) 1.996 9.483 ( -7.298 -4.213 9.210) 12.483 9.712 ( -1.115 -0.644 1.727) 2.154 9.777 ( 0.567 0.327 3.144) 3.212 9.876 ( -4.594 -2.652 12.143) 13.251 10.122 ( -4.690 -2.708 6.580) 8.521 10.197 ( -1.700 -0.982 7.628) 7.877 10.367 ( 2.560 1.478 -2.802) 4.073 10.503 ( 3.738 2.158 16.024) 16.595 10.609 ( 2.198 1.269 -0.628) 2.615 10.723 ( -10.276 -5.933 0.191) 11.868 10.862 ( -4.179 -2.413 -15.344) 16.085 10.920 ( -10.708 -6.182 7.801) 14.620 11.053 ( -1.401 -0.809 7.258) 7.436 11.127 ( -4.367 -2.521 -1.619) 5.296 11.392 ( -5.466 -3.156 -10.000) 11.825 11.555 ( -3.547 -2.048 15.184) 15.727 11.694 ( -0.905 -0.523 -8.585) 8.649 11.779 ( -2.039 -1.177 -4.467) 5.050 11.831 ( 4.104 2.369 -16.089) 16.773 12.021 ( -4.503 -2.600 0.078) 5.201 12.053 ( -6.457 -3.728 -7.921) 10.878 12.302 ( -3.507 -2.025 -6.500) 7.659 12.351 ( 0.556 0.321 -4.811) 4.854 12.536 ( -2.451 -1.415 -10.663) 11.033 13.293 ( 5.801 3.349 20.372) 21.445 13.503 ( 8.889 5.132 2.922) 10.672 13.527 ( 2.135 1.233 3.545) 4.318 14.290 ( -6.728 -3.885 4.983) 9.230 14.301 ( 11.288 6.517 -15.607) 20.334 14.603 ( -7.180 -4.145 -7.652) 11.282 15.334 ( 0.916 0.529 6.459) 6.545 15.466 ( 1.893 1.093 4.459) 4.966 15.720 ( 11.427 6.597 -1.397) 13.268 15.796 ( 4.871 2.812 -2.340) 6.092 15.965 ( 2.483 1.434 1.948) 3.467 16.056 ( 5.172 2.986 -0.855) 6.033 16.223 ( -2.606 -1.505 8.323) 8.851 16.636 ( -4.811 -2.778 -1.382) 5.725 16.661 ( -2.090 -1.207 1.109) 2.656 16.927 ( -1.703 -0.983 -9.077) 9.287 16.958 ( -6.448 -3.723 -3.421) 8.194 17.171 ( -1.653 -0.955 -23.705) 23.782 17.839 ( 2.886 1.666 7.581) 8.282 17.899 ( 1.978 1.142 2.958) 3.737 18.114 ( 6.049 3.492 1.178) 7.083 18.248 ( 12.649 7.303 -2.530) 14.823 19.217 ( -11.270 -6.506 12.172) 17.818 19.377 ( -3.391 -1.958 0.208) 3.921 19.575 ( 2.305 1.331 2.825) 3.881 19.639 ( 4.241 2.448 -1.024) 5.003 19.764 ( 4.741 2.737 3.779) 6.652 20.122 ( -2.677 -1.545 -7.690) 8.287 20.281 ( -4.801 -2.772 8.474) 10.127 20.542 ( -8.644 -4.991 -0.771) 10.011 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 26.312 15.191 7.628) 31.326 3.301 ( 27.522 15.890 -3.110) 31.931 3.910 ( 15.316 8.843 -8.544) 19.641 3.993 ( 19.945 11.515 -23.861) 33.162 4.327 ( -22.378 -12.920 1.686) 25.895 4.365 ( -14.493 -8.367 1.208) 16.778 4.524 ( -11.195 -6.464 -4.075) 13.554 4.545 ( -11.367 -6.563 -2.067) 13.288 4.774 ( -13.507 -7.798 -1.547) 15.673 4.877 ( -12.181 -7.033 -10.575) 17.598 5.180 ( 5.601 3.234 1.429) 6.623 5.338 ( 8.952 5.168 5.019) 11.491 5.495 ( 6.738 3.890 10.870) 13.368 5.505 ( 7.503 4.332 16.066) 18.253 5.581 ( 3.500 2.021 12.290) 12.937 5.791 ( 32.705 18.882 16.693) 41.289 6.025 ( 0.693 0.400 12.558) 12.583 6.092 ( 3.153 1.821 3.279) 4.900 6.201 ( 3.636 2.099 -6.882) 8.061 6.331 ( -8.785 -5.072 5.011) 11.314 6.509 ( -7.850 -4.532 1.451) 9.180 6.672 ( -23.909 -13.804 -0.855) 27.621 6.931 ( -17.518 -10.114 -7.454) 21.558 6.948 ( 6.875 3.969 -9.823) 12.629 7.264 ( 2.635 1.521 -8.268) 8.810 7.680 ( -18.648 -10.766 10.842) 24.108 7.693 ( 17.340 10.011 -29.097) 35.320 7.879 ( 11.542 6.664 -0.085) 13.328 8.135 ( 3.286 1.897 -9.124) 9.882 8.240 ( 1.013 0.585 -13.753) 13.802 8.568 ( 7.452 4.302 2.594) 8.987 8.618 ( -3.481 -2.010 2.004) 4.492 8.923 ( 3.587 2.071 6.248) 7.497 9.113 ( -4.542 -2.622 1.285) 5.400 9.169 ( -1.367 -0.789 15.120) 15.202 9.295 ( 0.736 0.425 -7.232) 7.282 9.400 ( 1.320 0.762 9.444) 9.566 9.670 ( 0.507 0.293 -0.270) 0.645 9.768 ( -1.860 -1.074 1.859) 2.841 9.872 ( 6.142 3.546 1.202) 7.193 9.997 ( -8.493 -4.904 6.106) 11.553 10.140 ( -2.034 -1.174 5.894) 6.345 10.383 ( -1.843 -1.064 -4.447) 4.930 10.451 ( -6.862 -3.962 11.807) 14.219 10.512 ( -5.387 -3.110 13.668) 15.017 10.539 ( -8.998 -5.195 -11.898) 15.796 10.678 ( -8.059 -4.653 8.195) 12.399 10.817 ( 1.462 0.844 -4.440) 4.750 11.082 ( 0.926 0.535 1.134) 1.559 11.088 ( 2.501 1.444 10.067) 10.473 11.265 ( -4.851 -2.801 -7.069) 9.019 11.483 ( -2.097 -1.210 8.653) 8.985 11.564 ( -5.511 -3.182 -0.418) 6.378 11.668 ( -6.106 -3.525 -1.497) 7.208 11.810 ( -7.714 -4.454 -15.028) 17.470 11.998 ( 1.349 0.779 3.135) 3.500 12.046 ( 4.202 2.426 -24.793) 25.263 12.258 ( -0.472 -0.272 -2.010) 2.082 12.357 ( -0.011 -0.006 -3.710) 3.710 12.529 ( 1.178 0.680 -10.658) 10.744 13.432 ( 5.754 3.322 20.808) 21.843 13.607 ( 4.077 2.354 7.418) 8.786 13.716 ( 9.294 5.366 -1.309) 10.812 14.117 ( -7.482 -4.320 3.079) 9.171 14.241 ( -9.830 -5.675 -4.439) 12.188 14.685 ( 7.542 4.354 -22.826) 24.431 15.333 ( -0.532 -0.307 7.205) 7.231 15.528 ( 3.277 1.892 5.372) 6.571 15.863 ( 1.712 0.988 -2.479) 3.171 15.873 ( 1.920 1.109 -1.175) 2.509 15.978 ( -1.164 -0.672 3.249) 3.516 16.112 ( 0.056 0.033 -0.880) 0.883 16.275 ( 6.160 3.556 5.866) 9.220 16.561 ( -1.861 -1.074 -0.662) 2.248 16.581 ( -4.632 -2.674 2.431) 5.874 16.813 ( -5.175 -2.988 -1.000) 6.058 16.928 ( 1.920 1.109 -13.494) 13.675 17.095 ( -4.084 -2.358 -18.932) 19.511 17.903 ( 2.058 1.188 9.722) 10.008 17.947 ( 1.735 1.002 3.275) 3.839 18.307 ( 10.563 6.099 5.765) 13.491 18.584 ( 15.518 8.959 -3.571) 18.271 18.918 ( -13.799 -7.967 13.464) 20.860 19.228 ( -9.574 -5.527 -1.666) 11.180 19.621 ( 1.505 0.869 2.580) 3.110 19.734 ( 3.418 1.974 -1.614) 4.264 19.890 ( 5.691 3.286 1.597) 6.763 20.081 ( 0.025 0.014 -4.895) 4.895 20.176 ( -4.570 -2.639 3.903) 6.564 20.350 ( -7.651 -4.417 -1.900) 9.037 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -0.000 -0.000 2.969) 2.969 3.806 ( 0.000 0.000 4.336) 4.336 3.806 ( -0.000 -0.000 -0.927) 0.927 3.965 ( 0.000 0.000 -2.324) 2.324 4.199 ( 0.000 0.000 -5.288) 5.288 4.324 ( -0.000 -0.000 -13.445) 13.445 4.452 ( -0.000 -0.000 -6.720) 6.720 4.464 ( 0.000 0.000 -2.754) 2.754 4.466 ( 0.000 0.000 -0.833) 0.833 4.589 ( 0.000 0.000 -18.319) 18.319 5.243 ( 0.000 0.000 3.369) 3.369 5.429 ( 0.000 0.000 0.875) 0.875 5.577 ( 0.000 0.000 25.075) 25.075 5.740 ( -0.000 -0.000 6.189) 6.189 5.746 ( 0.000 0.000 9.540) 9.540 5.870 ( 0.000 0.000 9.733) 9.733 6.039 ( 0.000 0.000 -3.679) 3.679 6.078 ( 0.000 0.000 18.611) 18.611 6.241 ( 0.000 0.000 -5.100) 5.100 6.304 ( -0.000 -0.000 -2.914) 2.914 6.371 ( 0.000 0.000 5.440) 5.440 6.696 ( 0.000 0.000 -5.203) 5.203 6.794 ( -0.000 -0.000 4.346) 4.346 6.830 ( 0.000 0.000 6.004) 6.004 7.167 ( 0.000 0.000 -8.204) 8.204 7.484 ( -0.000 -0.000 2.119) 2.119 7.857 ( 0.000 0.000 -18.831) 18.831 8.147 ( -0.000 -0.000 -5.897) 5.897 8.162 ( 0.000 0.000 -19.762) 19.762 8.319 ( 0.000 0.000 -11.355) 11.355 8.494 ( 0.000 0.000 8.629) 8.629 8.646 ( 0.000 0.000 3.553) 3.553 8.994 ( 0.000 0.000 4.664) 4.664 9.015 ( 0.000 0.000 5.954) 5.954 9.218 ( 0.000 0.000 1.043) 1.043 9.293 ( 0.000 0.000 -4.499) 4.499 9.465 ( 0.000 0.000 7.021) 7.021 9.687 ( 0.000 0.000 -2.345) 2.345 9.689 ( 0.000 0.000 11.568) 11.568 9.795 ( 0.000 0.000 4.172) 4.172 10.132 ( 0.000 0.000 -6.949) 6.949 10.143 ( 0.000 0.000 5.105) 5.105 10.186 ( -0.000 -0.000 -10.439) 10.439 10.369 ( -0.000 -0.000 15.961) 15.961 10.422 ( 0.000 0.000 -5.868) 5.868 10.436 ( 0.000 0.000 14.090) 14.090 10.583 ( -0.000 -0.000 9.969) 9.969 10.849 ( 0.000 0.000 -6.569) 6.569 11.120 ( 0.000 0.000 12.081) 12.081 11.130 ( -0.000 -0.000 6.345) 6.345 11.185 ( 0.000 0.000 -5.349) 5.349 11.468 ( 0.000 0.000 6.857) 6.857 11.497 ( 0.000 0.000 -5.272) 5.272 11.576 ( -0.000 -0.000 -2.796) 2.796 11.692 ( 0.000 0.000 -12.045) 12.045 12.022 ( 0.000 0.000 4.871) 4.871 12.095 ( 0.000 0.000 -28.047) 28.047 12.257 ( 0.000 0.000 -0.837) 0.837 12.356 ( 0.000 0.000 -3.233) 3.233 12.551 ( 0.000 0.000 -10.673) 10.673 13.516 ( 0.000 0.000 23.879) 23.879 13.668 ( 0.000 0.000 4.898) 4.898 13.882 ( 0.000 0.000 -3.006) 3.006 14.006 ( -0.000 -0.000 3.069) 3.069 14.064 ( -0.000 -0.000 -2.954) 2.954 14.778 ( 0.000 0.000 -24.689) 24.689 15.325 ( 0.000 0.000 7.430) 7.430 15.581 ( 0.000 0.000 3.972) 3.972 15.861 ( 0.000 0.000 0.509) 0.509 15.894 ( 0.000 0.000 -0.616) 0.616 15.966 ( 0.000 0.000 1.819) 1.819 16.105 ( 0.000 0.000 -0.610) 0.610 16.397 ( 0.000 0.000 4.918) 4.918 16.482 ( 0.000 0.000 1.581) 1.581 16.539 ( 0.000 0.000 -0.247) 0.247 16.749 ( 0.000 0.000 0.697) 0.697 16.995 ( 0.000 0.000 -10.805) 10.805 17.005 ( -0.000 -0.000 -22.407) 22.407 17.927 ( 0.000 0.000 9.961) 9.961 17.969 ( 0.000 0.000 3.302) 3.302 18.574 ( 0.000 0.000 12.795) 12.795 18.614 ( -0.000 -0.000 8.734) 8.734 18.922 ( 0.000 0.000 -2.293) 2.293 18.960 ( -0.000 -0.000 -4.208) 4.208 19.639 ( 0.000 0.000 2.405) 2.405 19.776 ( 0.000 0.000 -2.465) 2.465 19.990 ( 0.000 0.000 1.489) 1.489 20.091 ( -0.000 -0.000 2.362) 2.362 20.112 ( 0.000 0.000 -2.703) 2.703 20.228 ( -0.000 -0.000 -2.401) 2.401 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 18.932 32.790 13.233) 40.109 1.677 ( 14.510 25.132 27.026) 39.656 3.060 ( 6.499 11.257 -28.667) 31.476 3.090 ( 7.708 13.350 -37.844) 40.863 3.231 ( 28.603 49.542 46.584) 73.774 4.329 ( 4.569 7.914 13.515) 16.315 4.537 ( 10.101 17.496 18.979) 27.719 4.773 ( 2.765 4.788 -6.463) 8.506 5.029 ( -0.862 -1.494 5.986) 6.229 5.218 ( 11.441 19.817 -7.607) 24.114 5.242 ( -0.290 -0.503 -1.755) 1.848 5.283 ( -0.474 -0.820 -14.038) 14.070 5.553 ( -9.399 -16.279 2.080) 18.913 5.638 ( -10.611 -18.378 4.452) 21.683 5.710 ( -6.251 -10.827 -0.379) 12.508 5.791 ( -5.619 -9.732 -2.288) 11.468 5.793 ( -6.733 -11.661 -0.448) 13.472 5.881 ( 4.005 6.937 -15.014) 17.017 5.943 ( -0.610 -1.057 1.214) 1.722 6.081 ( 1.536 2.660 -2.904) 4.227 6.203 ( 9.127 15.808 -4.279) 18.748 6.698 ( 5.765 9.985 -8.325) 14.221 7.079 ( -0.052 -0.089 10.685) 10.685 7.435 ( -1.174 -2.034 10.054) 10.324 7.899 ( -7.737 -13.400 -20.748) 25.882 8.082 ( -12.740 -22.067 -5.316) 26.029 8.230 ( 0.012 0.020 12.935) 12.935 8.297 ( -7.796 -13.502 0.489) 15.599 8.310 ( -5.082 -8.803 2.124) 10.384 8.460 ( -1.211 -2.097 2.109) 3.211 8.602 ( -10.415 -18.039 -7.086) 22.001 8.703 ( -9.802 -16.978 -13.155) 23.609 8.941 ( -0.909 -1.574 2.949) 3.464 8.964 ( -1.849 -3.203 -4.142) 5.553 9.290 ( -5.783 -10.017 8.194) 14.175 9.376 ( -3.024 -5.237 3.646) 7.061 9.661 ( -1.286 -2.227 4.515) 5.196 9.745 ( -2.801 -4.851 8.745) 10.385 9.808 ( 0.088 0.152 -1.735) 1.744 10.013 ( 3.311 5.735 15.652) 16.995 10.026 ( 4.228 7.323 17.396) 19.342 10.229 ( 2.681 4.643 4.017) 6.699 10.267 ( 1.832 3.173 8.311) 9.082 10.344 ( -2.717 -4.706 4.201) 6.868 10.526 ( 1.073 1.859 2.465) 3.268 10.907 ( 0.296 0.513 -22.931) 22.938 11.015 ( 4.684 8.113 -8.836) 12.878 11.044 ( 5.044 8.737 -13.758) 17.060 11.191 ( -3.551 -6.151 2.499) 7.529 11.250 ( -4.090 -7.085 11.044) 13.744 11.405 ( -1.076 -1.864 -3.965) 4.512 11.544 ( -3.527 -6.109 -8.336) 10.920 11.656 ( -1.497 -2.593 15.555) 15.840 11.756 ( -0.149 -0.257 -8.143) 8.149 12.015 ( -1.967 -3.408 0.135) 3.937 12.219 ( -3.644 -6.312 -7.407) 10.392 12.240 ( -2.547 -4.411 -5.975) 7.851 12.281 ( -0.818 -1.417 -0.699) 1.780 12.469 ( -2.004 -3.470 -11.888) 12.545 12.684 ( -4.259 -7.377 -11.015) 13.924 13.142 ( 1.305 2.260 17.934) 18.123 13.237 ( 2.063 3.573 8.684) 9.614 13.629 ( 6.385 11.059 -4.236) 13.454 13.676 ( 7.005 12.133 -4.196) 14.624 14.448 ( -1.961 -3.396 7.985) 8.896 14.797 ( 2.498 4.326 -4.316) 6.602 15.260 ( 5.749 9.958 3.707) 12.081 15.325 ( 2.861 4.956 0.621) 5.756 15.433 ( -1.117 -1.934 3.537) 4.184 15.612 ( 0.862 1.492 -1.956) 2.607 15.864 ( 3.864 6.693 0.854) 7.775 15.927 ( 2.923 5.062 -1.010) 5.932 16.258 ( 2.516 4.359 3.905) 6.370 16.702 ( -3.529 -6.112 -0.396) 7.069 16.881 ( -0.317 -0.549 -10.115) 10.135 16.941 ( -1.932 -3.346 1.048) 4.003 17.055 ( 4.051 7.017 -35.184) 36.105 17.115 ( -1.233 -2.135 -5.387) 5.925 17.801 ( -0.909 -1.574 4.301) 4.669 17.908 ( 1.139 1.973 4.006) 4.609 17.939 ( 0.605 1.047 -1.072) 1.616 18.015 ( 2.253 3.902 -0.227) 4.511 19.398 ( -1.007 -1.744 1.846) 2.732 19.453 ( -0.760 -1.316 0.842) 1.737 19.475 ( 1.529 2.649 1.083) 3.245 19.545 ( 2.206 3.821 -1.399) 4.628 19.669 ( 0.987 1.710 9.997) 10.190 20.150 ( 0.236 0.409 -9.289) 9.301 20.522 ( -7.502 -12.994 20.387) 25.313 20.797 ( -4.310 -7.465 3.092) 9.158 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 22.330 21.042 18.307) 35.728 2.365 ( 24.753 30.332 3.917) 39.346 3.333 ( 11.798 10.512 -23.803) 28.571 3.416 ( 13.035 15.275 -35.467) 40.758 4.281 ( 34.119 41.915 31.995) 62.806 4.516 ( 7.856 5.565 8.223) 12.661 4.836 ( -0.798 0.318 -1.983) 2.162 4.879 ( 1.363 1.985 11.111) 11.369 4.969 ( -5.440 -1.423 3.582) 6.667 5.089 ( -2.185 -2.911 7.198) 8.066 5.120 ( -9.758 -11.302 0.589) 14.943 5.179 ( -7.501 -13.843 -0.188) 15.745 5.269 ( -5.709 -6.880 4.564) 10.038 5.452 ( -6.792 -7.891 0.532) 10.425 5.511 ( -9.092 -7.439 -2.701) 12.054 5.609 ( -1.284 -7.101 -0.818) 7.262 5.877 ( 17.152 20.984 -2.983) 27.266 5.931 ( 2.284 -2.426 2.125) 3.952 6.015 ( 2.638 3.789 5.992) 7.564 6.171 ( 2.261 8.170 -5.320) 10.008 6.747 ( 22.158 24.492 -27.066) 42.701 6.902 ( 2.809 7.592 -9.542) 12.513 6.981 ( -3.603 -4.353 4.842) 7.442 7.352 ( -1.678 -13.453 4.730) 14.358 7.469 ( -18.719 -19.788 -5.475) 27.784 7.542 ( -19.394 -19.200 -4.596) 27.675 7.986 ( -21.372 1.560 -6.030) 22.262 8.170 ( -4.921 -4.725 -5.031) 8.477 8.248 ( 0.203 -4.200 -0.533) 4.238 8.295 ( -0.295 -4.168 0.017) 4.178 8.403 ( -8.890 -1.694 0.896) 9.094 8.515 ( 5.643 -6.921 -7.091) 11.403 8.900 ( -1.226 -2.533 3.685) 4.636 8.960 ( 8.251 -7.586 -4.875) 12.222 9.160 ( -0.222 -4.153 15.185) 15.745 9.284 ( -4.230 -0.810 1.175) 4.465 9.583 ( -7.617 -3.438 9.585) 12.717 9.673 ( 2.575 -3.070 5.069) 6.462 9.802 ( -1.037 1.413 -0.660) 1.873 10.021 ( -7.497 4.897 11.028) 14.206 10.161 ( -0.081 -0.030 10.489) 10.490 10.195 ( -1.311 -3.228 6.977) 7.798 10.316 ( 1.715 0.432 4.081) 4.448 10.425 ( 8.100 2.723 8.505) 12.057 10.574 ( 2.060 2.186 2.437) 3.868 10.839 ( -3.330 -7.031 -5.914) 9.772 10.943 ( -8.809 -0.880 1.154) 8.927 11.024 ( -2.872 -4.445 0.685) 5.337 11.114 ( -10.556 4.111 -4.375) 12.144 11.229 ( -5.372 0.542 -0.427) 5.416 11.416 ( -0.060 -3.243 -11.744) 12.184 11.487 ( 8.579 -5.823 -3.092) 10.820 11.610 ( 2.170 -2.445 5.427) 6.336 11.749 ( -0.142 -0.520 -8.683) 8.699 11.936 ( -5.825 0.850 -0.334) 5.896 12.059 ( -4.895 -7.472 -8.096) 12.056 12.133 ( -5.768 -2.220 -4.028) 7.378 12.266 ( 1.678 -4.494 -2.663) 5.487 12.386 ( -3.639 -1.891 -8.699) 9.617 12.540 ( -3.432 -6.574 -11.359) 13.565 13.224 ( 4.684 2.815 19.016) 19.786 13.325 ( 5.803 0.356 10.325) 11.849 13.714 ( -6.001 15.354 -4.514) 17.092 14.037 ( 19.846 1.629 -11.881) 23.188 14.340 ( -4.584 -5.611 6.171) 9.518 14.667 ( -7.704 -9.689 -5.373) 13.495 15.395 ( -1.523 4.867 4.826) 7.021 15.477 ( 2.695 7.825 3.139) 8.852 15.612 ( 10.608 12.701 -0.194) 16.549 15.683 ( 7.628 0.698 -2.580) 8.083 16.011 ( 1.996 7.933 0.506) 8.196 16.022 ( 2.984 6.345 0.016) 7.012 16.242 ( -2.497 -3.989 8.400) 9.629 16.600 ( -1.004 -6.345 0.552) 6.448 16.764 ( -6.899 -0.306 -3.550) 7.765 16.891 ( 0.629 -6.377 -3.154) 7.142 17.028 ( -4.809 -3.920 -5.198) 8.094 17.163 ( 1.096 -0.072 -28.464) 28.485 17.807 ( 1.885 1.416 5.645) 6.117 17.932 ( -0.917 5.216 3.391) 6.289 18.033 ( 6.366 1.944 -0.004) 6.656 18.144 ( 6.959 7.156 -1.592) 10.108 19.283 ( -6.654 -9.719 10.592) 15.841 19.411 ( -2.105 -1.219 0.647) 2.517 19.550 ( 2.987 3.022 1.676) 4.568 19.626 ( 1.975 4.762 -1.110) 5.273 19.712 ( 3.238 1.608 6.387) 7.339 20.124 ( -1.105 -3.121 -6.597) 7.381 20.342 ( -4.884 -3.991 9.547) 11.442 20.628 ( -6.661 -6.156 -0.257) 9.073 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 25.300 15.969 11.377) 32.008 3.073 ( 23.258 25.509 0.200) 34.521 3.672 ( 16.234 7.241 -15.721) 23.731 3.835 ( 16.031 15.910 -27.426) 35.529 4.493 ( -11.841 -11.062 1.569) 16.280 4.533 ( -14.670 -13.582 2.354) 20.130 4.606 ( -11.391 -12.905 -1.137) 17.251 4.700 ( -11.102 -7.932 -4.177) 14.269 4.849 ( -7.860 -9.830 0.756) 12.608 4.989 ( -3.030 -0.655 -5.269) 6.113 5.120 ( 1.976 0.593 1.992) 2.868 5.271 ( 3.444 6.864 8.082) 11.148 5.355 ( 9.224 -1.630 10.775) 14.278 5.393 ( 11.280 7.192 10.867) 17.235 5.518 ( 18.667 22.916 17.606) 34.403 5.602 ( 3.810 4.338 8.116) 9.960 5.936 ( 4.018 -3.915 3.738) 6.741 6.061 ( 1.398 2.454 12.775) 13.084 6.246 ( 0.468 8.218 -6.076) 10.231 6.371 ( 4.811 4.768 -2.070) 7.083 6.617 ( -11.557 -8.495 3.143) 14.683 6.857 ( -13.488 -19.340 -3.133) 23.786 6.952 ( -10.037 -7.093 -4.118) 12.962 7.076 ( -12.189 -14.497 -7.214) 20.268 7.265 ( 1.950 6.511 -6.638) 9.500 7.517 ( 20.185 23.142 -29.873) 42.841 7.828 ( -4.557 8.532 2.420) 9.971 8.017 ( -15.632 -2.694 1.577) 15.941 8.127 ( -2.647 -0.002 -3.469) 4.364 8.227 ( 0.156 -2.700 -9.884) 10.247 8.412 ( 6.635 1.525 2.921) 7.408 8.597 ( 5.875 -1.985 -2.342) 6.629 8.875 ( 1.542 -1.929 4.193) 4.867 9.078 ( 9.623 -6.760 -1.411) 11.845 9.165 ( 1.000 -1.650 2.832) 3.427 9.245 ( 1.922 2.688 2.769) 4.312 9.429 ( -3.913 -1.246 11.340) 12.061 9.701 ( 0.727 -0.030 3.252) 3.333 9.793 ( -3.011 1.173 1.193) 3.445 9.884 ( -8.690 2.487 8.310) 12.278 10.070 ( -3.344 -2.412 6.063) 7.332 10.187 ( -1.312 -0.020 8.078) 8.184 10.327 ( 1.922 -5.602 0.547) 5.948 10.472 ( -1.994 -4.892 4.334) 6.833 10.608 ( -3.342 0.898 4.817) 5.931 10.692 ( -4.996 -4.693 7.329) 10.035 10.773 ( -10.558 -2.460 -6.534) 12.657 10.902 ( -12.993 4.960 -3.467) 14.334 11.006 ( 3.280 -2.809 5.486) 6.981 11.143 ( -4.011 3.051 1.869) 5.375 11.345 ( -3.610 -0.838 -7.925) 8.749 11.473 ( -0.078 -5.463 13.926) 14.959 11.624 ( -1.292 -4.149 -4.433) 6.207 11.747 ( -5.569 -0.377 -6.054) 8.234 11.880 ( -1.931 -0.769 -13.533) 13.692 11.931 ( 2.142 -6.539 -8.232) 10.729 12.030 ( -3.031 0.425 -5.699) 6.468 12.231 ( 0.398 -4.762 -2.523) 5.404 12.336 ( 0.560 -2.712 -5.956) 6.568 12.453 ( 1.472 -6.918 -11.125) 13.184 13.348 ( 6.153 2.432 19.709) 20.790 13.449 ( 8.606 -0.932 10.477) 13.590 13.785 ( -1.902 13.019 -3.971) 13.743 14.174 ( -6.580 -7.735 3.834) 10.855 14.296 ( 4.952 -4.070 -10.761) 12.526 14.486 ( 3.134 -7.483 -10.164) 13.005 15.419 ( -1.304 5.137 4.830) 7.171 15.557 ( -1.378 8.165 2.185) 8.564 15.788 ( 5.459 0.857 -0.856) 5.592 15.875 ( 3.851 5.048 -2.756) 6.921 16.057 ( -3.677 6.006 2.100) 7.348 16.136 ( 0.382 5.181 -0.696) 5.241 16.213 ( 3.512 1.289 7.237) 8.146 16.535 ( 0.907 -5.310 0.482) 5.409 16.650 ( -5.594 -1.462 -0.217) 5.786 16.834 ( -1.185 -6.004 -3.926) 7.271 16.908 ( -2.066 -3.208 -7.573) 8.480 17.117 ( -2.576 -4.201 -21.036) 21.605 17.869 ( 2.003 2.192 8.592) 9.091 17.996 ( 0.425 7.678 3.879) 8.613 18.177 ( 7.968 2.827 2.839) 8.919 18.408 ( 13.751 7.932 -3.350) 16.224 19.011 ( -9.793 -13.414 14.874) 22.295 19.316 ( -6.306 -4.737 -1.349) 8.002 19.623 ( 1.181 3.688 2.339) 4.524 19.715 ( 2.693 4.817 -1.033) 5.615 19.816 ( 5.762 2.321 2.350) 6.642 20.075 ( -0.530 -2.075 -5.281) 5.699 20.228 ( -4.525 -3.201 4.819) 7.345 20.450 ( -7.705 -4.107 -2.227) 9.011 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 25.489 11.602 6.137) 28.670 3.669 ( 18.622 18.130 -1.197) 26.018 3.999 ( 9.677 0.330 -4.043) 10.493 4.012 ( -18.659 -15.511 2.702) 24.414 4.183 ( -8.490 -4.939 -4.821) 10.941 4.261 ( 7.490 5.475 -12.115) 15.260 4.344 ( -1.328 -7.452 -2.223) 7.888 4.495 ( -5.466 -1.687 -7.410) 9.361 4.555 ( -8.839 -7.852 -4.599) 12.686 4.760 ( -15.365 -5.149 -13.844) 21.313 5.161 ( 4.518 -5.989 1.593) 7.669 5.371 ( 5.385 -2.895 -3.558) 7.074 5.532 ( 10.381 2.359 14.155) 17.712 5.609 ( 6.586 5.344 18.479) 20.333 5.728 ( 4.682 7.756 11.878) 14.939 5.941 ( 0.160 -3.260 3.321) 4.657 6.014 ( -1.836 -2.595 9.056) 9.598 6.116 ( -2.903 -0.626 8.637) 9.134 6.253 ( -3.999 -2.527 -4.375) 6.443 6.324 ( 2.723 3.790 7.514) 8.846 6.408 ( -10.178 -9.402 3.076) 14.193 6.581 ( 15.274 16.964 9.786) 24.836 6.762 ( -6.531 -2.101 -6.415) 9.392 7.033 ( 0.189 2.196 -14.524) 14.690 7.263 ( -15.401 -2.400 0.471) 15.594 7.583 ( -9.334 3.124 5.833) 11.442 7.855 ( 3.019 5.859 -16.869) 18.111 8.054 ( 3.121 2.034 -3.887) 5.384 8.184 ( 3.719 4.605 -14.481) 15.644 8.260 ( 7.337 1.774 -10.518) 12.946 8.476 ( -1.487 -4.670 3.656) 6.114 8.703 ( 4.479 6.194 -1.567) 7.802 8.897 ( 1.438 -4.227 2.252) 5.000 9.092 ( -0.864 -2.775 -2.668) 3.945 9.136 ( 1.200 -0.838 4.707) 4.929 9.334 ( 1.860 1.841 -3.613) 4.461 9.483 ( 1.747 8.358 11.234) 14.110 9.686 ( -0.484 3.402 2.870) 4.477 9.747 ( -2.077 0.216 4.723) 5.164 9.839 ( -2.228 -0.269 5.165) 5.632 10.040 ( 1.324 2.524 2.331) 3.682 10.157 ( -0.860 0.454 3.919) 4.038 10.223 ( -4.777 -10.618 -0.118) 11.644 10.378 ( -0.468 -4.335 6.255) 7.625 10.468 ( -6.651 -3.579 -0.509) 7.570 10.543 ( -10.298 4.742 5.882) 12.773 10.585 ( -4.758 -0.608 7.233) 8.679 10.822 ( 0.061 -1.398 -8.744) 8.855 11.065 ( 3.691 -1.833 9.832) 10.661 11.176 ( 1.357 6.630 3.402) 7.574 11.271 ( -5.786 1.733 -2.315) 6.468 11.453 ( 1.791 -0.584 7.462) 7.696 11.542 ( -4.923 -0.158 -1.509) 5.152 11.624 ( -4.647 0.188 -2.597) 5.327 11.748 ( -6.072 -0.938 -11.272) 12.838 11.946 ( 3.060 -4.774 -2.056) 6.032 12.061 ( 4.037 -2.758 -21.373) 21.925 12.209 ( 2.393 -4.730 -0.696) 5.346 12.328 ( 1.605 -3.181 -4.333) 5.610 12.440 ( 5.535 -9.123 -10.446) 14.933 13.465 ( 4.489 0.006 22.006) 22.460 13.587 ( 7.248 -1.232 8.210) 11.021 13.895 ( 1.430 7.209 -3.215) 8.022 13.981 ( -4.806 -7.055 2.225) 8.821 14.185 ( -7.164 0.223 -4.298) 8.357 14.575 ( 10.718 -11.337 -17.231) 23.244 15.440 ( -3.582 7.171 3.792) 8.868 15.620 ( -0.446 6.342 0.700) 6.396 15.848 ( 1.116 -1.182 0.017) 1.625 15.899 ( -0.758 0.308 -0.818) 1.157 16.048 ( -4.451 7.189 2.175) 8.730 16.153 ( -2.697 4.571 -0.914) 5.386 16.341 ( 6.141 2.730 4.604) 8.146 16.494 ( -1.940 -4.266 2.401) 5.266 16.554 ( -2.453 -0.661 -0.405) 2.573 16.740 ( -1.382 -3.933 -0.081) 4.169 16.926 ( 4.936 -1.475 -13.550) 14.496 17.020 ( -2.747 -5.023 -18.532) 19.396 17.906 ( 0.355 1.112 10.078) 10.146 18.066 ( -2.898 8.885 2.532) 9.683 18.392 ( 13.705 2.198 9.545) 16.845 18.679 ( -5.728 -10.930 11.492) 16.862 18.769 ( 11.436 4.885 -2.073) 12.607 19.087 ( -11.686 -8.666 -3.353) 14.930 19.662 ( -0.696 3.174 2.384) 4.030 19.794 ( 0.415 3.920 -2.286) 4.556 19.941 ( 5.513 1.674 1.828) 6.044 20.083 ( 1.260 -0.664 -0.821) 1.644 20.121 ( -2.885 -2.013 0.701) 3.587 20.289 ( -6.275 -1.714 -2.924) 7.132 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 13.581 23.523 14.995) 31.027 2.997 ( 17.945 31.082 2.163) 35.956 3.562 ( 6.863 11.887 -17.395) 22.158 3.767 ( 11.062 19.161 -31.981) 38.888 4.532 ( -4.483 -7.765 1.530) 9.096 4.593 ( -10.975 -19.010 2.801) 22.129 4.644 ( -9.298 -16.105 -0.258) 18.598 4.759 ( -6.212 -10.759 -3.487) 12.903 4.860 ( -5.853 -10.137 0.255) 11.708 5.014 ( 0.484 0.838 -4.848) 4.944 5.133 ( 6.199 10.738 11.141) 16.669 5.210 ( 0.998 1.729 8.230) 8.469 5.283 ( 5.461 9.458 16.411) 19.713 5.364 ( 1.297 2.246 2.369) 3.512 5.505 ( 10.028 17.369 15.671) 25.453 5.534 ( 2.119 3.670 -1.300) 4.433 5.887 ( -0.485 -0.840 7.694) 7.755 6.065 ( 1.527 2.644 12.947) 13.302 6.306 ( 2.009 3.480 -7.559) 8.560 6.321 ( 9.236 15.997 -3.468) 18.795 6.702 ( -9.718 -16.833 6.107) 20.373 6.829 ( -6.436 -11.147 -7.380) 14.837 7.057 ( -10.942 -18.952 -5.391) 22.538 7.081 ( -8.053 -13.948 -1.324) 16.161 7.287 ( 2.458 4.257 -3.648) 6.121 7.458 ( 17.197 29.787 -27.968) 44.330 7.998 ( -2.510 -4.348 -0.148) 5.023 8.078 ( -0.227 -0.393 -3.414) 3.444 8.184 ( -3.717 -6.438 2.454) 7.828 8.192 ( -1.852 -3.208 -8.164) 8.966 8.437 ( 2.965 5.135 1.125) 6.036 8.538 ( 4.077 7.061 -8.488) 11.770 8.801 ( -2.564 -4.440 0.767) 5.184 8.866 ( -0.764 -1.323 -3.251) 3.593 9.128 ( 0.562 0.973 14.800) 14.842 9.279 ( -0.028 -0.048 -0.770) 0.772 9.479 ( -2.980 -5.162 14.083) 15.292 9.660 ( 1.058 1.832 4.149) 4.657 9.827 ( 0.789 1.367 -1.922) 2.487 9.986 ( -3.040 -5.265 2.896) 6.734 10.127 ( -2.333 -4.040 6.933) 8.356 10.199 ( -0.084 -0.145 7.605) 7.607 10.302 ( -1.709 -2.961 7.848) 8.560 10.450 ( 0.598 1.035 -1.345) 1.800 10.628 ( 1.054 1.825 4.489) 4.959 10.702 ( -3.228 -5.591 5.642) 8.574 10.831 ( -4.065 -7.041 16.237) 18.159 10.915 ( -2.889 -5.003 -6.462) 8.668 11.234 ( 0.364 0.630 2.971) 3.058 11.243 ( -0.539 -0.934 -6.681) 6.767 11.383 ( -0.695 -1.204 -1.800) 2.274 11.392 ( 0.128 0.222 -10.674) 10.677 11.528 ( -1.726 -2.990 2.495) 4.260 11.721 ( -1.710 -2.962 -9.050) 9.675 11.891 ( -4.122 -7.139 -12.226) 14.746 11.921 ( -1.437 -2.488 1.271) 3.142 12.105 ( -1.418 -2.455 -4.592) 5.396 12.172 ( -2.505 -4.339 -0.293) 5.019 12.311 ( -2.897 -5.018 -8.034) 9.905 12.401 ( -3.724 -6.449 -13.268) 15.215 13.302 ( 2.790 4.833 19.048) 19.849 13.362 ( 2.034 3.522 13.182) 13.795 13.973 ( 3.143 5.444 -7.942) 10.129 14.067 ( 3.602 6.239 -11.814) 13.838 14.194 ( -5.146 -8.914 4.205) 11.118 14.469 ( -5.031 -8.715 -4.690) 11.102 15.448 ( 1.671 2.894 5.152) 6.141 15.681 ( 1.117 1.935 -3.365) 4.039 15.692 ( 4.554 7.888 1.944) 9.314 15.861 ( 4.832 8.369 -2.903) 10.090 16.143 ( 3.045 5.275 0.569) 6.117 16.176 ( -0.586 -1.014 8.777) 8.855 16.185 ( 4.931 8.541 -0.797) 9.895 16.474 ( -3.021 -5.233 0.712) 6.085 16.738 ( -1.867 -3.234 -6.947) 7.886 16.761 ( -2.895 -5.015 1.367) 5.950 16.917 ( -3.801 -6.584 -4.360) 8.764 17.115 ( -2.479 -4.293 -22.747) 23.281 17.869 ( 2.481 4.298 7.914) 9.342 18.033 ( 2.285 3.958 7.605) 8.873 18.129 ( 4.507 7.806 -2.341) 9.313 18.309 ( 5.549 9.610 -3.031) 11.504 19.023 ( -8.711 -15.088 16.148) 23.755 19.348 ( -3.251 -5.631 -1.526) 6.679 19.636 ( 2.860 4.954 1.474) 5.907 19.732 ( 3.055 5.292 -1.946) 6.413 19.757 ( 1.890 3.274 4.567) 5.929 20.067 ( -1.138 -1.971 -5.041) 5.531 20.254 ( -2.837 -4.914 5.079) 7.616 20.502 ( -3.726 -6.454 -2.606) 7.895 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 18.077 15.970 10.546) 26.325 3.578 ( 15.751 23.368 1.877) 28.243 3.807 ( 10.597 5.902 -10.421) 15.992 4.149 ( 0.549 2.015 -9.595) 9.819 4.165 ( -5.149 -5.495 -7.415) 10.569 4.254 ( -6.319 -13.750 1.990) 15.263 4.350 ( -8.942 -12.013 -0.233) 14.977 4.546 ( -4.430 -5.816 -8.303) 11.063 4.678 ( -10.452 -5.158 -4.004) 12.324 4.941 ( -8.934 -3.125 -11.561) 14.941 5.018 ( 0.261 -11.156 -0.351) 11.165 5.241 ( 1.157 -7.639 -8.076) 11.177 5.369 ( 9.893 6.580 10.231) 15.679 5.607 ( 3.404 7.303 24.804) 26.080 5.687 ( 7.776 6.558 2.321) 10.434 5.887 ( 0.607 -0.426 8.726) 8.757 6.010 ( 5.920 8.675 11.307) 15.432 6.185 ( -5.586 -2.099 8.025) 10.000 6.256 ( 5.217 3.204 10.106) 11.816 6.350 ( -7.157 -3.302 1.841) 8.094 6.431 ( -1.944 -8.087 0.220) 8.321 6.588 ( -2.405 -0.075 9.297) 9.604 6.842 ( -2.848 0.481 -7.177) 7.737 7.012 ( 3.885 4.587 -10.813) 12.371 7.428 ( 0.714 7.819 -5.196) 9.415 7.816 ( -11.084 1.434 -0.204) 11.178 7.930 ( -0.233 7.417 -11.982) 14.094 8.025 ( -0.721 -3.709 -0.195) 3.784 8.148 ( 4.330 3.502 -6.861) 8.836 8.170 ( 3.850 -0.466 -7.779) 8.692 8.532 ( -6.313 6.885 0.214) 9.344 8.645 ( 5.928 8.247 -4.690) 11.187 8.815 ( 6.310 -4.791 -0.706) 7.954 8.916 ( 8.912 -7.289 -7.646) 13.821 9.141 ( -0.401 -0.824 -1.827) 2.044 9.294 ( 2.175 0.864 -2.844) 3.683 9.515 ( 4.444 12.291 17.614) 21.934 9.719 ( 2.655 2.228 3.964) 5.265 9.837 ( -3.316 3.427 0.200) 4.773 9.918 ( -0.509 0.405 3.462) 3.522 10.031 ( -2.443 -1.670 6.252) 6.917 10.159 ( -1.645 -4.816 2.852) 5.834 10.201 ( -4.297 -4.389 6.897) 9.236 10.408 ( -7.098 -0.238 2.245) 7.448 10.541 ( -7.381 -5.057 9.337) 12.932 10.621 ( -0.931 -3.111 6.208) 7.006 10.724 ( -2.613 -2.186 -1.021) 3.557 10.896 ( 7.011 -7.062 7.458) 12.436 11.083 ( -21.210 8.038 -8.640) 24.272 11.252 ( -3.174 7.362 4.094) 9.002 11.319 ( -0.236 -3.096 7.273) 7.908 11.392 ( 2.929 -0.044 -1.316) 3.211 11.576 ( 3.297 -0.817 -7.203) 7.964 11.706 ( 6.809 -10.236 -8.417) 14.899 11.761 ( -3.276 -4.610 -7.942) 9.750 11.866 ( -2.997 0.238 -5.744) 6.483 12.008 ( -5.604 -1.790 -3.357) 6.773 12.103 ( 1.336 -7.710 -1.634) 7.994 12.232 ( 2.067 -7.505 -7.143) 10.565 12.295 ( -0.388 -7.522 -12.514) 14.606 13.404 ( 3.559 3.179 18.901) 19.494 13.464 ( 5.824 2.164 12.619) 14.065 13.967 ( -5.691 -4.042 2.354) 7.367 14.025 ( -3.973 2.186 -4.894) 6.671 14.211 ( 5.768 -3.778 -10.299) 12.394 14.350 ( 0.526 -4.795 -7.932) 9.284 15.521 ( 1.269 5.491 4.080) 6.958 15.701 ( -1.347 4.905 -2.437) 5.640 15.802 ( 2.782 -0.258 0.389) 2.821 15.919 ( -1.248 -0.686 -1.585) 2.131 16.183 ( -1.938 5.633 2.677) 6.531 16.259 ( 3.181 3.422 3.393) 5.774 16.303 ( -1.302 10.257 -1.583) 10.460 16.443 ( 3.394 -2.952 1.906) 4.885 16.620 ( -6.115 -0.871 -1.550) 6.369 16.715 ( -0.216 -5.232 -3.097) 6.084 16.813 ( 2.092 -6.061 -7.110) 9.574 17.009 ( -3.064 -6.445 -19.366) 20.638 17.945 ( -0.312 5.462 11.183) 12.449 18.146 ( 6.918 4.282 9.953) 12.855 18.270 ( 0.858 8.848 -1.437) 9.005 18.552 ( 12.258 6.061 -3.651) 14.154 18.710 ( -7.975 -15.472 15.992) 23.637 19.168 ( -8.159 -9.974 -3.959) 13.481 19.719 ( -0.113 5.537 1.994) 5.887 19.826 ( 2.266 5.697 -0.443) 6.147 19.859 ( 5.105 2.345 1.286) 5.763 20.055 ( 0.907 -0.353 -2.747) 2.914 20.148 ( -3.516 -4.433 2.764) 6.297 20.367 ( -5.201 -4.288 -3.677) 7.679 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 2.086 -3.613 6.084) 7.377 3.762 ( 0.133 -0.231 7.473) 7.478 3.910 ( -0.861 1.490 -0.767) 1.884 4.008 ( 2.578 -4.465 -3.325) 6.135 4.068 ( -1.483 2.569 0.113) 2.968 4.166 ( 4.143 -7.175 4.717) 9.534 4.381 ( -1.241 2.150 -9.914) 10.220 4.418 ( -1.348 2.335 -7.132) 7.625 4.640 ( -2.348 4.067 -13.896) 14.669 4.703 ( -2.596 4.496 -18.469) 19.184 4.970 ( 6.824 -11.819 -0.404) 13.654 5.229 ( 5.825 -10.089 -9.893) 15.283 5.586 ( -0.440 0.762 16.484) 16.507 5.616 ( 1.571 -2.722 12.962) 13.338 5.800 ( -0.839 1.454 7.677) 7.859 5.960 ( -1.318 2.283 8.722) 9.112 5.962 ( 1.699 -2.944 -2.056) 3.973 6.076 ( -0.326 0.564 9.201) 9.225 6.163 ( 2.628 -4.553 -2.960) 6.033 6.243 ( 3.003 -5.201 11.457) 12.936 6.376 ( -0.902 1.562 23.373) 23.442 6.816 ( -4.252 7.364 -8.967) 12.358 7.004 ( -1.661 2.876 -10.617) 11.124 7.078 ( -6.036 10.454 -0.625) 12.088 7.274 ( -5.466 9.468 5.534) 12.253 7.706 ( -3.450 5.976 4.044) 7.998 7.933 ( -1.437 2.490 -9.118) 9.561 8.015 ( 2.094 -3.627 1.399) 4.416 8.154 ( 3.062 -5.304 -8.291) 10.307 8.350 ( -1.947 3.373 -13.591) 14.138 8.431 ( -1.227 2.126 3.321) 4.130 8.807 ( 1.483 -2.569 -2.191) 3.688 8.844 ( -1.631 2.826 -12.070) 12.503 8.943 ( 6.541 -11.330 -4.544) 13.849 9.121 ( -0.068 0.118 -4.529) 4.531 9.332 ( 1.116 -1.933 -7.422) 7.751 9.685 ( -4.998 8.658 8.379) 13.044 9.769 ( -3.165 5.481 4.295) 7.649 9.881 ( -4.974 8.615 10.848) 14.718 9.889 ( -3.146 5.449 8.052) 10.219 10.046 ( 1.455 -2.521 1.061) 3.098 10.075 ( 1.090 -1.887 3.614) 4.220 10.125 ( 1.892 -3.276 4.002) 5.507 10.245 ( 2.658 -4.604 13.015) 14.059 10.466 ( -1.852 3.207 1.162) 3.882 10.602 ( 0.499 -0.863 7.294) 7.362 10.723 ( -7.352 12.734 -1.632) 14.795 10.810 ( -0.803 1.391 -8.232) 8.387 10.956 ( 5.019 -8.693 7.020) 12.249 11.263 ( 0.268 -0.465 15.877) 15.886 11.322 ( -2.975 5.154 -8.892) 10.699 11.452 ( 0.511 -0.885 1.861) 2.123 11.575 ( -2.421 4.193 -1.941) 5.217 11.680 ( -2.673 4.629 -2.812) 6.040 11.732 ( 5.119 -8.866 -8.355) 13.214 11.841 ( 2.233 -3.867 -12.566) 13.336 11.942 ( 1.242 -2.152 -6.330) 6.800 12.075 ( 4.653 -8.059 -0.339) 9.312 12.224 ( 3.988 -6.907 -5.901) 9.922 12.242 ( 4.694 -8.130 -12.172) 15.372 13.457 ( -0.017 0.030 19.485) 19.485 13.557 ( 1.401 -2.427 11.188) 11.534 13.841 ( 2.048 -3.547 5.517) 6.872 14.029 ( -2.510 4.347 -6.421) 8.150 14.210 ( -0.194 0.336 -7.645) 7.654 14.357 ( 4.632 -8.023 -11.571) 14.823 15.567 ( -3.195 5.534 3.267) 7.177 15.728 ( -2.268 3.928 -2.804) 5.332 15.809 ( 1.465 -2.538 0.798) 3.037 15.889 ( 0.780 -1.350 -1.646) 2.267 16.193 ( -3.103 5.374 2.428) 6.664 16.294 ( -3.277 5.676 1.423) 6.706 16.407 ( -3.617 6.264 -0.951) 7.296 16.421 ( 1.152 -1.995 2.690) 3.542 16.553 ( -0.425 0.736 -0.461) 0.967 16.667 ( 1.671 -2.895 -0.288) 3.355 16.858 ( 3.698 -6.405 -11.169) 13.395 16.908 ( 2.549 -4.416 -19.225) 19.889 17.968 ( -2.934 5.081 12.196) 13.534 18.276 ( -6.145 10.643 0.911) 12.323 18.401 ( 3.305 -5.724 15.933) 17.250 18.416 ( 3.928 -6.803 10.317) 12.967 18.848 ( 2.885 -4.997 -4.886) 7.561 18.910 ( 1.432 -2.480 -5.086) 5.837 19.744 ( -2.762 4.784 2.346) 6.001 19.886 ( -2.825 4.893 -2.767) 6.292 19.946 ( 1.140 -1.974 2.419) 3.324 20.036 ( 1.070 -1.853 4.265) 4.772 20.106 ( 0.815 -1.411 -3.206) 3.597 20.278 ( -0.318 0.551 -4.270) 4.317 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 7.148 12.381 7.936) 16.352 3.851 ( -4.565 -7.907 5.202) 10.508 3.892 ( -0.160 -0.277 4.879) 4.890 3.917 ( 0.720 1.247 -6.340) 6.502 4.051 ( 1.272 2.204 5.430) 5.997 4.145 ( -3.991 -6.913 -0.332) 7.989 4.372 ( 4.373 7.575 -10.211) 13.446 4.576 ( -4.057 -7.026 -5.846) 10.000 4.619 ( 6.719 11.637 -15.102) 20.215 4.772 ( -5.039 -8.729 -1.785) 10.236 4.869 ( -3.672 -6.359 -14.554) 16.302 5.061 ( -4.021 -6.964 -14.343) 16.444 5.533 ( 4.590 7.950 11.292) 14.553 5.635 ( -1.427 -2.471 17.256) 17.490 5.817 ( 1.176 2.036 4.392) 4.982 5.881 ( 1.735 3.006 -0.969) 3.604 6.037 ( -2.814 -4.874 2.544) 6.177 6.067 ( -1.723 -2.984 0.445) 3.475 6.154 ( -4.109 -7.117 11.085) 13.799 6.155 ( -2.339 -4.052 14.668) 15.396 6.400 ( -0.394 -0.683 27.719) 27.731 6.935 ( 2.937 5.086 -10.635) 12.149 6.961 ( 7.366 12.758 -6.599) 16.143 7.151 ( 8.101 14.031 -3.954) 16.677 7.527 ( 0.243 0.422 0.720) 0.869 7.742 ( -5.804 -10.052 4.920) 12.607 7.927 ( 0.961 1.664 3.248) 3.774 8.011 ( -0.567 -0.982 -2.391) 2.646 8.057 ( -2.066 -3.579 -5.908) 7.210 8.373 ( 6.317 10.941 -8.168) 15.044 8.607 ( -3.075 -5.326 -3.520) 7.086 8.607 ( -2.962 -5.131 1.349) 6.076 8.834 ( 3.586 6.210 -12.278) 14.219 8.874 ( 0.322 0.557 -12.736) 12.752 9.108 ( -1.503 -2.604 -7.739) 8.303 9.313 ( 0.535 0.926 -9.798) 9.857 9.778 ( 1.784 3.090 3.391) 4.922 9.847 ( 7.441 12.888 10.964) 18.485 9.922 ( 1.480 2.564 0.409) 2.989 9.957 ( 5.065 8.772 8.359) 13.133 10.031 ( 2.244 3.887 8.963) 10.024 10.036 ( -3.288 -5.695 0.682) 6.611 10.103 ( -3.217 -5.572 4.041) 7.598 10.374 ( -7.177 -12.432 19.254) 24.016 10.496 ( 0.030 0.052 6.950) 6.951 10.546 ( -0.516 -0.894 7.688) 7.757 10.636 ( -2.505 -4.338 5.374) 7.346 10.856 ( 5.785 10.020 -4.748) 12.506 11.178 ( -2.315 -4.010 3.293) 5.682 11.245 ( -5.671 -9.823 -6.632) 13.139 11.327 ( -1.658 -2.872 3.889) 5.111 11.417 ( 1.930 3.342 -5.493) 6.713 11.422 ( -0.243 -0.421 -11.235) 11.245 11.641 ( 1.072 1.857 -1.463) 2.596 11.753 ( 1.881 3.258 -3.150) 4.907 11.875 ( -0.423 -0.732 -1.443) 1.672 11.937 ( -3.950 -6.842 -2.797) 8.381 12.018 ( 0.942 1.631 -4.194) 4.598 12.083 ( -2.443 -4.232 -10.232) 11.339 12.155 ( -3.693 -6.396 -10.603) 12.922 13.472 ( 1.690 2.927 16.420) 16.764 13.510 ( 0.902 1.562 13.873) 13.989 13.813 ( -3.278 -5.677 6.684) 9.363 14.101 ( 0.885 1.534 -7.742) 7.942 14.157 ( -0.758 -1.313 -9.854) 9.970 14.302 ( -0.334 -0.579 -8.328) 8.355 15.640 ( 3.244 5.618 2.309) 6.886 15.765 ( -1.760 -3.048 1.076) 3.681 15.776 ( 1.726 2.990 -2.582) 4.311 15.866 ( -2.105 -3.646 -2.031) 4.674 16.249 ( 0.525 0.909 5.453) 5.553 16.328 ( 2.041 3.535 2.114) 4.596 16.392 ( -0.551 -0.955 3.201) 3.386 16.525 ( 4.356 7.545 -3.741) 9.481 16.610 ( -0.642 -1.112 -0.722) 1.473 16.679 ( 0.715 1.239 -11.161) 11.252 16.680 ( -2.368 -4.101 -4.170) 6.310 16.866 ( -4.068 -7.046 -17.655) 19.439 18.074 ( 3.207 5.554 14.269) 15.644 18.202 ( 2.494 4.319 13.685) 14.566 18.401 ( -7.627 -13.211 16.290) 22.318 18.473 ( 4.069 7.047 -3.138) 8.721 18.687 ( 4.699 8.139 -5.511) 10.895 18.930 ( -7.341 -12.715 -5.535) 15.691 19.826 ( 2.305 3.992 2.056) 5.047 19.884 ( 0.946 1.639 3.065) 3.602 19.960 ( 3.137 5.433 -2.716) 6.836 20.018 ( -1.941 -3.362 3.634) 5.318 20.074 ( -1.567 -2.715 -2.551) 4.041 20.289 ( -1.501 -2.599 -4.665) 5.547 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 0.000 -41.634) 41.634 1.974 ( -0.000 -0.000 -41.634) 41.634 1.974 ( 0.000 0.000 41.634) 41.634 1.974 ( 0.000 0.000 41.634) 41.634 3.461 ( 0.000 0.000 -75.531) 75.531 3.461 ( 0.000 0.000 75.531) 75.531 4.472 ( 0.000 -0.000 -11.526) 11.526 4.472 ( 0.000 -0.000 -11.526) 11.526 4.472 ( 0.000 0.000 11.526) 11.526 4.472 ( -0.000 0.000 11.526) 11.526 5.170 ( 0.000 0.000 -4.609) 4.609 5.170 ( 0.000 -0.000 4.609) 4.609 5.961 ( -0.000 0.000 -4.159) 4.159 5.961 ( 0.000 0.000 -4.159) 4.159 5.961 ( 0.000 -0.000 4.159) 4.159 5.961 ( 0.000 -0.000 4.159) 4.159 6.103 ( 0.000 0.000 -13.997) 13.997 6.103 ( -0.000 0.000 13.997) 13.997 6.139 ( 0.000 0.000 -0.626) 0.626 6.139 ( 0.000 -0.000 -0.626) 0.626 6.139 ( 0.000 0.000 0.626) 0.626 6.139 ( 0.000 -0.000 0.626) 0.626 7.459 ( -0.000 0.000 -25.953) 25.953 7.459 ( -0.000 0.000 25.953) 25.953 7.915 ( 0.000 0.000 -17.748) 17.748 7.915 ( 0.000 -0.000 17.748) 17.748 8.674 ( 0.000 0.000 -3.901) 3.901 8.674 ( 0.000 -0.000 3.901) 3.901 8.954 ( 0.000 0.000 -2.301) 2.301 8.954 ( 0.000 0.000 2.301) 2.301 8.960 ( 0.000 -0.000 -1.652) 1.652 8.960 ( 0.000 0.000 -1.652) 1.652 8.960 ( 0.000 -0.000 1.652) 1.652 8.960 ( 0.000 0.000 1.652) 1.652 9.782 ( -0.000 -0.000 -0.991) 0.991 9.782 ( -0.000 -0.000 -0.991) 0.991 9.782 ( -0.000 0.000 0.991) 0.991 9.782 ( 0.000 0.000 0.991) 0.991 10.002 ( 0.000 0.000 -25.702) 25.702 10.002 ( -0.000 0.000 25.702) 25.702 10.139 ( 0.000 -0.000 -0.633) 0.633 10.139 ( -0.000 0.000 -0.633) 0.633 10.139 ( 0.000 0.000 0.633) 0.633 10.139 ( 0.000 0.000 0.633) 0.633 10.520 ( 0.000 0.000 -2.309) 2.309 10.520 ( 0.000 0.000 -2.309) 2.309 10.520 ( 0.000 -0.000 2.309) 2.309 10.520 ( 0.000 0.000 2.309) 2.309 11.449 ( 0.000 0.000 -7.287) 7.287 11.449 ( 0.000 -0.000 -7.287) 7.287 11.449 ( 0.000 0.000 7.287) 7.287 11.449 ( 0.000 0.000 7.287) 7.287 12.094 ( 0.000 0.000 -25.558) 25.558 12.094 ( 0.000 0.000 25.558) 25.558 12.246 ( 0.000 -0.000 -28.245) 28.245 12.246 ( 0.000 0.000 28.245) 28.245 12.270 ( 0.000 -0.000 -0.120) 0.120 12.270 ( 0.000 -0.000 -0.120) 0.120 12.270 ( -0.000 0.000 0.120) 0.120 12.270 ( 0.000 -0.000 0.120) 0.120 13.363 ( 0.000 -0.000 -1.774) 1.774 13.363 ( 0.000 0.000 -1.774) 1.774 13.363 ( 0.000 0.000 1.774) 1.774 13.363 ( -0.000 0.000 1.774) 1.774 14.253 ( 0.000 -0.000 -2.030) 2.030 14.253 ( 0.000 0.000 2.030) 2.030 15.583 ( 0.000 -0.000 -4.328) 4.328 15.583 ( 0.000 0.000 -4.328) 4.328 15.583 ( 0.000 0.000 4.328) 4.328 15.583 ( 0.000 0.000 4.328) 4.328 15.713 ( 0.000 0.000 -5.421) 5.421 15.713 ( 0.000 0.000 5.421) 5.421 15.741 ( 0.000 -0.000 -6.763) 6.763 15.741 ( 0.000 0.000 6.763) 6.763 17.040 ( 0.000 0.000 -2.677) 2.677 17.040 ( -0.000 -0.000 -2.677) 2.677 17.040 ( 0.000 0.000 2.677) 2.677 17.040 ( -0.000 0.000 2.677) 2.677 17.942 ( 0.000 0.000 -1.878) 1.878 17.942 ( -0.000 -0.000 -1.878) 1.878 17.942 ( 0.000 -0.000 1.878) 1.878 17.942 ( -0.000 0.000 1.878) 1.878 19.439 ( 0.000 -0.000 -0.620) 0.620 19.439 ( 0.000 -0.000 -0.620) 0.620 19.439 ( 0.000 -0.000 0.620) 0.620 19.439 ( 0.000 0.000 0.620) 0.620 19.792 ( 0.000 -0.000 -13.192) 13.192 19.792 ( 0.000 0.000 13.192) 13.192 21.135 ( 0.000 -0.000 -6.809) 6.809 21.135 ( 0.000 0.000 6.809) 6.809 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 6.232 3.598 -39.990) 40.632 2.029 ( 6.232 3.598 39.990) 40.632 2.122 ( 12.537 7.238 -36.026) 38.826 2.122 ( 12.537 7.238 36.026) 38.826 3.801 ( 26.159 15.103 -62.964) 69.835 3.801 ( 26.159 15.103 62.964) 69.835 4.517 ( 3.799 2.193 -11.054) 11.893 4.517 ( 3.799 2.193 11.054) 11.893 4.687 ( 17.363 10.024 -10.045) 22.424 4.687 ( 17.363 10.024 10.045) 22.424 5.171 ( -0.063 -0.037 -4.921) 4.922 5.171 ( -0.063 -0.037 4.921) 4.922 5.785 ( -10.629 -6.137 -2.891) 12.609 5.785 ( -10.629 -6.137 2.891) 12.609 5.933 ( -6.779 -3.914 -1.522) 7.974 5.933 ( -6.779 -3.914 1.522) 7.974 5.983 ( -7.635 -4.408 -1.945) 9.028 5.983 ( -7.635 -4.408 1.945) 9.028 6.016 ( -7.791 -4.498 -1.389) 9.102 6.016 ( -7.791 -4.498 1.389) 9.102 6.278 ( 8.567 4.946 -13.063) 16.386 6.278 ( 8.567 4.946 13.063) 16.386 7.456 ( -0.735 -0.424 -23.932) 23.948 7.456 ( -0.735 -0.424 23.932) 23.948 7.868 ( -4.207 -2.429 -19.625) 20.217 7.868 ( -4.207 -2.429 19.625) 20.217 8.570 ( -9.094 -5.250 -3.513) 11.073 8.570 ( -9.094 -5.250 3.513) 11.073 8.701 ( -18.903 -10.914 -7.854) 23.197 8.701 ( -18.903 -10.914 7.854) 23.197 8.754 ( -12.797 -7.388 -6.616) 16.190 8.754 ( -12.797 -7.388 6.616) 16.190 8.967 ( 0.270 0.156 -0.776) 0.837 8.967 ( 0.270 0.156 0.776) 0.837 9.564 ( -10.482 -6.052 -1.118) 12.155 9.564 ( -10.482 -6.052 1.118) 12.155 9.767 ( -1.201 -0.694 -0.531) 1.485 9.767 ( -1.201 -0.694 0.531) 1.485 10.097 ( 1.756 1.014 -16.106) 16.233 10.097 ( 1.756 1.014 16.106) 16.233 10.224 ( 4.905 2.832 -5.864) 8.153 10.224 ( 4.905 2.832 5.864) 8.153 10.295 ( 10.182 5.879 -13.673) 18.033 10.295 ( 10.182 5.879 13.673) 18.033 10.545 ( 2.866 1.655 -8.585) 9.201 10.545 ( 2.866 1.655 8.585) 9.201 10.573 ( 4.786 2.763 -1.888) 5.840 10.573 ( 4.786 2.763 1.888) 5.840 11.403 ( -4.077 -2.354 -0.072) 4.708 11.403 ( -4.077 -2.354 0.072) 4.708 11.430 ( -1.226 -0.708 -1.617) 2.149 11.430 ( -1.226 -0.708 1.617) 2.149 12.009 ( -6.623 -3.824 -21.373) 22.700 12.009 ( -6.623 -3.824 21.373) 22.700 12.106 ( -5.208 -3.007 -9.037) 10.855 12.106 ( -5.208 -3.007 9.037) 10.855 12.285 ( 0.228 0.131 -1.902) 1.920 12.285 ( 0.228 0.131 1.902) 1.920 12.336 ( -0.828 -0.478 -17.520) 17.546 12.336 ( -0.828 -0.478 17.520) 17.546 13.384 ( 2.800 1.617 -3.881) 5.052 13.384 ( 2.800 1.617 3.881) 5.052 13.416 ( 4.980 2.875 -8.370) 10.155 13.416 ( 4.980 2.875 8.370) 10.155 14.520 ( 14.815 8.554 -2.935) 17.357 14.520 ( 14.815 8.554 2.935) 17.357 15.314 ( -8.073 -4.661 -5.720) 10.937 15.314 ( -8.073 -4.661 5.720) 10.937 15.553 ( -1.011 -0.584 -3.301) 3.501 15.553 ( -1.011 -0.584 3.301) 3.501 15.789 ( 4.877 2.816 -2.671) 6.233 15.789 ( 4.877 2.816 2.671) 6.233 16.140 ( 19.809 11.437 -5.205) 23.459 16.140 ( 19.809 11.437 5.205) 23.459 16.932 ( -8.309 -4.797 -3.324) 10.154 16.932 ( -8.309 -4.797 3.324) 10.154 17.030 ( -1.035 -0.598 -2.968) 3.200 17.030 ( -1.035 -0.598 2.968) 3.200 17.914 ( -1.799 -1.039 -2.085) 2.943 17.914 ( -1.799 -1.039 2.085) 2.943 17.953 ( 1.163 0.671 -1.617) 2.101 17.953 ( 1.163 0.671 1.617) 2.101 19.437 ( -0.070 -0.041 -0.586) 0.591 19.437 ( -0.070 -0.041 0.586) 0.591 19.463 ( 1.994 1.151 -0.581) 2.375 19.463 ( 1.994 1.151 0.581) 2.375 19.852 ( 3.974 2.294 -12.362) 13.186 19.852 ( 3.974 2.294 12.362) 13.186 20.997 ( -10.568 -6.101 -0.923) 12.237 20.997 ( -10.568 -6.101 0.923) 12.237 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 16.414 9.476 -24.570) 31.031 2.298 ( 16.414 9.476 24.570) 31.031 2.538 ( 22.513 12.998 -22.169) 34.166 2.538 ( 22.513 12.998 22.169) 34.166 4.499 ( 26.943 15.555 -35.120) 46.918 4.499 ( 26.943 15.555 35.120) 46.918 4.659 ( 11.600 6.698 -14.705) 19.891 4.659 ( 11.600 6.698 14.705) 19.891 5.078 ( 1.863 1.076 -3.564) 4.163 5.078 ( 1.863 1.076 3.564) 4.163 5.201 ( 6.768 3.908 -0.271) 7.820 5.201 ( 6.768 3.908 0.271) 7.820 5.541 ( -9.000 -5.196 -3.545) 10.980 5.541 ( -9.000 -5.196 3.545) 10.980 5.643 ( -8.117 -4.686 -0.447) 9.383 5.643 ( -8.117 -4.686 0.447) 9.383 5.749 ( -7.495 -4.327 -2.180) 8.925 5.749 ( -7.495 -4.327 2.180) 8.925 5.985 ( 0.648 0.374 -0.134) 0.760 5.985 ( 0.648 0.374 0.134) 0.760 6.483 ( 8.947 5.165 -14.683) 17.953 6.483 ( 8.947 5.165 14.683) 17.953 7.370 ( -8.383 -4.840 -18.285) 20.689 7.370 ( -8.383 -4.840 18.285) 20.689 7.752 ( -4.842 -2.796 -16.727) 17.637 7.752 ( -4.842 -2.796 16.727) 17.637 8.035 ( -28.571 -16.496 -9.728) 34.395 8.035 ( -28.571 -16.496 9.728) 34.395 8.470 ( -5.524 -3.189 -1.689) 6.598 8.470 ( -5.524 -3.189 1.689) 6.598 8.510 ( -7.052 -4.071 -5.752) 9.969 8.510 ( -7.052 -4.071 5.752) 9.969 8.971 ( 0.318 0.184 -0.547) 0.658 8.971 ( 0.318 0.184 0.547) 0.658 9.369 ( -6.329 -3.654 -0.191) 7.311 9.369 ( -6.329 -3.654 0.191) 7.311 9.742 ( -0.742 -0.428 -0.648) 1.074 9.742 ( -0.742 -0.428 0.648) 1.074 10.080 ( -2.954 -1.706 -14.867) 15.253 10.080 ( -2.954 -1.706 14.867) 15.253 10.279 ( -0.427 -0.247 -2.374) 2.425 10.279 ( -0.427 -0.247 2.374) 2.425 10.423 ( 0.867 0.501 -13.051) 13.089 10.423 ( 0.867 0.501 13.051) 13.089 10.648 ( 4.568 2.637 -1.344) 5.443 10.648 ( 4.568 2.637 1.344) 5.443 10.790 ( 12.558 7.250 -19.559) 24.348 10.790 ( 12.558 7.250 19.559) 24.348 11.267 ( -7.083 -4.089 -1.145) 8.258 11.267 ( -7.083 -4.089 1.145) 8.258 11.378 ( -3.985 -2.301 -6.557) 8.010 11.378 ( -3.985 -2.301 6.557) 8.010 11.847 ( -6.146 -3.548 -14.104) 15.789 11.847 ( -6.146 -3.548 14.104) 15.789 11.995 ( -4.815 -2.780 -7.109) 9.025 11.995 ( -4.815 -2.780 7.109) 9.025 12.250 ( -4.577 -2.642 -17.003) 17.805 12.250 ( -4.577 -2.642 17.003) 17.805 12.278 ( -1.093 -0.631 -0.809) 1.499 12.278 ( -1.093 -0.631 0.809) 1.499 13.455 ( 2.922 1.687 -2.970) 4.495 13.455 ( 2.922 1.687 2.970) 4.495 13.605 ( 10.337 5.968 -17.491) 21.176 13.605 ( 10.337 5.968 17.491) 21.176 14.625 ( -5.263 -3.039 -9.597) 11.359 14.625 ( -5.263 -3.039 9.597) 11.359 15.353 ( 7.846 4.530 -2.180) 9.319 15.353 ( 7.846 4.530 2.180) 9.319 15.578 ( 4.037 2.331 -5.019) 6.850 15.578 ( 4.037 2.331 5.019) 6.850 15.905 ( 4.984 2.878 -0.107) 5.756 15.905 ( 4.984 2.878 0.107) 5.756 16.506 ( 8.445 4.876 -16.465) 19.136 16.506 ( 8.445 4.876 16.465) 19.136 16.732 ( -5.891 -3.401 -2.303) 7.181 16.732 ( -5.891 -3.401 2.303) 7.181 16.984 ( -2.902 -1.675 -2.701) 4.304 16.984 ( -2.902 -1.675 2.701) 4.304 17.892 ( 0.542 0.313 -1.981) 2.078 17.892 ( 0.542 0.313 1.981) 2.078 18.011 ( 4.185 2.416 -0.003) 4.832 18.011 ( 4.185 2.416 0.003) 4.832 19.430 ( -0.941 -0.543 -0.174) 1.100 19.430 ( -0.941 -0.543 0.174) 1.100 19.528 ( 3.497 2.019 -0.480) 4.067 19.528 ( 3.497 2.019 0.480) 4.067 19.921 ( 1.342 0.775 -11.485) 11.589 19.921 ( 1.342 0.775 11.485) 11.589 20.717 ( -12.175 -7.030 -5.998) 15.285 20.717 ( -12.175 -7.030 5.998) 15.285 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 21.818 12.597 -8.001) 26.433 2.753 ( 21.818 12.597 8.001) 26.433 3.124 ( 26.659 15.392 -10.113) 32.402 3.124 ( 26.659 15.392 10.113) 32.402 4.682 ( -3.277 -1.892 -6.015) 7.107 4.682 ( -3.277 -1.892 6.015) 7.107 4.824 ( -15.291 -8.828 -1.861) 17.755 4.824 ( -15.291 -8.828 1.861) 17.755 5.061 ( -5.265 -3.040 -6.327) 8.774 5.061 ( -5.265 -3.040 6.327) 8.774 5.179 ( -5.116 -2.954 -0.902) 5.976 5.179 ( -5.116 -2.954 0.902) 5.976 5.428 ( 21.037 12.146 -6.062) 25.037 5.428 ( 21.037 12.146 6.062) 25.037 5.615 ( 0.872 0.504 -3.575) 3.714 5.615 ( 0.872 0.504 3.575) 3.714 5.976 ( 6.062 3.500 -0.047) 6.999 5.976 ( 6.062 3.500 0.047) 6.999 6.091 ( 17.196 9.928 -1.893) 19.946 6.091 ( 17.196 9.928 1.893) 19.946 6.700 ( 9.204 5.314 -5.400) 11.921 6.700 ( 9.204 5.314 5.400) 11.921 7.075 ( -14.016 -8.092 -9.739) 18.889 7.075 ( -14.016 -8.092 9.739) 18.889 7.308 ( -25.713 -14.845 -4.672) 30.056 7.308 ( -25.713 -14.845 4.672) 30.056 7.799 ( 3.020 1.744 -13.610) 14.049 7.799 ( 3.020 1.744 13.610) 14.049 8.258 ( -12.008 -6.933 -1.661) 13.964 8.258 ( -12.008 -6.933 1.661) 13.964 8.508 ( 4.874 2.814 -6.150) 8.336 8.508 ( 4.874 2.814 6.150) 8.336 8.993 ( 1.569 0.906 -3.941) 4.338 8.993 ( 1.569 0.906 3.941) 4.338 9.265 ( -2.487 -1.436 -2.590) 3.867 9.265 ( -2.487 -1.436 2.590) 3.867 9.717 ( -2.127 -1.228 -2.523) 3.522 9.717 ( -2.127 -1.228 2.523) 3.522 9.969 ( -5.941 -3.430 -9.158) 11.442 9.969 ( -5.941 -3.430 9.158) 11.442 10.253 ( -0.816 -0.471 -7.077) 7.139 10.253 ( -0.816 -0.471 7.077) 7.139 10.384 ( -3.933 -2.271 -11.565) 12.425 10.384 ( -3.933 -2.271 11.565) 12.425 10.690 ( -1.626 -0.939 -1.017) 2.136 10.690 ( -1.626 -0.939 1.017) 2.136 11.043 ( 5.646 3.260 -25.632) 26.448 11.043 ( 5.646 3.260 25.632) 26.448 11.115 ( -3.660 -2.113 -5.728) 7.118 11.115 ( -3.660 -2.113 5.728) 7.118 11.249 ( -5.246 -3.029 -11.075) 12.624 11.249 ( -5.246 -3.029 11.075) 12.624 11.720 ( -5.492 -3.171 -7.239) 9.623 11.720 ( -5.492 -3.171 7.239) 9.623 11.864 ( -6.843 -3.951 -4.381) 9.035 11.864 ( -6.843 -3.951 4.381) 9.035 12.175 ( -0.472 -0.273 -16.903) 16.912 12.175 ( -0.472 -0.273 16.903) 16.912 12.266 ( 0.152 0.088 -1.837) 1.845 12.266 ( 0.152 0.088 1.837) 1.845 13.530 ( 3.987 2.302 -1.271) 4.776 13.530 ( 3.987 2.302 1.271) 4.776 13.853 ( 10.050 5.803 -23.295) 26.026 13.853 ( 10.050 5.803 23.295) 26.026 14.435 ( -9.316 -5.379 -7.678) 13.216 14.435 ( -9.316 -5.379 7.678) 13.216 15.469 ( 2.292 1.323 -4.444) 5.173 15.469 ( 2.292 1.323 4.444) 5.173 15.733 ( 6.885 3.975 -2.759) 8.416 15.733 ( 6.885 3.975 2.759) 8.416 16.018 ( 4.235 2.445 -2.466) 5.477 16.018 ( 4.235 2.445 2.466) 5.477 16.479 ( -3.822 -2.206 -13.484) 14.187 16.479 ( -3.822 -2.206 13.484) 14.187 16.730 ( -0.052 -0.030 -6.136) 6.136 16.730 ( -0.052 -0.030 6.136) 6.136 16.904 ( -3.505 -2.024 -0.678) 4.103 16.904 ( -3.505 -2.024 0.678) 4.103 17.940 ( 2.919 1.685 -0.548) 3.414 17.940 ( 2.919 1.685 0.548) 3.414 18.170 ( 9.894 5.712 -3.996) 12.103 18.170 ( 9.894 5.712 3.996) 12.103 19.361 ( -5.763 -3.327 -2.395) 7.073 19.361 ( -5.763 -3.327 2.395) 7.073 19.616 ( 3.747 2.163 -1.068) 4.457 19.616 ( 3.747 2.163 1.068) 4.457 19.925 ( -0.048 -0.028 -9.562) 9.562 19.925 ( -0.048 -0.028 9.562) 9.562 20.465 ( -9.279 -5.357 -6.650) 12.610 20.465 ( -9.279 -5.357 6.650) 12.610 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 23.615 13.634 -0.351) 27.270 3.287 ( 23.615 13.634 0.351) 27.270 3.728 ( 24.117 13.924 -2.536) 27.963 3.728 ( 24.117 13.924 2.536) 27.963 4.376 ( -19.748 -11.401 -1.520) 22.854 4.376 ( -19.748 -11.401 1.520) 22.854 4.488 ( -11.631 -6.715 -1.734) 13.542 4.488 ( -11.631 -6.715 1.734) 13.542 4.750 ( -14.974 -8.645 -1.040) 17.322 4.750 ( -14.974 -8.645 1.040) 17.322 5.263 ( 6.394 3.692 -5.118) 8.984 5.263 ( 6.394 3.692 5.118) 8.984 5.666 ( 7.172 4.141 -1.968) 8.512 5.666 ( 7.172 4.141 1.968) 8.512 5.948 ( 9.466 5.465 -10.291) 15.012 5.948 ( 9.466 5.465 10.291) 15.012 6.071 ( 6.918 3.994 -1.566) 8.141 6.071 ( 6.918 3.994 1.566) 8.141 6.335 ( -0.585 -0.338 -6.391) 6.427 6.335 ( -0.585 -0.338 6.391) 6.427 6.657 ( -7.901 -4.562 -5.730) 10.774 6.657 ( -7.901 -4.562 5.730) 10.774 6.783 ( -9.815 -5.666 -1.011) 11.378 6.783 ( -9.815 -5.666 1.011) 11.378 7.197 ( 13.466 7.775 -8.711) 17.823 7.197 ( 13.466 7.775 8.711) 17.823 7.902 ( -3.812 -2.201 -9.086) 10.096 7.902 ( -3.812 -2.201 9.086) 10.096 7.984 ( -1.311 -0.757 -10.761) 10.867 7.984 ( -1.311 -0.757 10.761) 10.867 8.629 ( 3.330 1.923 -1.675) 4.195 8.629 ( 3.330 1.923 1.675) 4.195 9.047 ( 3.053 1.763 -6.282) 7.203 9.047 ( 3.053 1.763 6.282) 7.203 9.238 ( -0.905 -0.523 -1.591) 1.904 9.238 ( -0.905 -0.523 1.591) 1.904 9.636 ( -3.307 -1.909 -4.635) 6.005 9.636 ( -3.307 -1.909 4.635) 6.005 9.861 ( -2.030 -1.172 -3.724) 4.400 9.861 ( -2.030 -1.172 3.724) 4.400 10.194 ( -8.869 -5.121 -13.694) 17.100 10.194 ( -8.869 -5.121 13.694) 17.100 10.280 ( -1.096 -0.633 -7.319) 7.427 10.280 ( -1.096 -0.633 7.319) 7.427 10.639 ( -0.682 -0.394 -9.281) 9.314 10.639 ( -0.682 -0.394 9.281) 9.314 10.929 ( -6.305 -3.640 -13.975) 15.757 10.929 ( -6.305 -3.640 13.975) 15.757 11.112 ( -3.094 -1.786 -29.024) 29.243 11.112 ( -3.094 -1.786 29.024) 29.243 11.277 ( 5.769 3.331 -4.434) 8.002 11.277 ( 5.769 3.331 4.434) 8.002 11.586 ( -5.494 -3.172 -5.477) 8.381 11.586 ( -5.494 -3.172 5.477) 8.381 11.694 ( -6.765 -3.906 -5.283) 9.431 11.694 ( -6.765 -3.906 5.283) 9.431 12.216 ( 2.805 1.620 -14.058) 14.426 12.216 ( 2.805 1.620 14.058) 14.426 12.279 ( 0.562 0.324 -1.649) 1.772 12.279 ( 0.562 0.324 1.649) 1.772 13.656 ( 6.762 3.904 -4.445) 8.984 13.656 ( 6.762 3.904 4.445) 8.984 14.015 ( 1.523 0.879 -20.575) 20.650 14.015 ( 1.523 0.879 20.575) 20.650 14.248 ( -4.647 -2.683 -11.217) 12.434 14.248 ( -4.647 -2.683 11.217) 12.434 15.499 ( 0.598 0.345 -6.512) 6.548 15.499 ( 0.598 0.345 6.512) 6.548 15.845 ( 2.873 1.659 -0.949) 3.450 15.845 ( 2.873 1.659 0.949) 3.450 16.067 ( 0.029 0.017 -3.483) 3.483 16.067 ( 0.029 0.017 3.483) 3.483 16.465 ( 2.336 1.349 -9.741) 10.108 16.465 ( 2.336 1.349 9.741) 10.108 16.667 ( -4.128 -2.383 -6.643) 8.176 16.667 ( -4.128 -2.383 6.643) 8.176 16.835 ( -2.326 -1.343 -4.922) 5.607 16.835 ( -2.326 -1.343 4.922) 5.607 17.999 ( 1.820 1.051 -0.226) 2.113 17.999 ( 1.820 1.051 0.226) 2.113 18.463 ( 14.586 8.421 -7.324) 18.366 18.463 ( 14.586 8.421 7.324) 18.366 19.147 ( -12.299 -7.101 -6.646) 15.680 19.147 ( -12.299 -7.101 6.646) 15.680 19.686 ( 1.968 1.136 -2.816) 3.618 19.686 ( 1.968 1.136 2.816) 3.618 19.963 ( 3.500 2.021 -5.047) 6.466 19.963 ( 3.500 2.021 5.047) 6.466 20.277 ( -7.110 -4.105 -4.588) 9.405 20.277 ( -7.110 -4.105 4.588) 9.405 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -0.000 -0.000 -1.727) 1.727 3.785 ( -0.000 -0.000 1.727) 1.727 3.904 ( 0.000 0.000 -3.661) 3.661 3.904 ( 0.000 0.000 3.661) 3.661 4.134 ( -0.000 -0.000 -1.762) 1.762 4.134 ( -0.000 -0.000 1.762) 1.762 4.364 ( 0.000 0.000 -1.597) 1.597 4.364 ( 0.000 0.000 1.597) 1.597 4.450 ( 0.000 0.000 -0.293) 0.293 4.450 ( 0.000 0.000 0.293) 0.293 5.351 ( 0.000 0.000 -5.525) 5.525 5.351 ( 0.000 0.000 5.525) 5.525 5.875 ( -0.000 -0.000 -3.947) 3.947 5.875 ( 0.000 0.000 3.947) 3.947 5.940 ( -0.000 -0.000 -5.535) 5.535 5.940 ( 0.000 0.000 5.535) 5.535 6.072 ( 0.000 0.000 -10.881) 10.881 6.072 ( -0.000 -0.000 10.881) 10.881 6.306 ( 0.000 0.000 -1.673) 1.673 6.306 ( 0.000 0.000 1.673) 1.673 6.604 ( 0.000 0.000 -16.216) 16.216 6.604 ( 0.000 0.000 16.216) 16.216 6.725 ( 0.000 0.000 -9.057) 9.057 6.725 ( 0.000 0.000 9.057) 9.057 7.399 ( 0.000 0.000 -20.925) 20.925 7.399 ( 0.000 0.000 20.925) 20.925 7.715 ( -0.000 -0.000 -18.399) 18.399 7.715 ( -0.000 -0.000 18.399) 18.399 8.109 ( 0.000 0.000 -4.622) 4.622 8.109 ( 0.000 0.000 4.622) 4.622 8.646 ( 0.000 0.000 -3.993) 3.993 8.646 ( 0.000 0.000 3.993) 3.993 9.083 ( 0.000 0.000 -1.892) 1.892 9.083 ( 0.000 0.000 1.892) 1.892 9.226 ( 0.000 0.000 -0.172) 0.172 9.226 ( 0.000 0.000 0.172) 0.172 9.608 ( 0.000 0.000 -5.150) 5.150 9.608 ( 0.000 0.000 5.150) 5.150 9.937 ( 0.000 0.000 -11.584) 11.584 9.937 ( 0.000 0.000 11.584) 11.584 9.945 ( -0.000 -0.000 -9.025) 9.025 9.945 ( -0.000 -0.000 9.025) 9.025 10.275 ( 0.000 0.000 -6.841) 6.841 10.275 ( 0.000 0.000 6.841) 6.841 10.651 ( 0.000 0.000 -10.176) 10.176 10.651 ( 0.000 0.000 10.176) 10.176 10.852 ( 0.000 0.000 -21.397) 21.397 10.852 ( 0.000 0.000 21.397) 21.397 11.055 ( 0.000 0.000 -24.897) 24.897 11.055 ( 0.000 0.000 24.897) 24.897 11.377 ( 0.000 0.000 -6.880) 6.880 11.377 ( 0.000 0.000 6.880) 6.880 11.499 ( 0.000 0.000 -3.576) 3.576 11.499 ( 0.000 0.000 3.576) 3.576 11.602 ( 0.000 0.000 -13.245) 13.245 11.602 ( 0.000 0.000 13.245) 13.245 12.261 ( 0.000 0.000 -14.749) 14.749 12.261 ( 0.000 0.000 14.749) 14.749 12.281 ( 0.000 0.000 -2.900) 2.900 12.281 ( 0.000 0.000 2.900) 2.900 13.788 ( 0.000 0.000 -5.410) 5.410 13.788 ( 0.000 0.000 5.410) 5.410 13.946 ( -0.000 -0.000 -10.148) 10.148 13.946 ( -0.000 -0.000 10.148) 10.148 14.232 ( 0.000 0.000 -21.748) 21.748 14.232 ( 0.000 0.000 21.748) 21.748 15.505 ( 0.000 0.000 -7.908) 7.908 15.505 ( 0.000 0.000 7.908) 7.908 15.876 ( 0.000 0.000 -0.875) 0.875 15.876 ( 0.000 0.000 0.875) 0.875 16.060 ( 0.000 0.000 -4.004) 4.004 16.060 ( 0.000 0.000 4.004) 4.004 16.521 ( 0.000 0.000 -1.543) 1.543 16.521 ( 0.000 0.000 1.543) 1.543 16.595 ( 0.000 0.000 -14.179) 14.179 16.595 ( 0.000 0.000 14.179) 14.179 16.806 ( 0.000 0.000 -5.421) 5.421 16.806 ( 0.000 0.000 5.421) 5.421 18.020 ( 0.000 0.000 -0.239) 0.239 18.020 ( 0.000 0.000 0.239) 0.239 18.816 ( 0.001 0.000 -8.086) 8.086 18.816 ( 0.000 0.000 8.086) 8.086 18.820 ( -0.001 -0.000 -8.621) 8.621 18.820 ( -0.000 -0.000 8.621) 8.621 19.708 ( 0.000 0.000 -3.518) 3.518 19.708 ( 0.000 0.000 3.518) 3.518 20.042 ( 0.000 0.000 -3.212) 3.212 20.042 ( 0.000 0.000 3.212) 3.212 20.160 ( -0.000 -0.000 -3.549) 3.549 20.160 ( -0.000 -0.000 3.549) 3.549 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 9.733 16.858 -36.987) 41.797 2.237 ( 9.733 16.858 36.987) 41.797 2.364 ( 9.734 16.859 -33.578) 38.813 2.364 ( 9.734 16.859 33.578) 38.813 4.323 ( 19.284 33.401 -46.700) 60.567 4.323 ( 19.284 33.401 46.700) 60.567 4.590 ( 2.811 4.869 -10.233) 11.676 4.590 ( 2.811 4.869 10.233) 11.676 5.032 ( 10.994 19.042 -9.081) 23.789 5.032 ( 10.994 19.042 9.081) 23.789 5.164 ( -0.561 -0.971 -5.393) 5.508 5.164 ( -0.561 -0.971 5.393) 5.508 5.607 ( -4.765 -8.254 -3.677) 10.215 5.607 ( -4.765 -8.254 3.677) 10.215 5.742 ( -8.791 -15.226 -4.201) 18.076 5.742 ( -8.791 -15.226 4.201) 18.076 5.755 ( -6.788 -11.757 -2.200) 13.753 5.755 ( -6.788 -11.757 2.200) 13.753 6.002 ( 0.562 0.973 -3.840) 4.001 6.002 ( 0.562 0.973 3.840) 4.001 6.427 ( 5.140 8.902 -14.483) 17.760 6.427 ( 5.140 8.902 14.483) 17.760 7.420 ( -2.546 -4.409 -20.194) 20.826 7.420 ( -2.546 -4.409 20.194) 20.826 7.756 ( -5.232 -9.063 -17.754) 20.609 7.756 ( -5.232 -9.063 17.754) 20.609 8.357 ( -9.219 -15.967 -8.344) 20.238 8.357 ( -9.219 -15.967 8.344) 20.238 8.406 ( -10.414 -18.038 -8.355) 22.442 8.406 ( -10.414 -18.038 8.355) 22.442 8.541 ( -3.704 -6.416 -2.728) 7.895 8.541 ( -3.704 -6.416 2.728) 7.895 8.951 ( -0.878 -1.521 -1.176) 2.114 8.951 ( -0.878 -1.521 1.176) 2.114 9.414 ( -3.984 -6.901 -1.501) 8.108 9.414 ( -3.984 -6.901 1.501) 8.108 9.749 ( -0.569 -0.986 -3.517) 3.696 9.749 ( -0.569 -0.986 3.517) 3.696 10.090 ( -0.917 -1.589 -16.515) 16.617 10.090 ( -0.917 -1.589 16.515) 16.617 10.352 ( 2.428 4.206 -7.091) 8.595 10.352 ( 2.428 4.206 7.091) 8.595 10.363 ( 0.607 1.052 -13.023) 13.080 10.363 ( 0.607 1.052 13.023) 13.080 10.653 ( 5.355 9.275 -17.908) 20.866 10.653 ( 5.355 9.275 17.908) 20.866 10.670 ( 4.077 7.062 -15.958) 17.921 10.670 ( 4.077 7.062 15.958) 17.921 11.329 ( -3.686 -6.384 -8.686) 11.393 11.329 ( -3.686 -6.384 8.686) 11.393 11.383 ( -1.468 -2.544 -5.382) 6.131 11.383 ( -1.468 -2.544 5.382) 6.131 11.894 ( -4.464 -7.732 -19.647) 21.581 11.894 ( -4.464 -7.732 19.647) 21.581 12.008 ( -2.442 -4.229 -6.209) 7.899 12.008 ( -2.442 -4.229 6.209) 7.899 12.276 ( -2.789 -4.830 -17.718) 18.575 12.276 ( -2.789 -4.830 17.718) 18.575 12.301 ( -0.143 -0.247 -3.090) 3.104 12.301 ( -0.143 -0.247 3.090) 3.104 13.478 ( 3.550 6.148 -9.994) 12.259 13.478 ( 3.550 6.148 9.994) 12.259 13.494 ( 3.212 5.563 -12.823) 14.342 13.494 ( 3.212 5.563 12.823) 14.342 14.647 ( -0.668 -1.156 -8.962) 9.061 14.647 ( -0.668 -1.156 8.962) 9.061 15.323 ( 4.985 8.635 -1.563) 10.092 15.323 ( 4.985 8.635 1.563) 10.092 15.532 ( -0.184 -0.319 -4.907) 4.920 15.532 ( -0.184 -0.319 4.907) 4.920 15.896 ( 3.698 6.404 -1.733) 7.595 15.896 ( 3.698 6.404 1.733) 7.595 16.432 ( 7.701 13.339 -14.002) 20.816 16.432 ( 7.701 13.339 14.002) 20.816 16.777 ( -5.015 -8.686 -4.975) 11.196 16.777 ( -5.015 -8.686 4.975) 11.196 16.999 ( -1.489 -2.579 -4.403) 5.316 16.999 ( -1.489 -2.579 4.403) 5.316 17.893 ( -0.166 -0.288 -3.378) 3.394 17.893 ( -0.166 -0.288 3.378) 3.394 17.987 ( 1.689 2.926 -2.599) 4.262 17.987 ( 1.689 2.926 2.599) 4.262 19.434 ( -0.251 -0.434 -1.621) 1.697 19.434 ( -0.251 -0.434 1.621) 1.697 19.508 ( 1.867 3.234 -1.779) 4.136 19.508 ( 1.867 3.234 1.779) 4.136 19.909 ( 1.255 2.174 -11.652) 11.919 19.909 ( 1.255 2.174 11.652) 11.919 20.796 ( -7.093 -12.285 -4.835) 14.987 20.796 ( -7.093 -12.285 4.835) 14.987 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 11.582 23.192 -14.712) 29.807 2.639 ( 11.582 23.192 14.712) 29.807 2.822 ( 23.654 14.935 -15.588) 32.024 2.822 ( 23.654 14.935 15.588) 32.024 4.676 ( 1.866 1.827 -8.271) 8.674 4.676 ( 1.866 1.827 8.271) 8.674 4.935 ( -0.613 0.066 -11.989) 12.005 4.935 ( -0.613 0.066 11.989) 12.005 5.064 ( 0.264 5.999 -7.856) 9.888 5.064 ( 0.264 5.999 7.856) 9.888 5.172 ( 6.885 1.153 -3.843) 7.969 5.172 ( 6.885 1.153 3.843) 7.969 5.397 ( -10.786 -4.904 -4.678) 12.738 5.397 ( -10.786 -4.904 4.678) 12.738 5.543 ( 0.630 -10.716 -3.992) 11.452 5.543 ( 0.630 -10.716 3.992) 11.452 5.871 ( 16.461 20.289 -7.640) 27.221 5.871 ( 16.461 20.289 7.640) 27.221 6.036 ( 1.037 3.841 -6.349) 7.493 6.036 ( 1.037 3.841 6.349) 7.493 6.624 ( 7.350 8.834 -11.942) 16.573 6.624 ( 7.350 8.834 11.942) 16.573 7.209 ( -12.018 -12.138 -13.059) 21.501 7.209 ( -12.018 -12.138 13.059) 21.501 7.480 ( -12.336 -18.567 -5.060) 22.859 7.480 ( -12.336 -18.567 5.060) 22.859 7.955 ( -16.343 4.813 -5.906) 18.032 7.955 ( -16.343 4.813 5.906) 18.032 8.291 ( 6.633 -13.213 -5.785) 15.876 8.291 ( 6.633 -13.213 5.785) 15.876 8.431 ( -3.975 -1.265 -1.177) 4.334 8.431 ( -3.975 -1.265 1.177) 4.334 8.923 ( 2.048 -4.666 -0.327) 5.106 8.923 ( 2.048 -4.666 0.327) 5.106 9.298 ( -3.649 -3.051 -1.621) 5.025 9.298 ( -3.649 -3.051 1.621) 5.025 9.739 ( -0.283 0.124 -3.399) 3.413 9.739 ( -0.283 0.124 3.399) 3.413 10.023 ( -3.389 -4.027 -15.637) 16.499 10.023 ( -3.389 -4.027 15.637) 16.499 10.300 ( -4.666 0.204 -4.616) 6.566 10.300 ( -4.666 0.204 4.616) 6.566 10.399 ( 0.169 -2.451 -8.271) 8.628 10.399 ( 0.169 -2.451 8.271) 8.628 10.758 ( -2.489 8.204 -10.210) 13.332 10.758 ( -2.489 8.204 10.210) 13.332 10.918 ( 11.663 4.748 -19.962) 23.601 10.918 ( 11.663 4.748 19.962) 23.601 11.161 ( -6.283 -6.501 -8.435) 12.365 11.161 ( -6.283 -6.501 8.435) 12.365 11.323 ( -3.299 -1.961 -6.967) 7.954 11.323 ( -3.299 -1.961 6.967) 7.954 11.735 ( -3.921 -7.324 -12.115) 14.689 11.735 ( -3.921 -7.324 12.115) 14.689 11.936 ( -2.995 -2.661 -7.299) 8.326 11.936 ( -2.995 -2.661 7.299) 8.326 12.167 ( -3.026 -4.577 -14.716) 15.706 12.167 ( -3.026 -4.577 14.716) 15.706 12.273 ( -1.362 -1.560 -2.873) 3.542 12.273 ( -1.362 -1.560 2.873) 3.542 13.547 ( -0.753 7.002 -9.374) 11.725 13.547 ( -0.753 7.002 9.374) 11.725 13.689 ( 11.594 2.208 -18.441) 21.895 13.689 ( 11.594 2.208 18.441) 21.895 14.509 ( -6.757 -7.972 -8.395) 13.405 14.509 ( -6.757 -7.972 8.395) 13.405 15.499 ( -0.538 7.241 -2.907) 7.821 15.499 ( -0.538 7.241 2.907) 7.821 15.620 ( 10.151 4.251 -2.080) 11.199 15.620 ( 10.151 4.251 2.080) 11.199 16.020 ( 2.445 7.150 -0.307) 7.562 16.020 ( 2.445 7.150 0.307) 7.562 16.506 ( -3.348 -4.976 -14.099) 15.322 16.506 ( -3.348 -4.976 14.099) 15.322 16.719 ( 1.825 1.872 -6.776) 7.263 16.719 ( 1.825 1.872 6.776) 7.263 16.925 ( -2.805 -4.267 -3.798) 6.365 16.925 ( -2.805 -4.267 3.798) 6.365 17.926 ( 2.107 3.484 -3.972) 5.688 17.926 ( 2.107 3.484 3.972) 5.688 18.084 ( 5.534 4.776 -3.703) 8.194 18.084 ( 5.534 4.776 3.703) 8.194 19.398 ( -2.724 -3.310 -2.176) 4.808 19.398 ( -2.724 -3.310 2.176) 4.808 19.588 ( 2.999 3.880 -1.935) 5.271 19.588 ( 2.999 3.880 1.935) 5.271 19.921 ( -0.156 -0.885 -10.642) 10.679 19.921 ( -0.156 -0.885 10.642) 10.679 20.554 ( -7.873 -8.237 -7.171) 13.463 20.554 ( -7.873 -8.237 7.171) 13.463 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 16.113 19.982 -7.145) 26.645 3.100 ( 16.113 19.982 7.145) 26.645 3.423 ( 26.110 14.769 -7.133) 30.834 3.423 ( 26.110 14.769 7.133) 30.834 4.550 ( -12.618 -10.986 -2.815) 16.965 4.550 ( -12.618 -10.986 2.815) 16.965 4.612 ( -12.681 -11.918 -3.508) 17.753 4.612 ( -12.681 -11.918 3.508) 17.753 4.880 ( -10.184 -10.302 -3.878) 14.996 4.880 ( -10.184 -10.302 3.878) 14.996 5.203 ( 0.008 0.373 -4.934) 4.948 5.203 ( 0.008 0.373 4.934) 4.948 5.540 ( 7.620 -2.448 -6.621) 10.387 5.540 ( 7.620 -2.448 6.621) 10.387 5.797 ( 19.621 19.128 -7.531) 28.418 5.797 ( 19.621 19.128 7.531) 28.418 6.068 ( 0.327 5.335 -8.225) 9.809 6.068 ( 0.327 5.335 8.225) 9.809 6.292 ( 7.762 6.237 -4.979) 11.133 6.292 ( 7.762 6.237 4.979) 11.133 6.764 ( -7.856 -3.586 -12.370) 15.086 6.764 ( -7.856 -3.586 12.370) 15.086 6.881 ( -7.043 -9.395 -5.481) 12.958 6.881 ( -7.043 -9.395 5.481) 12.958 7.155 ( -0.832 6.141 -2.978) 6.875 7.155 ( -0.832 6.141 2.978) 6.875 7.910 ( 0.326 7.150 -7.057) 10.052 7.910 ( 0.326 7.150 7.057) 10.052 8.136 ( -12.140 -5.057 -3.978) 13.740 8.136 ( -12.140 -5.057 3.978) 13.740 8.501 ( 9.500 -0.690 -5.398) 10.949 8.501 ( 9.500 -0.690 5.398) 10.949 8.945 ( 5.981 -5.221 -4.045) 8.910 8.945 ( 5.981 -5.221 4.045) 8.910 9.229 ( -0.992 -2.052 -3.165) 3.900 9.229 ( -0.992 -2.052 3.165) 3.900 9.716 ( -3.774 1.101 -4.305) 5.830 9.716 ( -3.774 1.101 4.305) 5.830 9.920 ( -3.521 -1.943 -8.679) 9.565 9.920 ( -3.521 -1.943 8.679) 9.565 10.241 ( -1.520 -1.026 -9.236) 9.416 10.241 ( -1.520 -1.026 9.236) 9.416 10.329 ( -4.690 -3.306 -5.496) 7.945 10.329 ( -4.690 -3.306 5.496) 7.945 10.705 ( -8.461 2.435 -5.054) 10.152 10.705 ( -8.461 2.435 5.054) 10.152 10.980 ( -3.926 -5.268 -12.555) 14.170 10.980 ( -3.926 -5.268 12.555) 14.170 11.097 ( 0.513 -1.405 -21.379) 21.432 11.097 ( 0.513 -1.405 21.379) 21.432 11.288 ( 1.093 4.815 -3.001) 5.778 11.288 ( 1.093 4.815 3.001) 5.778 11.620 ( -2.297 -5.092 -6.532) 8.594 11.620 ( -2.297 -5.092 6.532) 8.594 11.813 ( -8.281 -1.884 -1.302) 8.592 11.813 ( -8.281 -1.884 1.302) 8.592 12.120 ( 3.347 -5.204 -13.774) 15.100 12.120 ( 3.347 -5.204 13.774) 15.100 12.245 ( 1.181 -3.173 -3.028) 4.543 12.245 ( 1.181 -3.173 3.028) 4.543 13.624 ( 2.322 6.381 -8.423) 10.819 13.624 ( 2.322 6.381 8.423) 10.819 13.899 ( 10.321 -0.736 -22.254) 24.542 13.899 ( 10.321 -0.736 22.254) 24.542 14.302 ( -7.216 -7.432 -7.161) 12.593 14.302 ( -7.216 -7.432 7.161) 12.593 15.536 ( -0.957 4.391 -4.325) 6.237 15.536 ( -0.957 4.391 4.325) 6.237 15.805 ( 4.808 3.583 -2.699) 6.576 15.805 ( 4.808 3.583 2.699) 6.576 16.106 ( -0.883 5.645 -2.011) 6.058 16.106 ( -0.883 5.645 2.011) 6.058 16.431 ( 1.204 -2.185 -10.728) 11.014 16.431 ( 1.204 -2.185 10.728) 11.014 16.709 ( -3.132 -2.060 -7.266) 8.176 16.709 ( -3.132 -2.060 7.266) 8.176 16.836 ( -1.602 -4.664 -3.147) 5.850 16.836 ( -1.602 -4.664 3.147) 5.850 18.006 ( 1.142 5.148 -3.437) 6.294 18.006 ( 1.142 5.148 3.437) 6.294 18.294 ( 12.261 6.113 -6.623) 15.217 18.294 ( 12.261 6.113 6.623) 15.217 19.243 ( -8.188 -8.702 -6.164) 13.444 19.243 ( -8.188 -8.702 6.164) 13.444 19.677 ( 2.144 3.948 -2.274) 5.035 19.677 ( 2.144 3.948 2.274) 5.035 19.926 ( 2.087 0.499 -7.162) 7.476 19.926 ( 2.087 0.499 7.162) 7.476 20.359 ( -7.055 -5.024 -5.908) 10.484 20.359 ( -7.055 -5.024 5.908) 10.484 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 19.399 14.599 -6.898) 25.239 3.592 ( 19.399 14.599 6.898) 25.239 3.964 ( 17.177 8.695 -5.853) 20.123 3.964 ( 17.177 8.695 5.853) 20.123 4.132 ( -17.567 -10.704 -6.091) 21.454 4.132 ( -17.567 -10.704 6.091) 21.454 4.365 ( -3.342 -4.713 -4.366) 7.242 4.365 ( -3.342 -4.713 4.366) 7.242 4.554 ( -14.530 -9.843 -5.188) 18.301 4.554 ( -14.530 -9.843 5.188) 18.301 5.248 ( 6.110 -6.398 -5.784) 10.569 5.248 ( 6.110 -6.398 5.784) 10.569 5.739 ( 13.016 4.379 -6.541) 15.211 5.739 ( 13.016 4.379 6.541) 15.211 6.004 ( -4.582 -2.054 -3.486) 6.113 6.004 ( -4.582 -2.054 3.486) 6.113 6.096 ( -3.410 -3.212 -3.122) 5.629 6.096 ( -3.410 -3.212 3.122) 5.629 6.359 ( -1.808 5.188 -10.129) 11.523 6.359 ( -1.808 5.188 10.129) 11.523 6.598 ( 0.243 -0.395 -12.246) 12.255 6.598 ( 0.243 -0.395 12.246) 12.255 6.767 ( -2.107 3.863 -8.367) 9.454 6.767 ( -2.107 3.863 8.367) 9.454 7.397 ( 5.519 10.648 -17.238) 21.000 7.397 ( 5.519 10.648 17.238) 21.000 7.846 ( -12.670 0.251 -14.699) 19.408 7.846 ( -12.670 0.251 14.699) 19.408 8.057 ( 5.544 2.942 -4.891) 7.957 8.057 ( 5.544 2.942 4.891) 7.957 8.615 ( 3.457 -1.324 -6.522) 7.499 8.615 ( 3.457 -1.324 6.522) 7.499 8.990 ( 4.424 -6.341 -5.628) 9.564 8.990 ( 4.424 -6.341 5.628) 9.564 9.227 ( 2.083 -1.101 -4.801) 5.348 9.227 ( 2.083 -1.101 4.801) 5.348 9.669 ( -3.295 4.384 -3.860) 6.706 9.669 ( -3.295 4.384 3.860) 6.706 9.907 ( 1.673 5.448 -4.557) 7.296 9.907 ( 1.673 5.448 4.557) 7.296 10.103 ( -12.609 -2.849 -6.682) 14.552 10.103 ( -12.609 -2.849 6.682) 14.552 10.266 ( 0.386 -0.550 -6.865) 6.898 10.266 ( 0.386 -0.550 6.865) 6.898 10.602 ( -0.693 -4.079 -9.266) 10.147 10.602 ( -0.693 -4.079 9.266) 10.147 10.888 ( -2.859 0.861 -19.219) 19.450 10.888 ( -2.859 0.861 19.219) 19.450 11.033 ( -1.281 -4.477 -24.065) 24.512 11.033 ( -1.281 -4.477 24.065) 24.512 11.412 ( 3.061 7.626 -6.876) 10.715 11.412 ( 3.061 7.626 6.876) 10.715 11.546 ( -3.040 -0.306 -5.353) 6.164 11.546 ( -3.040 -0.306 5.353) 6.164 11.650 ( -7.137 -0.847 -5.043) 8.780 11.650 ( -7.137 -0.847 5.043) 8.780 12.148 ( 6.534 -8.360 -13.899) 17.486 12.148 ( 6.534 -8.360 13.899) 17.486 12.240 ( 2.230 -4.205 -3.075) 5.666 12.240 ( 2.230 -4.205 3.075) 5.666 13.754 ( 4.905 5.009 -7.997) 10.635 13.754 ( 4.905 5.009 7.997) 10.635 13.966 ( -1.297 -4.032 -14.877) 15.468 13.966 ( -1.297 -4.032 14.877) 15.468 14.168 ( 1.154 -5.345 -12.793) 13.913 14.168 ( 1.154 -5.345 12.793) 13.913 15.557 ( -1.957 4.647 -5.463) 7.434 15.557 ( -1.957 4.647 5.463) 7.434 15.866 ( 0.980 0.025 -1.600) 1.876 15.866 ( 0.980 0.025 1.600) 1.876 16.115 ( -3.030 4.979 -2.750) 6.445 16.115 ( -3.030 4.979 2.750) 6.445 16.488 ( 4.049 0.993 -6.071) 7.365 16.488 ( 4.049 0.993 6.071) 7.365 16.613 ( -3.493 -3.028 -9.862) 10.892 16.613 ( -3.493 -3.028 9.862) 10.892 16.780 ( 0.394 -3.950 -4.946) 6.342 16.780 ( 0.394 -3.950 4.946) 6.342 18.055 ( -1.295 4.660 -3.735) 6.111 18.055 ( -1.295 4.660 3.735) 6.111 18.612 ( 16.222 6.029 -9.000) 19.507 18.612 ( 16.222 6.029 9.000) 19.507 18.956 ( -12.181 -11.518 -9.113) 19.081 18.956 ( -12.181 -11.518 9.113) 19.081 19.729 ( -0.439 3.227 -3.398) 4.707 19.729 ( -0.439 3.227 3.398) 4.707 20.007 ( 4.484 2.114 -3.976) 6.355 20.007 ( 4.484 2.114 3.976) 6.355 20.202 ( -5.601 -3.284 -4.642) 7.982 20.202 ( -5.601 -3.284 4.642) 7.982 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 10.489 18.168 -21.755) 30.222 3.113 ( 10.489 18.168 21.755) 30.222 3.204 ( 15.690 27.175 -18.058) 36.204 3.204 ( 15.690 27.175 18.058) 36.204 4.598 ( -6.506 -11.269 -3.714) 13.532 4.598 ( -6.506 -11.269 3.714) 13.532 4.671 ( -9.609 -16.643 -4.118) 19.654 4.671 ( -9.609 -16.643 4.118) 19.654 4.903 ( -5.024 -8.702 -4.396) 10.968 4.903 ( -5.024 -8.702 4.396) 10.968 5.259 ( -5.928 -10.268 -4.995) 12.866 5.259 ( -5.928 -10.268 4.995) 12.866 5.414 ( 2.308 3.998 -8.699) 9.848 5.414 ( 2.308 3.998 8.699) 9.848 5.715 ( 16.155 27.981 -9.995) 33.820 5.715 ( 16.155 27.981 9.995) 33.820 6.104 ( 1.605 2.781 -10.478) 10.959 6.104 ( 1.605 2.781 10.478) 10.959 6.243 ( 6.725 11.648 -3.435) 13.881 6.243 ( 6.725 11.648 3.435) 13.881 6.819 ( 3.916 6.783 -13.703) 15.783 6.819 ( 3.916 6.783 13.703) 15.783 6.882 ( -10.303 -17.845 -9.536) 22.705 6.882 ( -10.303 -17.845 9.536) 22.705 7.219 ( -1.292 -2.238 -5.165) 5.776 7.219 ( -1.292 -2.238 5.165) 5.776 8.039 ( -1.217 -2.108 -4.695) 5.288 8.039 ( -1.217 -2.108 4.695) 5.288 8.113 ( 0.102 0.176 -5.876) 5.880 8.113 ( 0.102 0.176 5.876) 5.880 8.456 ( 2.258 3.912 -1.227) 4.680 8.456 ( 2.258 3.912 1.227) 4.680 8.818 ( -2.475 -4.286 -1.854) 5.285 8.818 ( -2.475 -4.286 1.854) 5.285 9.237 ( -1.866 -3.232 -2.755) 4.639 9.237 ( -1.866 -3.232 2.755) 4.639 9.757 ( 0.934 1.618 -4.264) 4.656 9.757 ( 0.934 1.618 4.264) 4.656 9.921 ( -2.911 -5.041 -14.431) 15.561 9.921 ( -2.911 -5.041 14.431) 15.561 10.262 ( -1.728 -2.993 -10.755) 11.297 10.262 ( -1.728 -2.993 10.755) 11.297 10.337 ( -2.244 -3.887 -4.285) 6.205 10.337 ( -2.244 -3.887 4.285) 6.205 10.918 ( 1.308 2.266 -17.409) 17.605 10.918 ( 1.308 2.266 17.409) 17.605 10.927 ( -1.466 -2.539 -0.393) 2.958 10.927 ( -1.466 -2.539 0.393) 2.958 11.090 ( 0.860 1.489 -9.610) 9.762 11.090 ( 0.860 1.489 9.610) 9.762 11.284 ( -1.239 -2.146 -8.547) 8.899 11.284 ( -1.239 -2.146 8.547) 8.899 11.598 ( -2.877 -4.984 -4.874) 7.541 11.598 ( -2.877 -4.984 4.874) 7.541 11.867 ( -2.538 -4.396 -13.112) 14.060 11.867 ( -2.538 -4.396 13.112) 14.060 12.082 ( -2.117 -3.666 -8.505) 9.501 12.082 ( -2.117 -3.666 8.505) 9.501 12.203 ( -2.739 -4.745 -2.987) 6.240 12.203 ( -2.739 -4.745 2.987) 6.240 13.702 ( 2.717 4.706 -15.775) 16.685 13.702 ( 2.717 4.706 15.775) 16.685 13.726 ( 2.959 5.125 -18.566) 19.486 13.726 ( 2.959 5.125 18.566) 19.486 14.330 ( -5.343 -9.255 -7.319) 12.952 14.330 ( -5.343 -9.255 7.319) 12.952 15.576 ( 1.318 2.283 -5.893) 6.455 15.576 ( 1.318 2.283 5.893) 6.455 15.771 ( 4.243 7.349 -4.679) 9.690 15.771 ( 4.243 7.349 4.679) 9.690 16.162 ( 3.750 6.495 -1.137) 7.586 16.162 ( 3.750 6.495 1.137) 7.586 16.398 ( -2.356 -4.080 -9.455) 10.564 16.398 ( -2.356 -4.080 9.455) 10.564 16.729 ( -0.920 -1.594 -9.670) 9.844 16.729 ( -0.920 -1.594 9.670) 9.844 16.820 ( -3.257 -5.641 -3.981) 7.634 16.820 ( -3.257 -5.641 3.981) 7.634 18.036 ( 3.965 6.868 -6.316) 10.138 18.036 ( 3.965 6.868 6.316) 10.138 18.202 ( 4.148 7.184 -6.810) 10.733 18.202 ( 4.148 7.184 6.810) 10.733 19.269 ( -5.640 -9.769 -6.524) 13.031 19.269 ( -5.640 -9.769 6.524) 13.031 19.681 ( 2.928 5.072 -2.439) 6.344 19.681 ( 2.928 5.072 2.439) 6.344 19.908 ( 0.208 0.361 -8.335) 8.346 19.908 ( 0.208 0.361 8.335) 8.346 20.399 ( -4.152 -7.191 -6.624) 10.622 20.399 ( -4.152 -7.191 6.624) 10.622 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 11.822 14.621 -14.546) 23.772 3.466 ( 11.822 14.621 14.546) 23.772 3.765 ( 18.607 19.394 -11.795) 29.351 3.765 ( 18.607 19.394 11.795) 29.351 4.276 ( -12.391 -14.451 -6.015) 19.963 4.276 ( -12.391 -14.451 6.015) 19.963 4.375 ( -6.356 -10.428 -7.009) 14.081 4.375 ( -6.356 -10.428 7.009) 14.081 4.717 ( -11.424 -5.976 -7.579) 14.956 4.717 ( -11.424 -5.976 7.579) 14.956 5.079 ( 0.844 -11.698 -5.717) 13.047 5.079 ( 0.844 -11.698 5.717) 13.047 5.581 ( 9.402 6.280 -8.258) 14.001 5.581 ( 9.402 6.280 8.258) 14.001 6.045 ( -1.191 0.229 -10.395) 10.465 6.045 ( -1.191 0.229 10.395) 10.465 6.107 ( -2.256 -4.027 -6.909) 8.309 6.107 ( -2.256 -4.027 6.909) 8.309 6.419 ( 5.227 11.528 -8.729) 15.376 6.419 ( 5.227 11.528 8.729) 15.376 6.603 ( -4.122 -5.637 -13.179) 14.914 6.603 ( -4.122 -5.637 13.179) 14.914 6.837 ( -0.736 3.159 -10.842) 11.317 6.837 ( -0.736 3.159 10.842) 11.317 7.428 ( 7.163 15.783 -13.144) 21.752 7.428 ( 7.163 15.783 13.144) 21.752 7.992 ( -1.501 -1.688 -4.972) 5.461 7.992 ( -1.501 -1.688 4.972) 5.461 8.087 ( -5.439 2.253 -2.782) 6.511 8.087 ( -5.439 2.253 2.782) 6.511 8.558 ( 1.705 5.489 -2.937) 6.455 8.558 ( 1.705 5.489 2.937) 6.455 8.806 ( 7.596 -7.988 -1.961) 11.196 8.806 ( 7.596 -7.988 1.961) 11.196 9.174 ( -0.707 -3.910 -5.210) 6.552 9.174 ( -0.707 -3.910 5.210) 6.552 9.773 ( -2.652 4.850 -3.771) 6.691 9.773 ( -2.652 4.850 3.771) 6.691 9.902 ( 3.871 1.485 -6.758) 7.929 9.902 ( 3.871 1.485 6.758) 7.929 10.212 ( -3.784 -2.474 -6.539) 7.950 10.212 ( -3.784 -2.474 6.539) 7.950 10.253 ( 0.564 -2.358 -6.210) 6.667 10.253 ( 0.564 -2.358 6.210) 6.667 10.758 ( -15.275 2.044 -7.213) 17.016 10.758 ( -15.275 2.044 7.213) 17.016 10.925 ( 0.359 -2.006 -13.210) 13.366 10.925 ( 0.359 -2.006 13.210) 13.366 11.057 ( -7.047 -0.440 -13.107) 14.888 11.057 ( -7.047 -0.440 13.107) 14.888 11.332 ( 10.174 -4.080 -8.116) 13.639 11.332 ( 10.174 -4.080 8.116) 13.639 11.562 ( 0.446 1.166 -4.178) 4.361 11.562 ( 0.446 1.166 4.178) 4.361 11.770 ( -4.429 -2.266 -10.525) 11.642 11.770 ( -4.429 -2.266 10.525) 11.642 11.999 ( -2.412 -5.098 -6.835) 8.862 11.999 ( -2.412 -5.098 6.835) 8.862 12.129 ( 2.551 -8.094 -3.160) 9.056 12.129 ( 2.551 -8.094 3.160) 9.056 13.759 ( 0.615 6.260 -12.959) 14.405 13.759 ( 0.615 6.260 12.959) 14.405 13.864 ( 6.808 -1.665 -18.657) 19.930 13.864 ( 6.808 -1.665 18.657) 19.930 14.154 ( -4.796 -6.745 -9.192) 12.369 14.154 ( -4.796 -6.745 9.192) 12.369 15.623 ( 0.229 4.153 -4.593) 6.197 15.623 ( 0.229 4.153 4.593) 6.197 15.850 ( 0.680 0.057 -3.641) 3.704 15.850 ( 0.680 0.057 3.641) 3.704 16.244 ( -3.083 7.951 -2.691) 8.942 16.244 ( -3.083 7.951 2.691) 8.942 16.403 ( 5.711 -0.361 -7.286) 9.264 16.403 ( 5.711 -0.361 7.286) 9.264 16.650 ( -4.406 -3.641 -8.238) 10.026 16.650 ( -4.406 -3.641 8.238) 10.026 16.726 ( -0.440 -5.960 -3.029) 6.700 16.726 ( -0.440 -5.960 3.029) 6.700 18.152 ( -0.942 9.184 -7.011) 11.592 18.152 ( -0.942 9.184 7.011) 11.592 18.403 ( 12.372 4.511 -9.455) 16.211 18.403 ( 12.372 4.511 9.455) 16.211 19.016 ( -9.248 -13.282 -10.510) 19.297 19.016 ( -9.248 -13.282 10.510) 19.297 19.775 ( 0.992 5.618 -2.907) 6.403 19.775 ( 0.992 5.618 2.907) 6.403 19.950 ( 3.447 1.581 -5.547) 6.720 19.950 ( 3.447 1.581 5.547) 6.720 20.257 ( -4.966 -5.241 -5.900) 9.324 20.257 ( -4.966 -5.241 5.900) 9.324 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 1.107 -1.917 -9.649) 9.900 3.749 ( 1.107 -1.917 9.649) 9.900 3.965 ( -0.946 1.638 -9.535) 9.721 3.965 ( -0.946 1.638 9.535) 9.721 4.105 ( 0.528 -0.915 -8.632) 8.696 4.105 ( 0.528 -0.915 8.632) 8.696 4.382 ( 0.091 -0.157 -9.523) 9.525 4.382 ( 0.091 -0.157 9.523) 9.525 4.403 ( -2.497 4.324 -7.787) 9.250 4.403 ( -2.497 4.324 7.787) 9.250 5.038 ( 7.452 -12.908 -6.613) 16.306 5.038 ( 7.452 -12.908 6.613) 16.306 5.824 ( 0.553 -0.958 -6.243) 6.340 5.824 ( 0.553 -0.958 6.243) 6.340 5.866 ( 1.475 -2.555 -9.466) 9.915 5.866 ( 1.475 -2.555 9.466) 9.915 6.039 ( 2.126 -3.682 -7.684) 8.782 6.039 ( 2.126 -3.682 7.684) 8.782 6.484 ( -3.586 6.212 -19.314) 20.603 6.484 ( -3.586 6.212 19.314) 20.603 6.616 ( -0.280 0.485 -20.382) 20.389 6.616 ( -0.280 0.485 20.382) 20.389 6.890 ( -3.814 6.607 -17.874) 19.434 6.890 ( -3.814 6.607 17.874) 19.434 7.589 ( -4.612 7.989 -18.856) 20.992 7.589 ( -4.612 7.989 18.856) 20.992 7.917 ( -1.957 3.390 -13.459) 14.017 7.917 ( -1.957 3.390 13.459) 14.017 8.077 ( -1.373 2.378 -5.779) 6.398 8.077 ( -1.373 2.378 5.779) 6.398 8.600 ( 0.292 -0.505 -10.448) 10.464 8.600 ( 0.292 -0.505 10.448) 10.464 8.836 ( 5.155 -8.929 -4.629) 11.301 8.836 ( 5.155 -8.929 4.629) 11.301 9.150 ( 3.005 -5.204 -6.814) 9.085 9.150 ( 3.005 -5.204 6.814) 9.085 9.781 ( -3.328 5.765 -2.405) 7.078 9.781 ( -3.328 5.765 2.405) 7.078 10.043 ( -0.149 0.258 -2.413) 2.432 10.043 ( -0.149 0.258 2.413) 2.432 10.065 ( -1.220 2.112 -5.054) 5.612 10.065 ( -1.220 2.112 5.054) 5.612 10.320 ( -4.163 7.211 -12.782) 15.255 10.320 ( -4.163 7.211 12.782) 15.255 10.541 ( -1.183 2.050 -13.334) 13.543 10.541 ( -1.183 2.050 13.334) 13.543 10.949 ( 2.272 -3.935 -18.248) 18.805 10.949 ( 2.272 -3.935 18.248) 18.805 10.953 ( -2.578 4.466 -19.842) 20.501 10.953 ( -2.578 4.466 19.842) 20.501 11.418 ( 5.793 -10.033 -13.137) 17.515 11.418 ( 5.793 -10.033 13.137) 17.515 11.608 ( -3.050 5.282 -3.461) 7.013 11.608 ( -3.050 5.282 3.461) 7.013 11.681 ( -2.698 4.674 -5.456) 7.674 11.681 ( -2.698 4.674 5.456) 7.674 11.945 ( 4.743 -8.215 -10.562) 14.196 11.945 ( 4.743 -8.215 10.562) 14.196 12.114 ( 4.676 -8.099 -3.832) 10.107 12.114 ( 4.676 -8.099 3.832) 10.107 13.824 ( -0.874 1.515 -11.869) 11.998 13.824 ( -0.874 1.515 11.869) 11.998 13.898 ( 1.451 -2.514 -16.834) 17.083 13.898 ( 1.451 -2.514 16.834) 17.083 14.071 ( 1.736 -3.006 -10.198) 10.773 14.071 ( 1.736 -3.006 10.198) 10.773 15.652 ( -2.459 4.258 -4.005) 6.342 15.652 ( -2.459 4.258 4.005) 6.342 15.843 ( 1.206 -2.090 -2.186) 3.256 15.843 ( 1.206 -2.090 2.186) 3.256 16.255 ( -4.643 8.041 -3.198) 9.820 16.255 ( -4.643 8.041 3.198) 9.820 16.504 ( 0.276 -0.479 -4.173) 4.209 16.504 ( 0.276 -0.479 4.173) 4.209 16.548 ( 1.409 -2.441 -12.645) 12.955 16.548 ( 1.409 -2.441 12.645) 12.955 16.689 ( 2.703 -4.682 -3.440) 6.407 16.689 ( 2.703 -4.682 3.440) 6.407 18.189 ( -4.878 8.449 -7.502) 12.307 18.189 ( -4.878 8.449 7.502) 12.307 18.679 ( 3.409 -5.904 -10.649) 12.644 18.679 ( 3.409 -5.904 10.649) 12.644 18.724 ( 2.435 -4.217 -12.158) 13.097 18.724 ( 2.435 -4.217 12.158) 13.097 19.813 ( -2.772 4.802 -3.620) 6.622 19.813 ( -2.772 4.802 3.620) 6.622 20.020 ( 0.934 -1.618 -4.129) 4.532 20.020 ( 0.934 -1.618 4.129) 4.532 20.157 ( 0.390 -0.675 -6.250) 6.299 20.157 ( 0.390 -0.675 6.250) 6.299 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 4.408 7.634 -11.080) 14.159 3.692 ( 4.408 7.634 11.080) 14.159 4.041 ( -4.070 -7.049 -8.684) 11.903 4.041 ( -4.070 -7.049 8.684) 11.903 4.046 ( 0.853 1.478 -8.234) 8.409 4.046 ( 0.853 1.478 8.234) 8.409 4.328 ( 6.665 11.544 -9.823) 16.558 4.328 ( 6.665 11.544 9.823) 16.558 4.600 ( -4.691 -8.125 -8.536) 12.684 4.600 ( -4.691 -8.125 8.536) 12.684 4.827 ( -5.622 -9.737 -6.674) 13.075 4.827 ( -5.622 -9.737 6.674) 13.075 5.747 ( 5.487 9.504 -7.526) 13.308 5.747 ( 5.487 9.504 7.526) 13.308 5.933 ( -3.911 -6.773 -10.002) 12.697 5.933 ( -3.911 -6.773 10.002) 12.697 5.962 ( -4.567 -7.911 -5.262) 10.542 5.962 ( -4.567 -7.911 5.262) 10.542 6.574 ( 0.988 1.712 -20.829) 20.923 6.574 ( 0.988 1.712 20.829) 20.923 6.598 ( 1.539 2.665 -21.269) 21.491 6.598 ( 1.539 2.665 21.269) 21.491 6.966 ( 3.835 6.643 -19.085) 20.569 6.966 ( 3.835 6.643 19.085) 20.569 7.694 ( 5.609 9.715 -14.930) 18.674 7.694 ( 5.609 9.715 14.930) 18.674 7.901 ( -3.499 -6.061 -8.459) 10.979 7.901 ( -3.499 -6.061 8.459) 10.979 8.169 ( 2.481 4.298 -9.997) 11.161 8.169 ( 2.481 4.298 9.997) 11.161 8.629 ( -0.525 -0.910 -5.884) 5.977 8.629 ( -0.525 -0.910 5.884) 5.977 8.664 ( -1.818 -3.149 -5.488) 6.584 8.664 ( -1.818 -3.149 5.488) 6.584 9.094 ( -1.527 -2.645 -7.081) 7.712 9.094 ( -1.527 -2.645 7.081) 7.712 9.868 ( 1.826 3.163 -4.300) 5.642 9.868 ( 1.826 3.163 4.300) 5.642 9.978 ( 2.581 4.471 -3.662) 6.329 9.978 ( 2.581 4.471 3.662) 6.329 10.099 ( -3.841 -6.652 -3.616) 8.490 10.099 ( -3.841 -6.652 3.616) 8.490 10.391 ( 9.026 15.634 -15.317) 23.675 10.391 ( 9.026 15.634 15.317) 23.675 10.752 ( -5.489 -9.507 -6.418) 12.716 10.752 ( -5.489 -9.507 6.418) 12.716 10.828 ( -1.051 -1.820 -10.312) 10.524 10.828 ( -1.051 -1.820 10.312) 10.524 11.079 ( -1.506 -2.609 -12.010) 12.382 11.079 ( -1.506 -2.609 12.010) 12.382 11.152 ( -2.798 -4.847 -8.413) 10.105 11.152 ( -2.798 -4.847 8.413) 10.105 11.672 ( 4.323 7.487 -3.982) 9.518 11.672 ( 4.323 7.487 3.982) 9.518 11.744 ( -0.166 -0.288 -19.731) 19.733 11.744 ( -0.166 -0.288 19.731) 19.733 11.941 ( -2.060 -3.567 -4.046) 5.774 11.941 ( -2.060 -3.567 4.046) 5.774 11.942 ( -3.839 -6.649 -3.595) 8.478 11.942 ( -3.839 -6.649 3.595) 8.478 13.846 ( 0.874 1.514 -14.976) 15.078 13.846 ( 0.874 1.514 14.976) 15.078 13.855 ( 0.507 0.878 -17.008) 17.038 13.855 ( 0.507 0.878 17.008) 17.038 14.050 ( -1.733 -3.002 -13.217) 13.664 14.050 ( -1.733 -3.002 13.217) 13.664 15.706 ( 2.285 3.958 -3.491) 5.751 15.706 ( 2.285 3.958 3.491) 5.751 15.809 ( -1.933 -3.347 -2.745) 4.741 15.809 ( -1.933 -3.347 2.745) 4.741 16.406 ( 3.078 5.331 -5.144) 8.022 16.406 ( 3.078 5.331 5.144) 8.022 16.415 ( 1.969 3.411 -7.981) 8.900 16.415 ( 1.969 3.411 7.981) 8.900 16.555 ( -3.547 -6.143 -8.189) 10.834 16.555 ( -3.547 -6.143 8.189) 10.834 16.625 ( -1.734 -3.004 -1.590) 3.816 16.625 ( -1.734 -3.004 1.590) 3.816 18.340 ( 3.984 6.901 -9.184) 12.159 18.340 ( 3.984 6.901 9.184) 12.159 18.498 ( 3.938 6.821 -11.826) 14.209 18.498 ( 3.938 6.821 11.826) 14.209 18.735 ( -7.937 -13.748 -12.523) 20.220 18.735 ( -7.937 -13.748 12.523) 20.220 19.888 ( 2.720 4.710 -3.415) 6.422 19.888 ( 2.720 4.710 3.415) 6.422 19.972 ( 0.093 0.161 -4.562) 4.566 19.972 ( 0.093 0.161 4.562) 4.566 20.158 ( -2.149 -3.722 -6.711) 7.970 20.158 ( -2.149 -3.722 6.711) 7.970 =================== 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 3/36000 10.0 6063.366 6063.366 1425.318 0.000 -0.000 0.000 3/36000 20.0 6195.325 6195.325 3858.105 0.000 -0.000 0.000 3/36000 30.0 2517.136 2517.136 2086.614 0.000 -0.000 0.000 3/36000 40.0 1064.488 1064.488 952.261 0.000 -0.000 0.000 3/36000 50.0 520.914 520.914 479.832 -0.000 -0.000 0.000 3/36000 60.0 293.849 293.849 274.254 -0.000 -0.000 0.000 3/36000 70.0 185.903 185.903 174.579 -0.000 -0.000 0.000 3/36000 80.0 128.316 128.316 120.883 -0.000 -0.000 0.000 3/36000 90.0 94.562 94.562 89.261 -0.000 -0.000 0.000 3/36000 100.0 73.232 73.232 69.236 -0.000 -0.000 0.000 3/36000 110.0 58.921 58.921 55.788 -0.000 -0.000 0.000 3/36000 120.0 48.844 48.844 46.317 -0.000 -0.000 0.000 3/36000 130.0 41.464 41.464 39.381 -0.000 -0.000 0.000 3/36000 140.0 35.883 35.883 34.134 -0.000 -0.000 0.000 3/36000 150.0 31.546 31.546 30.056 -0.000 -0.000 0.000 3/36000 160.0 28.099 28.099 26.813 -0.000 -0.000 0.000 3/36000 170.0 25.305 25.305 24.183 -0.000 -0.000 0.000 3/36000 180.0 23.002 23.002 22.014 -0.000 -0.000 0.000 3/36000 190.0 21.076 21.076 20.199 -0.000 -0.000 0.000 3/36000 200.0 19.445 19.445 18.660 -0.000 -0.000 0.000 3/36000 210.0 18.047 18.047 17.340 -0.000 -0.000 0.000 3/36000 220.0 16.838 16.838 16.197 -0.000 -0.000 0.000 3/36000 230.0 15.782 15.782 15.197 -0.000 -0.000 0.000 3/36000 240.0 14.853 14.853 14.317 -0.000 -0.000 0.000 3/36000 250.0 14.029 14.029 13.536 -0.000 -0.000 0.000 3/36000 260.0 13.294 13.294 12.838 -0.000 -0.000 0.000 3/36000 270.0 12.634 12.634 12.210 -0.000 -0.000 0.000 3/36000 280.0 12.038 12.038 11.644 -0.000 -0.000 0.000 3/36000 290.0 11.498 11.498 11.129 -0.000 -0.000 0.000 3/36000 300.0 11.006 11.006 10.660 -0.000 -0.000 0.000 3/36000 310.0 10.556 10.556 10.230 -0.000 -0.000 0.000 3/36000 320.0 10.142 10.142 9.835 -0.000 -0.000 0.000 3/36000 330.0 9.761 9.761 9.471 -0.000 -0.000 0.000 3/36000 340.0 9.409 9.409 9.133 -0.000 -0.000 0.000 3/36000 350.0 9.082 9.082 8.820 -0.000 -0.000 0.000 3/36000 360.0 8.778 8.778 8.529 -0.000 -0.000 0.000 3/36000 370.0 8.495 8.495 8.257 -0.000 -0.000 0.000 3/36000 380.0 8.230 8.230 8.002 -0.000 -0.000 0.000 3/36000 390.0 7.981 7.981 7.764 -0.000 -0.000 0.000 3/36000 400.0 7.748 7.748 7.539 -0.000 -0.000 0.000 3/36000 410.0 7.529 7.529 7.328 -0.000 -0.000 0.000 3/36000 420.0 7.322 7.322 7.129 -0.000 -0.000 0.000 3/36000 430.0 7.126 7.126 6.941 -0.000 -0.000 0.000 3/36000 440.0 6.941 6.941 6.763 -0.000 -0.000 0.000 3/36000 450.0 6.766 6.766 6.594 -0.000 -0.000 0.000 3/36000 460.0 6.600 6.600 6.433 -0.000 -0.000 0.000 3/36000 470.0 6.442 6.442 6.281 -0.000 -0.000 0.000 3/36000 480.0 6.292 6.292 6.136 -0.000 -0.000 0.000 3/36000 490.0 6.149 6.149 5.997 -0.000 -0.000 0.000 3/36000 500.0 6.012 6.012 5.865 -0.000 -0.000 0.000 3/36000 510.0 5.882 5.882 5.739 -0.000 -0.000 0.000 3/36000 520.0 5.757 5.757 5.618 -0.000 -0.000 0.000 3/36000 530.0 5.638 5.638 5.503 -0.000 -0.000 0.000 3/36000 540.0 5.523 5.523 5.392 -0.000 -0.000 0.000 3/36000 550.0 5.414 5.414 5.286 -0.000 -0.000 0.000 3/36000 560.0 5.308 5.308 5.184 -0.000 -0.000 0.000 3/36000 570.0 5.207 5.207 5.085 -0.000 -0.000 0.000 3/36000 580.0 5.110 5.110 4.991 -0.000 -0.000 0.000 3/36000 590.0 5.017 5.017 4.900 -0.000 -0.000 0.000 3/36000 600.0 4.926 4.926 4.813 -0.000 -0.000 0.000 3/36000 610.0 4.840 4.840 4.729 -0.000 -0.000 0.000 3/36000 620.0 4.756 4.756 4.647 -0.000 -0.000 0.000 3/36000 630.0 4.675 4.675 4.569 -0.000 -0.000 0.000 3/36000 640.0 4.597 4.597 4.493 -0.000 -0.000 0.000 3/36000 650.0 4.522 4.522 4.420 -0.000 -0.000 0.000 3/36000 660.0 4.449 4.449 4.349 -0.000 -0.000 0.000 3/36000 670.0 4.378 4.378 4.280 -0.000 -0.000 0.000 3/36000 680.0 4.310 4.310 4.214 -0.000 -0.000 0.000 3/36000 690.0 4.244 4.244 4.149 -0.000 -0.000 0.000 3/36000 700.0 4.180 4.180 4.087 -0.000 -0.000 0.000 3/36000 710.0 4.118 4.118 4.027 -0.000 -0.000 0.000 3/36000 720.0 4.057 4.057 3.968 -0.000 -0.000 0.000 3/36000 730.0 3.999 3.999 3.911 -0.000 -0.000 0.000 3/36000 740.0 3.942 3.942 3.856 -0.000 -0.000 0.000 3/36000 750.0 3.887 3.887 3.802 -0.000 -0.000 0.000 3/36000 760.0 3.833 3.833 3.750 -0.000 -0.000 0.000 3/36000 770.0 3.781 3.781 3.699 -0.000 -0.000 0.000 3/36000 780.0 3.730 3.730 3.650 -0.000 -0.000 0.000 3/36000 790.0 3.681 3.681 3.601 -0.000 -0.000 0.000 3/36000 800.0 3.633 3.633 3.555 -0.000 -0.000 0.000 3/36000 810.0 3.586 3.586 3.509 -0.000 -0.000 0.000 3/36000 820.0 3.541 3.541 3.465 -0.000 -0.000 0.000 3/36000 830.0 3.496 3.496 3.421 -0.000 -0.000 0.000 3/36000 840.0 3.453 3.453 3.379 -0.000 -0.000 0.000 3/36000 850.0 3.411 3.411 3.338 -0.000 -0.000 0.000 3/36000 860.0 3.370 3.370 3.298 -0.000 -0.000 0.000 3/36000 870.0 3.329 3.329 3.259 -0.000 -0.000 0.000 3/36000 880.0 3.290 3.290 3.220 -0.000 -0.000 0.000 3/36000 890.0 3.252 3.252 3.183 -0.000 -0.000 0.000 3/36000 900.0 3.214 3.214 3.147 -0.000 -0.000 0.000 3/36000 910.0 3.178 3.178 3.111 -0.000 -0.000 0.000 3/36000 920.0 3.142 3.142 3.076 -0.000 -0.000 0.000 3/36000 930.0 3.107 3.107 3.042 -0.000 -0.000 0.000 3/36000 940.0 3.073 3.073 3.009 -0.000 -0.000 0.000 3/36000 950.0 3.040 3.040 2.976 -0.000 -0.000 0.000 3/36000 960.0 3.007 3.007 2.944 -0.000 -0.000 0.000 3/36000 970.0 2.975 2.975 2.913 -0.000 -0.000 0.000 3/36000 980.0 2.944 2.944 2.883 -0.000 -0.000 0.000 3/36000 990.0 2.914 2.914 2.853 -0.000 -0.000 0.000 3/36000 1000.0 2.884 2.884 2.824 -0.000 -0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:29:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|