----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:52:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.324088750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): *1 B 0.26308648892702 0.50458513979655 0.75541382459983 10.811 *2 B 0.73948871175017 0.26113192704987 0.00000000000000 10.811 3 B 0.73691351107298 0.49541486020345 0.75541382459983 10.811 4 B 0.76308648892702 0.99541486020345 0.74458617540017 10.811 5 B 0.26051128824983 0.73886807295013 0.00000000000000 10.811 6 B 0.23691351107298 0.00458513979655 0.74458617540017 10.811 7 B 0.73691351107298 0.49541486020345 0.24458617540017 10.811 8 B 0.23948871175017 0.23886807295013 0.50000000000000 10.811 9 B 0.26308648892702 0.50458513979655 0.24458617540017 10.811 10 B 0.23691351107298 0.00458513979655 0.25541382459983 10.811 11 B 0.76051128824983 0.76113192704987 0.50000000000000 10.811 12 B 0.76308648892702 0.99541486020345 0.25541382459983 10.811 *13 Ca 0.24550590644144 0.24221444412771 0.00000000000000 40.078 *14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 15 Ca 0.75449409355856 0.75778555587229 0.00000000000000 40.078 *16 Ca 0.98850082688882 0.26072167481971 0.74685395789066 40.078 *17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.51149917311118 0.76072167481971 0.75314604210934 40.078 19 Ca 0.48850082688882 0.23927832518029 0.75314604210934 40.078 *20 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 21 Ca 0.74550590644144 0.25778555587229 0.50000000000000 40.078 22 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 23 Ca 0.01149917311118 0.73927832518029 0.74685395789066 40.078 24 Ca 0.25449409355856 0.74221444412771 0.50000000000000 40.078 25 Ca 0.48850082688882 0.23927832518029 0.24685395789066 40.078 26 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 27 Ca 0.01149917311118 0.73927832518029 0.25314604210934 40.078 28 Ca 0.98850082688882 0.26072167481971 0.25314604210934 40.078 29 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 30 Ca 0.51149917311118 0.76072167481971 0.24685395789066 40.078 *31 N 0.23198345113298 0.40733071435613 0.84006044811747 14.007 *32 N 0.92283678038126 0.25529735786539 0.00000000000000 14.007 *33 N 0.79658806010110 0.89570284990428 0.82415139026194 14.007 *34 N 0.44241026849917 0.72761816270206 0.00000000000000 14.007 35 N 0.76801654886702 0.59266928564387 0.84006044811747 14.007 36 N 0.70341193989890 0.39570284990428 0.67584860973806 14.007 37 N 0.20341193989890 0.10429715009572 0.82415139026194 14.007 38 N 0.26801654886702 0.90733071435613 0.65993955188253 14.007 39 N 0.29658806010110 0.60429715009572 0.67584860973806 14.007 40 N 0.42283678038126 0.24470264213461 0.50000000000000 14.007 41 N 0.70341193989890 0.39570284990428 0.32415139026194 14.007 42 N 0.05758973150083 0.22761816270206 0.50000000000000 14.007 43 N 0.73198345113298 0.09266928564387 0.65993955188253 14.007 44 N 0.26801654886702 0.90733071435613 0.34006044811747 14.007 45 N 0.94241026849917 0.77238183729794 0.50000000000000 14.007 46 N 0.29658806010110 0.60429715009572 0.32415139026194 14.007 47 N 0.23198345113298 0.40733071435613 0.15993955188253 14.007 48 N 0.57716321961874 0.75529735786539 0.50000000000000 14.007 49 N 0.73198345113298 0.09266928564387 0.34006044811747 14.007 50 N 0.79658806010110 0.89570284990428 0.17584860973806 14.007 51 N 0.76801654886702 0.59266928564387 0.15993955188253 14.007 52 N 0.55758973150083 0.27238183729794 0.00000000000000 14.007 53 N 0.20341193989890 0.10429715009572 0.17584860973806 14.007 54 N 0.07716321961874 0.74470264213461 0.00000000000000 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.324088750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): *1 B 0.26308648892702 0.50458513979655 0.75541382459983 10.811 > 1 *2 B 0.73948871175017 0.26113192704987 0.00000000000000 10.811 > 2 3 B 0.73691351107298 0.49541486020345 0.75541382459983 10.811 > 3 4 B 0.76308648892702 0.99541486020345 0.74458617540017 10.811 > 4 5 B 0.26051128824983 0.73886807295013 0.00000000000000 10.811 > 5 6 B 0.23691351107298 0.00458513979655 0.74458617540017 10.811 > 6 7 B 0.73691351107298 0.49541486020345 0.24458617540017 10.811 > 7 8 B 0.23948871175017 0.23886807295013 0.50000000000000 10.811 > 8 9 B 0.26308648892702 0.50458513979655 0.24458617540017 10.811 > 9 10 B 0.23691351107298 0.00458513979655 0.25541382459983 10.811 > 10 11 B 0.76051128824983 0.76113192704987 0.50000000000000 10.811 > 11 12 B 0.76308648892702 0.99541486020345 0.25541382459983 10.811 > 12 *13 Ca 0.24550590644144 0.24221444412771 0.00000000000000 40.078 > 13 *14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 14 15 Ca 0.75449409355856 0.75778555587229 0.00000000000000 40.078 > 15 *16 Ca 0.98850082688882 0.26072167481971 0.74685395789066 40.078 > 16 *17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 17 18 Ca 0.51149917311118 0.76072167481971 0.75314604210934 40.078 > 18 19 Ca 0.48850082688882 0.23927832518029 0.75314604210934 40.078 > 19 *20 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 20 21 Ca 0.74550590644144 0.25778555587229 0.50000000000000 40.078 > 21 22 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 22 23 Ca 0.01149917311118 0.73927832518029 0.74685395789066 40.078 > 23 24 Ca 0.25449409355856 0.74221444412771 0.50000000000000 40.078 > 24 25 Ca 0.48850082688882 0.23927832518029 0.24685395789066 40.078 > 25 26 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 26 27 Ca 0.01149917311118 0.73927832518029 0.25314604210934 40.078 > 27 28 Ca 0.98850082688882 0.26072167481971 0.25314604210934 40.078 > 28 29 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 29 30 Ca 0.51149917311118 0.76072167481971 0.24685395789066 40.078 > 30 *31 N 0.23198345113298 0.40733071435613 0.84006044811747 14.007 > 31 *32 N 0.92283678038126 0.25529735786539 0.00000000000000 14.007 > 32 *33 N 0.79658806010110 0.89570284990428 0.82415139026194 14.007 > 33 *34 N 0.44241026849917 0.72761816270206 0.00000000000000 14.007 > 34 35 N 0.76801654886702 0.59266928564387 0.84006044811747 14.007 > 35 36 N 0.70341193989890 0.39570284990428 0.67584860973806 14.007 > 36 37 N 0.20341193989890 0.10429715009572 0.82415139026194 14.007 > 37 38 N 0.26801654886702 0.90733071435613 0.65993955188253 14.007 > 38 39 N 0.29658806010110 0.60429715009572 0.67584860973806 14.007 > 39 40 N 0.42283678038126 0.24470264213461 0.50000000000000 14.007 > 40 41 N 0.70341193989890 0.39570284990428 0.32415139026194 14.007 > 41 42 N 0.05758973150083 0.22761816270206 0.50000000000000 14.007 > 42 43 N 0.73198345113298 0.09266928564387 0.65993955188253 14.007 > 43 44 N 0.26801654886702 0.90733071435613 0.34006044811747 14.007 > 44 45 N 0.94241026849917 0.77238183729794 0.50000000000000 14.007 > 45 46 N 0.29658806010110 0.60429715009572 0.32415139026194 14.007 > 46 47 N 0.23198345113298 0.40733071435613 0.15993955188253 14.007 > 47 48 N 0.57716321961874 0.75529735786539 0.50000000000000 14.007 > 48 49 N 0.73198345113298 0.09266928564387 0.34006044811747 14.007 > 49 50 N 0.79658806010110 0.89570284990428 0.17584860973806 14.007 > 50 51 N 0.76801654886702 0.59266928564387 0.15993955188253 14.007 > 51 52 N 0.55758973150083 0.27238183729794 0.00000000000000 14.007 > 52 53 N 0.20341193989890 0.10429715009572 0.17584860973806 14.007 > 53 54 N 0.07716321961874 0.74470264213461 0.00000000000000 14.007 > 54 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.648177499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): *1 B 0.13154324446351 0.50458513979655 0.75541382459983 10.811 > 1 2 B 0.63154324446351 0.50458513979655 0.75541382459983 10.811 > 1 *3 B 0.36974435587509 0.26113192704987 0.00000000000000 10.811 > 2 4 B 0.86974435587509 0.26113192704987 0.00000000000000 10.811 > 2 5 B 0.36845675553649 0.49541486020345 0.75541382459983 10.811 > 3 6 B 0.86845675553649 0.49541486020345 0.75541382459983 10.811 > 3 7 B 0.38154324446351 0.99541486020345 0.74458617540017 10.811 > 4 8 B 0.88154324446351 0.99541486020345 0.74458617540017 10.811 > 4 9 B 0.13025564412491 0.73886807295013 0.00000000000000 10.811 > 5 10 B 0.63025564412491 0.73886807295013 0.00000000000000 10.811 > 5 11 B 0.11845675553649 0.00458513979655 0.74458617540017 10.811 > 6 12 B 0.61845675553649 0.00458513979655 0.74458617540017 10.811 > 6 13 B 0.36845675553649 0.49541486020345 0.24458617540017 10.811 > 7 14 B 0.86845675553649 0.49541486020345 0.24458617540017 10.811 > 7 15 B 0.11974435587509 0.23886807295013 0.50000000000000 10.811 > 8 16 B 0.61974435587509 0.23886807295013 0.50000000000000 10.811 > 8 17 B 0.13154324446351 0.50458513979655 0.24458617540017 10.811 > 9 18 B 0.63154324446351 0.50458513979655 0.24458617540017 10.811 > 9 19 B 0.11845675553649 0.00458513979655 0.25541382459983 10.811 > 10 20 B 0.61845675553649 0.00458513979655 0.25541382459983 10.811 > 10 21 B 0.38025564412491 0.76113192704987 0.50000000000000 10.811 > 11 22 B 0.88025564412491 0.76113192704987 0.50000000000000 10.811 > 11 23 B 0.38154324446351 0.99541486020345 0.25541382459983 10.811 > 12 24 B 0.88154324446351 0.99541486020345 0.25541382459983 10.811 > 12 *25 Ca 0.12275295322072 0.24221444412771 0.00000000000000 40.078 > 13 26 Ca 0.62275295322072 0.24221444412771 0.00000000000000 40.078 > 13 *27 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 14 28 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 14 29 Ca 0.37724704677928 0.75778555587229 0.00000000000000 40.078 > 15 30 Ca 0.87724704677928 0.75778555587229 0.00000000000000 40.078 > 15 *31 Ca 0.49425041344441 0.26072167481971 0.74685395789066 40.078 > 16 32 Ca 0.99425041344441 0.26072167481971 0.74685395789066 40.078 > 16 *33 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 17 34 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 17 35 Ca 0.25574958655559 0.76072167481971 0.75314604210934 40.078 > 18 36 Ca 0.75574958655559 0.76072167481971 0.75314604210934 40.078 > 18 37 Ca 0.24425041344441 0.23927832518029 0.75314604210934 40.078 > 19 38 Ca 0.74425041344441 0.23927832518029 0.75314604210934 40.078 > 19 *39 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 20 40 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 20 41 Ca 0.37275295322072 0.25778555587229 0.50000000000000 40.078 > 21 42 Ca 0.87275295322072 0.25778555587229 0.50000000000000 40.078 > 21 43 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 22 44 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 22 45 Ca 0.00574958655559 0.73927832518029 0.74685395789066 40.078 > 23 46 Ca 0.50574958655559 0.73927832518029 0.74685395789066 40.078 > 23 47 Ca 0.12724704677928 0.74221444412771 0.50000000000000 40.078 > 24 48 Ca 0.62724704677928 0.74221444412771 0.50000000000000 40.078 > 24 49 Ca 0.24425041344441 0.23927832518029 0.24685395789066 40.078 > 25 50 Ca 0.74425041344441 0.23927832518029 0.24685395789066 40.078 > 25 51 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 26 52 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 26 53 Ca 0.00574958655559 0.73927832518029 0.25314604210934 40.078 > 27 54 Ca 0.50574958655559 0.73927832518029 0.25314604210934 40.078 > 27 55 Ca 0.49425041344441 0.26072167481971 0.25314604210934 40.078 > 28 56 Ca 0.99425041344441 0.26072167481971 0.25314604210934 40.078 > 28 57 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 29 58 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 29 59 Ca 0.25574958655559 0.76072167481971 0.24685395789066 40.078 > 30 60 Ca 0.75574958655559 0.76072167481971 0.24685395789066 40.078 > 30 *61 N 0.11599172556649 0.40733071435613 0.84006044811747 14.007 > 31 62 N 0.61599172556649 0.40733071435613 0.84006044811747 14.007 > 31 *63 N 0.46141839019063 0.25529735786539 0.00000000000000 14.007 > 32 64 N 0.96141839019063 0.25529735786539 0.00000000000000 14.007 > 32 *65 N 0.39829403005055 0.89570284990428 0.82415139026194 14.007 > 33 66 N 0.89829403005055 0.89570284990428 0.82415139026194 14.007 > 33 *67 N 0.22120513424959 0.72761816270206 0.00000000000000 14.007 > 34 68 N 0.72120513424959 0.72761816270206 0.00000000000000 14.007 > 34 69 N 0.38400827443351 0.59266928564387 0.84006044811747 14.007 > 35 70 N 0.88400827443351 0.59266928564387 0.84006044811747 14.007 > 35 71 N 0.35170596994945 0.39570284990428 0.67584860973806 14.007 > 36 72 N 0.85170596994945 0.39570284990428 0.67584860973806 14.007 > 36 73 N 0.10170596994945 0.10429715009572 0.82415139026194 14.007 > 37 74 N 0.60170596994945 0.10429715009572 0.82415139026194 14.007 > 37 75 N 0.13400827443351 0.90733071435613 0.65993955188253 14.007 > 38 76 N 0.63400827443351 0.90733071435613 0.65993955188253 14.007 > 38 77 N 0.14829403005055 0.60429715009572 0.67584860973806 14.007 > 39 78 N 0.64829403005055 0.60429715009572 0.67584860973806 14.007 > 39 79 N 0.21141839019063 0.24470264213461 0.50000000000000 14.007 > 40 80 N 0.71141839019063 0.24470264213461 0.50000000000000 14.007 > 40 81 N 0.35170596994945 0.39570284990428 0.32415139026194 14.007 > 41 82 N 0.85170596994945 0.39570284990428 0.32415139026194 14.007 > 41 83 N 0.02879486575041 0.22761816270206 0.50000000000000 14.007 > 42 84 N 0.52879486575041 0.22761816270206 0.50000000000000 14.007 > 42 85 N 0.36599172556649 0.09266928564387 0.65993955188253 14.007 > 43 86 N 0.86599172556649 0.09266928564387 0.65993955188253 14.007 > 43 87 N 0.13400827443351 0.90733071435613 0.34006044811747 14.007 > 44 88 N 0.63400827443351 0.90733071435613 0.34006044811747 14.007 > 44 89 N 0.47120513424959 0.77238183729794 0.50000000000000 14.007 > 45 90 N 0.97120513424959 0.77238183729794 0.50000000000000 14.007 > 45 91 N 0.14829403005055 0.60429715009572 0.32415139026194 14.007 > 46 92 N 0.64829403005055 0.60429715009572 0.32415139026194 14.007 > 46 93 N 0.11599172556649 0.40733071435613 0.15993955188253 14.007 > 47 94 N 0.61599172556649 0.40733071435613 0.15993955188253 14.007 > 47 95 N 0.28858160980937 0.75529735786539 0.50000000000000 14.007 > 48 96 N 0.78858160980937 0.75529735786539 0.50000000000000 14.007 > 48 97 N 0.36599172556649 0.09266928564387 0.34006044811747 14.007 > 49 98 N 0.86599172556649 0.09266928564387 0.34006044811747 14.007 > 49 99 N 0.39829403005055 0.89570284990428 0.17584860973806 14.007 > 50 100 N 0.89829403005055 0.89570284990428 0.17584860973806 14.007 > 50 101 N 0.38400827443351 0.59266928564387 0.15993955188253 14.007 > 51 102 N 0.88400827443351 0.59266928564387 0.15993955188253 14.007 > 51 103 N 0.27879486575041 0.27238183729794 0.00000000000000 14.007 > 52 104 N 0.77879486575041 0.27238183729794 0.00000000000000 14.007 > 52 105 N 0.10170596994945 0.10429715009572 0.17584860973806 14.007 > 53 106 N 0.60170596994945 0.10429715009572 0.17584860973806 14.007 > 53 107 N 0.03858160980937 0.74470264213461 0.00000000000000 14.007 > 54 108 N 0.53858160980937 0.74470264213461 0.00000000000000 14.007 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3788656 0.0000000 0.0000000 0.0000000 4.4118237 0.0000000 0.0000000 0.0000000 4.2589193 -------------------------- Born effective charges -------------------------- 1 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 2 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 3 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 4 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 5 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 6 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 7 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 8 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 9 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 10 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 11 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 12 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 13 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 14 Ca 2.5295303 -0.0131717 0.0000000 0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 15 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 16 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 17 Ca 2.3139198 -0.3007135 0.0000000 -0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 18 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 19 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 20 Ca 2.0475029 0.0179994 0.0000000 0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 21 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 22 Ca 2.0475029 -0.0179994 0.0000000 -0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 23 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 24 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 25 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 26 Ca 2.3139198 0.3007135 0.0000000 0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 27 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 28 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 29 Ca 2.5295303 0.0131717 0.0000000 -0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 30 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 31 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 32 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 33 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 34 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 35 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 36 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 37 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 38 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 39 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 40 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 41 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 42 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 43 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 44 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 45 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 46 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 47 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 48 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 49 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 50 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 51 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 52 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 53 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 54 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3485 Number of blocks in projector: 3485 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 859 Use submatrix version of eigh solver. (1) Block: 500 / 859 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 859 / 859 (1) 339 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 102 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3485, 3414), data: False |-- (470, 459), data: True |-- (470, 459), data: True |-- (470, 459), data: True |-- (608, 600), data: False |-- (608, 6), data: (608, 14) @ (14, 6) |-- (108, 102), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (608, 600), data: False |-- (608, 8), data: (608, 16) @ (16, 8) |-- (108, 100), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (859, 837), data: False |-- (859, 20), data: (859, 42) @ (42, 20) |-- (359, 339), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 880 - Time: 1.163 Solver_block: 200 / 880 - Time: 1.123 Solver_block: 300 / 880 - Time: 1.119 Solver_block: 400 / 880 - Time: 1.121 Solver_block: 500 / 880 - Time: 1.125 Solver_block: 600 / 880 - Time: 1.119 Solver_block: 700 / 880 - Time: 1.126 Solver_block: 800 / 880 - Time: 1.125 Solver_block: 880 / 880 - Time: 1.000 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.206 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3485 Number of blocks in projector: 3485 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 859 Use submatrix version of eigh solver. (1) Block: 500 / 859 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 859 / 859 (1) 339 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 100 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 608 / 608 (1) 102 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3485, 3414), data: False |-- (470, 459), data: True |-- (470, 459), data: True |-- (470, 459), data: True |-- (608, 600), data: False |-- (608, 6), data: (608, 14) @ (14, 6) |-- (108, 102), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (608, 600), data: False |-- (608, 8), data: (608, 16) @ (16, 8) |-- (108, 100), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (859, 837), data: False |-- (859, 20), data: (859, 42) @ (42, 20) |-- (359, 339), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:53:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:53:11]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.324088750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): 1 B 0.26308648892702 0.50458513979655 0.75541382459983 10.811 2 B 0.73948871175017 0.26113192704987 0.00000000000000 10.811 3 B 0.73691351107298 0.49541486020345 0.75541382459983 10.811 4 B 0.76308648892702 0.99541486020345 0.74458617540017 10.811 5 B 0.26051128824983 0.73886807295013 0.00000000000000 10.811 6 B 0.23691351107298 0.00458513979655 0.74458617540017 10.811 7 B 0.73691351107298 0.49541486020345 0.24458617540017 10.811 8 B 0.23948871175017 0.23886807295013 0.50000000000000 10.811 9 B 0.26308648892702 0.50458513979655 0.24458617540017 10.811 10 B 0.23691351107298 0.00458513979655 0.25541382459983 10.811 11 B 0.76051128824983 0.76113192704987 0.50000000000000 10.811 12 B 0.76308648892702 0.99541486020345 0.25541382459983 10.811 13 Ca 0.24550590644144 0.24221444412771 0.00000000000000 40.078 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 15 Ca 0.75449409355856 0.75778555587229 0.00000000000000 40.078 16 Ca 0.98850082688882 0.26072167481971 0.74685395789066 40.078 17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.51149917311118 0.76072167481971 0.75314604210934 40.078 19 Ca 0.48850082688882 0.23927832518029 0.75314604210934 40.078 20 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 21 Ca 0.74550590644144 0.25778555587229 0.50000000000000 40.078 22 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 23 Ca 0.01149917311118 0.73927832518029 0.74685395789066 40.078 24 Ca 0.25449409355856 0.74221444412771 0.50000000000000 40.078 25 Ca 0.48850082688882 0.23927832518029 0.24685395789066 40.078 26 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 27 Ca 0.01149917311118 0.73927832518029 0.25314604210934 40.078 28 Ca 0.98850082688882 0.26072167481971 0.25314604210934 40.078 29 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 30 Ca 0.51149917311118 0.76072167481971 0.24685395789066 40.078 31 N 0.23198345113298 0.40733071435613 0.84006044811747 14.007 32 N 0.92283678038126 0.25529735786539 0.00000000000000 14.007 33 N 0.79658806010110 0.89570284990428 0.82415139026194 14.007 34 N 0.44241026849917 0.72761816270206 0.00000000000000 14.007 35 N 0.76801654886702 0.59266928564387 0.84006044811747 14.007 36 N 0.70341193989890 0.39570284990428 0.67584860973806 14.007 37 N 0.20341193989890 0.10429715009572 0.82415139026194 14.007 38 N 0.26801654886702 0.90733071435613 0.65993955188253 14.007 39 N 0.29658806010110 0.60429715009572 0.67584860973806 14.007 40 N 0.42283678038126 0.24470264213461 0.50000000000000 14.007 41 N 0.70341193989890 0.39570284990428 0.32415139026194 14.007 42 N 0.05758973150083 0.22761816270206 0.50000000000000 14.007 43 N 0.73198345113298 0.09266928564387 0.65993955188253 14.007 44 N 0.26801654886702 0.90733071435613 0.34006044811747 14.007 45 N 0.94241026849917 0.77238183729794 0.50000000000000 14.007 46 N 0.29658806010110 0.60429715009572 0.32415139026194 14.007 47 N 0.23198345113298 0.40733071435613 0.15993955188253 14.007 48 N 0.57716321961874 0.75529735786539 0.50000000000000 14.007 49 N 0.73198345113298 0.09266928564387 0.34006044811747 14.007 50 N 0.79658806010110 0.89570284990428 0.17584860973806 14.007 51 N 0.76801654886702 0.59266928564387 0.15993955188253 14.007 52 N 0.55758973150083 0.27238183729794 0.00000000000000 14.007 53 N 0.20341193989890 0.10429715009572 0.17584860973806 14.007 54 N 0.07716321961874 0.74470264213461 0.00000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.648177499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): 1 B 0.13154324446351 0.50458513979655 0.75541382459983 10.811 > 1 2 B 0.63154324446351 0.50458513979655 0.75541382459983 10.811 > 1 3 B 0.36974435587509 0.26113192704987 0.00000000000000 10.811 > 3 4 B 0.86974435587509 0.26113192704987 0.00000000000000 10.811 > 3 5 B 0.36845675553649 0.49541486020345 0.75541382459983 10.811 > 5 6 B 0.86845675553649 0.49541486020345 0.75541382459983 10.811 > 5 7 B 0.38154324446351 0.99541486020345 0.74458617540017 10.811 > 7 8 B 0.88154324446351 0.99541486020345 0.74458617540017 10.811 > 7 9 B 0.13025564412491 0.73886807295013 0.00000000000000 10.811 > 9 10 B 0.63025564412491 0.73886807295013 0.00000000000000 10.811 > 9 11 B 0.11845675553649 0.00458513979655 0.74458617540017 10.811 > 11 12 B 0.61845675553649 0.00458513979655 0.74458617540017 10.811 > 11 13 B 0.36845675553649 0.49541486020345 0.24458617540017 10.811 > 13 14 B 0.86845675553649 0.49541486020345 0.24458617540017 10.811 > 13 15 B 0.11974435587509 0.23886807295013 0.50000000000000 10.811 > 15 16 B 0.61974435587509 0.23886807295013 0.50000000000000 10.811 > 15 17 B 0.13154324446351 0.50458513979655 0.24458617540017 10.811 > 17 18 B 0.63154324446351 0.50458513979655 0.24458617540017 10.811 > 17 19 B 0.11845675553649 0.00458513979655 0.25541382459983 10.811 > 19 20 B 0.61845675553649 0.00458513979655 0.25541382459983 10.811 > 19 21 B 0.38025564412491 0.76113192704987 0.50000000000000 10.811 > 21 22 B 0.88025564412491 0.76113192704987 0.50000000000000 10.811 > 21 23 B 0.38154324446351 0.99541486020345 0.25541382459983 10.811 > 23 24 B 0.88154324446351 0.99541486020345 0.25541382459983 10.811 > 23 25 Ca 0.12275295322072 0.24221444412771 0.00000000000000 40.078 > 25 26 Ca 0.62275295322072 0.24221444412771 0.00000000000000 40.078 > 25 27 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 27 28 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 27 29 Ca 0.37724704677928 0.75778555587229 0.00000000000000 40.078 > 29 30 Ca 0.87724704677928 0.75778555587229 0.00000000000000 40.078 > 29 31 Ca 0.49425041344441 0.26072167481971 0.74685395789066 40.078 > 31 32 Ca 0.99425041344441 0.26072167481971 0.74685395789066 40.078 > 31 33 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 33 34 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 33 35 Ca 0.25574958655559 0.76072167481971 0.75314604210934 40.078 > 35 36 Ca 0.75574958655559 0.76072167481971 0.75314604210934 40.078 > 35 37 Ca 0.24425041344441 0.23927832518029 0.75314604210934 40.078 > 37 38 Ca 0.74425041344441 0.23927832518029 0.75314604210934 40.078 > 37 39 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 39 40 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 39 41 Ca 0.37275295322072 0.25778555587229 0.50000000000000 40.078 > 41 42 Ca 0.87275295322072 0.25778555587229 0.50000000000000 40.078 > 41 43 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 43 44 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 43 45 Ca 0.00574958655559 0.73927832518029 0.74685395789066 40.078 > 45 46 Ca 0.50574958655559 0.73927832518029 0.74685395789066 40.078 > 45 47 Ca 0.12724704677928 0.74221444412771 0.50000000000000 40.078 > 47 48 Ca 0.62724704677928 0.74221444412771 0.50000000000000 40.078 > 47 49 Ca 0.24425041344441 0.23927832518029 0.24685395789066 40.078 > 49 50 Ca 0.74425041344441 0.23927832518029 0.24685395789066 40.078 > 49 51 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 51 52 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 51 53 Ca 0.00574958655559 0.73927832518029 0.25314604210934 40.078 > 53 54 Ca 0.50574958655559 0.73927832518029 0.25314604210934 40.078 > 53 55 Ca 0.49425041344441 0.26072167481971 0.25314604210934 40.078 > 55 56 Ca 0.99425041344441 0.26072167481971 0.25314604210934 40.078 > 55 57 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 57 58 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 57 59 Ca 0.25574958655559 0.76072167481971 0.24685395789066 40.078 > 59 60 Ca 0.75574958655559 0.76072167481971 0.24685395789066 40.078 > 59 61 N 0.11599172556649 0.40733071435613 0.84006044811747 14.007 > 61 62 N 0.61599172556649 0.40733071435613 0.84006044811747 14.007 > 61 63 N 0.46141839019063 0.25529735786539 0.00000000000000 14.007 > 63 64 N 0.96141839019063 0.25529735786539 0.00000000000000 14.007 > 63 65 N 0.39829403005055 0.89570284990428 0.82415139026194 14.007 > 65 66 N 0.89829403005055 0.89570284990428 0.82415139026194 14.007 > 65 67 N 0.22120513424959 0.72761816270206 0.00000000000000 14.007 > 67 68 N 0.72120513424959 0.72761816270206 0.00000000000000 14.007 > 67 69 N 0.38400827443351 0.59266928564387 0.84006044811747 14.007 > 69 70 N 0.88400827443351 0.59266928564387 0.84006044811747 14.007 > 69 71 N 0.35170596994945 0.39570284990428 0.67584860973806 14.007 > 71 72 N 0.85170596994945 0.39570284990428 0.67584860973806 14.007 > 71 73 N 0.10170596994945 0.10429715009572 0.82415139026194 14.007 > 73 74 N 0.60170596994945 0.10429715009572 0.82415139026194 14.007 > 73 75 N 0.13400827443351 0.90733071435613 0.65993955188253 14.007 > 75 76 N 0.63400827443351 0.90733071435613 0.65993955188253 14.007 > 75 77 N 0.14829403005055 0.60429715009572 0.67584860973806 14.007 > 77 78 N 0.64829403005055 0.60429715009572 0.67584860973806 14.007 > 77 79 N 0.21141839019063 0.24470264213461 0.50000000000000 14.007 > 79 80 N 0.71141839019063 0.24470264213461 0.50000000000000 14.007 > 79 81 N 0.35170596994945 0.39570284990428 0.32415139026194 14.007 > 81 82 N 0.85170596994945 0.39570284990428 0.32415139026194 14.007 > 81 83 N 0.02879486575041 0.22761816270206 0.50000000000000 14.007 > 83 84 N 0.52879486575041 0.22761816270206 0.50000000000000 14.007 > 83 85 N 0.36599172556649 0.09266928564387 0.65993955188253 14.007 > 85 86 N 0.86599172556649 0.09266928564387 0.65993955188253 14.007 > 85 87 N 0.13400827443351 0.90733071435613 0.34006044811747 14.007 > 87 88 N 0.63400827443351 0.90733071435613 0.34006044811747 14.007 > 87 89 N 0.47120513424959 0.77238183729794 0.50000000000000 14.007 > 89 90 N 0.97120513424959 0.77238183729794 0.50000000000000 14.007 > 89 91 N 0.14829403005055 0.60429715009572 0.32415139026194 14.007 > 91 92 N 0.64829403005055 0.60429715009572 0.32415139026194 14.007 > 91 93 N 0.11599172556649 0.40733071435613 0.15993955188253 14.007 > 93 94 N 0.61599172556649 0.40733071435613 0.15993955188253 14.007 > 93 95 N 0.28858160980937 0.75529735786539 0.50000000000000 14.007 > 95 96 N 0.78858160980937 0.75529735786539 0.50000000000000 14.007 > 95 97 N 0.36599172556649 0.09266928564387 0.34006044811747 14.007 > 97 98 N 0.86599172556649 0.09266928564387 0.34006044811747 14.007 > 97 99 N 0.39829403005055 0.89570284990428 0.17584860973806 14.007 > 99 100 N 0.89829403005055 0.89570284990428 0.17584860973806 14.007 > 99 101 N 0.38400827443351 0.59266928564387 0.15993955188253 14.007 > 101 102 N 0.88400827443351 0.59266928564387 0.15993955188253 14.007 > 101 103 N 0.27879486575041 0.27238183729794 0.00000000000000 14.007 > 103 104 N 0.77879486575041 0.27238183729794 0.00000000000000 14.007 > 103 105 N 0.10170596994945 0.10429715009572 0.17584860973806 14.007 > 105 106 N 0.60170596994945 0.10429715009572 0.17584860973806 14.007 > 105 107 N 0.03858160980937 0.74470264213461 0.00000000000000 14.007 > 107 108 N 0.53858160980937 0.74470264213461 0.00000000000000 14.007 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3788656 0.0000000 0.0000000 0.0000000 4.4118237 0.0000000 0.0000000 0.0000000 4.2589193 -------------------------- Born effective charges -------------------------- 1 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 2 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 3 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 4 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 5 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 6 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 7 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 8 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 9 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 10 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 11 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 12 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 13 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 14 Ca 2.5295303 -0.0131717 0.0000000 0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 15 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 16 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 17 Ca 2.3139198 -0.3007135 0.0000000 -0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 18 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 19 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 20 Ca 2.0475029 0.0179994 0.0000000 0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 21 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 22 Ca 2.0475029 -0.0179994 0.0000000 -0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 23 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 24 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 25 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 26 Ca 2.3139198 0.3007135 0.0000000 0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 27 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 28 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 29 Ca 2.5295303 0.0131717 0.0000000 -0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 30 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 31 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 32 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 33 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 34 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 35 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 36 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 37 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 38 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 39 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 40 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 41 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 42 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 43 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 44 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 45 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 46 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 47 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 48 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 49 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 50 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 51 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 52 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 53 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 54 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:53:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:53:58]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.324088750000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): 1 B 0.26308648892702 0.50458513979655 0.75541382459983 10.811 2 B 0.73948871175017 0.26113192704987 0.00000000000000 10.811 3 B 0.73691351107298 0.49541486020345 0.75541382459983 10.811 4 B 0.76308648892702 0.99541486020345 0.74458617540017 10.811 5 B 0.26051128824983 0.73886807295013 0.00000000000000 10.811 6 B 0.23691351107298 0.00458513979655 0.74458617540017 10.811 7 B 0.73691351107298 0.49541486020345 0.24458617540017 10.811 8 B 0.23948871175017 0.23886807295013 0.50000000000000 10.811 9 B 0.26308648892702 0.50458513979655 0.24458617540017 10.811 10 B 0.23691351107298 0.00458513979655 0.25541382459983 10.811 11 B 0.76051128824983 0.76113192704987 0.50000000000000 10.811 12 B 0.76308648892702 0.99541486020345 0.25541382459983 10.811 13 Ca 0.24550590644144 0.24221444412771 0.00000000000000 40.078 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 15 Ca 0.75449409355856 0.75778555587229 0.00000000000000 40.078 16 Ca 0.98850082688882 0.26072167481971 0.74685395789066 40.078 17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.51149917311118 0.76072167481971 0.75314604210934 40.078 19 Ca 0.48850082688882 0.23927832518029 0.75314604210934 40.078 20 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 21 Ca 0.74550590644144 0.25778555587229 0.50000000000000 40.078 22 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 23 Ca 0.01149917311118 0.73927832518029 0.74685395789066 40.078 24 Ca 0.25449409355856 0.74221444412771 0.50000000000000 40.078 25 Ca 0.48850082688882 0.23927832518029 0.24685395789066 40.078 26 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 27 Ca 0.01149917311118 0.73927832518029 0.25314604210934 40.078 28 Ca 0.98850082688882 0.26072167481971 0.25314604210934 40.078 29 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 30 Ca 0.51149917311118 0.76072167481971 0.24685395789066 40.078 31 N 0.23198345113298 0.40733071435613 0.84006044811747 14.007 32 N 0.92283678038126 0.25529735786539 0.00000000000000 14.007 33 N 0.79658806010110 0.89570284990428 0.82415139026194 14.007 34 N 0.44241026849917 0.72761816270206 0.00000000000000 14.007 35 N 0.76801654886702 0.59266928564387 0.84006044811747 14.007 36 N 0.70341193989890 0.39570284990428 0.67584860973806 14.007 37 N 0.20341193989890 0.10429715009572 0.82415139026194 14.007 38 N 0.26801654886702 0.90733071435613 0.65993955188253 14.007 39 N 0.29658806010110 0.60429715009572 0.67584860973806 14.007 40 N 0.42283678038126 0.24470264213461 0.50000000000000 14.007 41 N 0.70341193989890 0.39570284990428 0.32415139026194 14.007 42 N 0.05758973150083 0.22761816270206 0.50000000000000 14.007 43 N 0.73198345113298 0.09266928564387 0.65993955188253 14.007 44 N 0.26801654886702 0.90733071435613 0.34006044811747 14.007 45 N 0.94241026849917 0.77238183729794 0.50000000000000 14.007 46 N 0.29658806010110 0.60429715009572 0.32415139026194 14.007 47 N 0.23198345113298 0.40733071435613 0.15993955188253 14.007 48 N 0.57716321961874 0.75529735786539 0.50000000000000 14.007 49 N 0.73198345113298 0.09266928564387 0.34006044811747 14.007 50 N 0.79658806010110 0.89570284990428 0.17584860973806 14.007 51 N 0.76801654886702 0.59266928564387 0.15993955188253 14.007 52 N 0.55758973150083 0.27238183729794 0.00000000000000 14.007 53 N 0.20341193989890 0.10429715009572 0.17584860973806 14.007 54 N 0.07716321961874 0.74470264213461 0.00000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.648177499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.393230259999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.112276420000001 Atomic positions (fractional): 1 B 0.13154324446351 0.50458513979655 0.75541382459983 10.811 > 1 2 B 0.63154324446351 0.50458513979655 0.75541382459983 10.811 > 1 3 B 0.36974435587509 0.26113192704987 0.00000000000000 10.811 > 3 4 B 0.86974435587509 0.26113192704987 0.00000000000000 10.811 > 3 5 B 0.36845675553649 0.49541486020345 0.75541382459983 10.811 > 5 6 B 0.86845675553649 0.49541486020345 0.75541382459983 10.811 > 5 7 B 0.38154324446351 0.99541486020345 0.74458617540017 10.811 > 7 8 B 0.88154324446351 0.99541486020345 0.74458617540017 10.811 > 7 9 B 0.13025564412491 0.73886807295013 0.00000000000000 10.811 > 9 10 B 0.63025564412491 0.73886807295013 0.00000000000000 10.811 > 9 11 B 0.11845675553649 0.00458513979655 0.74458617540017 10.811 > 11 12 B 0.61845675553649 0.00458513979655 0.74458617540017 10.811 > 11 13 B 0.36845675553649 0.49541486020345 0.24458617540017 10.811 > 13 14 B 0.86845675553649 0.49541486020345 0.24458617540017 10.811 > 13 15 B 0.11974435587509 0.23886807295013 0.50000000000000 10.811 > 15 16 B 0.61974435587509 0.23886807295013 0.50000000000000 10.811 > 15 17 B 0.13154324446351 0.50458513979655 0.24458617540017 10.811 > 17 18 B 0.63154324446351 0.50458513979655 0.24458617540017 10.811 > 17 19 B 0.11845675553649 0.00458513979655 0.25541382459983 10.811 > 19 20 B 0.61845675553649 0.00458513979655 0.25541382459983 10.811 > 19 21 B 0.38025564412491 0.76113192704987 0.50000000000000 10.811 > 21 22 B 0.88025564412491 0.76113192704987 0.50000000000000 10.811 > 21 23 B 0.38154324446351 0.99541486020345 0.25541382459983 10.811 > 23 24 B 0.88154324446351 0.99541486020345 0.25541382459983 10.811 > 23 25 Ca 0.12275295322072 0.24221444412771 0.00000000000000 40.078 > 25 26 Ca 0.62275295322072 0.24221444412771 0.00000000000000 40.078 > 25 27 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 27 28 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 27 29 Ca 0.37724704677928 0.75778555587229 0.00000000000000 40.078 > 29 30 Ca 0.87724704677928 0.75778555587229 0.00000000000000 40.078 > 29 31 Ca 0.49425041344441 0.26072167481971 0.74685395789066 40.078 > 31 32 Ca 0.99425041344441 0.26072167481971 0.74685395789066 40.078 > 31 33 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 33 34 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 33 35 Ca 0.25574958655559 0.76072167481971 0.75314604210934 40.078 > 35 36 Ca 0.75574958655559 0.76072167481971 0.75314604210934 40.078 > 35 37 Ca 0.24425041344441 0.23927832518029 0.75314604210934 40.078 > 37 38 Ca 0.74425041344441 0.23927832518029 0.75314604210934 40.078 > 37 39 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 39 40 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 39 41 Ca 0.37275295322072 0.25778555587229 0.50000000000000 40.078 > 41 42 Ca 0.87275295322072 0.25778555587229 0.50000000000000 40.078 > 41 43 Ca 0.25000000000000 0.50000000000000 0.50000000000000 40.078 > 43 44 Ca 0.75000000000000 0.50000000000000 0.50000000000000 40.078 > 43 45 Ca 0.00574958655559 0.73927832518029 0.74685395789066 40.078 > 45 46 Ca 0.50574958655559 0.73927832518029 0.74685395789066 40.078 > 45 47 Ca 0.12724704677928 0.74221444412771 0.50000000000000 40.078 > 47 48 Ca 0.62724704677928 0.74221444412771 0.50000000000000 40.078 > 47 49 Ca 0.24425041344441 0.23927832518029 0.24685395789066 40.078 > 49 50 Ca 0.74425041344441 0.23927832518029 0.24685395789066 40.078 > 49 51 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 51 52 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 51 53 Ca 0.00574958655559 0.73927832518029 0.25314604210934 40.078 > 53 54 Ca 0.50574958655559 0.73927832518029 0.25314604210934 40.078 > 53 55 Ca 0.49425041344441 0.26072167481971 0.25314604210934 40.078 > 55 56 Ca 0.99425041344441 0.26072167481971 0.25314604210934 40.078 > 55 57 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 57 58 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 57 59 Ca 0.25574958655559 0.76072167481971 0.24685395789066 40.078 > 59 60 Ca 0.75574958655559 0.76072167481971 0.24685395789066 40.078 > 59 61 N 0.11599172556649 0.40733071435613 0.84006044811747 14.007 > 61 62 N 0.61599172556649 0.40733071435613 0.84006044811747 14.007 > 61 63 N 0.46141839019063 0.25529735786539 0.00000000000000 14.007 > 63 64 N 0.96141839019063 0.25529735786539 0.00000000000000 14.007 > 63 65 N 0.39829403005055 0.89570284990428 0.82415139026194 14.007 > 65 66 N 0.89829403005055 0.89570284990428 0.82415139026194 14.007 > 65 67 N 0.22120513424959 0.72761816270206 0.00000000000000 14.007 > 67 68 N 0.72120513424959 0.72761816270206 0.00000000000000 14.007 > 67 69 N 0.38400827443351 0.59266928564387 0.84006044811747 14.007 > 69 70 N 0.88400827443351 0.59266928564387 0.84006044811747 14.007 > 69 71 N 0.35170596994945 0.39570284990428 0.67584860973806 14.007 > 71 72 N 0.85170596994945 0.39570284990428 0.67584860973806 14.007 > 71 73 N 0.10170596994945 0.10429715009572 0.82415139026194 14.007 > 73 74 N 0.60170596994945 0.10429715009572 0.82415139026194 14.007 > 73 75 N 0.13400827443351 0.90733071435613 0.65993955188253 14.007 > 75 76 N 0.63400827443351 0.90733071435613 0.65993955188253 14.007 > 75 77 N 0.14829403005055 0.60429715009572 0.67584860973806 14.007 > 77 78 N 0.64829403005055 0.60429715009572 0.67584860973806 14.007 > 77 79 N 0.21141839019063 0.24470264213461 0.50000000000000 14.007 > 79 80 N 0.71141839019063 0.24470264213461 0.50000000000000 14.007 > 79 81 N 0.35170596994945 0.39570284990428 0.32415139026194 14.007 > 81 82 N 0.85170596994945 0.39570284990428 0.32415139026194 14.007 > 81 83 N 0.02879486575041 0.22761816270206 0.50000000000000 14.007 > 83 84 N 0.52879486575041 0.22761816270206 0.50000000000000 14.007 > 83 85 N 0.36599172556649 0.09266928564387 0.65993955188253 14.007 > 85 86 N 0.86599172556649 0.09266928564387 0.65993955188253 14.007 > 85 87 N 0.13400827443351 0.90733071435613 0.34006044811747 14.007 > 87 88 N 0.63400827443351 0.90733071435613 0.34006044811747 14.007 > 87 89 N 0.47120513424959 0.77238183729794 0.50000000000000 14.007 > 89 90 N 0.97120513424959 0.77238183729794 0.50000000000000 14.007 > 89 91 N 0.14829403005055 0.60429715009572 0.32415139026194 14.007 > 91 92 N 0.64829403005055 0.60429715009572 0.32415139026194 14.007 > 91 93 N 0.11599172556649 0.40733071435613 0.15993955188253 14.007 > 93 94 N 0.61599172556649 0.40733071435613 0.15993955188253 14.007 > 93 95 N 0.28858160980937 0.75529735786539 0.50000000000000 14.007 > 95 96 N 0.78858160980937 0.75529735786539 0.50000000000000 14.007 > 95 97 N 0.36599172556649 0.09266928564387 0.34006044811747 14.007 > 97 98 N 0.86599172556649 0.09266928564387 0.34006044811747 14.007 > 97 99 N 0.39829403005055 0.89570284990428 0.17584860973806 14.007 > 99 100 N 0.89829403005055 0.89570284990428 0.17584860973806 14.007 > 99 101 N 0.38400827443351 0.59266928564387 0.15993955188253 14.007 > 101 102 N 0.88400827443351 0.59266928564387 0.15993955188253 14.007 > 101 103 N 0.27879486575041 0.27238183729794 0.00000000000000 14.007 > 103 104 N 0.77879486575041 0.27238183729794 0.00000000000000 14.007 > 103 105 N 0.10170596994945 0.10429715009572 0.17584860973806 14.007 > 105 106 N 0.60170596994945 0.10429715009572 0.17584860973806 14.007 > 105 107 N 0.03858160980937 0.74470264213461 0.00000000000000 14.007 > 107 108 N 0.53858160980937 0.74470264213461 0.00000000000000 14.007 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3788656 0.0000000 0.0000000 0.0000000 4.4118237 0.0000000 0.0000000 0.0000000 4.2589193 -------------------------- Born effective charges -------------------------- 1 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 2 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 3 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 4 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 5 B 3.4821625 -0.2581640 0.0000000 -0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 6 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 7 B -0.0456178 0.5293377 -0.4407926 0.5062117 2.0249207 -1.7913781 -0.3488308 -1.6880864 1.1881286 8 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 9 B -0.0456178 0.5293377 0.4407926 0.5062117 2.0249207 1.7913781 0.3488308 1.6880864 1.1881286 10 B -0.0456178 -0.5293377 0.4407926 -0.5062117 2.0249207 -1.7913781 0.3488308 -1.6880864 1.1881286 11 B 3.4821625 0.2581640 0.0000000 0.4704706 -0.1535241 0.0000000 0.0000000 -0.0000000 -0.1738181 12 B -0.0456178 -0.5293377 -0.4407926 -0.5062117 2.0249207 1.7913781 -0.3488308 1.6880864 1.1881286 13 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 14 Ca 2.5295303 -0.0131717 0.0000000 0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 15 Ca 2.9214893 0.2909714 0.0000000 0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 16 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 17 Ca 2.3139198 -0.3007135 0.0000000 -0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 18 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 19 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 20 Ca 2.0475029 0.0179994 0.0000000 0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 21 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 22 Ca 2.0475029 -0.0179994 0.0000000 -0.0266258 2.4963540 0.0000000 0.0000000 -0.0000000 2.8906241 23 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 24 Ca 2.9214893 -0.2909714 0.0000000 -0.2113918 2.7402056 0.0000000 0.0000000 -0.0000000 2.9543408 25 Ca 2.4403998 0.0894255 -0.0936094 0.0741328 2.4111725 -0.2679990 -0.1028671 -0.2494724 2.3010086 26 Ca 2.3139198 0.3007135 0.0000000 0.1491914 2.2892196 0.0000000 0.0000000 -0.0000000 2.4134268 27 Ca 2.4403998 -0.0894255 -0.0936094 -0.0741328 2.4111725 0.2679990 -0.1028671 0.2494724 2.3010086 28 Ca 2.4403998 -0.0894255 0.0936094 -0.0741328 2.4111725 -0.2679990 0.1028671 -0.2494724 2.3010086 29 Ca 2.5295303 0.0131717 0.0000000 -0.1086316 2.1699631 0.0000000 0.0000000 -0.0000000 2.3001707 30 Ca 2.4403998 0.0894255 0.0936094 0.0741328 2.4111725 0.2679990 0.1028671 0.2494724 2.3010086 31 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 32 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 33 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 34 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 35 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 36 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 37 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 38 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 39 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 40 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 41 N -1.7791945 -0.1089700 0.3145042 -0.1060960 -2.9331875 0.9806424 0.3087517 0.9549654 -2.4929053 42 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 43 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 44 N -1.9260444 0.2595205 -0.2800995 0.2560718 -2.8767967 0.7954548 -0.2178588 0.7530131 -2.4111068 45 N -3.6915156 -0.1945872 0.0000000 -0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 46 N -1.7791945 -0.1089700 -0.3145042 -0.1060960 -2.9331875 -0.9806424 -0.3087517 -0.9549654 -2.4929053 47 N -1.9260444 -0.2595205 -0.2800995 -0.2560718 -2.8767967 -0.7954548 -0.2178588 -0.7530131 -2.4111068 48 N -3.5366988 -0.1379939 0.0000000 -0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 49 N -1.9260444 0.2595205 0.2800995 0.2560718 -2.8767967 -0.7954548 0.2178588 -0.7530131 -2.4111068 50 N -1.7791945 0.1089700 0.3145042 0.1060960 -2.9331875 -0.9806424 0.3087517 -0.9549654 -2.4929053 51 N -1.9260444 -0.2595205 0.2800995 -0.2560718 -2.8767967 0.7954548 0.2178588 0.7530131 -2.4111068 52 N -3.6915156 0.1945872 0.0000000 0.2376212 -1.5127236 0.0000000 0.0000000 -0.0000000 -1.8846607 53 N -1.7791945 0.1089700 -0.3145042 0.1060960 -2.9331875 0.9806424 -0.3087517 0.9549654 -2.4929053 54 N -3.5366988 0.1379939 0.0000000 0.2886916 -1.8039443 0.0000000 0.0000000 -0.0000000 -1.8682232 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 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 2.217 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.093 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.647 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 16.515 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 16.556 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.039 ( 0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 17.076 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.205 ( 0.000 0.000 0.000) 0.000 17.242 ( 0.000 0.000 0.000) 0.000 32.606 ( 0.000 0.000 0.000) 0.000 32.686 ( 0.000 0.000 0.000) 0.000 32.687 ( 0.000 0.000 0.000) 0.000 32.707 ( 0.000 0.000 0.000) 0.000 32.718 ( 0.000 0.000 0.000) 0.000 32.727 ( 0.000 0.000 0.000) 0.000 32.764 ( 0.000 0.000 0.000) 0.000 32.800 ( 0.000 0.000 0.000) 0.000 32.852 ( 0.000 0.000 0.000) 0.000 32.874 ( 0.000 0.000 0.000) 0.000 33.071 ( 0.000 0.000 0.000) 0.000 33.118 ( 0.000 0.000 0.000) 0.000 51.661 ( 0.000 0.000 0.000) 0.000 51.679 ( 0.000 0.000 0.000) 0.000 51.687 ( 0.000 0.000 0.000) 0.000 51.826 ( 0.000 0.000 0.000) 0.000 51.928 ( 0.000 0.000 0.000) 0.000 51.992 ( 0.000 0.000 0.000) 0.000 52.062 ( 0.000 0.000 0.000) 0.000 52.234 ( 0.000 0.000 0.000) 0.000 52.387 ( 0.000 0.000 0.000) 0.000 52.591 ( 0.000 0.000 0.000) 0.000 53.303 ( 0.000 0.000 0.000) 0.000 53.747 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 33.235 0.000 0.000) 33.235 0.761 ( 38.269 0.000 0.000) 38.269 1.649 ( 78.787 0.000 0.000) 78.787 2.274 ( 5.212 0.000 0.000) 5.212 2.474 ( 4.460 0.000 0.000) 4.460 2.604 ( 2.109 0.000 0.000) 2.109 2.679 ( 19.640 0.000 0.000) 19.640 2.707 ( -0.122 0.000 0.000) 0.122 2.716 ( -1.802 0.000 0.000) 1.802 2.765 ( 4.960 0.000 0.000) 4.960 2.931 ( 9.842 0.000 0.000) 9.842 3.015 ( 28.660 0.000 0.000) 28.660 3.180 ( 0.287 0.000 0.000) 0.287 3.223 ( 6.770 0.000 0.000) 6.770 3.384 ( 14.953 0.000 0.000) 14.953 3.412 ( 6.106 0.000 0.000) 6.106 3.800 ( 1.323 0.000 0.000) 1.323 3.819 ( 1.725 0.000 0.000) 1.725 3.837 ( 0.578 0.000 0.000) 0.578 4.045 ( 2.066 0.000 0.000) 2.066 4.117 ( -8.437 0.000 0.000) 8.437 4.257 ( -0.952 0.000 0.000) 0.952 4.270 ( 0.040 0.000 0.000) 0.040 4.314 ( 5.149 0.000 0.000) 5.149 4.338 ( 5.688 0.000 0.000) 5.688 4.483 ( 10.480 0.000 0.000) 10.480 4.583 ( -12.254 0.000 0.000) 12.254 4.769 ( -2.309 0.000 0.000) 2.309 4.779 ( -4.937 0.000 0.000) 4.937 4.795 ( -2.536 0.000 0.000) 2.536 4.801 ( 0.137 0.000 0.000) 0.137 4.985 ( 3.468 0.000 0.000) 3.468 5.017 ( 1.614 0.000 0.000) 1.614 5.034 ( 1.727 0.000 0.000) 1.727 5.148 ( 2.839 0.000 0.000) 2.839 5.156 ( 1.785 0.000 0.000) 1.785 5.255 ( -1.484 0.000 0.000) 1.484 5.277 ( -6.519 0.000 0.000) 6.519 5.325 ( -6.546 0.000 0.000) 6.546 5.326 ( 2.768 0.000 0.000) 2.768 5.341 ( -0.424 0.000 0.000) 0.424 5.443 ( 1.798 0.000 0.000) 1.798 5.552 ( -8.329 0.000 0.000) 8.329 5.658 ( 24.612 0.000 0.000) 24.612 5.661 ( 6.829 0.000 0.000) 6.829 5.746 ( 6.816 0.000 0.000) 6.816 5.784 ( -1.622 0.000 0.000) 1.622 5.918 ( -2.624 0.000 0.000) 2.624 5.959 ( -8.958 0.000 0.000) 8.958 5.987 ( 4.072 0.000 0.000) 4.072 5.990 ( 5.809 0.000 0.000) 5.809 6.003 ( -1.769 0.000 0.000) 1.769 6.020 ( 0.211 0.000 0.000) 0.211 6.051 ( 2.783 0.000 0.000) 2.783 6.183 ( 9.480 0.000 0.000) 9.480 6.305 ( -3.589 0.000 0.000) 3.589 6.440 ( -0.048 0.000 0.000) 0.048 6.484 ( 3.284 0.000 0.000) 3.284 6.493 ( -0.451 0.000 0.000) 0.451 6.573 ( -13.689 0.000 0.000) 13.689 6.668 ( 1.157 0.000 0.000) 1.157 6.691 ( 1.292 0.000 0.000) 1.292 6.811 ( 2.422 0.000 0.000) 2.422 6.879 ( 3.651 0.000 0.000) 3.651 6.923 ( -1.365 0.000 0.000) 1.365 7.089 ( -0.928 0.000 0.000) 0.928 7.259 ( 3.808 0.000 0.000) 3.808 7.260 ( -6.021 0.000 0.000) 6.021 7.400 ( 5.476 0.000 0.000) 5.476 7.419 ( -7.357 0.000 0.000) 7.357 7.455 ( -5.734 0.000 0.000) 5.734 7.576 ( 4.921 0.000 0.000) 4.921 7.662 ( 2.727 0.000 0.000) 2.727 7.766 ( 8.419 0.000 0.000) 8.419 7.859 ( -1.257 0.000 0.000) 1.257 7.860 ( -2.109 0.000 0.000) 2.109 7.892 ( 1.262 0.000 0.000) 1.262 8.041 ( -3.042 0.000 0.000) 3.042 8.065 ( -0.249 0.000 0.000) 0.249 8.151 ( 6.376 0.000 0.000) 6.376 8.195 ( -0.022 0.000 0.000) 0.022 8.272 ( -8.115 0.000 0.000) 8.115 8.337 ( -7.306 0.000 0.000) 7.306 8.391 ( -5.036 0.000 0.000) 5.036 8.741 ( 7.454 0.000 0.000) 7.454 8.904 ( 4.726 0.000 0.000) 4.726 8.956 ( 8.103 0.000 0.000) 8.103 9.002 ( -3.970 0.000 0.000) 3.970 9.195 ( -12.447 0.000 0.000) 12.447 9.216 ( -6.209 0.000 0.000) 6.209 9.286 ( 3.356 0.000 0.000) 3.356 9.341 ( 4.570 0.000 0.000) 4.570 9.573 ( -0.082 0.000 0.000) 0.082 9.591 ( 6.535 0.000 0.000) 6.535 9.609 ( 12.481 0.000 0.000) 12.481 9.690 ( -4.726 0.000 0.000) 4.726 9.701 ( 8.718 0.000 0.000) 8.718 9.880 ( 13.375 0.000 0.000) 13.375 10.013 ( -0.204 0.000 0.000) 0.204 10.159 ( -4.328 0.000 0.000) 4.328 10.457 ( -11.947 0.000 0.000) 11.947 10.473 ( -16.487 0.000 0.000) 16.487 10.544 ( -11.105 0.000 0.000) 11.105 10.843 ( 5.795 0.000 0.000) 5.795 10.940 ( -1.263 0.000 0.000) 1.263 11.036 ( -7.710 0.000 0.000) 7.710 11.112 ( 9.064 0.000 0.000) 9.064 11.299 ( -4.281 0.000 0.000) 4.281 11.345 ( 1.218 0.000 0.000) 1.218 11.533 ( -4.860 0.000 0.000) 4.860 11.601 ( 12.377 0.000 0.000) 12.377 11.618 ( -1.687 0.000 0.000) 1.687 11.785 ( 8.598 0.000 0.000) 8.598 12.999 ( -14.990 0.000 0.000) 14.990 16.523 ( 1.964 0.000 0.000) 1.964 16.531 ( 1.556 0.000 0.000) 1.556 16.549 ( 0.044 0.000 0.000) 0.044 16.556 ( -0.040 0.000 0.000) 0.040 16.646 ( -0.156 0.000 0.000) 0.156 16.647 ( 0.407 0.000 0.000) 0.407 16.656 ( -0.294 0.000 0.000) 0.294 16.727 ( -0.144 0.000 0.000) 0.144 16.750 ( 0.604 0.000 0.000) 0.604 16.786 ( 1.016 0.000 0.000) 1.016 16.902 ( -0.192 0.000 0.000) 0.192 16.905 ( -0.145 0.000 0.000) 0.145 16.916 ( 0.288 0.000 0.000) 0.288 16.944 ( 1.624 0.000 0.000) 1.624 16.961 ( 0.008 0.000 0.000) 0.008 17.026 ( -1.611 0.000 0.000) 1.611 17.032 ( -0.776 0.000 0.000) 0.776 17.099 ( 1.719 0.000 0.000) 1.719 17.113 ( -0.628 0.000 0.000) 0.628 17.141 ( 0.077 0.000 0.000) 0.077 17.159 ( -0.024 0.000 0.000) 0.024 17.165 ( 0.513 0.000 0.000) 0.513 17.199 ( -0.515 0.000 0.000) 0.515 17.246 ( 0.331 0.000 0.000) 0.331 32.611 ( 0.466 0.000 0.000) 0.466 32.690 ( 0.161 0.000 0.000) 0.161 32.691 ( 0.357 0.000 0.000) 0.357 32.693 ( -1.634 0.000 0.000) 1.634 32.708 ( -1.535 0.000 0.000) 1.535 32.711 ( -0.367 0.000 0.000) 0.367 32.763 ( -0.182 0.000 0.000) 0.182 32.797 ( -0.215 0.000 0.000) 0.215 32.838 ( -1.343 0.000 0.000) 1.343 32.865 ( -0.813 0.000 0.000) 0.813 33.047 ( -2.248 0.000 0.000) 2.248 33.103 ( -1.484 0.000 0.000) 1.484 51.659 ( -0.248 0.000 0.000) 0.248 51.675 ( -0.387 0.000 0.000) 0.387 51.781 ( -5.886 0.000 0.000) 5.886 51.838 ( -8.228 0.000 0.000) 8.228 52.002 ( -2.598 0.000 0.000) 2.598 52.021 ( 2.977 0.000 0.000) 2.977 52.297 ( 5.919 0.000 0.000) 5.919 52.357 ( -2.853 0.000 0.000) 2.853 52.561 ( -3.065 0.000 0.000) 3.065 52.891 ( 0.572 0.000 0.000) 0.572 53.446 ( 12.617 0.000 0.000) 12.617 54.013 ( 2.398 0.000 0.000) 2.398 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 29.765 0.000 0.000) 29.765 1.474 ( 34.231 0.000 0.000) 34.231 2.313 ( -2.381 0.000 0.000) 2.381 2.602 ( 8.482 0.000 0.000) 8.482 2.627 ( -6.757 0.000 0.000) 6.757 2.631 ( 1.858 0.000 0.000) 1.858 2.667 ( 10.534 0.000 0.000) 10.534 2.902 ( 6.693 0.000 0.000) 6.693 3.105 ( 37.530 0.000 0.000) 37.530 3.124 ( 22.364 0.000 0.000) 22.364 3.175 ( 14.295 0.000 0.000) 14.295 3.181 ( 16.108 0.000 0.000) 16.108 3.385 ( 8.733 0.000 0.000) 8.733 3.528 ( 22.058 0.000 0.000) 22.058 3.575 ( 8.727 0.000 0.000) 8.727 3.804 ( 24.647 0.000 0.000) 24.647 3.809 ( -0.511 0.000 0.000) 0.511 3.847 ( 0.104 0.000 0.000) 0.104 3.878 ( 3.862 0.000 0.000) 3.862 3.906 ( -10.782 0.000 0.000) 10.782 4.050 ( -1.922 0.000 0.000) 1.922 4.207 ( -7.008 0.000 0.000) 7.008 4.262 ( -1.488 0.000 0.000) 1.488 4.292 ( -12.425 0.000 0.000) 12.425 4.367 ( -0.362 0.000 0.000) 0.362 4.501 ( 7.689 0.000 0.000) 7.689 4.684 ( -3.322 0.000 0.000) 3.322 4.716 ( -5.349 0.000 0.000) 5.349 4.729 ( 6.147 0.000 0.000) 6.147 4.781 ( 13.484 0.000 0.000) 13.484 4.812 ( 0.470 0.000 0.000) 0.470 5.043 ( -1.227 0.000 0.000) 1.227 5.049 ( 2.815 0.000 0.000) 2.815 5.050 ( 1.548 0.000 0.000) 1.548 5.117 ( -2.353 0.000 0.000) 2.353 5.150 ( -5.620 0.000 0.000) 5.620 5.182 ( -2.139 0.000 0.000) 2.139 5.220 ( -4.473 0.000 0.000) 4.473 5.345 ( 5.808 0.000 0.000) 5.808 5.349 ( -1.202 0.000 0.000) 1.202 5.369 ( -9.022 0.000 0.000) 9.022 5.400 ( 10.089 0.000 0.000) 10.089 5.440 ( -2.478 0.000 0.000) 2.478 5.704 ( -13.842 0.000 0.000) 13.842 5.781 ( 1.392 0.000 0.000) 1.392 5.803 ( 5.467 0.000 0.000) 5.467 5.858 ( 3.738 0.000 0.000) 3.738 5.880 ( 0.453 0.000 0.000) 0.453 5.951 ( -10.918 0.000 0.000) 10.918 5.995 ( 2.408 0.000 0.000) 2.408 6.016 ( -0.982 0.000 0.000) 0.982 6.101 ( 5.432 0.000 0.000) 5.432 6.101 ( -6.021 0.000 0.000) 6.021 6.120 ( 4.771 0.000 0.000) 4.771 6.137 ( 6.867 0.000 0.000) 6.867 6.352 ( 7.152 0.000 0.000) 7.152 6.429 ( -3.474 0.000 0.000) 3.474 6.443 ( 0.340 0.000 0.000) 0.340 6.473 ( -1.357 0.000 0.000) 1.357 6.545 ( 2.646 0.000 0.000) 2.646 6.730 ( 4.853 0.000 0.000) 4.853 6.734 ( 2.860 0.000 0.000) 2.860 6.852 ( -4.852 0.000 0.000) 4.852 6.870 ( 3.413 0.000 0.000) 3.413 7.001 ( 9.890 0.000 0.000) 9.890 7.088 ( -11.116 0.000 0.000) 11.116 7.089 ( 1.419 0.000 0.000) 1.419 7.266 ( -6.276 0.000 0.000) 6.276 7.319 ( -2.613 0.000 0.000) 2.613 7.426 ( 5.672 0.000 0.000) 5.672 7.481 ( 0.138 0.000 0.000) 0.138 7.694 ( 6.663 0.000 0.000) 6.663 7.758 ( 6.110 0.000 0.000) 6.110 7.798 ( -4.194 0.000 0.000) 4.194 7.886 ( 2.619 0.000 0.000) 2.619 7.887 ( 2.640 0.000 0.000) 2.640 7.892 ( 8.417 0.000 0.000) 8.417 8.086 ( -4.677 0.000 0.000) 4.677 8.144 ( 10.011 0.000 0.000) 10.011 8.157 ( 15.759 0.000 0.000) 15.759 8.158 ( -10.080 0.000 0.000) 10.080 8.244 ( 4.063 0.000 0.000) 4.063 8.256 ( -8.439 0.000 0.000) 8.439 8.399 ( 7.460 0.000 0.000) 7.460 8.836 ( -4.818 0.000 0.000) 4.818 8.897 ( -1.892 0.000 0.000) 1.892 8.946 ( 1.450 0.000 0.000) 1.450 9.018 ( -13.599 0.000 0.000) 13.599 9.060 ( 4.640 0.000 0.000) 4.640 9.091 ( -0.021 0.000 0.000) 0.021 9.239 ( -4.571 0.000 0.000) 4.571 9.468 ( 8.141 0.000 0.000) 8.141 9.477 ( -10.175 0.000 0.000) 10.175 9.572 ( 0.110 0.000 0.000) 0.110 9.615 ( -2.595 0.000 0.000) 2.595 9.844 ( -3.890 0.000 0.000) 3.890 9.874 ( -9.651 0.000 0.000) 9.651 10.038 ( -7.953 0.000 0.000) 7.953 10.039 ( 11.820 0.000 0.000) 11.820 10.177 ( 9.022 0.000 0.000) 9.022 10.287 ( 8.584 0.000 0.000) 8.584 10.372 ( 5.559 0.000 0.000) 5.559 10.429 ( 8.161 0.000 0.000) 8.161 10.877 ( -4.008 0.000 0.000) 4.008 10.974 ( 7.109 0.000 0.000) 7.109 10.987 ( 1.764 0.000 0.000) 1.764 11.127 ( -1.381 0.000 0.000) 1.381 11.300 ( -0.639 0.000 0.000) 0.639 11.369 ( -0.675 0.000 0.000) 0.675 11.421 ( -4.325 0.000 0.000) 4.325 11.572 ( -2.925 0.000 0.000) 2.925 11.758 ( 3.305 0.000 0.000) 3.305 11.879 ( 0.110 0.000 0.000) 0.110 12.571 ( -28.321 0.000 0.000) 28.321 16.551 ( 0.084 0.000 0.000) 0.084 16.555 ( -0.031 0.000 0.000) 0.031 16.568 ( 2.030 0.000 0.000) 2.030 16.569 ( 2.498 0.000 0.000) 2.498 16.642 ( -0.322 0.000 0.000) 0.322 16.647 ( -0.621 0.000 0.000) 0.621 16.659 ( 0.912 0.000 0.000) 0.912 16.720 ( -0.558 0.000 0.000) 0.558 16.771 ( 1.617 0.000 0.000) 1.617 16.814 ( 1.695 0.000 0.000) 1.695 16.901 ( 0.124 0.000 0.000) 0.124 16.906 ( 0.169 0.000 0.000) 0.169 16.921 ( 0.261 0.000 0.000) 0.261 16.949 ( -0.513 0.000 0.000) 0.513 16.990 ( -1.984 0.000 0.000) 1.984 16.990 ( 2.273 0.000 0.000) 2.273 17.009 ( -1.542 0.000 0.000) 1.542 17.097 ( -1.031 0.000 0.000) 1.031 17.132 ( 1.534 0.000 0.000) 1.534 17.142 ( 0.093 0.000 0.000) 0.093 17.157 ( -0.173 0.000 0.000) 0.173 17.182 ( 1.263 0.000 0.000) 1.263 17.187 ( -0.659 0.000 0.000) 0.659 17.249 ( -0.146 0.000 0.000) 0.146 32.624 ( 0.783 0.000 0.000) 0.783 32.655 ( -1.925 0.000 0.000) 1.925 32.662 ( -1.984 0.000 0.000) 1.984 32.699 ( -1.004 0.000 0.000) 1.004 32.701 ( 0.678 0.000 0.000) 0.678 32.711 ( 1.101 0.000 0.000) 1.101 32.754 ( -0.747 0.000 0.000) 0.747 32.796 ( 0.219 0.000 0.000) 0.219 32.807 ( -1.608 0.000 0.000) 1.608 32.845 ( -1.159 0.000 0.000) 1.159 32.999 ( -2.136 0.000 0.000) 2.136 33.062 ( -2.565 0.000 0.000) 2.565 51.621 ( -8.331 0.000 0.000) 8.331 51.654 ( -0.220 0.000 0.000) 0.220 51.658 ( -8.971 0.000 0.000) 8.971 51.666 ( -0.540 0.000 0.000) 0.540 52.016 ( 3.064 0.000 0.000) 3.064 52.104 ( 5.319 0.000 0.000) 5.319 52.286 ( -4.312 0.000 0.000) 4.312 52.448 ( 9.021 0.000 0.000) 9.021 52.476 ( -5.469 0.000 0.000) 5.469 52.874 ( -2.688 0.000 0.000) 2.688 53.712 ( 13.192 0.000 0.000) 13.192 54.055 ( 1.241 0.000 0.000) 1.241 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 22.877 0.000 0.000) 22.877 2.062 ( 25.108 0.000 0.000) 25.108 2.154 ( -13.328 0.000 0.000) 13.328 2.436 ( -13.648 0.000 0.000) 13.648 2.685 ( 3.745 0.000 0.000) 3.745 2.754 ( -1.412 0.000 0.000) 1.412 2.795 ( 10.644 0.000 0.000) 10.644 2.951 ( -3.160 0.000 0.000) 3.160 3.218 ( 10.120 0.000 0.000) 10.120 3.439 ( 10.827 0.000 0.000) 10.827 3.444 ( -1.785 0.000 0.000) 1.785 3.514 ( 3.105 0.000 0.000) 3.105 3.567 ( 4.401 0.000 0.000) 4.401 3.753 ( 2.147 0.000 0.000) 2.147 3.779 ( -2.133 0.000 0.000) 2.133 3.802 ( -4.718 0.000 0.000) 4.718 3.881 ( 2.348 0.000 0.000) 2.348 3.910 ( 6.351 0.000 0.000) 6.351 3.950 ( 3.106 0.000 0.000) 3.106 4.012 ( -5.364 0.000 0.000) 5.364 4.140 ( 25.704 0.000 0.000) 25.704 4.203 ( -1.790 0.000 0.000) 1.790 4.210 ( -2.633 0.000 0.000) 2.633 4.316 ( -3.187 0.000 0.000) 3.187 4.334 ( 23.848 0.000 0.000) 23.848 4.526 ( 2.737 0.000 0.000) 2.737 4.577 ( -9.521 0.000 0.000) 9.521 4.691 ( 3.842 0.000 0.000) 3.842 4.784 ( -3.934 0.000 0.000) 3.934 4.912 ( 12.212 0.000 0.000) 12.212 4.923 ( -17.223 0.000 0.000) 17.223 5.041 ( 6.054 0.000 0.000) 6.054 5.051 ( -5.866 0.000 0.000) 5.866 5.062 ( 0.112 0.000 0.000) 0.112 5.088 ( 1.133 0.000 0.000) 1.133 5.095 ( -0.059 0.000 0.000) 0.059 5.117 ( -5.524 0.000 0.000) 5.524 5.162 ( 10.395 0.000 0.000) 10.395 5.248 ( -10.118 0.000 0.000) 10.118 5.284 ( 1.037 0.000 0.000) 1.037 5.358 ( -5.139 0.000 0.000) 5.139 5.411 ( -16.583 0.000 0.000) 16.583 5.482 ( 7.313 0.000 0.000) 7.313 5.627 ( -10.357 0.000 0.000) 10.357 5.705 ( 19.425 0.000 0.000) 19.425 5.819 ( 1.739 0.000 0.000) 1.739 5.833 ( 0.076 0.000 0.000) 0.076 5.936 ( 2.571 0.000 0.000) 2.571 5.941 ( 6.909 0.000 0.000) 6.909 5.980 ( -2.296 0.000 0.000) 2.296 6.028 ( -9.039 0.000 0.000) 9.039 6.092 ( 6.577 0.000 0.000) 6.577 6.105 ( -8.222 0.000 0.000) 8.222 6.200 ( 4.376 0.000 0.000) 4.376 6.225 ( 3.396 0.000 0.000) 3.396 6.263 ( -11.109 0.000 0.000) 11.109 6.439 ( 0.219 0.000 0.000) 0.219 6.446 ( -0.248 0.000 0.000) 0.248 6.505 ( 8.687 0.000 0.000) 8.687 6.601 ( 3.780 0.000 0.000) 3.780 6.716 ( -7.852 0.000 0.000) 7.852 6.721 ( -8.668 0.000 0.000) 8.668 6.826 ( 4.118 0.000 0.000) 4.118 6.884 ( -3.556 0.000 0.000) 3.556 6.968 ( 4.894 0.000 0.000) 4.894 7.110 ( -8.458 0.000 0.000) 8.458 7.147 ( 4.317 0.000 0.000) 4.317 7.217 ( 3.647 0.000 0.000) 3.647 7.276 ( 2.809 0.000 0.000) 2.809 7.413 ( -5.875 0.000 0.000) 5.875 7.568 ( 7.448 0.000 0.000) 7.448 7.699 ( -5.939 0.000 0.000) 5.939 7.828 ( 6.894 0.000 0.000) 6.894 7.839 ( 4.805 0.000 0.000) 4.805 7.939 ( 4.690 0.000 0.000) 4.690 7.957 ( -6.026 0.000 0.000) 6.026 7.973 ( -8.472 0.000 0.000) 8.472 8.081 ( -8.944 0.000 0.000) 8.944 8.146 ( 17.428 0.000 0.000) 17.428 8.175 ( 12.503 0.000 0.000) 12.503 8.315 ( 2.935 0.000 0.000) 2.935 8.406 ( 15.401 0.000 0.000) 15.401 8.429 ( -3.871 0.000 0.000) 3.871 8.543 ( 18.134 0.000 0.000) 18.134 8.706 ( -6.037 0.000 0.000) 6.037 8.719 ( -16.250 0.000 0.000) 16.250 8.866 ( -2.509 0.000 0.000) 2.509 8.946 ( -4.669 0.000 0.000) 4.669 9.007 ( -3.988 0.000 0.000) 3.988 9.028 ( -4.024 0.000 0.000) 4.024 9.327 ( 7.740 0.000 0.000) 7.740 9.348 ( 1.061 0.000 0.000) 1.061 9.570 ( 0.530 0.000 0.000) 0.530 9.573 ( -13.973 0.000 0.000) 13.973 9.583 ( -0.950 0.000 0.000) 0.950 9.589 ( -15.835 0.000 0.000) 15.835 9.657 ( 10.065 0.000 0.000) 10.065 9.858 ( -10.143 0.000 0.000) 10.143 10.183 ( 9.566 0.000 0.000) 9.566 10.360 ( -5.411 0.000 0.000) 5.411 10.474 ( 16.996 0.000 0.000) 16.996 10.644 ( 2.633 0.000 0.000) 2.633 10.661 ( 14.527 0.000 0.000) 14.527 10.866 ( -1.401 0.000 0.000) 1.401 11.079 ( 6.040 0.000 0.000) 6.040 11.112 ( 0.046 0.000 0.000) 0.046 11.112 ( 7.063 0.000 0.000) 7.063 11.253 ( -7.355 0.000 0.000) 7.355 11.366 ( 16.521 0.000 0.000) 16.521 11.444 ( 3.050 0.000 0.000) 3.050 11.509 ( -3.413 0.000 0.000) 3.413 11.753 ( -1.885 0.000 0.000) 1.885 11.802 ( -5.982 0.000 0.000) 5.982 11.937 ( -34.553 0.000 0.000) 34.553 16.553 ( 0.099 0.000 0.000) 0.099 16.554 ( -0.067 0.000 0.000) 0.067 16.604 ( 1.549 0.000 0.000) 1.549 16.610 ( 1.450 0.000 0.000) 1.450 16.632 ( -0.935 0.000 0.000) 0.935 16.633 ( -0.638 0.000 0.000) 0.638 16.681 ( 1.236 0.000 0.000) 1.236 16.704 ( -1.071 0.000 0.000) 1.071 16.812 ( 2.283 0.000 0.000) 2.283 16.838 ( 0.143 0.000 0.000) 0.143 16.906 ( 0.283 0.000 0.000) 0.283 16.909 ( 0.024 0.000 0.000) 0.024 16.927 ( 0.382 0.000 0.000) 0.382 16.937 ( -0.640 0.000 0.000) 0.640 16.959 ( -0.595 0.000 0.000) 0.595 16.975 ( -1.718 0.000 0.000) 1.718 17.034 ( 2.142 0.000 0.000) 2.142 17.071 ( -1.609 0.000 0.000) 1.609 17.146 ( 0.288 0.000 0.000) 0.288 17.152 ( -0.343 0.000 0.000) 0.343 17.157 ( 0.998 0.000 0.000) 0.998 17.174 ( -0.770 0.000 0.000) 0.770 17.211 ( 1.613 0.000 0.000) 1.613 17.238 ( -1.014 0.000 0.000) 1.014 32.628 ( -0.612 0.000 0.000) 0.612 32.628 ( -0.747 0.000 0.000) 0.747 32.647 ( 0.958 0.000 0.000) 0.958 32.673 ( -1.493 0.000 0.000) 1.493 32.717 ( 0.927 0.000 0.000) 0.927 32.736 ( -1.019 0.000 0.000) 1.019 32.739 ( 1.736 0.000 0.000) 1.736 32.775 ( -1.800 0.000 0.000) 1.800 32.806 ( 0.705 0.000 0.000) 0.705 32.823 ( -1.043 0.000 0.000) 1.043 32.980 ( 0.427 0.000 0.000) 0.427 33.011 ( -2.412 0.000 0.000) 2.412 51.508 ( -2.663 0.000 0.000) 2.663 51.524 ( -4.191 0.000 0.000) 4.191 51.652 ( 0.057 0.000 0.000) 0.057 51.656 ( -0.387 0.000 0.000) 0.387 52.096 ( 4.787 0.000 0.000) 4.787 52.193 ( -5.020 0.000 0.000) 5.020 52.222 ( 6.648 0.000 0.000) 6.648 52.355 ( -6.726 0.000 0.000) 6.726 52.628 ( 9.023 0.000 0.000) 9.023 52.783 ( -6.509 0.000 0.000) 6.509 53.928 ( 8.557 0.000 0.000) 8.557 54.041 ( -3.068 0.000 0.000) 3.068 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 33.859 0.000) 33.859 0.997 ( 0.000 49.992 0.000) 49.992 1.454 ( 0.000 71.244 0.000) 71.244 2.251 ( 0.000 -18.249 0.000) 18.249 2.321 ( 0.000 9.833 0.000) 9.833 2.463 ( 0.000 3.291 0.000) 3.291 2.634 ( 0.000 -5.270 0.000) 5.270 2.672 ( 0.000 0.319 0.000) 0.319 2.738 ( 0.000 0.266 0.000) 0.266 2.768 ( 0.000 0.075 0.000) 0.075 2.796 ( 0.000 -0.490 0.000) 0.490 2.853 ( 0.000 2.011 0.000) 2.011 3.103 ( 0.000 -4.277 0.000) 4.277 3.157 ( 0.000 1.560 0.000) 1.560 3.259 ( 0.000 6.037 0.000) 6.037 3.430 ( 0.000 -20.962 0.000) 20.962 3.682 ( 0.000 14.442 0.000) 14.442 3.692 ( 0.000 -10.239 0.000) 10.239 3.836 ( 0.000 -7.976 0.000) 7.976 4.035 ( 0.000 7.860 0.000) 7.860 4.168 ( 0.000 -5.853 0.000) 5.853 4.224 ( 0.000 -9.077 0.000) 9.077 4.231 ( 0.000 -1.348 0.000) 1.348 4.249 ( 0.000 -0.747 0.000) 0.747 4.344 ( 0.000 -3.356 0.000) 3.356 4.366 ( 0.000 6.739 0.000) 6.739 4.672 ( 0.000 -3.358 0.000) 3.358 4.747 ( 0.000 -0.595 0.000) 0.595 4.754 ( 0.000 -1.864 0.000) 1.864 4.813 ( 0.000 0.548 0.000) 0.548 4.884 ( 0.000 7.293 0.000) 7.293 4.912 ( 0.000 -2.233 0.000) 2.233 4.929 ( 0.000 -13.105 0.000) 13.105 4.961 ( 0.000 4.450 0.000) 4.450 5.000 ( 0.000 0.190 0.000) 0.190 5.026 ( 0.000 -8.344 0.000) 8.344 5.239 ( 0.000 -12.424 0.000) 12.424 5.296 ( 0.000 6.820 0.000) 6.820 5.329 ( 0.000 -3.098 0.000) 3.098 5.377 ( 0.000 -1.171 0.000) 1.171 5.389 ( 0.000 1.643 0.000) 1.643 5.503 ( 0.000 4.563 0.000) 4.563 5.577 ( 0.000 0.910 0.000) 0.910 5.638 ( 0.000 2.056 0.000) 2.056 5.689 ( 0.000 24.288 0.000) 24.288 5.726 ( 0.000 9.218 0.000) 9.218 5.843 ( 0.000 4.156 0.000) 4.156 5.846 ( 0.000 -2.383 0.000) 2.383 5.930 ( 0.000 -0.742 0.000) 0.742 5.934 ( 0.000 -0.451 0.000) 0.451 6.005 ( 0.000 0.781 0.000) 0.781 6.138 ( 0.000 6.508 0.000) 6.508 6.160 ( 0.000 8.888 0.000) 8.888 6.162 ( 0.000 10.518 0.000) 10.518 6.190 ( 0.000 1.906 0.000) 1.906 6.393 ( 0.000 -3.769 0.000) 3.769 6.414 ( 0.000 -2.675 0.000) 2.675 6.523 ( 0.000 -6.520 0.000) 6.520 6.528 ( 0.000 2.126 0.000) 2.126 6.588 ( 0.000 -5.269 0.000) 5.269 6.718 ( 0.000 1.352 0.000) 1.352 6.765 ( 0.000 1.269 0.000) 1.269 6.770 ( 0.000 -1.528 0.000) 1.528 6.808 ( 0.000 0.845 0.000) 0.845 7.018 ( 0.000 -14.812 0.000) 14.812 7.020 ( 0.000 11.083 0.000) 11.083 7.291 ( 0.000 -3.140 0.000) 3.140 7.340 ( 0.000 -19.074 0.000) 19.074 7.389 ( 0.000 4.426 0.000) 4.426 7.437 ( 0.000 -3.716 0.000) 3.716 7.529 ( 0.000 -0.345 0.000) 0.345 7.565 ( 0.000 1.243 0.000) 1.243 7.604 ( 0.000 4.751 0.000) 4.751 7.713 ( 0.000 4.638 0.000) 4.638 7.741 ( 0.000 5.443 0.000) 5.443 7.868 ( 0.000 -1.656 0.000) 1.656 7.910 ( 0.000 3.316 0.000) 3.316 7.990 ( 0.000 -6.536 0.000) 6.536 8.040 ( 0.000 -2.024 0.000) 2.024 8.058 ( 0.000 -3.024 0.000) 3.024 8.126 ( 0.000 -2.655 0.000) 2.655 8.302 ( 0.000 -9.121 0.000) 9.121 8.307 ( 0.000 -7.315 0.000) 7.315 8.494 ( 0.000 5.500 0.000) 5.500 8.643 ( 0.000 8.634 0.000) 8.634 8.724 ( 0.000 -5.978 0.000) 5.978 8.775 ( 0.000 8.271 0.000) 8.271 8.947 ( 0.000 2.624 0.000) 2.624 9.093 ( 0.000 -12.239 0.000) 12.239 9.157 ( 0.000 -3.465 0.000) 3.465 9.324 ( 0.000 -7.795 0.000) 7.795 9.329 ( 0.000 -2.229 0.000) 2.229 9.524 ( 0.000 20.452 0.000) 20.452 9.539 ( 0.000 9.946 0.000) 9.946 9.604 ( 0.000 1.641 0.000) 1.641 9.725 ( 0.000 1.238 0.000) 1.238 9.793 ( 0.000 4.377 0.000) 4.377 9.829 ( 0.000 18.173 0.000) 18.173 9.963 ( 0.000 -6.359 0.000) 6.359 10.160 ( 0.000 -4.267 0.000) 4.267 10.498 ( 0.000 -25.822 0.000) 25.822 10.530 ( 0.000 -9.998 0.000) 9.998 10.773 ( 0.000 2.798 0.000) 2.798 10.797 ( 0.000 1.127 0.000) 1.127 10.875 ( 0.000 9.330 0.000) 9.330 11.114 ( 0.000 0.149 0.000) 0.149 11.117 ( 0.000 -2.978 0.000) 2.978 11.265 ( 0.000 -6.564 0.000) 6.564 11.312 ( 0.000 5.388 0.000) 5.388 11.450 ( 0.000 -12.814 0.000) 12.814 11.567 ( 0.000 -6.977 0.000) 6.977 11.609 ( 0.000 -3.222 0.000) 3.222 11.907 ( 0.000 23.351 0.000) 23.351 12.976 ( 0.000 -8.401 0.000) 8.401 16.504 ( 0.000 0.149 0.000) 0.149 16.514 ( 0.000 -0.091 0.000) 0.091 16.564 ( 0.000 1.375 0.000) 1.375 16.571 ( 0.000 0.130 0.000) 0.130 16.593 ( 0.000 0.036 0.000) 0.036 16.649 ( 0.000 0.133 0.000) 0.133 16.658 ( 0.000 -0.070 0.000) 0.070 16.711 ( 0.000 -1.720 0.000) 1.720 16.747 ( 0.000 0.284 0.000) 0.284 16.773 ( 0.000 -0.325 0.000) 0.325 16.899 ( 0.000 0.371 0.000) 0.371 16.913 ( 0.000 -0.055 0.000) 0.055 16.919 ( 0.000 0.714 0.000) 0.714 16.960 ( 0.000 -0.323 0.000) 0.323 17.010 ( 0.000 0.119 0.000) 0.119 17.032 ( 0.000 -0.412 0.000) 0.412 17.043 ( 0.000 -0.372 0.000) 0.372 17.054 ( 0.000 -0.727 0.000) 0.727 17.090 ( 0.000 1.210 0.000) 1.210 17.124 ( 0.000 0.416 0.000) 0.416 17.154 ( 0.000 -0.581 0.000) 0.581 17.156 ( 0.000 -0.366 0.000) 0.366 17.209 ( 0.000 0.404 0.000) 0.404 17.239 ( 0.000 -0.310 0.000) 0.310 32.609 ( 0.000 0.311 0.000) 0.311 32.690 ( 0.000 0.332 0.000) 0.332 32.692 ( 0.000 -2.027 0.000) 2.027 32.696 ( 0.000 0.008 0.000) 0.008 32.709 ( 0.000 0.108 0.000) 0.108 32.752 ( 0.000 -1.149 0.000) 1.149 32.758 ( 0.000 4.232 0.000) 4.232 32.812 ( 0.000 1.151 0.000) 1.151 32.872 ( 0.000 -0.256 0.000) 0.256 32.901 ( 0.000 4.033 0.000) 4.033 33.045 ( 0.000 -2.646 0.000) 2.646 33.102 ( 0.000 -1.627 0.000) 1.627 51.691 ( 0.000 3.172 0.000) 3.172 51.703 ( 0.000 1.637 0.000) 1.637 51.781 ( 0.000 9.850 0.000) 9.850 51.876 ( 0.000 -3.545 0.000) 3.545 51.960 ( 0.000 -3.168 0.000) 3.168 52.045 ( 0.000 3.695 0.000) 3.695 52.218 ( 0.000 -1.650 0.000) 1.650 52.465 ( 0.000 7.958 0.000) 7.958 52.515 ( 0.000 -7.753 0.000) 7.753 53.206 ( 0.000 -9.591 0.000) 9.591 53.555 ( 0.000 2.015 0.000) 2.015 53.727 ( 0.000 -2.025 0.000) 2.025 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 22.295 38.978 0.000) 44.904 1.380 ( 21.095 43.280 0.000) 48.147 1.874 ( 57.133 26.414 0.000) 62.944 2.354 ( 3.829 6.178 0.000) 7.268 2.497 ( 3.567 2.534 0.000) 4.376 2.578 ( 25.429 -6.406 0.000) 26.224 2.677 ( -1.703 2.175 0.000) 2.762 2.702 ( 6.141 -4.529 0.000) 7.630 2.759 ( -1.233 1.830 0.000) 2.207 2.761 ( 4.342 4.043 0.000) 5.933 2.940 ( 8.859 0.147 0.000) 8.861 2.993 ( 22.952 -2.107 0.000) 23.048 3.172 ( 6.625 -4.240 0.000) 7.865 3.180 ( 2.822 1.080 0.000) 3.021 3.391 ( 12.814 2.755 0.000) 13.107 3.460 ( 3.043 -20.600 0.000) 20.823 3.608 ( 0.639 13.033 0.000) 13.048 3.698 ( 0.472 -10.152 0.000) 10.163 3.946 ( 1.840 -8.004 0.000) 8.213 4.018 ( -1.491 6.385 0.000) 6.557 4.094 ( -4.284 -2.602 0.000) 5.012 4.209 ( -2.178 -1.953 0.000) 2.925 4.249 ( 2.106 -11.361 0.000) 11.554 4.304 ( 5.818 0.370 0.000) 5.830 4.392 ( 2.034 7.891 0.000) 8.149 4.444 ( 9.141 -3.558 0.000) 9.809 4.640 ( -1.890 -6.020 0.000) 6.310 4.736 ( -6.509 11.510 0.000) 13.223 4.738 ( -1.780 -1.378 0.000) 2.251 4.764 ( -6.410 -0.864 0.000) 6.468 4.804 ( 0.353 0.632 0.000) 0.724 4.947 ( 2.338 -2.425 0.000) 3.369 5.004 ( 0.189 -11.067 0.000) 11.068 5.013 ( 0.616 -0.816 0.000) 1.022 5.021 ( 6.931 -2.892 0.000) 7.510 5.089 ( 6.752 -2.667 0.000) 7.260 5.248 ( -6.374 -1.613 0.000) 6.575 5.270 ( 2.474 -6.000 0.000) 6.490 5.387 ( 6.527 2.005 0.000) 6.828 5.394 ( -3.467 4.384 0.000) 5.590 5.463 ( -0.364 1.918 0.000) 1.952 5.491 ( -3.049 11.370 0.000) 11.772 5.555 ( -6.748 -0.399 0.000) 6.759 5.625 ( 19.189 1.059 0.000) 19.218 5.721 ( 2.363 6.095 0.000) 6.537 5.771 ( 4.565 4.540 0.000) 6.438 5.814 ( -0.639 2.936 0.000) 3.004 5.906 ( -0.646 -1.023 0.000) 1.210 5.921 ( -0.250 -0.374 0.000) 0.450 5.928 ( 2.416 -0.712 0.000) 2.519 6.060 ( 1.642 4.180 0.000) 4.491 6.067 ( -5.924 8.054 0.000) 9.997 6.166 ( -3.950 4.072 0.000) 5.674 6.169 ( 0.948 5.632 0.000) 5.711 6.230 ( 8.499 6.033 0.000) 10.422 6.394 ( 0.463 -3.487 0.000) 3.518 6.426 ( 0.539 4.312 0.000) 4.345 6.479 ( -1.631 3.406 0.000) 3.777 6.519 ( -1.036 0.459 0.000) 1.133 6.610 ( -11.931 3.826 0.000) 12.529 6.613 ( 2.980 -2.873 0.000) 4.140 6.723 ( 0.996 1.218 0.000) 1.573 6.800 ( 2.893 -1.016 0.000) 3.066 6.850 ( 4.802 -2.534 0.000) 5.430 6.987 ( -3.035 -15.293 0.000) 15.591 7.013 ( -1.497 10.332 0.000) 10.439 7.205 ( -8.224 6.255 0.000) 10.332 7.352 ( -0.620 -13.586 0.000) 13.601 7.360 ( 0.414 1.492 0.000) 1.549 7.401 ( 1.780 4.937 0.000) 5.248 7.436 ( 0.330 -0.498 0.000) 0.598 7.573 ( 4.374 -0.421 0.000) 4.394 7.719 ( -1.390 3.685 0.000) 3.938 7.755 ( 4.253 0.667 0.000) 4.305 7.821 ( 4.030 -6.024 0.000) 7.248 7.856 ( -0.729 -1.237 0.000) 1.436 7.927 ( 0.509 4.193 0.000) 4.224 8.002 ( 1.734 -5.570 0.000) 5.833 8.012 ( -2.516 -2.782 0.000) 3.751 8.100 ( -0.565 -1.946 0.000) 2.026 8.154 ( 9.672 -3.154 0.000) 10.173 8.249 ( -8.335 -1.119 0.000) 8.410 8.258 ( -4.324 -7.052 0.000) 8.272 8.443 ( -5.062 5.402 0.000) 7.403 8.684 ( 6.145 -5.980 0.000) 8.575 8.791 ( 7.569 -2.849 0.000) 8.087 8.961 ( 6.824 1.396 0.000) 6.965 9.036 ( -6.063 -12.639 0.000) 14.018 9.037 ( -3.371 0.727 0.000) 3.449 9.152 ( -11.517 -5.729 0.000) 12.863 9.257 ( 6.636 -2.184 0.000) 6.986 9.391 ( 17.244 -8.892 0.000) 19.402 9.535 ( 1.268 17.931 0.000) 17.976 9.682 ( 1.917 6.993 0.000) 7.251 9.740 ( 11.719 2.287 0.000) 11.940 9.758 ( -2.854 6.376 0.000) 6.986 9.819 ( -1.035 17.454 0.000) 17.485 9.865 ( 15.950 -0.147 0.000) 15.951 9.946 ( -1.116 -5.568 0.000) 5.679 10.124 ( -3.589 -3.566 0.000) 5.059 10.361 ( -11.310 -13.378 0.000) 17.518 10.442 ( -7.018 -5.091 0.000) 8.669 10.642 ( -10.813 4.641 0.000) 11.767 10.757 ( -5.740 -4.834 0.000) 7.505 10.918 ( 3.879 7.419 0.000) 8.372 10.977 ( -3.977 -6.036 0.000) 7.229 11.043 ( -6.900 -5.130 0.000) 8.598 11.277 ( 1.109 -6.658 0.000) 6.749 11.354 ( 4.613 7.329 0.000) 8.659 11.410 ( -3.740 -11.596 0.000) 12.184 11.553 ( -1.400 -6.702 0.000) 6.847 11.742 ( 8.607 -4.195 0.000) 9.575 11.941 ( 3.355 23.216 0.000) 23.457 12.936 ( -9.456 -7.172 0.000) 11.868 16.524 ( 1.920 0.105 0.000) 1.923 16.531 ( 1.595 -0.052 0.000) 1.596 16.555 ( -0.103 0.812 0.000) 0.818 16.575 ( -0.039 1.499 0.000) 1.500 16.618 ( 1.439 -1.689 0.000) 2.219 16.648 ( -0.162 0.128 0.000) 0.206 16.656 ( -0.274 -0.051 0.000) 0.278 16.710 ( -0.124 -1.705 0.000) 1.709 16.753 ( 0.629 0.312 0.000) 0.702 16.782 ( 0.964 -0.382 0.000) 1.037 16.895 ( -0.168 0.130 0.000) 0.213 16.912 ( -0.140 0.022 0.000) 0.142 16.919 ( 0.060 0.466 0.000) 0.470 16.956 ( -0.414 -0.314 0.000) 0.520 16.987 ( 0.451 2.399 0.000) 2.441 17.021 ( -1.184 -0.259 0.000) 1.212 17.031 ( -1.000 -0.174 0.000) 1.015 17.104 ( 1.659 -2.178 0.000) 2.738 17.107 ( 1.443 0.780 0.000) 1.641 17.121 ( -0.176 0.322 0.000) 0.367 17.156 ( 0.000 -0.357 0.000) 0.357 17.159 ( 0.562 -0.525 0.000) 0.768 17.204 ( -0.439 0.500 0.000) 0.665 17.242 ( 0.241 -0.419 0.000) 0.483 32.581 ( -1.048 -1.122 0.000) 1.535 32.667 ( -2.346 -2.878 0.000) 3.713 32.694 ( 0.397 0.366 0.000) 0.540 32.694 ( -0.400 0.338 0.000) 0.523 32.709 ( -0.040 0.150 0.000) 0.156 32.744 ( -1.086 3.999 0.000) 4.144 32.754 ( 0.149 -0.970 0.000) 0.982 32.806 ( -0.558 0.960 0.000) 1.111 32.863 ( -0.848 -0.284 0.000) 0.895 32.889 ( -1.217 4.154 0.000) 4.329 33.020 ( -2.286 -2.677 0.000) 3.520 33.087 ( -1.480 -1.590 0.000) 2.172 51.692 ( 0.120 3.494 0.000) 3.496 51.731 ( 0.219 -3.027 0.000) 3.035 51.772 ( -0.842 9.409 0.000) 9.447 51.796 ( -6.356 -3.558 0.000) 7.284 51.936 ( -8.457 1.608 0.000) 8.609 51.987 ( 2.734 -3.375 0.000) 4.343 52.186 ( -3.196 -5.885 0.000) 6.697 52.486 ( -2.896 -7.580 0.000) 8.114 52.531 ( 6.264 12.140 0.000) 13.660 53.277 ( -9.083 18.924 0.000) 20.991 53.354 ( 11.390 -7.807 0.000) 13.809 53.911 ( 6.368 -8.048 0.000) 10.262 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 16.229 35.206 0.000) 38.766 1.748 ( 27.136 25.255 0.000) 37.070 2.373 ( -2.494 5.709 0.000) 6.230 2.592 ( 4.876 0.954 0.000) 4.968 2.609 ( 2.668 0.341 0.000) 2.690 2.704 ( -2.652 5.453 0.000) 6.064 2.740 ( 6.831 3.963 0.000) 7.898 2.850 ( 6.690 -5.075 0.000) 8.397 3.051 ( 24.952 -3.573 0.000) 25.206 3.170 ( 13.526 -2.305 0.000) 13.721 3.255 ( 42.940 11.048 0.000) 44.338 3.270 ( 11.424 7.226 0.000) 13.517 3.329 ( 8.468 -4.173 0.000) 9.440 3.482 ( 23.030 -4.083 0.000) 23.389 3.542 ( 4.800 -18.773 0.000) 19.377 3.601 ( 7.239 -3.081 0.000) 7.867 3.706 ( 0.489 -8.686 0.000) 8.699 3.800 ( 9.830 -12.303 0.000) 15.748 3.852 ( -2.439 6.299 0.000) 6.755 3.989 ( -1.280 3.776 0.000) 3.987 4.013 ( -2.305 3.522 0.000) 4.210 4.150 ( -4.165 -2.596 0.000) 4.908 4.358 ( 1.720 -1.942 0.000) 2.594 4.397 ( -2.791 7.303 0.000) 7.818 4.448 ( 11.029 -5.473 0.000) 12.312 4.459 ( -15.753 13.216 0.000) 20.563 4.584 ( 0.966 -11.846 0.000) 11.886 4.617 ( 0.860 -3.859 0.000) 3.953 4.716 ( -0.724 3.629 0.000) 3.700 4.779 ( 9.778 -0.546 0.000) 9.794 4.823 ( 0.591 1.260 0.000) 1.392 4.994 ( 3.110 -3.103 0.000) 4.393 4.998 ( -0.698 -9.864 0.000) 9.888 5.046 ( 2.396 -1.303 0.000) 2.727 5.123 ( -3.575 -0.577 0.000) 3.621 5.123 ( -0.650 2.017 0.000) 2.119 5.214 ( 6.564 -2.400 0.000) 6.989 5.278 ( -8.634 1.643 0.000) 8.789 5.338 ( 6.415 1.476 0.000) 6.582 5.388 ( -3.799 3.977 0.000) 5.500 5.424 ( -3.561 10.082 0.000) 10.692 5.482 ( 0.778 5.045 0.000) 5.105 5.520 ( -1.223 5.829 0.000) 5.956 5.785 ( -8.267 1.734 0.000) 8.447 5.790 ( 3.890 1.110 0.000) 4.045 5.815 ( 0.277 -3.942 0.000) 3.952 5.834 ( 2.998 2.470 0.000) 3.885 5.841 ( -6.993 -4.627 0.000) 8.385 5.859 ( -0.591 -1.120 0.000) 1.266 5.986 ( 1.036 -2.209 0.000) 2.440 6.007 ( -2.952 4.679 0.000) 5.532 6.102 ( 3.471 3.021 0.000) 4.602 6.162 ( -1.138 1.506 0.000) 1.888 6.167 ( 0.092 3.866 0.000) 3.867 6.336 ( 0.674 -1.665 0.000) 1.796 6.354 ( 0.678 13.096 0.000) 13.114 6.436 ( 1.470 -1.508 0.000) 2.107 6.452 ( -1.570 6.778 0.000) 6.957 6.510 ( 2.428 2.912 0.000) 3.791 6.576 ( 4.964 2.550 0.000) 5.581 6.698 ( 4.743 -1.491 0.000) 4.972 6.764 ( 2.932 1.196 0.000) 3.166 6.871 ( 3.665 -0.172 0.000) 3.669 6.909 ( -3.709 -9.896 0.000) 10.568 6.912 ( -4.141 4.355 0.000) 6.009 7.012 ( 7.322 3.044 0.000) 7.929 7.124 ( -0.196 2.062 0.000) 2.071 7.283 ( -6.068 -4.791 0.000) 7.731 7.322 ( -1.600 0.874 0.000) 1.823 7.469 ( 5.037 3.698 0.000) 6.249 7.506 ( 1.172 1.120 0.000) 1.621 7.677 ( 5.810 -1.699 0.000) 6.053 7.706 ( 3.106 -3.072 0.000) 4.369 7.778 ( -2.555 -1.552 0.000) 2.990 7.860 ( -2.206 -0.575 0.000) 2.279 7.909 ( 2.648 2.386 0.000) 3.564 7.966 ( 5.469 -7.275 0.000) 9.101 7.982 ( 1.852 -9.865 0.000) 10.038 8.063 ( 5.627 8.637 0.000) 10.308 8.124 ( 2.116 -9.894 0.000) 10.118 8.166 ( -2.633 -3.110 0.000) 4.074 8.234 ( 10.896 6.851 0.000) 12.871 8.307 ( -8.433 5.115 0.000) 9.863 8.379 ( 9.845 -2.229 0.000) 10.094 8.762 ( -0.330 -5.857 0.000) 5.866 8.856 ( -12.045 -12.252 0.000) 17.181 8.856 ( -2.417 -1.376 0.000) 2.781 8.960 ( 5.347 -5.494 0.000) 7.666 8.985 ( -4.941 -1.380 0.000) 5.130 9.059 ( -1.561 -3.857 0.000) 4.161 9.313 ( 0.952 4.659 0.000) 4.755 9.572 ( -6.753 7.153 0.000) 9.837 9.583 ( 3.764 11.962 0.000) 12.540 9.713 ( -1.183 9.419 0.000) 9.493 9.749 ( 5.566 -8.373 0.000) 10.054 9.790 ( -1.730 15.069 0.000) 15.168 9.897 ( -5.499 -1.228 0.000) 5.635 9.907 ( 1.718 -4.387 0.000) 4.711 10.025 ( -6.330 -1.300 0.000) 6.462 10.149 ( 10.971 -1.200 0.000) 11.037 10.299 ( -0.782 -0.638 0.000) 1.009 10.366 ( 13.248 -1.001 0.000) 13.285 10.522 ( 3.271 5.006 0.000) 5.980 10.710 ( 0.295 -9.582 0.000) 9.587 10.868 ( -3.652 -10.670 0.000) 11.278 10.998 ( 1.670 -9.974 0.000) 10.112 11.006 ( 4.775 3.407 0.000) 5.866 11.282 ( -2.803 -8.586 0.000) 9.032 11.347 ( -0.203 -6.535 0.000) 6.538 11.427 ( 1.491 9.532 0.000) 9.648 11.513 ( -2.696 -6.085 0.000) 6.656 11.844 ( 0.997 -3.548 0.000) 3.686 11.962 ( -2.494 16.355 0.000) 16.544 12.582 ( -25.656 -0.578 0.000) 25.662 16.558 ( 0.265 0.872 0.000) 0.911 16.568 ( 2.136 0.024 0.000) 2.136 16.570 ( 2.390 0.021 0.000) 2.391 16.573 ( -0.139 1.575 0.000) 1.581 16.643 ( 1.206 -1.491 0.000) 1.918 16.643 ( -0.345 0.099 0.000) 0.359 16.648 ( -0.590 0.001 0.000) 0.590 16.704 ( -0.487 -1.625 0.000) 1.697 16.775 ( 1.622 0.358 0.000) 1.661 16.809 ( 1.690 -0.465 0.000) 1.752 16.895 ( 0.140 -0.164 0.000) 0.215 16.911 ( -0.049 0.080 0.000) 0.094 16.921 ( 0.135 0.068 0.000) 0.151 16.945 ( -0.628 -0.386 0.000) 0.737 16.990 ( -1.912 0.007 0.000) 1.912 17.006 ( -1.628 -0.305 0.000) 1.656 17.015 ( 1.911 2.066 0.000) 2.814 17.105 ( -0.754 0.738 0.000) 1.055 17.128 ( 0.545 -1.219 0.000) 1.335 17.137 ( 1.482 0.499 0.000) 1.564 17.154 ( -0.207 -0.366 0.000) 0.421 17.177 ( 1.265 -0.450 0.000) 1.343 17.194 ( -0.611 0.632 0.000) 0.879 17.243 ( -0.201 -0.571 0.000) 0.606 32.578 ( 0.307 -2.929 0.000) 2.945 32.620 ( -1.957 -3.188 0.000) 3.741 32.666 ( -2.001 0.540 0.000) 2.073 32.702 ( -0.866 -0.140 0.000) 0.877 32.705 ( 0.751 0.461 0.000) 0.881 32.743 ( 1.040 3.192 0.000) 3.357 32.755 ( -0.215 -0.214 0.000) 0.303 32.796 ( -0.315 0.190 0.000) 0.368 32.842 ( -1.242 -0.381 0.000) 1.299 32.857 ( -1.926 4.109 0.000) 4.538 32.973 ( -1.978 -2.544 0.000) 3.223 33.047 ( -2.535 -1.513 0.000) 2.952 51.620 ( -7.135 0.101 0.000) 7.136 51.683 ( -8.024 1.981 0.000) 8.265 51.697 ( 0.392 4.381 0.000) 4.398 51.751 ( -1.222 8.382 0.000) 8.470 51.865 ( 1.985 -9.294 0.000) 9.504 52.063 ( 4.854 -4.089 0.000) 6.346 52.109 ( -4.385 -10.490 0.000) 11.369 52.406 ( -5.124 -7.054 0.000) 8.718 52.686 ( 9.103 16.698 0.000) 19.018 53.147 ( -5.489 20.839 0.000) 21.550 53.617 ( 13.319 -9.541 0.000) 16.384 53.983 ( 1.399 -7.146 0.000) 7.282 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 15.336 19.949 0.000) 25.162 2.229 ( 20.681 15.945 0.000) 26.114 2.257 ( -9.343 9.924 0.000) 13.630 2.527 ( -10.178 8.696 0.000) 13.387 2.657 ( 3.583 -0.521 0.000) 3.620 2.741 ( -3.990 -0.172 0.000) 3.994 2.784 ( 8.276 -0.780 0.000) 8.313 2.906 ( -2.161 -3.984 0.000) 4.532 3.399 ( 8.207 -9.067 0.000) 12.230 3.415 ( 9.594 14.890 0.000) 17.713 3.454 ( 15.066 -8.411 0.000) 17.255 3.467 ( 3.117 -5.330 0.000) 6.174 3.605 ( -8.433 3.746 0.000) 9.228 3.622 ( 5.156 -9.689 0.000) 10.975 3.716 ( -5.080 -1.099 0.000) 5.197 3.722 ( -0.651 -3.108 0.000) 3.175 3.817 ( 8.604 -5.872 0.000) 10.417 3.835 ( 6.532 -6.098 0.000) 8.936 3.969 ( -0.666 1.086 0.000) 1.273 4.021 ( -7.391 -0.259 0.000) 7.396 4.121 ( 21.635 1.781 0.000) 21.708 4.250 ( 13.531 -3.857 0.000) 14.070 4.260 ( -2.794 7.229 0.000) 7.750 4.300 ( -5.315 5.331 0.000) 7.528 4.311 ( -1.412 -0.094 0.000) 1.415 4.398 ( -7.514 -7.809 0.000) 10.837 4.650 ( 7.438 3.665 0.000) 8.292 4.744 ( 3.158 3.879 0.000) 5.002 4.809 ( -2.412 2.010 0.000) 3.140 4.819 ( 12.401 -9.038 0.000) 15.345 4.931 ( -1.323 -5.525 0.000) 5.681 4.980 ( -6.411 -1.403 0.000) 6.563 5.032 ( -0.200 -2.148 0.000) 2.157 5.062 ( -1.191 -3.234 0.000) 3.447 5.092 ( 1.382 0.158 0.000) 1.391 5.102 ( 4.723 2.716 0.000) 5.449 5.135 ( -3.068 1.045 0.000) 3.241 5.259 ( 1.115 6.961 0.000) 7.050 5.309 ( -10.427 5.539 0.000) 11.807 5.361 ( 1.457 7.422 0.000) 7.564 5.426 ( -8.154 0.588 0.000) 8.175 5.443 ( -5.602 7.523 0.000) 9.379 5.500 ( -2.264 -1.744 0.000) 2.858 5.542 ( 1.747 2.419 0.000) 2.983 5.783 ( 5.765 4.451 0.000) 7.283 5.843 ( 1.986 2.417 0.000) 3.128 5.861 ( 0.669 2.328 0.000) 2.423 5.895 ( 7.441 -7.943 0.000) 10.884 5.928 ( 3.487 -0.640 0.000) 3.546 5.930 ( -3.392 1.104 0.000) 3.567 5.987 ( -1.534 -0.061 0.000) 1.535 6.093 ( -9.807 1.734 0.000) 9.959 6.144 ( 3.785 -6.635 0.000) 7.638 6.197 ( 2.025 -1.402 0.000) 2.463 6.318 ( -0.721 -5.808 0.000) 5.853 6.359 ( 0.442 16.739 0.000) 16.745 6.378 ( -5.162 -5.895 0.000) 7.835 6.417 ( -3.851 12.543 0.000) 13.121 6.609 ( 5.530 5.440 0.000) 7.757 6.639 ( 3.751 4.221 0.000) 5.647 6.709 ( -4.094 0.047 0.000) 4.094 6.769 ( -8.587 5.144 0.000) 10.010 6.831 ( 3.260 0.439 0.000) 3.289 6.860 ( -0.088 -1.092 0.000) 1.095 6.986 ( 6.839 1.332 0.000) 6.968 7.138 ( -8.231 -0.176 0.000) 8.233 7.140 ( 4.907 0.183 0.000) 4.910 7.217 ( 1.376 -0.368 0.000) 1.424 7.303 ( 4.468 1.789 0.000) 4.813 7.446 ( -5.925 2.081 0.000) 6.279 7.583 ( 6.167 1.276 0.000) 6.298 7.695 ( -4.982 -0.481 0.000) 5.005 7.796 ( 5.377 -2.768 0.000) 6.047 7.823 ( 4.242 -2.258 0.000) 4.805 7.865 ( 1.224 -10.882 0.000) 10.950 7.895 ( -3.726 -3.971 0.000) 5.445 7.993 ( 2.514 1.915 0.000) 3.161 7.994 ( 3.628 -6.859 0.000) 7.760 8.098 ( -3.492 -13.916 0.000) 14.347 8.123 ( -8.734 3.763 0.000) 9.510 8.308 ( 13.037 -7.636 0.000) 15.109 8.333 ( 14.596 7.553 0.000) 16.434 8.497 ( 1.626 2.856 0.000) 3.287 8.564 ( 15.990 3.330 0.000) 16.334 8.588 ( -14.737 -10.528 0.000) 18.111 8.720 ( -1.306 0.566 0.000) 1.423 8.827 ( -1.575 -3.899 0.000) 4.205 8.910 ( -4.946 -3.562 0.000) 6.095 8.981 ( -1.541 -2.207 0.000) 2.692 9.007 ( -3.198 -2.927 0.000) 4.335 9.350 ( 4.021 4.606 0.000) 6.114 9.474 ( -2.763 8.323 0.000) 8.770 9.577 ( -9.005 4.026 0.000) 9.864 9.664 ( 3.542 7.996 0.000) 8.745 9.682 ( -12.401 7.045 0.000) 14.263 9.706 ( -0.703 10.463 0.000) 10.487 9.780 ( 2.423 10.259 0.000) 10.541 9.889 ( -7.181 2.978 0.000) 7.774 10.098 ( 11.093 -9.279 0.000) 14.462 10.292 ( -5.533 -6.844 0.000) 8.800 10.356 ( 11.627 -7.987 0.000) 14.106 10.516 ( -0.188 -8.790 0.000) 8.792 10.693 ( 8.491 -3.593 0.000) 9.220 10.799 ( -0.475 -5.744 0.000) 5.763 10.962 ( 15.273 -4.188 0.000) 15.837 11.082 ( 3.372 -3.876 0.000) 5.138 11.098 ( 4.670 -1.026 0.000) 4.781 11.192 ( -5.022 -5.466 0.000) 7.423 11.388 ( 3.109 -5.395 0.000) 6.227 11.453 ( -3.330 -5.567 0.000) 6.487 11.501 ( 12.666 10.306 0.000) 16.329 11.803 ( -2.777 -0.141 0.000) 2.781 11.852 ( -6.979 8.139 0.000) 10.722 11.997 ( -31.729 4.545 0.000) 32.053 16.564 ( 0.318 1.168 0.000) 1.210 16.569 ( -0.237 1.437 0.000) 1.456 16.605 ( 1.552 0.083 0.000) 1.554 16.609 ( 1.470 -0.022 0.000) 1.470 16.633 ( -0.917 0.058 0.000) 0.919 16.633 ( -0.672 0.038 0.000) 0.673 16.667 ( 1.265 -1.374 0.000) 1.868 16.690 ( -0.997 -1.472 0.000) 1.778 16.814 ( 2.143 0.246 0.000) 2.157 16.836 ( 0.413 -0.243 0.000) 0.480 16.901 ( 0.423 -0.301 0.000) 0.519 16.908 ( -0.263 -0.141 0.000) 0.298 16.925 ( 0.282 -0.151 0.000) 0.320 16.933 ( -0.555 -0.328 0.000) 0.645 16.958 ( -0.778 -0.095 0.000) 0.784 16.971 ( -1.696 -0.372 0.000) 1.737 17.052 ( 1.858 1.630 0.000) 2.472 17.084 ( -1.368 1.206 0.000) 1.824 17.138 ( 0.496 -0.752 0.000) 0.901 17.148 ( -0.442 -0.483 0.000) 0.655 17.162 ( 1.062 0.539 0.000) 1.190 17.180 ( -0.797 0.637 0.000) 1.020 17.206 ( 1.551 -0.506 0.000) 1.632 17.232 ( -0.992 -0.602 0.000) 1.160 32.581 ( 0.167 -2.720 0.000) 2.725 32.594 ( -1.053 -2.405 0.000) 2.625 32.648 ( 0.611 -0.848 0.000) 1.045 32.675 ( -1.691 -0.715 0.000) 1.836 32.722 ( 1.001 0.579 0.000) 1.156 32.742 ( -0.952 0.550 0.000) 1.099 32.773 ( 1.960 3.204 0.000) 3.756 32.800 ( 0.661 -0.554 0.000) 0.863 32.816 ( -2.278 3.564 0.000) 4.230 32.818 ( -1.146 -0.535 0.000) 1.265 32.960 ( 0.762 -1.882 0.000) 2.031 32.995 ( -2.502 -1.507 0.000) 2.921 51.527 ( -1.908 1.960 0.000) 2.735 51.552 ( -4.400 2.837 0.000) 5.235 51.708 ( 0.798 5.643 0.000) 5.699 51.727 ( -1.152 7.055 0.000) 7.148 51.933 ( 4.238 -11.966 0.000) 12.695 52.020 ( -4.629 -12.281 0.000) 13.125 52.171 ( 6.101 -5.132 0.000) 7.972 52.293 ( -6.234 -6.197 0.000) 8.790 52.867 ( 9.035 18.802 0.000) 20.860 53.027 ( -7.168 19.792 0.000) 21.050 53.839 ( 9.027 -9.015 0.000) 12.758 53.963 ( -3.610 -7.958 0.000) 8.739 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 30.257 0.000) 30.257 1.825 ( 0.000 -25.232 0.000) 25.232 1.883 ( 0.000 40.598 0.000) 40.598 2.453 ( 0.000 -16.409 0.000) 16.409 2.524 ( 0.000 8.984 0.000) 8.984 2.561 ( 0.000 7.411 0.000) 7.411 2.567 ( 0.000 20.989 0.000) 20.989 2.731 ( 0.000 24.690 0.000) 24.690 2.752 ( 0.000 1.278 0.000) 1.278 2.783 ( 0.000 -0.335 0.000) 0.335 2.783 ( 0.000 -12.431 0.000) 12.431 2.793 ( 0.000 2.967 0.000) 2.967 2.913 ( 0.000 -12.377 0.000) 12.377 3.179 ( 0.000 -2.678 0.000) 2.678 3.255 ( 0.000 6.386 0.000) 6.386 3.385 ( 0.000 3.882 0.000) 3.882 3.462 ( 0.000 -12.625 0.000) 12.625 3.549 ( 0.000 -18.986 0.000) 18.986 3.968 ( 0.000 14.791 0.000) 14.791 4.062 ( 0.000 -4.093 0.000) 4.093 4.064 ( 0.000 -1.253 0.000) 1.253 4.143 ( 0.000 3.972 0.000) 3.972 4.200 ( 0.000 -2.118 0.000) 2.118 4.223 ( 0.000 -3.009 0.000) 3.009 4.321 ( 0.000 1.788 0.000) 1.788 4.510 ( 0.000 7.983 0.000) 7.983 4.549 ( 0.000 -17.627 0.000) 17.627 4.660 ( 0.000 -7.049 0.000) 7.049 4.723 ( 0.000 -1.938 0.000) 1.938 4.783 ( 0.000 -0.333 0.000) 0.333 4.830 ( 0.000 1.465 0.000) 1.465 4.850 ( 0.000 -3.259 0.000) 3.259 4.868 ( 0.000 -2.243 0.000) 2.243 4.955 ( 0.000 -11.082 0.000) 11.082 5.007 ( 0.000 2.695 0.000) 2.695 5.011 ( 0.000 0.868 0.000) 0.868 5.169 ( 0.000 12.628 0.000) 12.628 5.337 ( 0.000 3.587 0.000) 3.587 5.343 ( 0.000 -3.656 0.000) 3.656 5.396 ( 0.000 4.184 0.000) 4.184 5.397 ( 0.000 -1.448 0.000) 1.448 5.507 ( 0.000 -7.479 0.000) 7.479 5.586 ( 0.000 3.614 0.000) 3.614 5.632 ( 0.000 -1.333 0.000) 1.333 5.810 ( 0.000 1.012 0.000) 1.012 5.825 ( 0.000 -0.619 0.000) 0.619 5.912 ( 0.000 0.222 0.000) 0.222 5.927 ( 0.000 0.994 0.000) 0.994 5.954 ( 0.000 3.234 0.000) 3.234 6.003 ( 0.000 0.571 0.000) 0.571 6.127 ( 0.000 14.587 0.000) 14.587 6.291 ( 0.000 -2.007 0.000) 2.007 6.312 ( 0.000 13.828 0.000) 13.828 6.334 ( 0.000 3.947 0.000) 3.947 6.339 ( 0.000 6.260 0.000) 6.260 6.351 ( 0.000 4.782 0.000) 4.782 6.388 ( 0.000 2.929 0.000) 2.929 6.420 ( 0.000 -1.434 0.000) 1.434 6.469 ( 0.000 -6.828 0.000) 6.828 6.547 ( 0.000 -1.690 0.000) 1.690 6.712 ( 0.000 -3.699 0.000) 3.699 6.729 ( 0.000 -3.694 0.000) 3.694 6.788 ( 0.000 -4.279 0.000) 4.279 6.815 ( 0.000 3.658 0.000) 3.658 6.841 ( 0.000 1.503 0.000) 1.503 6.902 ( 0.000 -20.472 0.000) 20.472 7.242 ( 0.000 5.086 0.000) 5.086 7.250 ( 0.000 -0.707 0.000) 0.707 7.420 ( 0.000 7.135 0.000) 7.135 7.474 ( 0.000 4.002 0.000) 4.002 7.523 ( 0.000 -0.940 0.000) 0.940 7.584 ( 0.000 -0.931 0.000) 0.931 7.675 ( 0.000 2.201 0.000) 2.201 7.745 ( 0.000 -8.477 0.000) 8.477 7.776 ( 0.000 2.049 0.000) 2.049 7.818 ( 0.000 -2.804 0.000) 2.804 7.883 ( 0.000 1.426 0.000) 1.426 7.933 ( 0.000 -2.148 0.000) 2.148 8.037 ( 0.000 2.215 0.000) 2.215 8.042 ( 0.000 2.487 0.000) 2.487 8.089 ( 0.000 -2.036 0.000) 2.036 8.136 ( 0.000 -7.175 0.000) 7.175 8.251 ( 0.000 4.167 0.000) 4.167 8.494 ( 0.000 -17.077 0.000) 17.077 8.645 ( 0.000 9.864 0.000) 9.864 8.822 ( 0.000 8.215 0.000) 8.215 8.858 ( 0.000 -11.932 0.000) 11.932 8.941 ( 0.000 -4.300 0.000) 4.300 8.954 ( 0.000 10.120 0.000) 10.120 9.090 ( 0.000 -3.057 0.000) 3.057 9.244 ( 0.000 0.381 0.000) 0.381 9.281 ( 0.000 -2.557 0.000) 2.557 9.643 ( 0.000 2.112 0.000) 2.112 9.670 ( 0.000 0.199 0.000) 0.199 9.784 ( 0.000 3.471 0.000) 3.471 9.829 ( 0.000 -5.504 0.000) 5.504 9.903 ( 0.000 7.694 0.000) 7.694 9.949 ( 0.000 18.788 0.000) 18.788 10.042 ( 0.000 -6.194 0.000) 6.194 10.103 ( 0.000 4.868 0.000) 4.868 10.145 ( 0.000 -4.626 0.000) 4.626 10.297 ( 0.000 -13.195 0.000) 13.195 10.815 ( 0.000 1.343 0.000) 1.343 10.819 ( 0.000 0.768 0.000) 0.768 11.077 ( 0.000 -0.925 0.000) 0.925 11.086 ( 0.000 -1.663 0.000) 1.663 11.088 ( 0.000 8.257 0.000) 8.257 11.123 ( 0.000 -6.029 0.000) 6.029 11.197 ( 0.000 -5.994 0.000) 5.994 11.378 ( 0.000 -12.097 0.000) 12.097 11.421 ( 0.000 5.741 0.000) 5.741 11.527 ( 0.000 -5.065 0.000) 5.065 12.362 ( 0.000 22.378 0.000) 22.378 12.738 ( 0.000 -16.231 0.000) 16.231 16.507 ( 0.000 0.215 0.000) 0.215 16.511 ( 0.000 -0.180 0.000) 0.180 16.575 ( 0.000 0.238 0.000) 0.238 16.579 ( 0.000 -0.057 0.000) 0.057 16.615 ( 0.000 2.403 0.000) 2.403 16.653 ( 0.000 0.202 0.000) 0.202 16.656 ( 0.000 -0.165 0.000) 0.165 16.667 ( 0.000 -2.687 0.000) 2.687 16.755 ( 0.000 0.480 0.000) 0.480 16.765 ( 0.000 -0.506 0.000) 0.506 16.906 ( 0.000 0.350 0.000) 0.350 16.911 ( 0.000 -0.165 0.000) 0.165 16.935 ( 0.000 0.889 0.000) 0.889 16.950 ( 0.000 -0.650 0.000) 0.650 17.017 ( 0.000 0.705 0.000) 0.705 17.029 ( 0.000 0.086 0.000) 0.086 17.035 ( 0.000 -0.442 0.000) 0.442 17.035 ( 0.000 -1.066 0.000) 1.066 17.115 ( 0.000 1.306 0.000) 1.306 17.134 ( 0.000 0.617 0.000) 0.617 17.138 ( 0.000 -1.036 0.000) 1.036 17.146 ( 0.000 -0.591 0.000) 0.591 17.219 ( 0.000 0.589 0.000) 0.589 17.230 ( 0.000 -0.537 0.000) 0.537 32.620 ( 0.000 0.959 0.000) 0.959 32.648 ( 0.000 -1.908 0.000) 1.908 32.702 ( 0.000 0.967 0.000) 0.967 32.704 ( 0.000 0.398 0.000) 0.398 32.709 ( 0.000 -0.110 0.000) 0.110 32.726 ( 0.000 -1.416 0.000) 1.416 32.838 ( 0.000 1.392 0.000) 1.392 32.861 ( 0.000 -0.895 0.000) 0.895 32.863 ( 0.000 6.024 0.000) 6.024 32.971 ( 0.000 -4.933 0.000) 4.933 32.983 ( 0.000 4.209 0.000) 4.209 33.055 ( 0.000 -3.175 0.000) 3.175 51.747 ( 0.000 2.837 0.000) 2.837 51.774 ( 0.000 5.187 0.000) 5.187 51.809 ( 0.000 -3.425 0.000) 3.425 51.877 ( 0.000 -5.156 0.000) 5.156 52.027 ( 0.000 14.671 0.000) 14.671 52.114 ( 0.000 3.388 0.000) 3.388 52.174 ( 0.000 -2.802 0.000) 2.802 52.306 ( 0.000 -13.416 0.000) 13.416 52.680 ( 0.000 13.778 0.000) 13.778 52.963 ( 0.000 -14.685 0.000) 14.685 53.608 ( 0.000 3.290 0.000) 3.290 53.674 ( 0.000 -3.307 0.000) 3.307 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 44.421 19.833 0.000) 48.647 2.006 ( 11.960 36.984 0.000) 38.869 2.254 ( 30.733 -14.258 0.000) 33.879 2.518 ( 2.937 20.232 0.000) 20.444 2.523 ( 6.513 -12.764 0.000) 14.330 2.595 ( 3.545 4.684 0.000) 5.874 2.637 ( 6.025 4.190 0.000) 7.339 2.730 ( 3.424 10.823 0.000) 11.352 2.773 ( 0.069 -5.917 0.000) 5.918 2.880 ( 7.171 -2.989 0.000) 7.769 2.907 ( 13.765 16.903 0.000) 21.799 2.920 ( 14.185 -6.347 0.000) 15.540 2.986 ( 6.957 -12.979 0.000) 14.726 3.197 ( 3.697 -1.219 0.000) 3.893 3.287 ( 3.343 6.208 0.000) 7.051 3.413 ( 1.950 -2.701 0.000) 3.331 3.480 ( 1.926 -11.698 0.000) 11.855 3.539 ( 0.139 -18.744 0.000) 18.745 3.982 ( 0.869 6.125 0.000) 6.186 4.081 ( 0.687 -5.153 0.000) 5.198 4.110 ( -2.884 3.712 0.000) 4.701 4.113 ( 6.863 14.822 0.000) 16.333 4.168 ( -2.855 -2.469 0.000) 3.774 4.317 ( 7.232 -0.241 0.000) 7.236 4.394 ( 6.670 -0.788 0.000) 6.717 4.542 ( 1.900 7.520 0.000) 7.756 4.558 ( 1.724 -10.555 0.000) 10.695 4.677 ( -0.044 -6.162 0.000) 6.162 4.685 ( -3.107 -1.497 0.000) 3.448 4.797 ( -0.314 -8.525 0.000) 8.530 4.833 ( 1.048 2.498 0.000) 2.709 4.886 ( 1.826 -2.020 0.000) 2.723 4.928 ( 8.989 -0.956 0.000) 9.039 4.951 ( -3.709 4.568 0.000) 5.884 4.996 ( -2.530 -0.977 0.000) 2.712 5.022 ( 6.927 -11.087 0.000) 13.073 5.243 ( 4.216 11.456 0.000) 12.207 5.291 ( -5.921 6.733 0.000) 8.966 5.410 ( -1.667 -3.365 0.000) 3.755 5.427 ( 3.828 -2.593 0.000) 4.623 5.503 ( -4.665 1.893 0.000) 5.035 5.534 ( -5.750 -1.498 0.000) 5.942 5.535 ( 11.190 -0.891 0.000) 11.225 5.559 ( 7.350 -5.665 0.000) 9.280 5.817 ( 1.475 3.315 0.000) 3.628 5.867 ( 2.785 -1.718 0.000) 3.272 5.906 ( 2.407 5.054 0.000) 5.598 5.914 ( -2.113 5.349 0.000) 5.751 5.964 ( 3.920 0.341 0.000) 3.935 5.968 ( -3.304 1.251 0.000) 3.533 6.170 ( -10.714 6.231 0.000) 12.394 6.174 ( 1.310 7.247 0.000) 7.364 6.247 ( -12.945 0.156 0.000) 12.946 6.258 ( -2.100 3.289 0.000) 3.902 6.307 ( -0.606 -2.128 0.000) 2.213 6.394 ( -0.095 0.341 0.000) 0.354 6.468 ( 6.960 3.296 0.000) 7.701 6.472 ( 4.938 3.283 0.000) 5.930 6.520 ( 4.838 -1.319 0.000) 5.015 6.593 ( 4.065 -1.312 0.000) 4.272 6.710 ( 1.564 -1.540 0.000) 2.195 6.745 ( -4.563 9.396 0.000) 10.446 6.774 ( 3.025 -3.057 0.000) 4.300 6.802 ( 2.092 -0.057 0.000) 2.093 6.843 ( 1.353 -0.046 0.000) 1.354 6.982 ( 5.940 -19.982 0.000) 20.847 7.221 ( -2.533 6.333 0.000) 6.820 7.301 ( 1.506 6.929 0.000) 7.091 7.343 ( -5.702 -0.486 0.000) 5.723 7.487 ( -4.132 -0.413 0.000) 4.153 7.493 ( 1.880 4.365 0.000) 4.753 7.555 ( 3.078 -1.828 0.000) 3.580 7.700 ( -0.520 -2.385 0.000) 2.441 7.734 ( -1.673 -5.739 0.000) 5.978 7.776 ( 0.081 1.001 0.000) 1.004 7.808 ( -0.593 -2.691 0.000) 2.755 7.877 ( 3.213 0.376 0.000) 3.235 7.949 ( 2.367 -3.349 0.000) 4.101 8.019 ( -2.151 3.159 0.000) 3.822 8.092 ( 3.533 -0.858 0.000) 3.635 8.115 ( 1.310 -1.710 0.000) 2.154 8.116 ( -1.916 -6.704 0.000) 6.973 8.317 ( 7.251 10.988 0.000) 13.165 8.591 ( -5.444 9.578 0.000) 11.017 8.601 ( 8.996 -14.395 0.000) 16.975 8.735 ( -2.352 6.727 0.000) 7.127 8.799 ( -6.067 -11.743 0.000) 13.218 8.912 ( -4.065 -10.181 0.000) 10.963 9.020 ( -4.099 3.660 0.000) 5.495 9.076 ( -4.063 -1.494 0.000) 4.329 9.269 ( 7.928 2.889 0.000) 8.438 9.324 ( 8.665 -1.862 0.000) 8.863 9.740 ( 1.771 0.531 0.000) 1.849 9.785 ( 10.027 -1.040 0.000) 10.081 9.859 ( 5.320 -0.889 0.000) 5.393 9.872 ( 8.569 -1.617 0.000) 8.720 9.885 ( -1.732 9.220 0.000) 9.381 9.927 ( -1.805 16.320 0.000) 16.420 10.019 ( -2.301 -5.068 0.000) 5.565 10.080 ( -2.325 3.534 0.000) 4.230 10.156 ( 2.787 -0.247 0.000) 2.798 10.294 ( 0.098 -9.554 0.000) 9.555 10.691 ( -7.236 2.491 0.000) 7.653 10.735 ( -8.175 -1.328 0.000) 8.282 10.917 ( -13.087 -0.559 0.000) 13.099 10.946 ( -12.448 -3.654 0.000) 12.973 11.086 ( -0.044 5.471 0.000) 5.471 11.129 ( 0.048 -6.524 0.000) 6.524 11.202 ( 0.883 -2.621 0.000) 2.766 11.373 ( -0.540 -11.369 0.000) 11.382 11.501 ( 6.724 7.481 0.000) 10.058 11.636 ( 7.996 -6.461 0.000) 10.280 12.373 ( -0.573 20.826 0.000) 20.833 12.721 ( -4.322 -14.936 0.000) 15.548 16.526 ( 1.815 0.151 0.000) 1.821 16.529 ( 1.693 -0.119 0.000) 1.697 16.573 ( 0.139 0.931 0.000) 0.941 16.592 ( 0.884 -1.010 0.000) 1.342 16.615 ( -0.049 2.456 0.000) 2.456 16.651 ( -0.185 0.186 0.000) 0.262 16.654 ( -0.228 -0.140 0.000) 0.267 16.666 ( -0.079 -2.661 0.000) 2.662 16.762 ( 0.710 0.542 0.000) 0.893 16.773 ( 0.838 -0.584 0.000) 1.022 16.901 ( -0.306 0.404 0.000) 0.507 16.909 ( -0.178 -0.321 0.000) 0.367 16.932 ( -0.257 0.769 0.000) 0.811 16.946 ( -0.402 -0.629 0.000) 0.746 17.020 ( -0.974 0.131 0.000) 0.982 17.025 ( -0.961 -0.378 0.000) 1.032 17.026 ( 1.175 1.832 0.000) 2.176 17.062 ( 1.871 -2.002 0.000) 2.740 17.126 ( 1.002 1.057 0.000) 1.457 17.133 ( -0.166 0.730 0.000) 0.749 17.145 ( 0.711 -0.911 0.000) 1.156 17.146 ( -0.026 -0.632 0.000) 0.633 17.217 ( -0.237 0.745 0.000) 0.782 17.231 ( 0.020 -0.700 0.000) 0.700 32.582 ( -2.849 0.988 0.000) 3.016 32.614 ( -2.867 -2.302 0.000) 3.677 32.702 ( -0.360 0.400 0.000) 0.538 32.707 ( 0.448 0.977 0.000) 1.075 32.708 ( -0.203 -0.189 0.000) 0.278 32.730 ( 0.399 -1.355 0.000) 1.412 32.830 ( -0.827 1.319 0.000) 1.557 32.842 ( -1.736 5.719 0.000) 5.977 32.852 ( -0.890 -0.896 0.000) 1.263 32.947 ( -2.228 -4.801 0.000) 5.293 32.972 ( -1.141 4.128 0.000) 4.283 33.042 ( -1.326 -3.048 0.000) 3.324 51.712 ( -2.716 0.710 0.000) 2.807 51.743 ( -5.630 -2.185 0.000) 6.039 51.783 ( 0.916 5.658 0.000) 5.732 51.894 ( 1.660 -5.270 0.000) 5.525 51.998 ( -9.679 4.004 0.000) 10.474 52.013 ( -1.348 13.857 0.000) 13.922 52.083 ( -7.594 -4.866 0.000) 9.019 52.282 ( -2.367 -13.050 0.000) 13.263 52.800 ( 10.414 15.486 0.000) 18.662 53.103 ( 12.173 -15.122 0.000) 19.413 53.569 ( -1.936 10.940 0.000) 11.110 53.751 ( 4.359 -8.556 0.000) 9.603 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 16.974 29.078 0.000) 33.670 2.354 ( 4.883 24.987 0.000) 25.459 2.480 ( 0.062 3.397 0.000) 3.398 2.641 ( 4.769 2.610 0.000) 5.436 2.674 ( 3.000 10.185 0.000) 10.618 2.719 ( 8.017 -7.642 0.000) 11.076 2.777 ( 0.575 -2.227 0.000) 2.300 2.820 ( 6.778 3.890 0.000) 7.815 2.987 ( 17.520 -2.801 0.000) 17.742 3.035 ( 7.377 -6.483 0.000) 9.821 3.139 ( 7.066 -14.412 0.000) 16.051 3.211 ( 9.515 -24.324 0.000) 26.119 3.364 ( 21.547 4.508 0.000) 22.014 3.399 ( 8.711 5.691 0.000) 10.405 3.444 ( 18.003 -2.180 0.000) 18.134 3.491 ( 20.944 3.722 0.000) 21.272 3.546 ( 5.309 -8.261 0.000) 9.820 3.608 ( 7.355 -6.240 0.000) 9.645 4.013 ( 2.430 7.272 0.000) 7.667 4.051 ( -2.934 2.933 0.000) 4.149 4.103 ( -3.798 -2.483 0.000) 4.537 4.180 ( 11.625 -11.165 0.000) 16.118 4.265 ( 6.780 18.471 0.000) 19.676 4.404 ( 0.562 -0.517 0.000) 0.764 4.482 ( -0.861 1.171 0.000) 1.453 4.513 ( -5.538 5.275 0.000) 7.648 4.590 ( -8.753 -1.104 0.000) 8.822 4.617 ( 2.289 4.571 0.000) 5.112 4.682 ( 7.489 -11.100 0.000) 13.390 4.787 ( -0.025 -11.118 0.000) 11.118 4.852 ( -4.310 6.622 0.000) 7.901 4.873 ( -0.194 4.980 0.000) 4.984 4.949 ( 4.197 -1.443 0.000) 4.438 4.999 ( 4.370 -3.289 0.000) 5.469 5.121 ( -8.256 3.347 0.000) 8.909 5.170 ( 15.537 -0.104 0.000) 15.537 5.193 ( 5.986 -1.240 0.000) 6.114 5.233 ( -11.554 -5.634 0.000) 12.854 5.308 ( 5.515 4.490 0.000) 7.111 5.488 ( 1.734 4.910 0.000) 5.208 5.490 ( 2.938 -9.347 0.000) 9.798 5.563 ( 3.952 -2.172 0.000) 4.509 5.614 ( -2.023 -0.683 0.000) 2.135 5.626 ( -2.491 2.998 0.000) 3.898 5.828 ( -13.207 4.132 0.000) 13.839 5.850 ( 0.288 4.922 0.000) 4.930 5.863 ( -0.147 2.042 0.000) 2.047 5.890 ( -1.335 1.582 0.000) 2.070 5.893 ( -16.700 -0.389 0.000) 16.705 5.944 ( 1.429 -2.807 0.000) 3.150 6.120 ( 7.168 5.984 0.000) 9.338 6.178 ( -2.527 1.950 0.000) 3.192 6.191 ( -2.822 3.482 0.000) 4.482 6.196 ( 5.523 -1.441 0.000) 5.708 6.277 ( -2.959 -3.228 0.000) 4.379 6.341 ( -2.576 -6.685 0.000) 7.164 6.519 ( 0.149 7.278 0.000) 7.279 6.602 ( 5.796 -0.392 0.000) 5.809 6.614 ( 6.745 6.876 0.000) 9.632 6.684 ( 4.519 -0.520 0.000) 4.548 6.723 ( 1.800 14.650 0.000) 14.761 6.765 ( 3.533 1.219 0.000) 3.738 6.820 ( 2.197 -1.090 0.000) 2.453 6.889 ( 5.745 2.468 0.000) 6.252 6.933 ( 6.962 -4.164 0.000) 8.113 7.067 ( 2.034 -14.676 0.000) 14.816 7.122 ( -5.178 6.785 0.000) 8.535 7.184 ( -7.274 3.626 0.000) 8.127 7.363 ( 2.337 4.405 0.000) 4.986 7.477 ( 0.349 -4.457 0.000) 4.471 7.544 ( 3.183 4.165 0.000) 5.242 7.624 ( 3.452 -3.824 0.000) 5.151 7.625 ( -4.042 -3.710 0.000) 5.486 7.725 ( -0.468 -14.089 0.000) 14.097 7.770 ( -0.455 1.220 0.000) 1.302 7.829 ( 1.900 -5.109 0.000) 5.451 7.909 ( -4.166 4.269 0.000) 5.965 7.982 ( -0.274 4.371 0.000) 4.380 7.983 ( 1.195 -3.700 0.000) 3.888 8.076 ( -1.109 -5.279 0.000) 5.395 8.194 ( 13.150 5.039 0.000) 14.082 8.301 ( 15.764 -4.978 0.000) 16.532 8.443 ( -9.296 8.633 0.000) 12.686 8.486 ( 7.643 16.215 0.000) 17.926 8.630 ( -10.821 -10.777 0.000) 15.272 8.705 ( 1.476 2.409 0.000) 2.825 8.771 ( -1.427 -11.269 0.000) 11.359 8.837 ( 2.947 -6.433 0.000) 7.076 8.945 ( -2.010 -3.594 0.000) 4.118 8.956 ( -5.820 -2.551 0.000) 6.354 9.409 ( 4.747 5.443 0.000) 7.223 9.525 ( 9.600 -7.140 0.000) 11.965 9.729 ( -2.113 3.469 0.000) 4.062 9.812 ( -4.347 -4.813 0.000) 6.485 9.850 ( -1.398 10.887 0.000) 10.976 9.896 ( -1.138 10.602 0.000) 10.663 9.961 ( -3.333 -1.930 0.000) 3.852 9.987 ( 4.200 8.745 0.000) 9.702 10.019 ( -3.604 1.430 0.000) 3.877 10.135 ( 14.425 -2.913 0.000) 14.716 10.267 ( -1.112 -3.950 0.000) 4.104 10.272 ( 0.724 -3.173 0.000) 3.255 10.589 ( -4.594 3.304 0.000) 5.659 10.668 ( 4.916 0.558 0.000) 4.948 10.688 ( -5.703 -3.760 0.000) 6.831 10.806 ( 4.887 -9.093 0.000) 10.323 11.088 ( 0.227 2.667 0.000) 2.677 11.118 ( -0.849 -5.330 0.000) 5.397 11.235 ( 2.241 -1.181 0.000) 2.533 11.355 ( -1.310 -9.358 0.000) 9.449 11.604 ( 2.962 8.466 0.000) 8.969 11.747 ( 2.560 -6.342 0.000) 6.839 12.275 ( -10.259 14.768 0.000) 17.982 12.500 ( -18.377 -8.191 0.000) 20.120 16.569 ( 2.230 0.043 0.000) 2.231 16.570 ( 2.294 -0.015 0.000) 2.294 16.581 ( 0.611 1.443 0.000) 1.567 16.611 ( 0.830 -1.080 0.000) 1.362 16.613 ( 0.066 1.884 0.000) 1.885 16.645 ( -0.412 0.126 0.000) 0.431 16.647 ( -0.508 -0.065 0.000) 0.512 16.662 ( -0.338 -2.558 0.000) 2.581 16.784 ( 1.639 0.638 0.000) 1.759 16.798 ( 1.668 -0.705 0.000) 1.811 16.898 ( -0.063 0.384 0.000) 0.389 16.906 ( -0.074 -0.439 0.000) 0.445 16.927 ( -0.279 0.462 0.000) 0.540 16.936 ( -0.554 -0.502 0.000) 0.747 16.992 ( -1.815 0.237 0.000) 1.831 16.998 ( -1.743 -0.414 0.000) 1.792 17.056 ( 1.671 2.105 0.000) 2.687 17.094 ( 1.339 -1.820 0.000) 2.259 17.126 ( -0.517 0.939 0.000) 1.072 17.143 ( -0.309 -0.751 0.000) 0.812 17.150 ( 1.372 0.772 0.000) 1.574 17.165 ( 1.290 -0.743 0.000) 1.488 17.210 ( -0.488 0.963 0.000) 1.080 17.229 ( -0.335 -0.928 0.000) 0.986 32.544 ( -0.750 -0.311 0.000) 0.812 32.565 ( -1.675 -2.216 0.000) 2.777 32.678 ( -2.197 0.771 0.000) 2.329 32.693 ( -1.534 -0.686 0.000) 1.680 32.719 ( 0.826 0.987 0.000) 1.287 32.740 ( 0.636 -1.100 0.000) 1.271 32.809 ( -1.163 1.056 0.000) 1.571 32.820 ( 0.001 4.497 0.000) 4.497 32.829 ( -1.337 -0.908 0.000) 1.617 32.904 ( -1.628 -3.725 0.000) 4.065 32.941 ( -1.802 3.558 0.000) 3.988 33.006 ( -2.337 -2.774 0.000) 3.627 51.632 ( -4.417 1.321 0.000) 4.610 51.676 ( -1.433 -2.992 0.000) 3.318 51.810 ( 1.791 6.941 0.000) 7.169 51.811 ( -8.087 3.837 0.000) 8.950 51.930 ( 0.937 -0.004 0.000) 0.937 51.931 ( -7.366 -7.944 0.000) 10.834 51.988 ( -0.053 6.025 0.000) 6.025 52.218 ( -4.078 -11.966 0.000) 12.642 53.028 ( 12.003 18.229 0.000) 21.826 53.363 ( 13.288 -15.809 0.000) 20.652 53.520 ( -3.606 16.638 0.000) 17.024 53.796 ( -0.063 -12.038 0.000) 12.038 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 2.255 14.285 0.000) 14.462 2.452 ( -2.069 6.800 0.000) 7.108 2.594 ( 10.848 19.048 0.000) 21.920 2.702 ( -0.538 6.121 0.000) 6.144 2.737 ( 4.084 12.384 0.000) 13.040 2.784 ( 3.531 0.741 0.000) 3.608 2.818 ( -3.468 9.118 0.000) 9.755 2.842 ( 0.963 -1.391 0.000) 1.692 3.144 ( 4.404 -12.499 0.000) 13.253 3.189 ( 4.098 -16.351 0.000) 16.856 3.204 ( -0.674 -15.239 0.000) 15.254 3.241 ( -2.011 -23.686 0.000) 23.771 3.614 ( 11.343 3.667 0.000) 11.921 3.680 ( 5.945 -2.621 0.000) 6.497 3.693 ( 13.562 2.696 0.000) 13.827 3.723 ( 12.580 -3.080 0.000) 12.951 3.774 ( 7.768 5.129 0.000) 9.309 3.841 ( 0.485 1.802 0.000) 1.866 3.989 ( -3.367 1.029 0.000) 3.521 4.008 ( -5.715 -0.910 0.000) 5.787 4.219 ( 7.786 2.545 0.000) 8.191 4.237 ( -5.825 2.111 0.000) 6.196 4.300 ( 0.838 1.717 0.000) 1.910 4.381 ( 0.030 4.759 0.000) 4.759 4.387 ( -4.447 5.188 0.000) 6.833 4.413 ( -6.749 4.033 0.000) 7.862 4.616 ( 15.061 -4.608 0.000) 15.750 4.743 ( 8.908 -1.158 0.000) 8.983 4.771 ( 1.737 -5.543 0.000) 5.809 4.790 ( -0.669 1.614 0.000) 1.747 4.831 ( -3.612 -0.884 0.000) 3.718 4.883 ( 6.217 -7.557 0.000) 9.785 5.004 ( -1.435 -1.083 0.000) 1.798 5.008 ( -2.405 -0.536 0.000) 2.464 5.096 ( 3.510 0.118 0.000) 3.512 5.119 ( 1.214 -2.207 0.000) 2.519 5.152 ( -5.784 4.829 0.000) 7.535 5.291 ( -10.196 -8.667 0.000) 13.381 5.402 ( -5.705 7.106 0.000) 9.113 5.442 ( -10.701 3.087 0.000) 11.137 5.517 ( 1.504 7.217 0.000) 7.372 5.545 ( 13.076 5.148 0.000) 14.052 5.571 ( -3.144 3.095 0.000) 4.412 5.660 ( -0.277 1.010 0.000) 1.047 5.735 ( 14.608 -2.611 0.000) 14.840 5.809 ( 5.775 -2.858 0.000) 6.444 5.889 ( 3.907 0.300 0.000) 3.919 5.895 ( 2.703 1.524 0.000) 3.103 5.918 ( 3.570 0.763 0.000) 3.651 5.959 ( 0.813 -2.093 0.000) 2.245 6.040 ( -11.301 7.029 0.000) 13.309 6.061 ( -5.969 -1.153 0.000) 6.079 6.107 ( -7.671 -6.224 0.000) 9.878 6.113 ( -12.389 -0.541 0.000) 12.401 6.266 ( 2.275 1.299 0.000) 2.620 6.309 ( -1.627 -2.436 0.000) 2.930 6.609 ( 6.237 9.274 0.000) 11.177 6.707 ( 2.974 4.377 0.000) 5.292 6.707 ( 0.643 2.308 0.000) 2.396 6.734 ( 0.344 1.622 0.000) 1.658 6.737 ( 2.450 15.905 0.000) 16.093 6.835 ( 2.958 0.505 0.000) 3.001 6.855 ( 0.872 -0.087 0.000) 0.877 6.897 ( -9.547 5.601 0.000) 11.069 6.994 ( 4.566 0.206 0.000) 4.571 7.061 ( -2.234 -6.368 0.000) 6.749 7.148 ( 3.673 -0.515 0.000) 3.709 7.171 ( 6.409 -4.827 0.000) 8.023 7.345 ( -1.787 3.738 0.000) 4.144 7.435 ( -6.191 -3.921 0.000) 7.328 7.612 ( 3.796 -7.803 0.000) 8.677 7.616 ( 4.098 2.370 0.000) 4.734 7.670 ( 0.225 -2.557 0.000) 2.567 7.696 ( -3.190 -13.641 0.000) 14.009 7.759 ( 0.003 0.196 0.000) 0.196 7.807 ( -3.452 -4.256 0.000) 5.479 7.885 ( 2.339 1.386 0.000) 2.719 7.948 ( -3.189 -3.972 0.000) 5.094 8.051 ( 6.509 3.946 0.000) 7.612 8.136 ( 5.376 -4.363 0.000) 6.923 8.262 ( -6.347 5.055 0.000) 8.114 8.398 ( -12.262 -8.581 0.000) 14.967 8.497 ( 10.803 8.180 0.000) 13.550 8.562 ( 3.296 4.730 0.000) 5.765 8.621 ( 10.832 0.162 0.000) 10.833 8.708 ( 2.137 -3.994 0.000) 4.530 8.739 ( -0.572 -1.106 0.000) 1.245 8.813 ( -4.651 -5.793 0.000) 7.429 8.940 ( 0.561 -1.455 0.000) 1.560 8.945 ( 0.219 -2.210 0.000) 2.221 9.490 ( 4.689 9.297 0.000) 10.413 9.595 ( -4.009 3.391 0.000) 5.251 9.699 ( -0.180 4.295 0.000) 4.299 9.751 ( -1.377 -4.882 0.000) 5.073 9.843 ( 0.796 8.305 0.000) 8.343 9.874 ( -1.829 6.013 0.000) 6.286 9.917 ( 0.019 2.386 0.000) 2.386 9.952 ( -2.969 1.583 0.000) 3.364 10.005 ( 2.178 8.063 0.000) 8.352 10.153 ( -9.306 -4.576 0.000) 10.370 10.212 ( 1.667 -6.901 0.000) 7.100 10.283 ( -3.307 -14.465 0.000) 14.838 10.633 ( 7.706 -0.686 0.000) 7.736 10.674 ( 3.450 -4.986 0.000) 6.063 10.961 ( 14.124 2.104 0.000) 14.280 11.013 ( 8.997 -3.146 0.000) 9.532 11.094 ( 0.370 0.455 0.000) 0.587 11.103 ( -0.621 -2.126 0.000) 2.215 11.281 ( 2.314 -3.547 0.000) 4.235 11.323 ( -1.962 -6.571 0.000) 6.858 11.679 ( 9.204 7.423 0.000) 11.824 11.778 ( 3.921 -2.949 0.000) 4.906 11.996 ( -16.157 5.795 0.000) 17.165 12.052 ( -25.103 0.228 0.000) 25.104 16.594 ( 0.686 1.898 0.000) 2.018 16.606 ( -0.469 2.243 0.000) 2.292 16.607 ( 1.545 0.103 0.000) 1.549 16.609 ( 1.513 -0.065 0.000) 1.514 16.633 ( 1.093 -1.980 0.000) 2.261 16.634 ( -0.855 0.039 0.000) 0.856 16.634 ( -0.758 0.020 0.000) 0.759 16.652 ( -0.766 -2.321 0.000) 2.444 16.821 ( 1.719 0.423 0.000) 1.770 16.829 ( 1.061 -0.423 0.000) 1.142 16.899 ( 0.206 0.141 0.000) 0.250 16.904 ( -0.214 -0.281 0.000) 0.353 16.924 ( -0.007 0.053 0.000) 0.053 16.927 ( -0.353 -0.275 0.000) 0.448 16.958 ( -1.197 0.118 0.000) 1.203 16.963 ( -1.551 -0.397 0.000) 1.601 17.087 ( 1.425 1.754 0.000) 2.260 17.110 ( -0.708 1.049 0.000) 1.266 17.118 ( 0.677 -1.062 0.000) 1.259 17.134 ( -0.677 -0.972 0.000) 1.185 17.176 ( 1.205 0.833 0.000) 1.465 17.191 ( 0.892 -0.488 0.000) 1.016 17.198 ( -0.356 0.653 0.000) 0.744 17.216 ( -0.925 -0.963 0.000) 1.335 32.546 ( 0.619 -0.724 0.000) 0.953 32.554 ( 0.076 -1.495 0.000) 1.497 32.636 ( -1.214 0.044 0.000) 1.214 32.652 ( -2.237 -1.357 0.000) 2.617 32.737 ( 0.953 0.875 0.000) 1.294 32.749 ( -0.009 -0.117 0.000) 0.117 32.792 ( -0.239 0.102 0.000) 0.260 32.804 ( -1.151 -0.836 0.000) 1.423 32.841 ( 1.817 3.430 0.000) 3.881 32.879 ( -1.701 1.553 0.000) 2.303 32.922 ( 0.623 -0.866 0.000) 1.066 32.957 ( -2.436 -2.407 0.000) 3.424 51.586 ( -0.081 4.179 0.000) 4.179 51.626 ( -3.626 3.677 0.000) 5.164 51.742 ( 1.180 -6.069 0.000) 6.183 51.808 ( -5.058 -9.146 0.000) 10.451 51.852 ( 2.475 8.654 0.000) 9.001 51.903 ( -2.558 9.765 0.000) 10.094 52.040 ( 4.222 -7.373 0.000) 8.497 52.130 ( -4.757 -10.201 0.000) 11.256 53.247 ( 10.174 19.645 0.000) 22.123 53.416 ( -7.009 19.290 0.000) 20.524 53.595 ( 9.948 -15.908 0.000) 18.762 53.744 ( -5.226 -14.482 0.000) 15.396 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 0.000 38.196) 38.196 0.969 ( 0.000 0.000 47.099) 47.099 1.434 ( 0.000 0.000 68.911) 68.911 2.292 ( 0.000 0.000 5.996) 5.996 2.329 ( 0.000 0.000 -10.490) 10.490 2.496 ( 0.000 0.000 -14.925) 14.925 2.505 ( 0.000 0.000 1.835) 1.835 2.516 ( 0.000 0.000 -6.873) 6.873 2.669 ( 0.000 0.000 -1.744) 1.744 2.756 ( 0.000 0.000 9.591) 9.591 2.811 ( 0.000 0.000 1.750) 1.750 2.874 ( 0.000 0.000 5.208) 5.208 3.111 ( 0.000 0.000 -3.170) 3.170 3.294 ( 0.000 0.000 0.952) 0.952 3.312 ( 0.000 0.000 7.198) 7.198 3.327 ( 0.000 0.000 -2.757) 2.757 3.556 ( 0.000 0.000 -19.406) 19.406 3.584 ( 0.000 0.000 -6.365) 6.365 3.810 ( 0.000 0.000 -3.796) 3.796 3.982 ( 0.000 0.000 -12.193) 12.193 3.984 ( 0.000 0.000 3.484) 3.484 4.239 ( 0.000 0.000 1.444) 1.444 4.334 ( 0.000 0.000 -0.831) 0.831 4.374 ( 0.000 0.000 10.476) 10.476 4.421 ( 0.000 0.000 7.118) 7.118 4.565 ( 0.000 0.000 -14.074) 14.074 4.596 ( 0.000 0.000 15.463) 15.463 4.639 ( 0.000 0.000 -14.850) 14.850 4.763 ( 0.000 0.000 3.940) 3.940 4.811 ( 0.000 0.000 1.717) 1.717 4.857 ( 0.000 0.000 1.368) 1.368 4.965 ( 0.000 0.000 -4.267) 4.267 4.989 ( 0.000 0.000 0.618) 0.618 5.017 ( 0.000 0.000 3.920) 3.920 5.094 ( 0.000 0.000 -14.458) 14.458 5.144 ( 0.000 0.000 1.886) 1.886 5.183 ( 0.000 0.000 6.483) 6.483 5.197 ( 0.000 0.000 2.285) 2.285 5.255 ( 0.000 0.000 -2.781) 2.781 5.373 ( 0.000 0.000 3.179) 3.179 5.467 ( 0.000 0.000 0.475) 0.475 5.505 ( 0.000 0.000 11.625) 11.625 5.532 ( 0.000 0.000 5.148) 5.148 5.571 ( 0.000 0.000 -6.248) 6.248 5.586 ( 0.000 0.000 -0.227) 0.227 5.711 ( 0.000 0.000 12.868) 12.868 5.807 ( 0.000 0.000 -7.699) 7.699 5.879 ( 0.000 0.000 -2.317) 2.317 5.922 ( 0.000 0.000 2.265) 2.265 5.970 ( 0.000 0.000 -1.921) 1.921 5.982 ( 0.000 0.000 2.799) 2.799 6.021 ( 0.000 0.000 5.253) 5.253 6.171 ( 0.000 0.000 10.327) 10.327 6.221 ( 0.000 0.000 6.360) 6.360 6.248 ( 0.000 0.000 -6.809) 6.809 6.421 ( 0.000 0.000 -2.311) 2.311 6.437 ( 0.000 0.000 1.397) 1.397 6.459 ( 0.000 0.000 -7.772) 7.772 6.615 ( 0.000 0.000 -8.467) 8.467 6.639 ( 0.000 0.000 3.088) 3.088 6.679 ( 0.000 0.000 -0.094) 0.094 6.693 ( 0.000 0.000 1.895) 1.895 6.780 ( 0.000 0.000 0.154) 0.154 6.794 ( 0.000 0.000 -10.453) 10.453 6.814 ( 0.000 0.000 2.396) 2.396 7.218 ( 0.000 0.000 -10.088) 10.088 7.251 ( 0.000 0.000 2.782) 2.782 7.334 ( 0.000 0.000 -0.610) 0.610 7.346 ( 0.000 0.000 -4.099) 4.099 7.453 ( 0.000 0.000 -5.622) 5.622 7.526 ( 0.000 0.000 -0.415) 0.415 7.635 ( 0.000 0.000 0.689) 0.689 7.707 ( 0.000 0.000 4.710) 4.710 7.817 ( 0.000 0.000 -12.705) 12.705 7.828 ( 0.000 0.000 12.661) 12.661 7.836 ( 0.000 0.000 -3.002) 3.002 7.919 ( 0.000 0.000 2.457) 2.457 7.988 ( 0.000 0.000 10.925) 10.925 8.089 ( 0.000 0.000 0.017) 0.017 8.095 ( 0.000 0.000 -0.050) 0.050 8.224 ( 0.000 0.000 -11.262) 11.262 8.233 ( 0.000 0.000 14.530) 14.530 8.265 ( 0.000 0.000 3.708) 3.708 8.772 ( 0.000 0.000 11.581) 11.581 8.845 ( 0.000 0.000 -7.049) 7.049 8.855 ( 0.000 0.000 7.005) 7.005 8.886 ( 0.000 0.000 -20.017) 20.017 8.930 ( 0.000 0.000 18.018) 18.018 9.123 ( 0.000 0.000 -2.180) 2.180 9.179 ( 0.000 0.000 -5.383) 5.383 9.270 ( 0.000 0.000 -0.623) 0.623 9.303 ( 0.000 0.000 -3.309) 3.309 9.388 ( 0.000 0.000 6.772) 6.772 9.601 ( 0.000 0.000 0.924) 0.924 9.667 ( 0.000 0.000 -0.669) 0.669 9.812 ( 0.000 0.000 17.090) 17.090 9.826 ( 0.000 0.000 13.775) 13.775 9.920 ( 0.000 0.000 -2.868) 2.868 9.997 ( 0.000 0.000 -2.071) 2.071 10.157 ( 0.000 0.000 -4.186) 4.186 10.418 ( 0.000 0.000 -22.458) 22.458 10.583 ( 0.000 0.000 -17.234) 17.234 10.610 ( 0.000 0.000 -3.932) 3.932 10.635 ( 0.000 0.000 -3.493) 3.493 10.694 ( 0.000 0.000 -12.569) 12.569 10.802 ( 0.000 0.000 -10.612) 10.612 11.154 ( 0.000 0.000 6.637) 6.637 11.192 ( 0.000 0.000 -14.099) 14.099 11.208 ( 0.000 0.000 -2.867) 2.867 11.362 ( 0.000 0.000 -2.606) 2.606 11.508 ( 0.000 0.000 11.593) 11.593 11.682 ( 0.000 0.000 5.359) 5.359 12.169 ( 0.000 0.000 27.641) 27.641 13.252 ( 0.000 0.000 -7.075) 7.075 16.512 ( 0.000 0.000 0.863) 0.863 16.520 ( 0.000 0.000 0.452) 0.452 16.554 ( 0.000 0.000 -0.221) 0.221 16.557 ( 0.000 0.000 0.809) 0.809 16.567 ( 0.000 0.000 -0.368) 0.368 16.645 ( 0.000 0.000 -1.349) 1.349 16.647 ( 0.000 0.000 0.417) 0.417 16.709 ( 0.000 0.000 -1.427) 1.427 16.760 ( 0.000 0.000 1.564) 1.564 16.797 ( 0.000 0.000 1.545) 1.545 16.911 ( 0.000 0.000 -0.024) 0.024 16.911 ( 0.000 0.000 -0.679) 0.679 16.914 ( 0.000 0.000 0.012) 0.012 16.963 ( 0.000 0.000 0.041) 0.041 16.965 ( 0.000 0.000 0.114) 0.114 16.991 ( 0.000 0.000 -4.036) 4.036 17.052 ( 0.000 0.000 1.195) 1.195 17.114 ( 0.000 0.000 -0.433) 0.433 17.128 ( 0.000 0.000 0.420) 0.420 17.129 ( 0.000 0.000 2.527) 2.527 17.156 ( 0.000 0.000 -0.329) 0.329 17.202 ( 0.000 0.000 -0.310) 0.310 17.242 ( 0.000 0.000 0.055) 0.055 17.244 ( 0.000 0.000 -0.044) 0.044 32.603 ( 0.000 0.000 -0.210) 0.210 32.664 ( 0.000 0.000 -1.323) 1.323 32.668 ( 0.000 0.000 -1.170) 1.170 32.679 ( 0.000 0.000 -2.924) 2.924 32.722 ( 0.000 0.000 0.731) 0.731 32.722 ( 0.000 0.000 0.073) 0.073 32.803 ( 0.000 0.000 0.238) 0.238 32.828 ( 0.000 0.000 4.803) 4.803 32.833 ( 0.000 0.000 -0.747) 0.747 32.938 ( 0.000 0.000 4.346) 4.346 33.057 ( 0.000 0.000 -1.486) 1.486 33.110 ( 0.000 0.000 -0.843) 0.843 51.663 ( 0.000 0.000 0.874) 0.874 51.737 ( 0.000 0.000 4.097) 4.097 51.743 ( 0.000 0.000 6.078) 6.078 51.806 ( 0.000 0.000 -1.959) 1.959 51.949 ( 0.000 0.000 1.956) 1.956 52.029 ( 0.000 0.000 -3.228) 3.228 52.211 ( 0.000 0.000 -2.179) 2.179 52.325 ( 0.000 0.000 -5.847) 5.847 52.693 ( 0.000 0.000 10.007) 10.007 53.041 ( 0.000 0.000 3.289) 3.289 53.277 ( 0.000 0.000 -2.496) 2.496 53.625 ( 0.000 0.000 -11.751) 11.751 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 17.559 0.000 38.122) 41.972 1.292 ( 27.922 0.000 35.405) 45.091 2.026 ( 53.788 0.000 34.698) 64.009 2.366 ( 6.543 0.000 9.060) 11.175 2.462 ( 2.664 0.000 -9.347) 9.719 2.488 ( 2.544 0.000 -7.977) 8.373 2.563 ( 4.024 0.000 -1.634) 4.343 2.604 ( 18.146 0.000 -7.381) 19.590 2.731 ( 5.498 0.000 -1.416) 5.677 2.831 ( 1.842 0.000 5.901) 6.182 2.948 ( 8.708 0.000 1.103) 8.777 3.000 ( 18.897 0.000 1.856) 18.988 3.179 ( 5.613 0.000 -0.660) 5.652 3.283 ( 0.971 0.000 -4.654) 4.754 3.376 ( 5.054 0.000 -4.458) 6.739 3.477 ( 15.630 0.000 8.975) 18.024 3.583 ( 1.978 0.000 -15.821) 15.945 3.635 ( 4.447 0.000 -7.969) 9.126 3.815 ( 2.605 0.000 1.780) 3.155 4.013 ( 1.841 0.000 -12.379) 12.515 4.115 ( 6.980 0.000 2.230) 7.327 4.232 ( -1.287 0.000 1.875) 2.274 4.278 ( -5.762 0.000 2.230) 6.179 4.429 ( -2.781 0.000 1.634) 3.226 4.432 ( 5.707 0.000 7.846) 9.702 4.474 ( -4.648 0.000 -6.984) 8.390 4.637 ( 4.154 0.000 8.865) 9.790 4.686 ( 1.409 0.000 -9.526) 9.630 4.715 ( -2.231 0.000 5.542) 5.974 4.821 ( 1.122 0.000 -1.315) 1.729 4.885 ( 2.575 0.000 3.003) 3.956 4.950 ( -2.588 0.000 -8.130) 8.531 5.039 ( 2.297 0.000 5.059) 5.556 5.046 ( 3.075 0.000 3.108) 4.372 5.113 ( -1.373 0.000 -1.550) 2.071 5.179 ( -1.850 0.000 1.508) 2.386 5.219 ( 2.814 0.000 2.941) 4.071 5.255 ( 7.548 0.000 -2.461) 7.939 5.276 ( 4.365 0.000 -8.414) 9.479 5.305 ( -4.232 0.000 2.993) 5.183 5.408 ( -3.913 0.000 8.648) 9.492 5.508 ( 2.088 0.000 4.265) 4.748 5.523 ( -2.547 0.000 -4.829) 5.460 5.664 ( 8.207 0.000 1.397) 8.325 5.679 ( 9.224 0.000 2.210) 9.485 5.725 ( 3.151 0.000 4.280) 5.315 5.797 ( -0.130 0.000 -7.605) 7.606 5.865 ( -1.514 0.000 2.047) 2.546 5.885 ( -1.853 0.000 0.028) 1.853 5.978 ( -0.407 0.000 2.124) 2.162 5.995 ( 1.505 0.000 1.467) 2.102 6.067 ( 2.600 0.000 3.941) 4.722 6.142 ( -5.709 0.000 2.498) 6.232 6.228 ( -0.776 0.000 0.824) 1.132 6.263 ( 4.382 0.000 0.573) 4.419 6.402 ( -2.730 0.000 6.148) 6.727 6.463 ( 3.165 0.000 -1.838) 3.660 6.479 ( 2.475 0.000 -4.209) 4.883 6.538 ( -8.061 0.000 -1.854) 8.271 6.538 ( -5.942 0.000 11.611) 13.043 6.683 ( -2.976 0.000 -0.396) 3.002 6.692 ( 1.520 0.000 -0.002) 1.520 6.770 ( 4.623 0.000 -4.084) 6.169 6.807 ( 0.925 0.000 -9.433) 9.478 6.807 ( 1.022 0.000 -0.543) 1.158 7.149 ( -6.842 0.000 -9.385) 11.615 7.199 ( -8.588 0.000 5.888) 10.413 7.284 ( 2.318 0.000 0.961) 2.509 7.389 ( 4.790 0.000 -0.957) 4.885 7.390 ( 2.210 0.000 -1.358) 2.594 7.515 ( -8.342 0.000 6.632) 10.657 7.567 ( 3.777 0.000 -0.225) 3.783 7.667 ( -1.891 0.000 3.391) 3.883 7.811 ( -1.525 0.000 -3.188) 3.534 7.858 ( -2.115 0.000 3.850) 4.393 7.870 ( -1.729 0.000 -4.880) 5.177 8.008 ( 1.467 0.000 -8.300) 8.429 8.041 ( 4.719 0.000 11.870) 12.774 8.056 ( -1.112 0.000 0.686) 1.307 8.128 ( 6.725 0.000 -3.823) 7.736 8.164 ( 0.187 0.000 9.544) 9.546 8.186 ( -1.923 0.000 -9.074) 9.276 8.327 ( 3.201 0.000 12.834) 13.227 8.532 ( -8.514 0.000 6.283) 10.581 8.804 ( -7.549 0.000 -17.873) 19.402 8.955 ( 2.074 0.000 12.193) 12.368 8.960 ( 4.221 0.000 0.813) 4.298 8.996 ( -2.513 0.000 1.036) 2.718 9.101 ( 1.653 0.000 10.456) 10.585 9.269 ( 0.496 0.000 0.753) 0.902 9.304 ( 6.722 0.000 -3.866) 7.754 9.328 ( 5.028 0.000 -8.839) 10.169 9.452 ( 1.350 0.000 1.087) 1.733 9.562 ( -5.090 0.000 -2.114) 5.511 9.698 ( 2.971 0.000 1.205) 3.206 9.742 ( 0.727 0.000 3.311) 3.390 9.876 ( 7.348 0.000 13.001) 14.934 9.924 ( 4.015 0.000 5.106) 6.495 9.999 ( 4.242 0.000 1.234) 4.418 10.147 ( -2.835 0.000 -0.586) 2.895 10.405 ( -16.375 0.000 -7.738) 18.111 10.431 ( -7.233 0.000 -2.821) 7.763 10.465 ( -5.896 0.000 -11.412) 12.845 10.601 ( 4.492 0.000 -12.968) 13.724 10.798 ( 3.330 0.000 -12.642) 13.073 10.847 ( 0.910 0.000 -16.954) 16.978 11.070 ( -5.851 0.000 0.580) 5.879 11.158 ( -2.651 0.000 -11.972) 12.262 11.326 ( -3.943 0.000 -5.244) 6.561 11.333 ( 6.648 0.000 -9.937) 11.956 11.581 ( 5.784 0.000 12.319) 13.609 11.759 ( 5.826 0.000 5.961) 8.335 12.191 ( 1.285 0.000 25.434) 25.467 13.097 ( -14.814 0.000 0.851) 14.838 16.532 ( 0.998 0.000 0.142) 1.008 16.532 ( 1.987 0.000 0.887) 2.176 16.554 ( 0.009 0.000 -0.176) 0.177 16.559 ( 0.466 0.000 0.833) 0.955 16.608 ( 2.260 0.000 -1.737) 2.850 16.637 ( -0.317 0.000 -0.914) 0.968 16.659 ( 0.742 0.000 0.286) 0.795 16.711 ( 0.183 0.000 -1.243) 1.257 16.765 ( 0.458 0.000 1.440) 1.511 16.804 ( 0.696 0.000 1.377) 1.543 16.904 ( -0.116 0.000 -0.115) 0.164 16.911 ( -0.077 0.000 0.012) 0.078 16.935 ( 1.440 0.000 -0.846) 1.670 16.946 ( -1.185 0.000 1.332) 1.783 16.960 ( -0.220 0.000 0.055) 0.227 16.987 ( -0.581 0.000 -3.153) 3.206 17.047 ( -0.586 0.000 1.285) 1.412 17.108 ( -0.554 0.000 -0.415) 0.692 17.117 ( 0.066 0.000 1.171) 1.173 17.145 ( 0.682 0.000 1.098) 1.293 17.155 ( -0.117 0.000 -0.411) 0.428 17.198 ( -0.361 0.000 -0.156) 0.393 17.207 ( -1.666 0.000 2.081) 2.665 17.245 ( 0.196 0.000 -0.102) 0.221 32.583 ( -0.568 0.000 -1.320) 1.437 32.654 ( -1.739 0.000 -2.850) 3.338 32.671 ( 0.564 0.000 -1.218) 1.342 32.677 ( 0.325 0.000 -1.222) 1.265 32.706 ( -1.658 0.000 0.208) 1.671 32.718 ( -0.436 0.000 0.450) 0.627 32.792 ( -0.982 0.000 0.522) 1.112 32.820 ( -1.240 0.000 -0.763) 1.456 32.827 ( -0.007 0.000 3.995) 3.995 32.927 ( -1.033 0.000 4.241) 4.365 33.034 ( -2.073 0.000 -1.276) 2.434 33.096 ( -1.382 0.000 -0.744) 1.570 51.684 ( 0.390 0.000 2.031) 2.068 51.723 ( -2.774 0.000 3.009) 4.093 51.776 ( 0.267 0.000 -5.726) 5.732 51.780 ( -2.966 0.000 1.441) 3.297 51.913 ( -2.075 0.000 0.583) 2.156 51.970 ( -2.741 0.000 -3.077) 4.121 52.224 ( 0.580 0.000 -5.425) 5.456 52.297 ( -2.575 0.000 -5.858) 6.399 52.706 ( 1.705 0.000 12.515) 12.631 53.035 ( 0.556 0.000 7.954) 7.974 53.419 ( 12.347 0.000 -2.578) 12.614 53.804 ( 9.916 0.000 -15.734) 18.598 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 21.741 0.000 24.881) 33.042 1.780 ( 22.546 0.000 25.690) 34.181 2.380 ( -1.926 0.000 3.515) 4.009 2.491 ( -0.499 0.000 -7.284) 7.301 2.582 ( 13.101 0.000 1.373) 13.172 2.654 ( 5.839 0.000 -1.736) 6.091 2.740 ( -2.234 0.000 5.078) 5.548 2.883 ( 6.961 0.000 -2.162) 7.289 3.104 ( 21.239 0.000 -2.078) 21.340 3.130 ( 16.069 0.000 0.638) 16.081 3.189 ( 14.769 0.000 0.488) 14.777 3.197 ( 23.147 0.000 2.676) 23.301 3.385 ( 12.900 0.000 -3.282) 13.311 3.451 ( 23.399 0.000 -1.321) 23.436 3.525 ( 9.940 0.000 -9.682) 13.876 3.595 ( -1.680 0.000 -6.993) 7.192 3.717 ( 4.080 0.000 -8.629) 9.544 3.820 ( 10.757 0.000 -1.422) 10.851 3.925 ( 10.997 0.000 7.671) 13.408 4.000 ( -3.849 0.000 -11.536) 12.161 4.125 ( -9.609 0.000 2.909) 10.040 4.138 ( -3.943 0.000 5.594) 6.843 4.227 ( -0.212 0.000 0.480) 0.525 4.265 ( -8.392 0.000 -1.330) 8.497 4.439 ( -2.534 0.000 2.263) 3.398 4.547 ( 6.467 0.000 1.656) 6.676 4.662 ( 2.279 0.000 7.691) 8.021 4.678 ( -2.401 0.000 -5.439) 5.945 4.818 ( -2.085 0.000 1.196) 2.404 4.862 ( -4.171 0.000 -12.053) 12.755 4.882 ( 12.861 0.000 6.930) 14.609 4.930 ( 2.065 0.000 8.149) 8.406 5.062 ( -1.327 0.000 3.414) 3.663 5.063 ( 1.052 0.000 2.083) 2.334 5.124 ( 0.545 0.000 4.656) 4.688 5.128 ( 0.435 0.000 -1.541) 1.601 5.209 ( -3.396 0.000 3.557) 4.918 5.239 ( -4.827 0.000 -4.412) 6.540 5.339 ( 4.080 0.000 2.659) 4.870 5.376 ( 0.512 0.000 5.515) 5.539 5.418 ( 7.910 0.000 3.990) 8.859 5.473 ( -1.872 0.000 1.197) 2.222 5.525 ( -0.262 0.000 5.100) 5.107 5.669 ( -7.711 0.000 -0.884) 7.761 5.781 ( -1.077 0.000 -3.189) 3.366 5.820 ( 6.758 0.000 -1.271) 6.877 5.859 ( 2.052 0.000 2.245) 3.041 5.871 ( 1.170 0.000 0.106) 1.175 5.910 ( -3.792 0.000 1.780) 4.189 5.959 ( -6.286 0.000 -1.041) 6.372 6.041 ( 9.275 0.000 -2.566) 9.623 6.076 ( -1.654 0.000 4.644) 4.929 6.113 ( 4.626 0.000 1.533) 4.873 6.171 ( -0.332 0.000 0.856) 0.918 6.336 ( 0.536 0.000 -3.246) 3.290 6.372 ( 0.016 0.000 11.226) 11.226 6.393 ( -1.238 0.000 -0.937) 1.553 6.477 ( -0.829 0.000 4.986) 5.055 6.532 ( 2.906 0.000 -1.170) 3.133 6.533 ( 0.803 0.000 4.807) 4.873 6.728 ( 6.392 0.000 -0.579) 6.418 6.741 ( 3.023 0.000 0.730) 3.110 6.798 ( -2.763 0.000 -6.541) 7.100 6.857 ( 3.691 0.000 -1.808) 4.110 6.920 ( 11.587 0.000 -5.212) 12.705 7.008 ( -8.584 0.000 -7.631) 11.486 7.108 ( -0.396 0.000 2.474) 2.505 7.288 ( -3.336 0.000 0.703) 3.409 7.343 ( -7.662 0.000 3.568) 8.453 7.442 ( 4.670 0.000 -0.438) 4.690 7.457 ( 0.078 0.000 -2.331) 2.333 7.662 ( 4.342 0.000 -2.635) 5.079 7.688 ( 4.985 0.000 0.196) 4.989 7.759 ( -4.403 0.000 -3.048) 5.355 7.778 ( -2.372 0.000 -4.128) 4.761 7.839 ( 1.915 0.000 -5.380) 5.711 7.963 ( -3.954 0.000 -5.126) 6.474 8.042 ( 0.970 0.000 5.817) 5.897 8.133 ( -1.630 0.000 -1.690) 2.348 8.195 ( -6.688 0.000 -5.488) 8.651 8.212 ( 8.444 0.000 1.354) 8.551 8.268 ( 9.121 0.000 12.959) 15.847 8.442 ( 11.568 0.000 15.554) 19.384 8.444 ( -5.946 0.000 -5.213) 7.908 8.702 ( 2.237 0.000 -4.438) 4.970 8.933 ( -0.624 0.000 4.402) 4.446 8.967 ( -1.813 0.000 1.836) 2.581 9.028 ( -1.648 0.000 -4.015) 4.340 9.055 ( -5.333 0.000 3.711) 6.497 9.206 ( -6.970 0.000 4.377) 8.230 9.260 ( -0.723 0.000 6.339) 6.381 9.374 ( -4.298 0.000 -2.609) 5.028 9.460 ( 6.993 0.000 -0.801) 7.038 9.605 ( 2.563 0.000 -3.276) 4.160 9.725 ( -0.877 0.000 6.397) 6.457 9.886 ( -4.880 0.000 1.445) 5.090 9.944 ( -11.252 0.000 6.506) 12.998 9.980 ( 14.571 0.000 -2.278) 14.748 10.071 ( -4.415 0.000 4.082) 6.012 10.168 ( 7.002 0.000 -0.200) 7.005 10.267 ( 10.450 0.000 -2.265) 10.693 10.316 ( 1.529 0.000 -4.393) 4.652 10.417 ( 5.756 0.000 -1.271) 5.895 10.718 ( 6.018 0.000 -16.184) 17.267 10.780 ( -1.946 0.000 -10.706) 10.881 10.883 ( 2.933 0.000 -17.926) 18.165 11.038 ( 2.484 0.000 -1.427) 2.865 11.095 ( -4.504 0.000 -11.674) 12.512 11.210 ( -7.510 0.000 -8.002) 10.975 11.366 ( -2.440 0.000 -13.691) 13.907 11.676 ( 3.779 0.000 13.478) 13.998 11.852 ( 2.769 0.000 6.153) 6.747 12.169 ( -4.483 0.000 20.355) 20.843 12.697 ( -25.486 0.000 7.185) 26.479 16.547 ( 0.442 0.000 -0.171) 0.474 16.554 ( 0.046 0.000 -0.102) 0.112 16.578 ( 1.419 0.000 0.774) 1.616 16.580 ( 2.499 0.000 0.940) 2.670 16.632 ( -0.239 0.000 -0.908) 0.939 16.635 ( 0.692 0.000 -0.504) 0.857 16.674 ( 0.822 0.000 0.850) 1.183 16.713 ( -0.056 0.000 -0.635) 0.637 16.780 ( 1.231 0.000 0.957) 1.560 16.823 ( 1.159 0.000 0.735) 1.372 16.905 ( 0.158 0.000 -0.071) 0.173 16.908 ( -0.159 0.000 0.211) 0.264 16.933 ( -0.193 0.000 1.002) 1.020 16.952 ( -0.360 0.000 0.203) 0.413 16.966 ( 1.190 0.000 -1.458) 1.882 16.970 ( -1.045 0.000 -1.687) 1.985 17.032 ( -0.648 0.000 1.470) 1.606 17.093 ( -1.069 0.000 -0.417) 1.147 17.126 ( 0.627 0.000 -0.072) 0.631 17.151 ( -0.266 0.000 -0.545) 0.606 17.157 ( 0.551 0.000 1.024) 1.163 17.190 ( -0.463 0.000 0.133) 0.482 17.196 ( 0.355 0.000 1.165) 1.218 17.246 ( -0.248 0.000 -0.353) 0.431 32.590 ( 1.058 0.000 -2.547) 2.757 32.618 ( -1.634 0.000 -2.913) 3.340 32.660 ( -2.416 0.000 0.007) 2.416 32.687 ( 0.347 0.000 -0.741) 0.818 32.689 ( 0.887 0.000 -1.127) 1.434 32.702 ( -1.081 0.000 -0.378) 1.145 32.770 ( -1.176 0.000 0.411) 1.246 32.792 ( -1.551 0.000 -0.760) 1.728 32.832 ( 0.543 0.000 3.356) 3.399 32.902 ( -1.417 0.000 4.008) 4.252 32.991 ( -1.841 0.000 -0.758) 1.991 33.058 ( -2.421 0.000 -0.503) 2.473 51.610 ( -6.709 0.000 -0.283) 6.715 51.667 ( -5.659 0.000 1.705) 5.911 51.698 ( -1.745 0.000 2.860) 3.350 51.737 ( -1.388 0.000 6.263) 6.415 51.946 ( 4.080 0.000 -9.626) 10.455 51.977 ( 2.604 0.000 -3.794) 4.602 52.213 ( -1.904 0.000 -10.959) 11.123 52.234 ( -3.817 0.000 -5.380) 6.597 52.770 ( 4.810 0.000 16.811) 17.486 53.037 ( -1.073 0.000 11.778) 11.827 53.673 ( 12.258 0.000 -3.708) 12.807 53.932 ( 3.620 0.000 -11.468) 12.025 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 15.469 0.000 12.519) 19.900 2.084 ( 4.215 0.000 4.754) 6.354 2.370 ( 3.541 0.000 15.394) 15.796 2.467 ( -2.971 0.000 1.374) 3.274 2.689 ( -1.478 0.000 3.065) 3.402 2.701 ( -0.529 0.000 -2.590) 2.644 2.831 ( 10.189 0.000 3.318) 10.716 2.952 ( -1.049 0.000 -0.394) 1.121 3.211 ( 8.770 0.000 -0.405) 8.779 3.424 ( 7.402 0.000 -3.499) 8.187 3.442 ( -11.409 0.000 -4.751) 12.359 3.448 ( 4.397 0.000 -7.212) 8.447 3.466 ( 15.238 0.000 -1.658) 15.328 3.639 ( 5.291 0.000 -5.613) 7.714 3.763 ( 1.810 0.000 -8.030) 8.232 3.774 ( 11.082 0.000 -3.117) 11.512 3.830 ( -1.583 0.000 -4.997) 5.242 3.880 ( -8.792 0.000 -8.024) 11.903 3.941 ( -4.459 0.000 -4.993) 6.694 3.967 ( 0.041 0.000 1.383) 1.384 4.112 ( 3.040 0.000 -1.586) 3.429 4.166 ( -4.172 0.000 2.324) 4.776 4.198 ( 18.896 0.000 3.432) 19.205 4.326 ( 15.080 0.000 0.493) 15.088 4.380 ( -2.621 0.000 3.133) 4.084 4.571 ( -8.747 0.000 -4.564) 9.866 4.650 ( 2.641 0.000 5.452) 6.058 4.716 ( 5.422 0.000 5.273) 7.563 4.751 ( -4.723 0.000 0.426) 4.742 4.816 ( -1.875 0.000 -5.501) 5.812 4.954 ( -1.800 0.000 -2.759) 3.294 5.001 ( 4.094 0.000 4.572) 6.137 5.045 ( -11.905 0.000 -3.972) 12.550 5.076 ( -2.042 0.000 0.048) 2.042 5.123 ( 7.925 0.000 5.976) 9.926 5.124 ( 0.124 0.000 2.095) 2.099 5.163 ( 0.739 0.000 3.320) 3.401 5.285 ( 9.973 0.000 10.823) 14.717 5.319 ( -5.685 0.000 10.171) 11.651 5.376 ( 1.342 0.000 3.149) 3.423 5.432 ( -3.627 0.000 4.467) 5.754 5.489 ( -11.492 0.000 5.851) 12.895 5.529 ( 1.386 0.000 4.346) 4.562 5.597 ( -8.632 0.000 -0.032) 8.632 5.677 ( 14.920 0.000 -1.053) 14.957 5.868 ( -2.916 0.000 -4.761) 5.583 5.880 ( -0.007 0.000 1.986) 1.986 5.889 ( 1.646 0.000 -0.656) 1.772 5.946 ( 5.657 0.000 2.300) 6.106 5.973 ( 7.371 0.000 2.649) 7.833 6.054 ( 2.203 0.000 3.470) 4.110 6.073 ( -6.089 0.000 4.129) 7.357 6.127 ( -7.303 0.000 1.633) 7.484 6.153 ( -2.774 0.000 -1.206) 3.025 6.321 ( 3.809 0.000 0.749) 3.882 6.378 ( -0.296 0.000 7.675) 7.680 6.477 ( 0.526 0.000 3.178) 3.221 6.504 ( -2.338 0.000 5.210) 5.710 6.520 ( 8.631 0.000 1.148) 8.707 6.583 ( 2.935 0.000 -1.962) 3.530 6.685 ( -6.887 0.000 -2.403) 7.294 6.708 ( -8.916 0.000 -0.313) 8.921 6.846 ( 4.093 0.000 1.699) 4.431 6.876 ( 0.170 0.000 -0.364) 0.402 6.976 ( 5.633 0.000 0.804) 5.690 7.106 ( -4.893 0.000 -0.399) 4.909 7.153 ( 4.172 0.000 0.241) 4.179 7.210 ( 7.996 0.000 -1.782) 8.192 7.253 ( -4.075 0.000 -1.146) 4.233 7.385 ( -6.541 0.000 -2.609) 7.042 7.592 ( 8.264 0.000 0.677) 8.291 7.695 ( 2.962 0.000 -8.958) 9.435 7.699 ( -4.687 0.000 -2.533) 5.327 7.781 ( 8.520 0.000 -7.089) 11.084 7.830 ( -7.013 0.000 -6.580) 9.617 7.883 ( 9.753 0.000 -1.693) 9.899 7.960 ( 2.905 0.000 -5.267) 6.015 7.989 ( -11.910 0.000 -6.273) 13.461 8.072 ( 2.330 0.000 -4.485) 5.054 8.139 ( 1.565 0.000 -4.242) 4.522 8.245 ( -9.480 0.000 -11.342) 14.783 8.249 ( -1.911 0.000 -4.216) 4.629 8.547 ( 15.959 0.000 11.134) 19.459 8.751 ( 16.063 0.000 6.899) 17.482 8.785 ( 2.934 0.000 3.497) 4.565 8.843 ( -13.167 0.000 5.187) 14.152 8.886 ( -5.167 0.000 5.783) 7.755 8.930 ( -1.339 0.000 -3.385) 3.640 8.976 ( -1.277 0.000 1.464) 1.943 9.050 ( -8.721 0.000 11.668) 14.567 9.355 ( 5.089 0.000 3.985) 6.464 9.384 ( 7.306 0.000 6.030) 9.473 9.561 ( -7.836 0.000 1.406) 7.961 9.583 ( -7.772 0.000 1.056) 7.843 9.646 ( 6.910 0.000 0.169) 6.912 9.761 ( -4.332 0.000 5.487) 6.991 9.796 ( -1.263 0.000 14.781) 14.835 9.890 ( -10.149 0.000 6.931) 12.290 10.151 ( 8.064 0.000 -1.965) 8.300 10.308 ( -6.048 0.000 -4.809) 7.727 10.438 ( 15.909 0.000 -3.348) 16.257 10.550 ( 14.839 0.000 -10.944) 18.438 10.584 ( 1.559 0.000 -5.896) 6.098 10.841 ( 7.125 0.000 -16.238) 17.732 10.851 ( -11.237 0.000 -7.779) 13.667 10.899 ( 11.549 0.000 -15.746) 19.527 11.021 ( 0.490 0.000 -16.650) 16.657 11.100 ( 0.805 0.000 -5.859) 5.915 11.111 ( 2.323 0.000 -3.351) 4.078 11.251 ( -9.844 0.000 -15.755) 18.578 11.784 ( 9.824 0.000 14.935) 17.876 11.882 ( 2.172 0.000 9.114) 9.369 12.022 ( -8.894 0.000 15.590) 17.948 12.165 ( -26.015 0.000 13.621) 29.365 16.552 ( 0.178 0.000 -0.004) 0.179 16.554 ( -0.039 0.000 0.008) 0.040 16.605 ( 1.125 0.000 0.049) 1.126 16.616 ( 0.582 0.000 0.197) 0.614 16.628 ( 0.296 0.000 0.158) 0.336 16.639 ( -0.252 0.000 0.540) 0.596 16.691 ( 0.888 0.000 0.813) 1.204 16.706 ( -0.606 0.000 0.197) 0.638 16.812 ( 1.818 0.000 0.070) 1.820 16.836 ( -0.253 0.000 -0.224) 0.338 16.907 ( 0.101 0.000 0.068) 0.121 16.908 ( 0.066 0.000 -0.072) 0.098 16.934 ( 0.279 0.000 0.613) 0.674 16.942 ( -0.508 0.000 0.464) 0.688 16.956 ( -0.007 0.000 -0.185) 0.185 16.970 ( -0.869 0.000 -0.469) 0.988 17.038 ( 1.262 0.000 0.336) 1.306 17.067 ( -1.506 0.000 -0.380) 1.554 17.137 ( 0.435 0.000 -0.463) 0.636 17.145 ( -0.379 0.000 -0.560) 0.676 17.168 ( 0.611 0.000 0.746) 0.964 17.180 ( -0.559 0.000 0.425) 0.702 17.213 ( 1.156 0.000 0.147) 1.165 17.234 ( -0.906 0.000 -0.361) 0.976 32.600 ( -0.055 0.000 -2.102) 2.102 32.612 ( -0.302 0.000 -1.456) 1.487 32.625 ( 0.509 0.000 -1.640) 1.717 32.661 ( -2.095 0.000 -1.217) 2.423 32.706 ( 0.688 0.000 -0.857) 1.099 32.708 ( 0.773 0.000 -1.226) 1.450 32.751 ( -0.500 0.000 0.084) 0.507 32.762 ( -1.367 0.000 -0.653) 1.515 32.848 ( 1.120 0.000 3.433) 3.611 32.874 ( -1.436 0.000 3.766) 4.030 32.978 ( 0.606 0.000 -0.313) 0.682 33.009 ( -2.343 0.000 -0.271) 2.359 51.523 ( -1.709 0.000 1.636) 2.366 51.549 ( -4.253 0.000 2.500) 4.934 51.699 ( 0.556 0.000 4.515) 4.549 51.715 ( -0.984 0.000 5.529) 5.616 52.033 ( 4.239 0.000 -12.388) 13.094 52.042 ( 3.342 0.000 -5.768) 6.666 52.155 ( -3.438 0.000 -11.769) 12.261 52.156 ( -3.660 0.000 -4.986) 6.185 52.880 ( 5.980 0.000 17.352) 18.353 52.984 ( -4.280 0.000 15.092) 15.687 53.867 ( 7.230 0.000 -5.923) 9.346 53.952 ( -1.592 0.000 -8.500) 8.648 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 25.388 23.976) 34.920 1.010 ( 0.000 20.669 27.649) 34.521 2.145 ( 0.000 26.484 26.144) 37.214 2.244 ( 0.000 9.095 11.456) 14.627 2.368 ( 0.000 7.102 3.535) 7.934 2.480 ( 0.000 1.964 -1.404) 2.414 2.484 ( 0.000 -1.616 -13.161) 13.260 2.594 ( 0.000 1.812 -3.567) 4.000 2.646 ( 0.000 -2.592 -2.371) 3.513 2.704 ( 0.000 -0.065 3.580) 3.581 2.863 ( 0.000 -4.155 -2.249) 4.725 2.897 ( 0.000 4.413 7.292) 8.523 3.087 ( 0.000 -1.994 -4.655) 5.064 3.221 ( 0.000 -2.440 -3.049) 3.905 3.238 ( 0.000 -3.350 -3.216) 4.644 3.381 ( 0.000 -10.287 9.517) 14.014 3.557 ( 0.000 11.916 -4.881) 12.877 3.647 ( 0.000 1.301 -21.011) 21.051 3.755 ( 0.000 -0.099 2.975) 2.977 3.940 ( 0.000 -4.588 2.874) 5.414 3.976 ( 0.000 -6.211 -12.924) 14.339 4.237 ( 0.000 -0.410 -1.077) 1.153 4.309 ( 0.000 -4.891 5.267) 7.188 4.394 ( 0.000 0.431 6.779) 6.792 4.395 ( 0.000 -2.184 3.306) 3.963 4.579 ( 0.000 -1.270 13.789) 13.847 4.643 ( 0.000 6.726 -15.968) 17.327 4.680 ( 0.000 3.585 -12.366) 12.875 4.696 ( 0.000 -3.151 0.545) 3.198 4.765 ( 0.000 -4.069 1.963) 4.518 4.796 ( 0.000 -4.396 -2.540) 5.077 4.845 ( 0.000 -0.312 2.748) 2.766 4.926 ( 0.000 -4.095 -1.708) 4.437 5.025 ( 0.000 -0.977 5.580) 5.665 5.049 ( 0.000 -5.766 -5.661) 8.080 5.113 ( 0.000 0.150 5.092) 5.094 5.156 ( 0.000 -2.667 3.896) 4.721 5.211 ( 0.000 -6.307 -5.355) 8.274 5.294 ( 0.000 4.600 1.154) 4.742 5.410 ( 0.000 -4.169 2.183) 4.706 5.452 ( 0.000 1.016 4.167) 4.289 5.519 ( 0.000 -0.198 2.243) 2.252 5.571 ( 0.000 8.986 -1.960) 9.198 5.619 ( 0.000 1.368 -4.053) 4.278 5.639 ( 0.000 3.437 -3.712) 5.059 5.844 ( 0.000 -0.445 -3.940) 3.965 5.882 ( 0.000 4.685 -5.988) 7.603 5.911 ( 0.000 7.884 4.344) 9.002 5.934 ( 0.000 0.941 7.108) 7.170 5.961 ( 0.000 -2.486 7.551) 7.950 6.037 ( 0.000 14.180 8.052) 16.307 6.048 ( 0.000 2.194 -2.302) 3.180 6.196 ( 0.000 0.175 -2.491) 2.497 6.219 ( 0.000 5.816 7.620) 9.586 6.292 ( 0.000 5.903 5.023) 7.751 6.403 ( 0.000 -0.422 2.869) 2.900 6.429 ( 0.000 -0.363 0.192) 0.411 6.491 ( 0.000 -1.634 -3.592) 3.947 6.602 ( 0.000 0.103 -1.614) 1.618 6.611 ( 0.000 -5.103 2.469) 5.668 6.687 ( 0.000 4.190 -4.664) 6.270 6.709 ( 0.000 0.325 -0.673) 0.747 6.755 ( 0.000 -1.859 -0.994) 2.108 6.767 ( 0.000 -2.274 -4.715) 5.235 6.819 ( 0.000 1.294 -3.954) 4.160 6.987 ( 0.000 -14.980 -4.832) 15.740 7.292 ( 0.000 -2.742 -0.195) 2.749 7.297 ( 0.000 -4.207 -1.106) 4.350 7.351 ( 0.000 3.980 -2.436) 4.667 7.486 ( 0.000 1.052 -6.105) 6.195 7.516 ( 0.000 -0.501 -4.196) 4.226 7.643 ( 0.000 0.488 1.850) 1.913 7.719 ( 0.000 -6.302 14.508) 15.817 7.767 ( 0.000 -3.252 -6.673) 7.423 7.790 ( 0.000 6.251 4.636) 7.783 7.906 ( 0.000 1.767 0.135) 1.772 7.918 ( 0.000 3.035 1.900) 3.581 8.012 ( 0.000 0.773 7.869) 7.907 8.060 ( 0.000 -3.922 -0.210) 3.927 8.072 ( 0.000 -1.866 2.205) 2.889 8.158 ( 0.000 -5.305 10.479) 11.745 8.194 ( 0.000 -3.403 4.846) 5.922 8.277 ( 0.000 3.627 -8.772) 9.492 8.708 ( 0.000 -13.596 10.405) 17.120 8.767 ( 0.000 -9.175 1.025) 9.232 8.829 ( 0.000 -2.404 -9.183) 9.492 8.907 ( 0.000 6.801 13.770) 15.358 8.920 ( 0.000 2.094 -4.476) 4.942 8.980 ( 0.000 -2.994 18.496) 18.737 9.188 ( 0.000 1.812 -1.249) 2.201 9.259 ( 0.000 2.696 -4.219) 5.007 9.386 ( 0.000 9.632 -6.983) 11.897 9.555 ( 0.000 -7.920 11.531) 13.989 9.557 ( 0.000 6.896 1.566) 7.072 9.647 ( 0.000 8.645 0.321) 8.651 9.739 ( 0.000 -0.889 3.448) 3.561 9.810 ( 0.000 1.808 3.797) 4.206 9.936 ( 0.000 -4.942 -0.540) 4.971 10.071 ( 0.000 13.742 15.285) 20.554 10.103 ( 0.000 -5.530 -5.756) 7.982 10.316 ( 0.000 -11.355 -11.765) 16.351 10.403 ( 0.000 -10.475 -11.846) 15.813 10.659 ( 0.000 -1.357 -13.858) 13.925 10.688 ( 0.000 2.830 -6.992) 7.543 10.861 ( 0.000 8.800 -5.467) 10.360 10.969 ( 0.000 7.222 -9.601) 12.014 11.108 ( 0.000 -2.369 -2.573) 3.497 11.210 ( 0.000 -0.796 -4.304) 4.377 11.273 ( 0.000 5.380 -3.497) 6.417 11.382 ( 0.000 -5.071 5.563) 7.527 11.548 ( 0.000 6.363 -0.595) 6.390 11.854 ( 0.000 14.874 -4.217) 15.460 12.008 ( 0.000 -15.103 22.941) 27.467 12.868 ( 0.000 -25.524 -7.490) 26.601 16.513 ( 0.000 0.102 0.824) 0.831 16.519 ( 0.000 -0.038 0.507) 0.508 16.566 ( 0.000 0.776 -0.279) 0.825 16.568 ( 0.000 0.121 -0.375) 0.394 16.577 ( 0.000 1.523 -0.231) 1.540 16.645 ( 0.000 0.031 -1.232) 1.233 16.646 ( 0.000 -0.051 0.138) 0.147 16.696 ( 0.000 -1.321 -1.170) 1.765 16.763 ( 0.000 0.244 1.516) 1.536 16.792 ( 0.000 -0.508 1.506) 1.589 16.913 ( 0.000 0.196 0.095) 0.218 16.915 ( 0.000 0.114 0.162) 0.198 16.919 ( 0.000 0.681 -0.034) 0.681 16.959 ( 0.000 -0.397 -0.048) 0.400 16.963 ( 0.000 -0.157 -1.199) 1.209 16.985 ( 0.000 -0.568 -3.716) 3.760 17.057 ( 0.000 0.419 1.056) 1.136 17.104 ( 0.000 -1.706 1.690) 2.401 17.118 ( 0.000 0.268 -0.421) 0.499 17.132 ( 0.000 0.214 2.318) 2.328 17.152 ( 0.000 -0.329 -0.275) 0.429 17.189 ( 0.000 -2.312 2.227) 3.210 17.207 ( 0.000 0.320 -0.223) 0.390 17.238 ( 0.000 -0.437 -0.106) 0.450 32.605 ( 0.000 0.283 -0.175) 0.333 32.673 ( 0.000 0.470 -1.677) 1.741 32.678 ( 0.000 -1.530 -1.414) 2.083 32.692 ( 0.000 0.802 -0.663) 1.041 32.722 ( 0.000 1.780 -0.561) 1.866 32.726 ( 0.000 0.378 0.928) 1.002 32.824 ( 0.000 1.826 0.881) 2.027 32.827 ( 0.000 0.819 4.265) 4.343 32.873 ( 0.000 2.446 0.127) 2.450 32.945 ( 0.000 1.026 3.661) 3.802 33.037 ( 0.000 -2.040 -0.899) 2.229 33.094 ( 0.000 -1.579 -0.750) 1.748 51.695 ( 0.000 2.198 1.265) 2.536 51.776 ( 0.000 3.773 5.919) 7.020 51.829 ( 0.000 9.592 4.824) 10.737 51.833 ( 0.000 -1.256 -1.973) 2.339 52.009 ( 0.000 2.990 1.428) 3.314 52.060 ( 0.000 1.366 0.433) 1.433 52.196 ( 0.000 -1.517 -2.043) 2.545 52.396 ( 0.000 5.179 -6.152) 8.042 52.632 ( 0.000 -4.743 10.390) 11.422 53.180 ( 0.000 -9.624 -2.562) 9.960 53.205 ( 0.000 11.158 -16.351) 19.795 53.596 ( 0.000 -3.004 -12.537) 12.892 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 17.989 21.158 15.336) 31.725 1.693 ( 39.870 19.241 17.888) 47.747 2.306 ( 14.791 17.245 19.212) 29.753 2.442 ( 12.752 2.846 6.606) 14.641 2.452 ( 1.236 3.392 -5.741) 6.781 2.525 ( 12.963 0.720 -5.161) 13.971 2.563 ( 8.305 1.192 -7.285) 11.111 2.620 ( 8.415 5.335 6.849) 12.090 2.711 ( 7.172 -0.755 -1.715) 7.413 2.856 ( 6.046 3.010 4.965) 8.382 2.905 ( 9.833 -5.308 -3.525) 11.717 3.032 ( 13.992 3.570 5.417) 15.423 3.138 ( 5.974 -2.795 -4.136) 7.785 3.214 ( 1.897 -1.768 -3.392) 4.270 3.382 ( 11.682 -6.952 -4.425) 14.296 3.406 ( 3.406 -8.594 7.184) 11.707 3.610 ( 5.267 11.447 -1.130) 12.652 3.681 ( 2.434 1.840 -15.193) 15.496 3.761 ( 2.257 -2.437 2.557) 4.192 3.981 ( 3.025 -6.978 -7.271) 10.522 4.058 ( 2.578 -4.814 1.596) 5.689 4.207 ( -2.115 -7.155 -1.419) 7.595 4.299 ( -1.688 -1.671 5.311) 5.818 4.321 ( -0.970 -0.465 -1.548) 1.885 4.480 ( 2.164 1.988 6.705) 7.321 4.529 ( -2.190 1.942 -7.975) 8.496 4.616 ( -3.707 -2.934 0.577) 4.763 4.650 ( 1.634 1.092 4.913) 5.291 4.726 ( 1.020 2.816 -2.023) 3.614 4.791 ( 2.285 -2.249 -0.943) 3.342 4.865 ( 1.290 -0.688 4.138) 4.389 4.920 ( 7.622 2.293 -8.703) 11.794 4.944 ( 1.111 -5.731 -2.157) 6.223 5.005 ( -1.455 -2.941 5.446) 6.358 5.076 ( -2.214 -1.081 5.120) 5.682 5.116 ( 5.800 -5.170 3.565) 8.549 5.226 ( 2.920 -10.080 -1.699) 10.631 5.257 ( 0.539 0.847 -0.955) 1.385 5.346 ( 6.831 5.269 -2.861) 9.089 5.401 ( 0.355 0.932 2.110) 2.334 5.451 ( -2.919 7.119 -1.684) 7.876 5.505 ( 3.346 -0.790 2.945) 4.527 5.564 ( -2.889 3.724 -1.401) 4.917 5.640 ( 3.358 -0.237 -2.981) 4.496 5.700 ( 6.072 -0.201 -4.679) 7.668 5.803 ( -0.308 3.765 1.967) 4.260 5.841 ( -0.086 2.268 2.635) 3.478 5.893 ( -0.900 1.407 2.821) 3.278 5.933 ( -1.371 4.670 0.932) 4.955 6.004 ( 1.330 3.327 1.670) 3.953 6.044 ( 0.583 1.173 0.986) 1.639 6.050 ( 0.006 8.854 4.975) 10.156 6.159 ( -1.961 -0.159 -0.613) 2.061 6.259 ( 2.207 1.370 1.162) 2.845 6.271 ( -5.028 5.100 4.615) 8.520 6.395 ( 1.041 -1.849 2.959) 3.641 6.474 ( 2.852 1.549 -0.563) 3.294 6.513 ( 0.634 1.930 0.390) 2.068 6.546 ( -4.078 1.629 -1.167) 4.544 6.608 ( -4.396 1.771 3.702) 6.014 6.653 ( 1.013 1.374 2.900) 3.365 6.703 ( 0.897 -0.762 -2.793) 3.031 6.770 ( 5.146 1.002 -3.572) 6.344 6.794 ( 2.808 -0.960 -1.665) 3.403 6.826 ( 1.672 1.959 -8.496) 8.878 6.955 ( -3.631 -13.653 -5.689) 15.230 7.257 ( -7.211 0.811 2.840) 7.793 7.323 ( 0.034 -0.868 -1.612) 1.831 7.370 ( 3.024 1.620 -2.492) 4.240 7.394 ( 1.472 3.281 1.019) 3.738 7.506 ( -6.081 -2.510 3.342) 7.379 7.556 ( 2.109 -0.071 -0.348) 2.139 7.731 ( -2.119 3.496 4.245) 5.894 7.798 ( -0.008 -3.257 0.548) 3.302 7.850 ( -0.270 0.246 -3.116) 3.137 7.913 ( -1.223 3.723 -2.368) 4.579 7.935 ( -0.109 -3.532 2.860) 4.546 7.982 ( 0.795 -7.794 3.241) 8.479 8.055 ( 0.650 -0.728 5.026) 5.119 8.113 ( 4.115 1.707 -1.055) 4.579 8.159 ( 4.531 0.068 4.213) 6.187 8.215 ( -4.097 1.286 -5.207) 6.749 8.246 ( 4.007 -5.236 11.201) 12.997 8.552 ( -7.163 1.451 6.697) 9.912 8.807 ( -1.165 -4.286 -6.167) 7.600 8.847 ( -0.854 -3.224 4.295) 5.438 8.920 ( 2.463 -7.695 5.132) 9.572 9.009 ( 1.671 1.103 10.207) 10.402 9.114 ( -0.478 1.457 5.934) 6.129 9.243 ( 14.437 -2.536 -4.637) 15.374 9.257 ( 0.984 -4.284 -4.863) 6.555 9.361 ( -4.016 0.659 3.466) 5.346 9.482 ( 0.694 10.826 -2.686) 11.176 9.632 ( -0.125 7.342 -0.721) 7.378 9.689 ( 5.197 1.245 -0.034) 5.344 9.786 ( -1.303 3.004 1.370) 3.549 9.853 ( 9.233 -0.667 2.224) 9.521 9.938 ( 1.509 -3.630 1.258) 4.127 10.076 ( 1.316 8.764 7.344) 11.509 10.094 ( -0.564 -2.668 1.949) 3.352 10.236 ( -8.404 -11.351 -9.523) 17.034 10.357 ( -3.964 -5.909 -8.233) 10.882 10.607 ( -4.649 2.723 -10.956) 12.209 10.648 ( -2.438 1.152 -2.088) 3.410 10.798 ( -4.324 5.212 -8.995) 11.259 10.854 ( -7.033 0.699 -9.982) 12.231 11.046 ( -3.420 -0.055 -0.344) 3.437 11.192 ( -2.114 -3.327 -8.861) 9.698 11.275 ( -0.832 5.271 -3.801) 6.551 11.429 ( 2.529 -3.382 1.861) 4.615 11.585 ( 3.262 2.474 4.234) 5.890 11.904 ( 3.941 13.359 -3.036) 14.255 12.048 ( 2.872 -13.324 20.640) 24.734 12.856 ( -5.652 -19.354 -6.600) 21.215 16.532 ( 1.741 0.068 0.706) 1.880 16.534 ( 1.427 0.101 0.400) 1.486 16.557 ( 0.108 0.534 0.069) 0.549 16.577 ( 0.083 1.516 0.278) 1.544 16.601 ( 1.779 -0.621 -1.073) 2.168 16.640 ( -0.134 0.255 -0.832) 0.881 16.655 ( 0.496 -0.335 0.137) 0.614 16.697 ( 0.140 -1.362 -1.003) 1.697 16.767 ( 0.483 0.268 1.390) 1.496 16.798 ( 0.687 -0.524 1.331) 1.587 16.905 ( -0.247 0.135 0.242) 0.371 16.916 ( -0.203 0.384 0.050) 0.437 16.926 ( 0.189 -0.317 0.623) 0.724 16.955 ( -0.321 -0.305 -0.143) 0.466 16.959 ( 0.282 0.507 -1.510) 1.618 16.984 ( -0.361 -0.285 -3.064) 3.098 17.052 ( -0.519 0.493 1.359) 1.536 17.108 ( 0.345 -0.940 0.790) 1.275 17.114 ( -0.309 0.397 -0.313) 0.592 17.141 ( 0.635 -0.178 1.492) 1.631 17.152 ( 0.008 -0.233 -0.149) 0.277 17.186 ( -0.102 -1.324 1.889) 2.309 17.203 ( -0.329 0.439 -0.153) 0.570 17.240 ( 0.155 -0.495 -0.201) 0.556 32.575 ( -1.960 -0.217 -0.327) 1.998 32.653 ( -1.945 -0.871 -2.127) 3.011 32.671 ( -1.068 -1.175 -0.818) 1.786 32.693 ( -0.036 0.440 -0.430) 0.617 32.707 ( -0.799 2.234 -0.805) 2.506 32.716 ( -0.472 0.288 0.091) 0.560 32.813 ( -0.811 1.859 1.767) 2.690 32.829 ( 0.004 0.660 3.384) 3.448 32.860 ( -1.200 2.508 -0.169) 2.786 32.934 ( -1.068 1.024 3.567) 3.862 33.014 ( -2.123 -2.081 -0.697) 3.054 33.081 ( -1.320 -1.517 -0.613) 2.103 51.697 ( 0.144 -0.841 -1.085) 1.381 51.746 ( -3.019 1.463 2.423) 4.138 51.765 ( -5.183 1.602 -0.006) 5.425 51.822 ( -1.547 7.275 4.105) 8.495 51.938 ( -6.556 3.318 1.959) 7.604 52.032 ( -0.405 0.448 0.665) 0.899 52.149 ( -3.955 -3.859 -3.053) 6.313 52.402 ( -0.497 4.210 -6.253) 7.554 52.678 ( 5.044 -0.351 11.680) 12.728 53.180 ( -0.542 11.784 -5.846) 13.166 53.324 ( 12.341 -9.289 -2.652) 15.672 53.738 ( 9.049 -6.074 -14.580) 18.204 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 21.130 11.813 6.925) 25.179 2.132 ( 10.577 20.422 14.675) 27.281 2.440 ( 0.763 5.452 5.610) 7.860 2.502 ( 2.201 3.437 -4.755) 6.267 2.537 ( 2.937 -3.010 -7.052) 8.211 2.663 ( 6.039 1.145 0.425) 6.161 2.832 ( 4.882 2.354 1.830) 5.720 2.862 ( 7.932 -1.608 0.344) 8.100 3.010 ( 18.891 -2.796 -1.016) 19.124 3.098 ( 7.745 -6.983 -7.592) 12.899 3.233 ( 21.022 1.733 -2.186) 21.206 3.272 ( 11.973 6.533 0.566) 13.651 3.343 ( 16.251 -1.247 -3.460) 16.662 3.448 ( 24.292 1.807 7.427) 25.467 3.522 ( 11.229 -2.976 -1.623) 11.730 3.600 ( 8.449 -11.621 -2.893) 14.657 3.694 ( 1.925 4.999 -1.453) 5.550 3.759 ( 5.013 2.891 -8.737) 10.480 3.866 ( 6.718 -3.734 3.013) 8.255 3.928 ( -8.354 -8.835 1.617) 12.266 4.071 ( 5.544 -1.177 -0.573) 5.696 4.195 ( -3.802 -0.253 6.994) 7.964 4.253 ( -2.725 3.488 -5.924) 7.395 4.315 ( -5.559 -0.358 -6.361) 8.455 4.453 ( 5.392 0.363 -2.533) 5.968 4.534 ( -2.348 2.005 5.224) 6.068 4.572 ( -2.299 -2.860 0.216) 3.676 4.642 ( 1.082 -3.910 3.616) 5.434 4.808 ( 1.290 0.049 1.412) 1.913 4.823 ( 0.581 -2.880 -0.408) 2.966 4.885 ( 2.742 -2.388 1.081) 3.794 4.948 ( 1.895 2.777 -0.401) 3.385 4.988 ( -0.063 -4.375 1.101) 4.512 5.045 ( 4.986 1.225 8.908) 10.281 5.066 ( 2.498 -3.748 -0.710) 4.560 5.159 ( -5.541 -0.241 2.077) 5.922 5.269 ( 4.204 -3.540 -1.848) 5.798 5.279 ( 4.732 0.254 3.263) 5.754 5.348 ( -4.766 8.879 -3.523) 10.675 5.417 ( -4.257 4.027 4.601) 7.450 5.484 ( 4.558 4.024 3.274) 6.905 5.491 ( 0.551 0.353 4.263) 4.313 5.552 ( 0.768 1.984 -0.674) 2.231 5.701 ( 1.050 -3.726 -1.930) 4.325 5.748 ( -1.151 0.513 -4.091) 4.281 5.795 ( -3.704 -2.686 -1.371) 4.777 5.846 ( 0.312 0.223 1.296) 1.352 5.890 ( -2.922 4.930 2.341) 6.191 5.952 ( -1.667 -0.728 2.751) 3.298 6.018 ( -2.956 6.301 1.859) 7.204 6.051 ( 3.100 5.702 3.716) 7.479 6.112 ( 8.505 -0.750 0.387) 8.547 6.138 ( -2.352 2.128 -0.293) 3.185 6.163 ( -1.580 -0.021 4.022) 4.322 6.298 ( -0.283 0.142 -2.516) 2.535 6.416 ( 3.378 -2.955 0.814) 4.561 6.441 ( 1.967 5.885 0.126) 6.206 6.498 ( 0.436 5.926 5.117) 7.842 6.538 ( -1.818 -0.579 2.869) 3.445 6.617 ( 2.649 6.360 1.636) 7.081 6.717 ( 4.084 0.649 2.012) 4.599 6.770 ( 4.428 1.671 -0.056) 4.733 6.820 ( -2.859 0.330 -5.672) 6.360 6.876 ( 2.585 1.040 -4.637) 5.410 6.888 ( 2.356 -2.877 -1.072) 3.870 6.946 ( 11.146 0.953 -4.186) 11.944 7.149 ( -2.344 2.516 3.774) 5.106 7.305 ( -1.856 0.698 -0.866) 2.163 7.325 ( -6.759 -2.984 2.852) 7.920 7.441 ( 2.053 0.538 -2.595) 3.352 7.510 ( 4.238 3.042 -1.572) 5.449 7.636 ( 4.711 -1.832 -1.330) 5.227 7.679 ( -0.875 -0.791 -1.537) 1.938 7.745 ( -4.530 1.847 -2.260) 5.389 7.765 ( -3.989 -2.008 -4.675) 6.466 7.879 ( -2.456 -5.107 0.128) 5.668 7.933 ( 2.732 3.839 -7.632) 8.969 8.052 ( -0.606 -2.326 7.756) 8.120 8.073 ( 3.846 -6.983 3.602) 8.749 8.147 ( -3.166 -5.018 -1.957) 6.248 8.156 ( -0.046 -0.143 -2.765) 2.769 8.247 ( -2.751 1.462 -1.579) 3.493 8.401 ( 11.317 0.851 11.789) 16.364 8.536 ( 8.234 2.929 10.475) 13.642 8.734 ( -0.968 1.091 3.089) 3.416 8.840 ( -0.820 -5.214 1.449) 5.474 8.949 ( -2.837 -3.420 -1.576) 4.715 8.976 ( -3.221 -2.272 2.567) 4.704 9.072 ( -1.330 -2.347 10.516) 10.857 9.188 ( -5.858 -1.938 9.310) 11.169 9.298 ( 0.902 3.022 -0.480) 3.190 9.455 ( -1.657 6.751 -8.091) 10.667 9.551 ( 5.315 8.010 -4.456) 10.596 9.652 ( 3.431 5.143 -3.877) 7.298 9.722 ( -4.915 -1.672 -0.140) 5.193 9.785 ( 3.135 -7.496 1.120) 8.202 9.887 ( -3.451 -0.091 -1.992) 3.985 10.020 ( -5.406 0.435 3.865) 6.660 10.062 ( -0.768 -0.837 3.639) 3.812 10.149 ( 12.437 -0.508 -0.354) 12.452 10.248 ( 2.669 -3.584 -8.071) 9.226 10.289 ( 7.443 0.685 -1.777) 7.683 10.542 ( -0.661 6.298 1.028) 6.415 10.667 ( 5.478 -1.710 -2.641) 6.318 10.701 ( -4.987 -7.799 -12.256) 15.360 10.821 ( 5.419 -3.968 -12.783) 14.441 11.035 ( 1.502 3.269 -1.003) 3.735 11.118 ( -5.407 -4.798 -11.712) 13.763 11.252 ( -1.300 9.234 -4.990) 10.576 11.424 ( -2.563 -0.594 -3.528) 4.401 11.650 ( 2.674 -1.280 9.603) 10.050 11.944 ( -0.838 8.638 -1.345) 8.782 12.060 ( -2.654 -10.230 16.136) 19.289 12.584 ( -21.394 -10.385 -0.335) 23.783 16.554 ( 0.627 0.773 -0.163) 1.008 16.566 ( 0.515 0.929 -0.141) 1.072 16.577 ( 1.951 -0.050 0.627) 2.050 16.587 ( 1.417 0.728 1.021) 1.892 16.625 ( 0.560 -0.583 -0.793) 1.133 16.640 ( 0.133 0.288 -0.354) 0.475 16.665 ( 0.594 -0.799 0.866) 1.320 16.699 ( -0.056 -1.406 -0.457) 1.479 16.783 ( 1.249 0.317 0.913) 1.579 16.818 ( 1.207 -0.524 0.718) 1.499 16.903 ( -0.044 -0.108 0.445) 0.460 16.911 ( -0.199 0.146 0.018) 0.248 16.926 ( 0.030 -0.331 0.501) 0.601 16.947 ( -0.528 -0.515 0.109) 0.746 16.968 ( -0.707 -0.006 -1.885) 2.013 16.974 ( 0.193 0.226 -1.757) 1.782 17.042 ( -0.185 1.016 1.409) 1.747 17.100 ( -0.837 0.699 -0.463) 1.185 17.121 ( 0.636 -0.660 -0.117) 0.924 17.147 ( -0.134 -0.395 -0.420) 0.592 17.158 ( 0.629 0.174 1.096) 1.276 17.190 ( 0.632 -0.519 1.090) 1.363 17.195 ( -0.462 0.530 0.059) 0.706 17.240 ( -0.253 -0.555 -0.348) 0.702 32.557 ( 0.082 -2.064 -1.551) 2.583 32.612 ( -1.889 -2.125 -1.521) 3.224 32.626 ( -2.632 -0.824 -1.788) 3.287 32.682 ( -1.422 -1.100 -1.536) 2.365 32.710 ( 0.738 1.407 -0.080) 1.591 32.719 ( 0.813 1.999 -0.674) 2.261 32.794 ( -1.042 2.139 1.294) 2.709 32.827 ( -1.107 1.306 1.489) 2.269 32.836 ( -0.165 1.509 1.579) 2.190 32.907 ( -1.509 0.892 3.543) 3.953 32.971 ( -1.710 -1.980 -0.189) 2.623 33.044 ( -2.350 -1.375 -0.323) 2.742 51.613 ( -6.573 0.161 -0.454) 6.590 51.658 ( -6.095 0.132 -0.724) 6.140 51.739 ( 1.583 -1.311 -0.906) 2.246 51.789 ( -0.780 4.060 2.973) 5.092 51.848 ( -2.146 4.773 4.896) 7.166 52.009 ( -3.578 -7.051 -5.911) 9.872 52.111 ( 1.672 -0.088 -0.223) 1.689 52.360 ( -3.555 1.787 -4.992) 6.384 52.815 ( 8.248 6.570 11.793) 15.820 53.167 ( -1.626 12.082 2.320) 12.410 53.580 ( 12.482 -9.332 -3.527) 15.978 53.862 ( 3.508 -6.913 -11.292) 13.697 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 16.521 5.464 1.055) 17.433 2.166 ( -6.304 5.350 -1.752) 8.452 2.463 ( 1.247 3.193 0.922) 3.550 2.497 ( -2.020 1.049 -2.649) 3.492 2.648 ( 8.296 6.419 4.974) 11.609 2.760 ( -0.181 4.187 3.989) 5.786 2.884 ( 4.080 1.862 8.192) 9.339 2.953 ( 0.204 0.043 2.838) 2.846 3.200 ( 4.787 -10.111 -11.892) 16.327 3.243 ( 3.795 -9.966 -10.553) 15.003 3.473 ( 6.244 5.739 -0.533) 8.498 3.502 ( 11.624 2.786 -0.501) 11.964 3.574 ( -1.734 3.846 -2.438) 4.873 3.588 ( 4.376 -0.716 -1.502) 4.681 3.698 ( 4.196 -5.749 -9.772) 12.089 3.749 ( 4.370 -2.994 0.056) 5.298 3.771 ( 0.021 -1.991 -3.465) 3.996 3.840 ( 3.353 -2.629 -4.398) 6.123 3.908 ( -1.349 -2.867 2.575) 4.083 3.999 ( -3.782 -1.777 0.677) 4.233 4.132 ( -0.155 0.965 -1.484) 1.777 4.166 ( -3.947 3.146 -4.265) 6.608 4.218 ( 15.301 3.561 0.854) 15.733 4.328 ( 10.959 -0.953 2.878) 11.371 4.411 ( -4.753 1.361 5.288) 7.240 4.492 ( -5.916 -4.868 3.968) 8.628 4.639 ( 3.585 1.595 -0.403) 3.945 4.680 ( 2.722 -1.283 -5.145) 5.960 4.788 ( -1.025 1.121 1.568) 2.183 4.817 ( -1.216 -0.547 -3.796) 4.023 4.915 ( 2.540 -4.631 0.470) 5.303 4.989 ( 2.123 -6.836 1.837) 7.391 5.024 ( -0.090 -3.355 -1.925) 3.869 5.059 ( -1.225 -0.237 2.510) 2.803 5.114 ( 2.880 1.801 -0.860) 3.504 5.155 ( 0.612 0.967 2.051) 2.349 5.189 ( -6.795 2.910 -0.825) 7.438 5.282 ( -7.367 -1.808 6.506) 9.993 5.316 ( 4.940 4.482 7.273) 9.868 5.420 ( 0.019 4.339 3.320) 5.464 5.459 ( -0.915 2.101 4.075) 4.675 5.528 ( -6.718 2.143 4.780) 8.519 5.598 ( -1.988 4.120 5.162) 6.897 5.615 ( 2.009 1.828 5.586) 6.212 5.726 ( 7.056 6.408 -1.469) 9.644 5.818 ( 4.005 -3.281 -1.588) 5.416 5.858 ( 0.256 -1.255 -1.705) 2.132 5.891 ( -1.966 1.466 -1.843) 3.068 5.964 ( 5.475 0.964 4.788) 7.336 5.979 ( 0.625 0.465 4.907) 4.968 6.055 ( -3.736 0.251 2.803) 4.677 6.111 ( -3.687 -1.352 2.479) 4.644 6.135 ( 0.978 1.316 -0.913) 1.876 6.167 ( -1.742 -0.186 2.028) 2.680 6.266 ( 1.669 -2.706 -0.638) 3.243 6.403 ( -9.250 -6.889 2.004) 11.706 6.471 ( 2.533 5.308 2.824) 6.524 6.501 ( -0.466 8.243 5.581) 9.965 6.608 ( 6.949 6.663 1.355) 9.722 6.671 ( 4.018 7.222 1.940) 8.489 6.714 ( -3.841 3.607 2.189) 5.705 6.768 ( -4.428 4.126 -0.623) 6.085 6.854 ( 3.194 0.970 2.151) 3.971 6.872 ( 0.421 0.266 1.371) 1.459 7.005 ( 7.052 2.672 1.567) 7.702 7.134 ( -1.741 -0.315 1.197) 2.136 7.157 ( 2.011 1.895 0.174) 2.768 7.225 ( 2.239 0.320 0.346) 2.288 7.274 ( 0.703 2.496 -2.317) 3.477 7.412 ( -5.848 1.708 -3.018) 6.799 7.608 ( 5.283 0.735 0.020) 5.334 7.662 ( 3.679 -3.179 -10.181) 11.283 7.685 ( -3.644 -1.473 -3.514) 5.273 7.768 ( 3.531 -2.587 -4.101) 5.998 7.788 ( 3.212 -1.868 -5.306) 6.478 7.832 ( 4.918 -4.196 -1.553) 6.649 7.960 ( -5.959 -1.968 -4.521) 7.734 8.000 ( -10.265 -0.334 -3.983) 11.016 8.041 ( 3.173 -2.480 -4.901) 6.343 8.112 ( -1.199 -6.034 -3.152) 6.912 8.143 ( 0.787 -2.459 -8.137) 8.537 8.179 ( -2.683 -2.754 -0.507) 3.878 8.605 ( 8.953 1.421 4.771) 10.244 8.743 ( 1.698 -4.352 9.586) 10.664 8.766 ( 3.024 -1.517 7.247) 7.998 8.826 ( 5.555 2.823 3.497) 7.145 8.856 ( -5.010 -2.911 4.445) 7.303 8.961 ( 2.635 3.018 1.150) 4.168 9.008 ( -4.665 0.320 12.474) 13.321 9.078 ( -6.089 2.092 7.340) 9.763 9.352 ( 4.463 0.535 1.196) 4.651 9.454 ( 4.630 6.917 0.534) 8.340 9.516 ( -11.054 -2.624 -0.426) 11.369 9.595 ( -7.439 3.317 -0.334) 8.152 9.687 ( 5.964 5.467 -1.666) 8.260 9.797 ( -4.617 1.825 -0.880) 5.042 9.857 ( 3.083 1.415 1.734) 3.809 9.933 ( -5.047 1.408 4.112) 6.661 10.113 ( 6.528 -1.964 3.645) 7.730 10.249 ( -4.621 -5.283 -3.461) 7.825 10.326 ( 8.251 -6.877 -2.668) 11.068 10.431 ( -0.321 -8.937 -7.473) 11.655 10.623 ( 9.344 0.683 -5.988) 11.119 10.698 ( 2.693 -6.149 -10.440) 12.412 10.876 ( 8.820 -0.223 -1.016) 8.881 10.983 ( -5.711 -0.047 -13.017) 14.214 11.001 ( 9.835 -0.705 -9.429) 13.643 11.071 ( 1.706 5.455 -6.783) 8.870 11.242 ( 1.755 8.628 -7.065) 11.289 11.346 ( -5.842 4.182 -7.444) 10.346 11.731 ( 8.506 -4.249 11.292) 14.762 11.889 ( -2.877 0.822 3.272) 4.434 11.956 ( -6.071 -6.338 11.786) 14.694 12.100 ( -24.668 -5.850 7.702) 26.497 16.563 ( 0.353 1.102 -0.037) 1.158 16.568 ( -0.129 1.296 -0.084) 1.306 16.606 ( 1.147 0.073 0.043) 1.150 16.617 ( 0.550 0.112 0.286) 0.630 16.628 ( 0.398 -0.049 0.139) 0.425 16.640 ( -0.312 0.086 0.575) 0.659 16.679 ( 0.821 -1.183 0.908) 1.702 16.693 ( -0.553 -1.335 0.310) 1.478 16.814 ( 1.702 0.243 0.066) 1.721 16.834 ( 0.040 -0.214 -0.175) 0.279 16.904 ( 0.204 -0.207 0.271) 0.397 16.908 ( -0.137 -0.071 -0.022) 0.156 16.928 ( 0.224 -0.398 0.299) 0.546 16.936 ( -0.523 -0.524 0.258) 0.784 16.954 ( -0.171 -0.206 -0.326) 0.422 16.966 ( -1.006 -0.421 -0.495) 1.197 17.054 ( 1.212 1.425 0.131) 1.875 17.080 ( -1.276 1.119 -0.456) 1.758 17.132 ( 0.502 -0.574 -0.409) 0.865 17.141 ( -0.407 -0.426 -0.538) 0.798 17.171 ( 0.720 0.383 0.709) 1.081 17.185 ( -0.613 0.505 0.338) 0.863 17.209 ( 1.124 -0.410 0.226) 1.217 17.229 ( -0.855 -0.513 -0.280) 1.036 32.563 ( 0.265 -2.485 -1.644) 2.991 32.578 ( -1.477 -2.593 -1.080) 3.173 32.607 ( 1.040 -1.350 -2.926) 3.386 32.644 ( -2.241 -1.760 -2.409) 3.731 32.728 ( 1.003 1.532 0.117) 1.834 32.736 ( 0.546 2.088 -0.516) 2.219 32.777 ( -0.315 2.196 0.534) 2.281 32.794 ( -1.660 2.365 -0.397) 2.917 32.850 ( 1.149 0.372 3.515) 3.717 32.877 ( -1.570 0.571 3.656) 4.019 32.962 ( 0.835 -1.506 0.094) 1.725 32.996 ( -2.365 -1.288 -0.015) 2.693 51.528 ( -1.717 0.829 0.392) 1.947 51.550 ( -3.856 0.810 0.505) 3.973 51.769 ( 1.104 4.412 3.881) 5.979 51.786 ( -0.468 4.739 3.685) 6.021 51.848 ( 2.451 -5.321 -3.301) 6.724 51.922 ( -4.578 -9.879 -7.267) 13.090 52.181 ( 4.602 1.159 -1.189) 4.893 52.275 ( -4.846 1.083 -3.089) 5.848 52.976 ( 7.709 10.203 10.178) 16.344 53.102 ( -5.045 11.663 7.152) 14.582 53.781 ( 7.720 -8.685 -5.628) 12.911 53.876 ( -2.075 -7.688 -8.268) 11.479 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 23.855 14.978) 28.168 1.690 ( 0.000 38.762 -7.247) 39.433 1.892 ( 0.000 -19.204 4.845) 19.806 2.323 ( 0.000 -21.050 -12.747) 24.608 2.506 ( 0.000 4.243 -1.701) 4.571 2.532 ( 0.000 1.927 -10.333) 10.511 2.566 ( 0.000 0.576 1.531) 1.636 2.584 ( 0.000 -1.060 -9.927) 9.983 2.667 ( 0.000 2.228 2.158) 3.102 2.709 ( 0.000 -5.743 -1.158) 5.858 2.843 ( 0.000 7.391 2.385) 7.767 3.021 ( 0.000 -10.258 2.087) 10.468 3.141 ( 0.000 -0.322 -2.570) 2.590 3.160 ( 0.000 6.486 9.310) 11.347 3.246 ( 0.000 17.453 11.831) 21.085 3.366 ( 0.000 6.292 10.985) 12.660 3.632 ( 0.000 -3.039 -10.572) 11.000 3.633 ( 0.000 -0.250 10.537) 10.540 3.782 ( 0.000 -5.284 -18.253) 19.002 3.825 ( 0.000 -5.756 1.311) 5.904 3.954 ( 0.000 12.971 -0.659) 12.987 4.166 ( 0.000 -8.497 2.713) 8.919 4.203 ( 0.000 3.429 0.735) 3.507 4.412 ( 0.000 -0.215 4.319) 4.324 4.435 ( 0.000 3.156 0.349) 3.175 4.532 ( 0.000 -15.851 -0.130) 15.851 4.596 ( 0.000 3.657 9.898) 10.552 4.641 ( 0.000 -1.535 0.397) 1.586 4.711 ( 0.000 -5.053 -9.223) 10.517 4.765 ( 0.000 4.611 -5.066) 6.850 4.773 ( 0.000 -10.422 3.359) 10.950 4.842 ( 0.000 -0.406 -5.364) 5.379 4.891 ( 0.000 -1.321 -8.959) 9.056 4.904 ( 0.000 0.500 -8.006) 8.022 4.987 ( 0.000 -2.153 4.373) 4.874 4.998 ( 0.000 -1.168 9.010) 9.085 5.179 ( 0.000 6.343 6.773) 9.279 5.271 ( 0.000 1.081 2.589) 2.806 5.345 ( 0.000 0.068 -0.453) 0.458 5.359 ( 0.000 1.466 -2.470) 2.873 5.451 ( 0.000 -0.417 3.643) 3.667 5.476 ( 0.000 -3.642 0.073) 3.643 5.659 ( 0.000 2.478 -6.433) 6.893 5.681 ( 0.000 0.861 -4.886) 4.961 5.723 ( 0.000 5.268 -4.183) 6.727 5.811 ( 0.000 -4.323 -4.330) 6.119 5.903 ( 0.000 0.714 7.340) 7.374 5.915 ( 0.000 0.126 6.840) 6.841 5.952 ( 0.000 1.789 -0.274) 1.810 5.984 ( 0.000 -0.216 -2.486) 2.495 6.152 ( 0.000 6.479 -10.285) 12.156 6.176 ( 0.000 3.639 -1.361) 3.885 6.275 ( 0.000 4.992 0.138) 4.994 6.324 ( 0.000 -1.335 3.689) 3.923 6.370 ( 0.000 -3.048 0.414) 3.076 6.397 ( 0.000 -5.597 0.218) 5.601 6.483 ( 0.000 4.161 4.306) 5.988 6.504 ( 0.000 -0.122 1.562) 1.567 6.577 ( 0.000 12.534 15.933) 20.272 6.617 ( 0.000 0.669 -0.034) 0.670 6.678 ( 0.000 -4.364 -3.615) 5.667 6.697 ( 0.000 -1.615 -2.264) 2.781 6.735 ( 0.000 1.322 -3.935) 4.151 6.766 ( 0.000 0.495 -5.440) 5.462 6.778 ( 0.000 -4.173 -3.311) 5.327 6.801 ( 0.000 -4.389 -2.089) 4.860 7.252 ( 0.000 0.291 0.211) 0.360 7.255 ( 0.000 -0.637 0.408) 0.756 7.419 ( 0.000 3.354 -4.430) 5.557 7.468 ( 0.000 -1.418 -2.515) 2.887 7.517 ( 0.000 1.912 -2.078) 2.824 7.616 ( 0.000 -5.114 -0.701) 5.162 7.707 ( 0.000 3.972 9.865) 10.635 7.764 ( 0.000 3.223 4.560) 5.584 7.841 ( 0.000 -3.964 3.468) 5.267 7.875 ( 0.000 -2.903 3.303) 4.397 7.934 ( 0.000 0.058 4.494) 4.494 7.972 ( 0.000 -1.743 3.844) 4.221 8.045 ( 0.000 -0.741 3.464) 3.542 8.045 ( 0.000 -0.867 3.358) 3.468 8.129 ( 0.000 4.862 4.098) 6.359 8.221 ( 0.000 4.783 5.779) 7.502 8.281 ( 0.000 -2.810 -3.022) 4.127 8.501 ( 0.000 -16.740 0.768) 16.758 8.587 ( 0.000 3.864 0.195) 3.869 8.727 ( 0.000 -7.798 -6.999) 10.478 8.963 ( 0.000 1.999 3.328) 3.882 8.979 ( 0.000 0.370 9.765) 9.772 9.145 ( 0.000 15.278 16.680) 22.620 9.238 ( 0.000 2.620 0.638) 2.697 9.273 ( 0.000 -0.587 -0.232) 0.631 9.397 ( 0.000 -8.279 19.970) 21.618 9.584 ( 0.000 6.633 -8.055) 10.435 9.614 ( 0.000 1.616 -1.934) 2.520 9.700 ( 0.000 -2.929 -3.287) 4.403 9.749 ( 0.000 -6.470 -6.331) 9.052 9.855 ( 0.000 7.185 -3.546) 8.012 9.975 ( 0.000 -5.111 -6.362) 8.161 10.074 ( 0.000 -4.994 -5.377) 7.339 10.079 ( 0.000 13.568 9.442) 16.531 10.198 ( 0.000 -5.990 -7.408) 9.527 10.317 ( 0.000 2.348 16.456) 16.623 10.645 ( 0.000 0.840 -15.643) 15.666 10.702 ( 0.000 -1.955 -9.170) 9.376 11.022 ( 0.000 1.787 -3.360) 3.806 11.056 ( 0.000 3.025 -3.383) 4.538 11.096 ( 0.000 2.219 0.580) 2.294 11.212 ( 0.000 -9.011 5.323) 10.466 11.213 ( 0.000 7.698 3.979) 8.666 11.367 ( 0.000 0.579 0.935) 1.100 11.561 ( 0.000 -2.303 8.743) 9.041 11.693 ( 0.000 -14.345 11.814) 18.584 12.161 ( 0.000 15.886 -18.191) 24.151 12.467 ( 0.000 -16.901 -23.300) 28.784 16.515 ( 0.000 0.152 0.734) 0.750 16.518 ( 0.000 -0.112 0.622) 0.632 16.571 ( 0.000 0.184 -0.428) 0.466 16.573 ( 0.000 0.024 -0.593) 0.593 16.614 ( 0.000 2.293 -0.021) 2.293 16.645 ( 0.000 -0.068 -0.928) 0.931 16.646 ( 0.000 0.029 -0.392) 0.393 16.660 ( 0.000 -2.193 -0.531) 2.256 16.770 ( 0.000 0.477 1.440) 1.517 16.780 ( 0.000 -0.606 1.435) 1.558 16.917 ( 0.000 0.166 0.672) 0.692 16.917 ( 0.000 0.076 0.515) 0.521 16.934 ( 0.000 0.806 -0.122) 0.815 16.948 ( 0.000 -0.669 -0.203) 0.699 16.963 ( 0.000 0.294 -2.774) 2.789 16.973 ( 0.000 -0.628 -3.343) 3.401 17.066 ( 0.000 0.472 1.366) 1.445 17.078 ( 0.000 -0.919 1.899) 2.110 17.126 ( 0.000 0.521 -0.488) 0.713 17.135 ( 0.000 -0.139 0.545) 0.563 17.148 ( 0.000 0.215 1.002) 1.025 17.161 ( 0.000 -0.958 1.713) 1.963 17.216 ( 0.000 0.577 -0.336) 0.667 17.227 ( 0.000 -0.597 -0.305) 0.671 32.616 ( 0.000 0.893 -0.163) 0.908 32.641 ( 0.000 -1.729 -0.340) 1.762 32.683 ( 0.000 0.524 -1.823) 1.897 32.692 ( 0.000 -0.429 -1.379) 1.444 32.737 ( 0.000 0.722 2.253) 2.366 32.746 ( 0.000 0.091 1.276) 1.280 32.858 ( 0.000 1.519 1.704) 2.283 32.866 ( 0.000 1.714 2.030) 2.657 32.906 ( 0.000 2.318 2.141) 3.156 32.979 ( 0.000 -3.896 0.553) 3.935 32.989 ( 0.000 3.267 0.866) 3.379 33.051 ( 0.000 -2.862 -0.359) 2.885 51.740 ( 0.000 2.516 0.739) 2.622 51.790 ( 0.000 -2.623 -0.308) 2.641 51.872 ( 0.000 5.857 7.563) 9.566 51.981 ( 0.000 -4.826 7.375) 8.814 52.077 ( 0.000 14.622 4.851) 15.406 52.102 ( 0.000 2.888 -0.880) 3.019 52.157 ( 0.000 -2.346 -1.562) 2.818 52.346 ( 0.000 -11.283 2.679) 11.596 52.682 ( 0.000 11.027 1.493) 11.128 52.940 ( 0.000 -14.176 -2.006) 14.317 53.385 ( 0.000 7.732 -18.418) 19.975 53.512 ( 0.000 -5.560 -14.954) 15.954 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 9.031 35.943 -10.093) 38.410 2.016 ( 39.544 14.872 8.241) 43.045 2.288 ( 29.879 -11.792 2.192) 32.197 2.374 ( 6.193 -18.095 -13.138) 23.203 2.480 ( 0.210 4.393 -7.023) 8.287 2.532 ( -0.461 -1.026 -9.151) 9.220 2.639 ( 6.093 2.716 2.702) 7.198 2.670 ( 7.732 5.078 -3.167) 9.777 2.733 ( 4.470 -5.961 -2.855) 7.979 2.805 ( 12.000 -1.468 0.502) 12.100 2.954 ( 10.780 5.027 3.278) 12.338 3.078 ( 5.685 -7.397 1.537) 9.455 3.156 ( 2.784 0.554 -0.025) 2.838 3.219 ( 6.391 -2.941 0.685) 7.068 3.305 ( 5.776 12.591 14.392) 19.976 3.382 ( 3.075 8.099 11.573) 14.456 3.649 ( 0.654 -8.237 8.746) 12.032 3.672 ( 2.820 -6.348 -3.451) 7.756 3.802 ( 1.394 0.840 -6.335) 6.541 3.825 ( 1.435 -3.313 -13.629) 14.099 4.028 ( 5.603 9.254 2.728) 11.157 4.159 ( 0.732 1.293 1.904) 2.415 4.238 ( 1.847 1.859 1.994) 3.293 4.399 ( 0.820 4.756 -3.236) 5.811 4.483 ( -2.948 -6.557 -3.745) 8.106 4.491 ( 2.490 -1.515 7.096) 7.672 4.586 ( -2.419 0.285 2.308) 3.356 4.665 ( 5.256 -0.013 4.188) 6.721 4.721 ( -0.411 -6.572 -2.075) 6.904 4.802 ( 3.748 -6.394 1.263) 7.519 4.852 ( -1.383 2.700 -9.241) 9.726 4.860 ( 4.910 -0.501 -4.195) 6.478 4.904 ( 2.900 -3.658 0.954) 4.765 4.958 ( 0.281 -3.952 -0.654) 4.015 5.007 ( 3.882 -2.083 1.815) 4.765 5.036 ( 5.336 -2.566 5.287) 7.938 5.173 ( 1.241 9.917 3.922) 10.736 5.316 ( -4.049 5.298 1.759) 6.896 5.351 ( 5.136 -5.212 -0.129) 7.319 5.429 ( 3.729 -2.287 0.154) 4.377 5.470 ( 3.417 1.234 0.975) 3.762 5.514 ( 5.705 -0.629 -2.177) 6.139 5.622 ( -2.553 2.899 -0.440) 3.888 5.672 ( -2.299 0.249 -0.254) 2.326 5.693 ( 0.841 2.011 -11.036) 11.249 5.767 ( -3.516 -4.095 -3.632) 6.506 5.902 ( -1.172 2.190 3.533) 4.319 5.925 ( 1.361 -0.895 2.467) 2.956 5.959 ( 3.006 3.655 2.417) 5.314 6.012 ( 2.665 -1.708 -0.488) 3.203 6.137 ( -1.763 5.558 -5.843) 8.255 6.179 ( -0.959 2.700 -3.396) 4.443 6.251 ( -3.586 4.769 2.679) 6.541 6.314 ( -6.378 -0.455 1.595) 6.590 6.320 ( -0.482 -0.288 3.155) 3.204 6.375 ( -5.801 0.858 4.233) 7.233 6.445 ( 1.372 -1.821 1.152) 2.554 6.525 ( 1.680 -3.317 0.827) 3.809 6.617 ( 0.599 5.768 -2.987) 6.523 6.654 ( 4.591 1.860 3.850) 6.274 6.681 ( 3.887 -0.938 2.168) 4.548 6.688 ( 0.694 4.216 -2.477) 4.939 6.757 ( 1.972 -3.677 -1.666) 4.492 6.765 ( 3.218 -3.826 -4.451) 6.694 6.833 ( 4.765 2.869 -0.571) 5.592 6.849 ( 2.524 -0.510 -4.468) 5.157 7.249 ( -0.568 1.629 1.314) 2.169 7.286 ( 1.926 -1.113 -1.885) 2.916 7.404 ( -1.348 2.778 -1.570) 3.464 7.472 ( -2.962 -0.534 0.909) 3.144 7.524 ( 1.544 5.428 0.635) 5.679 7.572 ( -3.558 2.771 3.112) 5.479 7.685 ( 2.871 -7.308 -1.607) 8.015 7.713 ( -5.738 -8.401 1.647) 10.306 7.817 ( -3.323 1.248 4.193) 5.494 7.849 ( 1.173 -0.936 6.525) 6.695 7.954 ( -0.429 0.710 1.512) 1.725 8.004 ( 2.641 -0.981 4.339) 5.173 8.020 ( -3.965 1.561 -0.487) 4.289 8.097 ( 3.263 -3.926 5.214) 7.297 8.123 ( 2.902 1.865 5.193) 6.235 8.194 ( -3.555 -3.027 -0.244) 4.675 8.347 ( 8.730 12.003 2.733) 15.091 8.584 ( -1.408 2.982 2.767) 4.305 8.623 ( 9.584 -13.080 0.813) 16.236 8.723 ( -0.184 -9.588 0.268) 9.594 8.918 ( -3.869 8.212 10.222) 13.671 9.036 ( 1.909 -0.897 5.784) 6.157 9.130 ( -5.909 -0.139 6.193) 8.561 9.149 ( -7.900 -4.154 7.587) 11.715 9.273 ( 6.696 4.259 1.067) 8.007 9.362 ( -0.110 -2.175 6.974) 7.306 9.642 ( 3.421 3.126 -10.005) 11.027 9.675 ( 0.615 -1.928 -5.777) 6.121 9.786 ( 8.954 2.648 -3.788) 10.077 9.813 ( 4.443 0.072 -2.935) 5.326 9.867 ( 4.179 4.355 -1.703) 6.271 9.975 ( 0.194 -4.886 -4.424) 6.594 10.011 ( -4.548 7.030 1.052) 8.438 10.085 ( -1.215 0.180 -1.011) 1.591 10.196 ( -0.074 -2.470 -4.192) 4.866 10.280 ( -3.243 -0.290 8.272) 8.890 10.601 ( -2.893 -0.738 -11.737) 12.111 10.626 ( -2.998 -1.933 -5.009) 6.149 10.863 ( -13.501 1.300 -4.411) 14.263 10.900 ( -13.895 -0.009 -2.253) 14.076 11.112 ( 0.742 2.005 -0.654) 2.236 11.171 ( -0.956 7.453 4.777) 8.904 11.278 ( 2.347 -5.868 7.245) 9.615 11.376 ( 0.435 -1.048 -0.225) 1.156 11.595 ( 3.788 1.533 7.423) 8.474 11.761 ( 5.304 -13.731 9.706) 17.631 12.196 ( 1.543 15.530 -16.064) 22.397 12.500 ( -0.202 -16.726 -19.235) 25.491 16.534 ( 1.767 0.076 0.699) 1.902 16.535 ( 1.600 -0.005 0.542) 1.690 16.571 ( 0.332 0.800 -0.200) 0.888 16.587 ( 0.956 -0.784 -0.511) 1.338 16.614 ( 0.052 2.253 0.074) 2.255 16.644 ( 0.002 0.081 -0.652) 0.657 16.649 ( 0.204 -0.211 -0.252) 0.387 16.662 ( 0.116 -2.131 -0.397) 2.171 16.775 ( 0.545 0.519 1.299) 1.502 16.786 ( 0.630 -0.652 1.270) 1.560 16.910 ( -0.388 0.294 0.508) 0.704 16.916 ( -0.339 -0.279 0.599) 0.743 16.931 ( -0.223 0.665 -0.102) 0.709 16.944 ( -0.361 -0.655 -0.168) 0.766 16.969 ( 0.484 0.462 -2.842) 2.919 16.977 ( 0.097 -0.401 -3.026) 3.054 17.064 ( -0.063 0.833 1.477) 1.697 17.084 ( 0.535 -1.211 1.294) 1.851 17.125 ( -0.140 0.668 -0.515) 0.855 17.137 ( 0.112 -0.472 -0.153) 0.509 17.152 ( 0.451 0.434 1.381) 1.516 17.165 ( 0.454 -0.855 1.569) 1.843 17.214 ( -0.169 0.700 -0.266) 0.768 17.228 ( 0.022 -0.713 -0.303) 0.775 32.583 ( -2.854 1.053 0.121) 3.044 32.614 ( -2.611 -2.095 -0.069) 3.349 32.673 ( -1.199 0.612 -2.144) 2.532 32.686 ( -0.805 -0.741 -1.627) 1.961 32.729 ( -0.290 0.905 1.386) 1.680 32.739 ( -0.286 0.244 0.546) 0.663 32.852 ( -0.631 1.525 1.820) 2.457 32.860 ( -0.488 1.949 2.410) 3.137 32.888 ( -1.617 1.566 1.911) 2.953 32.955 ( -2.056 -3.580 0.460) 4.154 32.980 ( -1.061 3.037 1.087) 3.396 33.040 ( -1.163 -2.761 -0.208) 3.003 51.698 ( -3.531 0.962 -0.288) 3.671 51.725 ( -5.626 -1.665 -0.384) 5.880 51.854 ( -2.368 5.801 4.359) 7.633 51.952 ( -4.349 -1.346 2.555) 5.220 51.999 ( -5.334 1.611 1.854) 5.873 52.069 ( -3.161 2.537 2.892) 4.979 52.086 ( -3.243 5.858 3.596) 7.601 52.324 ( -2.107 -10.764 2.766) 11.311 52.809 ( 10.815 12.584 1.831) 16.693 53.081 ( 12.191 -14.414 -1.804) 18.964 53.409 ( 2.160 10.751 -13.800) 17.626 53.595 ( 6.073 -8.602 -14.182) 17.663 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 10.914 27.005 -13.208) 31.982 2.367 ( 1.896 -0.439 -7.653) 7.896 2.418 ( -0.506 -3.780 -13.631) 14.155 2.484 ( -1.140 -2.257 -9.034) 9.381 2.679 ( 9.794 1.401 3.195) 10.397 2.690 ( 8.192 2.841 -4.160) 9.617 2.821 ( 7.070 -1.611 -2.687) 7.733 2.851 ( 9.100 6.647 4.978) 12.320 2.912 ( 9.446 -3.751 -2.230) 10.406 3.059 ( 12.279 1.468 6.919) 14.170 3.231 ( 9.139 -9.249 2.889) 13.320 3.263 ( 15.122 -4.141 1.638) 15.764 3.304 ( 16.533 2.472 -2.998) 16.984 3.408 ( 11.303 -5.615 -2.056) 12.787 3.447 ( 10.486 3.363 2.405) 11.271 3.593 ( 11.733 -5.459 8.063) 15.248 3.655 ( 8.850 0.300 8.347) 12.169 3.732 ( 2.223 -2.169 3.726) 4.851 3.819 ( 2.071 3.005 -9.161) 9.861 3.894 ( 3.522 -4.782 -10.406) 11.982 4.115 ( 3.113 3.933 3.846) 6.320 4.205 ( 2.597 -5.024 1.214) 5.785 4.285 ( 4.006 10.807 -1.298) 11.599 4.374 ( -2.919 10.825 -4.659) 12.141 4.429 ( -0.958 -3.347 -3.838) 5.182 4.525 ( -2.198 -1.872 5.281) 6.018 4.570 ( -3.529 -0.546 3.552) 5.037 4.676 ( -1.354 5.100 -0.658) 5.317 4.711 ( -0.185 -8.994 -3.121) 9.522 4.816 ( 0.542 -4.290 0.775) 4.393 4.868 ( 2.197 -1.441 1.908) 3.247 4.886 ( -0.475 1.354 2.428) 2.821 4.975 ( 1.796 -1.970 -0.223) 2.675 4.993 ( 4.942 -2.687 -1.560) 5.838 5.126 ( 1.959 3.128 3.517) 5.098 5.151 ( -0.011 0.408 0.535) 0.673 5.214 ( 4.143 2.513 2.439) 5.425 5.280 ( 10.577 0.235 6.937) 12.652 5.383 ( -4.958 -3.315 4.880) 7.706 5.425 ( 1.354 -5.616 -0.914) 5.849 5.563 ( -0.532 5.405 1.040) 5.530 5.576 ( 3.907 5.361 0.104) 6.634 5.590 ( -2.638 4.558 -1.877) 5.591 5.662 ( 0.992 -1.276 0.844) 1.824 5.706 ( 1.504 -3.343 -6.395) 7.371 5.716 ( -3.230 -5.701 -2.342) 6.958 5.884 ( -0.869 3.094 -0.194) 3.220 5.934 ( -2.552 -1.275 -0.974) 3.014 5.980 ( -7.308 3.808 3.194) 8.838 6.054 ( -1.173 -3.142 3.619) 4.934 6.088 ( -0.569 1.950 -3.961) 4.452 6.134 ( -2.387 -1.628 1.253) 3.149 6.198 ( 1.100 4.326 0.364) 4.478 6.232 ( 0.634 6.184 4.643) 7.759 6.277 ( -2.886 -2.952 0.181) 4.133 6.357 ( 2.980 -6.031 2.333) 7.120 6.488 ( 2.986 4.328 -2.854) 5.983 6.572 ( 3.638 -1.107 -0.161) 3.806 6.648 ( 2.537 8.882 -3.978) 10.058 6.709 ( 3.825 4.911 3.240) 7.018 6.757 ( 2.234 1.331 2.871) 3.874 6.795 ( 2.558 -2.679 -2.975) 4.751 6.807 ( 7.654 3.326 2.756) 8.789 6.884 ( 5.650 -3.732 -1.680) 6.977 6.906 ( 6.162 4.236 -1.249) 7.581 6.982 ( 10.537 -0.201 -0.940) 10.581 7.205 ( -3.658 5.390 5.865) 8.766 7.283 ( -8.224 -0.128 6.175) 10.285 7.330 ( 2.020 3.038 -2.641) 4.504 7.425 ( -0.504 -3.327 -3.425) 4.801 7.554 ( 0.997 3.246 -0.148) 3.399 7.591 ( 0.005 -2.448 -1.821) 3.051 7.625 ( 0.292 -4.159 -3.062) 5.173 7.705 ( -1.772 -7.751 -2.909) 8.466 7.764 ( -2.104 0.894 4.653) 5.185 7.856 ( -1.858 -6.413 4.239) 7.909 7.902 ( -4.247 5.875 1.063) 7.326 7.985 ( 2.269 -0.555 -1.811) 2.956 8.007 ( -0.894 0.093 -0.186) 0.918 8.054 ( -4.344 -5.035 1.234) 6.763 8.216 ( 3.330 2.123 1.003) 4.074 8.246 ( 1.040 -1.363 -4.187) 4.525 8.533 ( 8.123 11.840 4.115) 14.937 8.583 ( 6.101 3.618 12.093) 14.020 8.684 ( 0.584 -6.063 8.947) 10.824 8.766 ( -0.769 -7.000 -0.181) 7.044 8.872 ( -3.090 1.534 6.704) 7.540 8.973 ( -2.321 1.022 4.271) 4.967 9.002 ( -2.953 -3.753 11.957) 12.875 9.082 ( -0.620 -8.482 13.421) 15.889 9.370 ( 3.191 4.309 -3.422) 6.361 9.455 ( 7.205 -4.593 -5.867) 10.365 9.639 ( -2.179 2.814 -8.278) 9.011 9.684 ( -3.198 -2.085 -7.516) 8.430 9.818 ( -1.446 6.070 -3.536) 7.172 9.865 ( -0.321 11.831 -2.256) 12.049 9.894 ( -4.258 1.565 -4.302) 6.252 10.007 ( -2.430 1.601 -2.362) 3.747 10.046 ( 3.070 -2.659 -0.773) 4.135 10.113 ( 10.196 -5.024 -4.311) 12.157 10.200 ( 0.858 -0.031 -2.895) 3.019 10.257 ( 4.352 -3.825 0.240) 5.799 10.568 ( -9.525 -0.765 -6.942) 11.811 10.601 ( -3.838 -2.631 -4.128) 6.220 10.693 ( 5.068 1.158 4.236) 6.706 10.730 ( 8.161 -3.598 -4.774) 10.116 11.091 ( -2.436 4.782 -1.674) 5.621 11.174 ( 0.614 6.267 5.447) 8.326 11.307 ( 0.807 -5.865 5.295) 7.943 11.362 ( -1.399 -1.323 0.408) 1.968 11.664 ( 2.004 4.164 5.178) 6.940 11.830 ( 0.726 -11.720 6.993) 13.667 12.145 ( -7.702 11.060 -11.883) 17.968 12.361 ( -14.432 -11.640 -12.231) 22.212 16.570 ( 1.581 0.546 0.024) 1.673 16.574 ( 2.043 -0.065 0.450) 2.093 16.584 ( 1.000 1.002 0.204) 1.430 16.606 ( 0.936 -0.742 -0.321) 1.237 16.617 ( 0.243 1.637 0.406) 1.704 16.645 ( 0.028 0.047 -0.106) 0.119 16.652 ( 0.008 -0.474 0.352) 0.590 16.663 ( -0.005 -2.001 0.064) 2.002 16.792 ( 1.276 0.592 0.811) 1.624 16.805 ( 1.270 -0.708 0.728) 1.626 16.904 ( -0.216 0.210 0.486) 0.572 16.909 ( -0.257 -0.285 0.251) 0.459 16.927 ( -0.212 0.343 -0.013) 0.403 16.936 ( -0.482 -0.548 -0.077) 0.734 16.969 ( -0.776 0.132 -1.953) 2.105 16.973 ( -0.435 -0.212 -1.996) 2.054 17.068 ( 0.510 1.513 0.865) 1.816 17.097 ( 0.686 -1.362 0.277) 1.550 17.120 ( -0.443 0.861 -0.558) 1.117 17.136 ( -0.249 -0.731 -0.578) 0.964 17.166 ( 0.844 0.601 1.173) 1.565 17.178 ( 0.856 -0.689 1.082) 1.542 17.209 ( -0.379 0.862 -0.105) 0.947 17.226 ( -0.292 -0.851 -0.266) 0.938 32.537 ( -1.371 0.127 -0.500) 1.465 32.561 ( -2.242 -2.214 -0.206) 3.158 32.633 ( -2.571 0.910 -3.166) 4.179 32.656 ( -2.235 -1.389 -2.679) 3.755 32.734 ( 0.745 1.070 0.800) 1.530 32.745 ( 0.827 0.236 0.190) 0.881 32.834 ( -1.202 1.500 1.848) 2.666 32.853 ( -1.850 0.366 1.442) 2.374 32.856 ( 0.296 2.156 2.930) 3.649 32.919 ( -1.058 -3.251 1.028) 3.570 32.950 ( -1.864 3.113 1.197) 3.820 33.007 ( -2.133 -2.530 0.097) 3.311 51.615 ( -4.763 0.441 -0.856) 4.859 51.640 ( -2.002 -2.149 -2.394) 3.789 51.741 ( -7.358 4.078 -3.141) 8.979 51.846 ( -6.502 -5.424 -3.648) 9.220 51.931 ( -0.393 5.890 6.663) 8.902 52.041 ( -2.029 9.322 6.800) 11.716 52.060 ( 1.749 -2.588 6.074) 6.829 52.268 ( -3.480 -9.739 3.438) 10.898 53.038 ( 11.721 15.006 1.701) 19.117 53.336 ( 12.649 -14.674 -2.363) 19.517 53.434 ( -0.323 13.742 -7.571) 15.693 53.682 ( 2.149 -11.446 -10.627) 15.766 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 8.774 17.106 -13.877) 23.710 2.314 ( -5.180 9.591 -10.412) 15.074 2.437 ( 0.987 -7.049 -14.883) 16.497 2.457 ( -1.224 -3.495 -11.231) 11.825 2.788 ( 4.409 0.550 -1.390) 4.655 2.823 ( 2.915 1.251 2.928) 4.317 2.894 ( 0.961 -7.023 -7.467) 10.296 2.911 ( -0.393 -6.707 -6.443) 9.309 3.057 ( 6.906 10.212 11.611) 16.935 3.148 ( -1.421 6.815 10.919) 12.950 3.385 ( 4.879 -11.796 5.834) 14.035 3.422 ( 1.419 -14.195 5.441) 15.268 3.603 ( 12.376 3.523 -2.164) 13.048 3.638 ( 8.327 2.276 -3.873) 9.462 3.675 ( 12.743 -1.769 -4.177) 13.526 3.705 ( 4.818 -3.229 -1.465) 5.981 3.766 ( 1.281 6.074 -2.155) 6.571 3.840 ( -0.963 3.267 -5.423) 6.404 3.885 ( -1.088 -1.619 1.989) 2.786 3.906 ( -2.768 -5.446 -0.707) 6.150 4.219 ( 3.190 3.799 -6.826) 8.438 4.223 ( 0.148 2.971 -8.866) 9.352 4.318 ( 7.494 6.130 2.158) 9.920 4.353 ( -1.239 3.094 4.999) 6.008 4.407 ( -6.051 -2.880 6.626) 9.424 4.442 ( -5.358 1.041 2.818) 6.143 4.593 ( 13.468 -2.624 -2.428) 13.934 4.697 ( 2.177 -3.406 -3.477) 5.332 4.735 ( 2.179 -2.520 -2.511) 4.171 4.806 ( -3.134 -5.650 -2.687) 6.997 4.866 ( -0.643 3.754 2.722) 4.681 4.930 ( -3.735 -3.612 0.670) 5.239 4.941 ( 1.978 2.578 -1.452) 3.559 5.017 ( -2.731 -1.607 -0.789) 3.265 5.096 ( -0.313 -1.869 2.832) 3.408 5.160 ( -4.614 -5.003 6.548) 9.444 5.246 ( -0.528 2.491 -4.988) 5.600 5.253 ( -0.046 1.214 -0.363) 1.268 5.411 ( -4.602 4.476 6.561) 9.179 5.470 ( -8.145 -1.072 3.445) 8.908 5.551 ( 7.136 3.803 3.478) 8.802 5.570 ( 0.378 4.772 1.387) 4.984 5.640 ( 5.967 1.733 3.881) 7.326 5.690 ( 0.460 0.942 2.570) 2.776 5.765 ( 11.797 0.407 3.642) 12.353 5.809 ( 7.490 -0.795 0.354) 7.540 5.855 ( 1.468 1.165 -4.441) 4.820 5.889 ( 0.562 -1.447 -1.743) 2.334 5.960 ( 1.335 0.607 1.808) 2.328 6.016 ( -3.095 1.526 0.956) 3.581 6.038 ( -7.745 -3.950 -1.650) 8.849 6.049 ( 0.915 -3.116 5.976) 6.802 6.139 ( -8.865 1.994 5.031) 10.386 6.169 ( -6.576 0.078 3.202) 7.314 6.269 ( 1.960 2.990 1.932) 4.064 6.327 ( -3.611 -2.263 2.739) 5.066 6.592 ( 5.925 6.281 -3.324) 9.252 6.650 ( 0.802 5.159 -1.764) 5.511 6.704 ( 3.216 0.393 -1.705) 3.661 6.776 ( -2.420 -0.534 0.269) 2.493 6.797 ( 4.330 4.633 2.784) 6.926 6.828 ( 1.848 1.112 0.565) 2.230 6.904 ( 0.420 3.474 3.918) 5.254 6.909 ( -1.066 3.815 6.247) 7.397 7.059 ( 6.110 4.382 5.298) 9.198 7.140 ( -2.763 1.255 6.686) 7.342 7.178 ( 4.685 1.007 2.119) 5.239 7.208 ( 4.297 -2.789 2.993) 5.933 7.343 ( -1.164 4.510 -0.434) 4.678 7.415 ( -4.119 -1.934 -1.979) 4.962 7.571 ( 3.527 -2.569 -4.450) 6.232 7.605 ( 4.694 -0.601 -5.151) 6.995 7.639 ( -0.910 -2.943 -6.098) 6.832 7.685 ( -1.721 -8.424 -0.445) 8.609 7.767 ( 2.951 1.190 0.608) 3.239 7.805 ( 0.228 1.318 0.590) 1.462 7.868 ( -1.696 -4.120 4.221) 6.137 7.923 ( -6.621 -5.002 -2.699) 8.726 8.028 ( 3.169 0.387 -7.240) 7.912 8.051 ( 2.419 -2.316 -0.910) 3.470 8.127 ( -6.868 3.962 -5.332) 9.555 8.188 ( -7.089 -0.993 -5.095) 8.787 8.613 ( 2.250 1.508 0.456) 2.747 8.665 ( -2.581 -2.999 0.906) 4.059 8.746 ( 1.334 -0.465 6.869) 7.012 8.785 ( -2.005 -3.857 6.686) 7.975 8.884 ( 11.087 2.559 12.028) 16.557 8.939 ( 7.436 -3.144 11.575) 14.112 9.048 ( -1.544 2.239 12.514) 12.806 9.081 ( -2.181 -1.200 12.241) 12.492 9.425 ( 3.023 6.731 -5.405) 9.146 9.513 ( -5.399 1.199 -6.868) 8.818 9.579 ( 1.649 2.700 -7.683) 8.309 9.641 ( -1.307 -3.917 -7.122) 8.233 9.777 ( -0.710 4.600 -6.781) 8.225 9.811 ( -3.145 0.797 -6.501) 7.266 9.882 ( 1.740 5.889 -0.714) 6.182 9.932 ( -3.422 -0.404 -2.101) 4.036 10.090 ( 1.894 -2.194 -1.967) 3.503 10.134 ( -1.924 -6.656 -8.619) 11.059 10.238 ( -1.545 -2.021 5.071) 5.674 10.266 ( -5.112 -5.786 4.631) 9.003 10.619 ( 11.657 -0.426 -3.212) 12.099 10.635 ( 8.881 -1.521 0.476) 9.023 10.888 ( 4.840 1.392 -1.846) 5.364 10.918 ( 1.077 -1.859 -4.418) 4.913 11.099 ( 8.477 7.281 -4.024) 11.877 11.194 ( 2.167 4.732 3.887) 6.495 11.303 ( 0.178 -3.766 -2.366) 4.451 11.349 ( -0.959 -1.969 3.459) 4.094 11.699 ( 4.654 2.560 2.216) 5.755 11.811 ( -0.191 -7.702 3.277) 8.372 11.922 ( -12.994 2.645 -6.648) 14.834 11.990 ( -20.075 -4.661 -4.436) 21.081 16.590 ( 0.658 1.396 -0.278) 1.568 16.597 ( 0.011 1.267 -0.365) 1.319 16.606 ( 1.187 0.074 -0.026) 1.190 16.620 ( -0.114 -0.319 -0.370) 0.502 16.627 ( 1.113 0.518 1.050) 1.616 16.643 ( -0.396 0.278 0.735) 0.880 16.652 ( 0.294 -1.378 0.958) 1.704 16.660 ( -0.336 -1.793 0.718) 1.961 16.821 ( 1.334 0.395 0.030) 1.392 16.828 ( 0.708 -0.374 -0.062) 0.803 16.902 ( 0.083 0.033 0.274) 0.289 16.905 ( -0.168 -0.209 0.100) 0.286 16.924 ( -0.049 -0.011 0.022) 0.055 16.927 ( -0.363 -0.329 0.010) 0.490 16.951 ( -0.603 0.046 -0.539) 0.810 16.956 ( -0.954 -0.441 -0.592) 1.206 17.084 ( 1.030 1.590 -0.190) 1.904 17.103 ( -0.636 0.898 -0.617) 1.262 17.115 ( 0.488 -0.883 -0.254) 1.040 17.127 ( -0.599 -0.950 -0.533) 1.244 17.183 ( 0.873 0.731 0.589) 1.282 17.195 ( 0.289 -0.126 0.325) 0.453 17.201 ( 0.061 0.290 0.249) 0.387 17.216 ( -0.742 -0.820 -0.066) 1.108 32.529 ( 0.252 -0.750 -1.384) 1.594 32.536 ( -0.430 -1.455 -1.315) 2.008 32.592 ( -0.976 0.013 -3.116) 3.265 32.609 ( -2.209 -1.571 -3.072) 4.097 32.753 ( 1.062 1.022 0.831) 1.692 32.762 ( 0.520 0.353 0.469) 0.784 32.811 ( -0.743 0.987 1.443) 1.900 32.820 ( -1.389 0.176 1.120) 1.794 32.874 ( 1.412 2.184 2.679) 3.734 32.907 ( -1.650 1.540 2.416) 3.306 32.927 ( 0.885 -1.285 0.458) 1.626 32.962 ( -2.268 -2.233 0.454) 3.216 51.561 ( -0.527 2.781 -1.614) 3.258 51.593 ( -3.335 2.823 -2.339) 4.956 51.667 ( 0.866 -4.732 -4.869) 6.845 51.729 ( -4.899 -7.451 -5.417) 10.433 51.952 ( 1.857 8.995 7.613) 11.930 51.995 ( -2.418 10.664 7.175) 13.079 52.117 ( 3.636 -6.674 5.617) 9.450 52.194 ( -4.028 -8.366 4.508) 10.322 53.244 ( 9.036 16.169 0.176) 18.523 53.381 ( -4.934 15.824 -2.868) 16.821 53.550 ( 8.697 -14.707 -4.193) 17.593 53.669 ( -3.456 -13.392 -7.041) 15.519 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 0.000 31.884) 31.884 1.789 ( 0.000 0.000 29.978) 29.978 2.037 ( 0.000 0.000 -17.004) 17.004 2.193 ( 0.000 0.000 -10.242) 10.242 2.412 ( 0.000 0.000 -0.058) 0.058 2.453 ( 0.000 0.000 17.474) 17.474 2.489 ( 0.000 0.000 4.592) 4.592 2.606 ( 0.000 0.000 -4.741) 4.741 2.724 ( 0.000 0.000 29.803) 29.803 2.788 ( 0.000 0.000 -4.092) 4.092 2.859 ( 0.000 0.000 -18.776) 18.776 2.989 ( 0.000 0.000 11.009) 11.009 3.001 ( 0.000 0.000 6.296) 6.296 3.181 ( 0.000 0.000 -18.382) 18.382 3.211 ( 0.000 0.000 -0.566) 0.566 3.251 ( 0.000 0.000 -3.910) 3.910 3.465 ( 0.000 0.000 13.791) 13.791 3.670 ( 0.000 0.000 7.225) 7.225 3.796 ( 0.000 0.000 -6.688) 6.688 3.902 ( 0.000 0.000 15.538) 15.538 4.002 ( 0.000 0.000 -28.655) 28.655 4.077 ( 0.000 0.000 7.609) 7.609 4.299 ( 0.000 0.000 -16.493) 16.493 4.311 ( 0.000 0.000 -15.331) 15.331 4.329 ( 0.000 0.000 7.540) 7.540 4.562 ( 0.000 0.000 6.006) 6.006 4.577 ( 0.000 0.000 7.470) 7.470 4.613 ( 0.000 0.000 -24.787) 24.787 4.781 ( 0.000 0.000 -1.499) 1.499 4.838 ( 0.000 0.000 5.657) 5.657 4.854 ( 0.000 0.000 -6.736) 6.736 4.866 ( 0.000 0.000 1.147) 1.147 4.921 ( 0.000 0.000 5.534) 5.534 5.018 ( 0.000 0.000 -3.281) 3.281 5.122 ( 0.000 0.000 14.364) 14.364 5.223 ( 0.000 0.000 4.205) 4.205 5.252 ( 0.000 0.000 1.660) 1.660 5.308 ( 0.000 0.000 1.981) 1.981 5.336 ( 0.000 0.000 8.089) 8.089 5.426 ( 0.000 0.000 1.986) 1.986 5.443 ( 0.000 0.000 0.125) 0.125 5.477 ( 0.000 0.000 -3.143) 3.143 5.483 ( 0.000 0.000 -6.851) 6.851 5.567 ( 0.000 0.000 -15.181) 15.181 5.756 ( 0.000 0.000 13.050) 13.050 5.802 ( 0.000 0.000 17.249) 17.249 5.844 ( 0.000 0.000 0.045) 0.045 5.853 ( 0.000 0.000 -1.251) 1.251 5.973 ( 0.000 0.000 -0.597) 0.597 5.993 ( 0.000 0.000 5.129) 5.129 6.038 ( 0.000 0.000 -2.728) 2.728 6.081 ( 0.000 0.000 0.962) 0.962 6.090 ( 0.000 0.000 -5.109) 5.109 6.184 ( 0.000 0.000 -12.320) 12.320 6.314 ( 0.000 0.000 -0.493) 0.493 6.357 ( 0.000 0.000 8.078) 8.078 6.364 ( 0.000 0.000 -3.311) 3.311 6.466 ( 0.000 0.000 -1.233) 1.233 6.601 ( 0.000 0.000 5.920) 5.920 6.669 ( 0.000 0.000 -1.105) 1.105 6.682 ( 0.000 0.000 1.504) 1.504 6.688 ( 0.000 0.000 2.175) 2.175 6.703 ( 0.000 0.000 -0.668) 0.668 6.815 ( 0.000 0.000 2.593) 2.593 6.843 ( 0.000 0.000 -0.062) 0.062 6.924 ( 0.000 0.000 -17.307) 17.307 7.305 ( 0.000 0.000 2.183) 2.183 7.314 ( 0.000 0.000 -0.071) 0.071 7.321 ( 0.000 0.000 -0.627) 0.627 7.351 ( 0.000 0.000 -3.553) 3.553 7.544 ( 0.000 0.000 2.793) 2.793 7.635 ( 0.000 0.000 -6.300) 6.300 7.687 ( 0.000 0.000 4.272) 4.272 7.767 ( 0.000 0.000 -3.691) 3.691 7.808 ( 0.000 0.000 4.985) 4.985 7.908 ( 0.000 0.000 -4.043) 4.043 7.974 ( 0.000 0.000 3.560) 3.560 8.051 ( 0.000 0.000 -5.859) 5.859 8.117 ( 0.000 0.000 2.224) 2.224 8.118 ( 0.000 0.000 2.185) 2.185 8.246 ( 0.000 0.000 13.647) 13.647 8.380 ( 0.000 0.000 9.095) 9.095 8.528 ( 0.000 0.000 -15.854) 15.854 8.565 ( 0.000 0.000 16.907) 16.907 8.632 ( 0.000 0.000 -13.848) 13.848 8.830 ( 0.000 0.000 -7.502) 7.502 9.022 ( 0.000 0.000 9.249) 9.249 9.132 ( 0.000 0.000 0.977) 0.977 9.146 ( 0.000 0.000 4.458) 4.458 9.204 ( 0.000 0.000 5.846) 5.846 9.238 ( 0.000 0.000 -3.222) 3.222 9.291 ( 0.000 0.000 -0.552) 0.552 9.550 ( 0.000 0.000 10.444) 10.444 9.603 ( 0.000 0.000 0.261) 0.261 9.634 ( 0.000 0.000 -2.127) 2.127 9.838 ( 0.000 0.000 -17.664) 17.664 9.917 ( 0.000 0.000 3.151) 3.151 10.005 ( 0.000 0.000 0.362) 0.362 10.064 ( 0.000 0.000 3.773) 3.773 10.087 ( 0.000 0.000 14.794) 14.794 10.247 ( 0.000 0.000 -14.496) 14.496 10.321 ( 0.000 0.000 10.408) 10.408 10.426 ( 0.000 0.000 -9.110) 9.110 10.503 ( 0.000 0.000 -6.279) 6.279 10.503 ( 0.000 0.000 -17.382) 17.382 10.524 ( 0.000 0.000 -8.214) 8.214 11.080 ( 0.000 0.000 0.680) 0.680 11.136 ( 0.000 0.000 -3.946) 3.946 11.238 ( 0.000 0.000 2.971) 2.971 11.298 ( 0.000 0.000 -3.336) 3.336 11.699 ( 0.000 0.000 6.731) 6.731 11.757 ( 0.000 0.000 0.956) 0.956 12.669 ( 0.000 0.000 22.345) 22.345 13.038 ( 0.000 0.000 -14.729) 14.729 16.530 ( 0.000 0.000 0.523) 0.523 16.530 ( 0.000 0.000 0.771) 0.771 16.549 ( 0.000 0.000 -0.188) 0.188 16.556 ( 0.000 0.000 -0.669) 0.669 16.580 ( 0.000 0.000 1.454) 1.454 16.612 ( 0.000 0.000 -1.750) 1.750 16.660 ( 0.000 0.000 0.874) 0.874 16.681 ( 0.000 0.000 -1.284) 1.284 16.802 ( 0.000 0.000 2.310) 2.310 16.823 ( 0.000 0.000 0.616) 0.616 16.896 ( 0.000 0.000 -0.525) 0.525 16.911 ( 0.000 0.000 0.044) 0.044 16.913 ( 0.000 0.000 -0.110) 0.110 16.917 ( 0.000 0.000 -2.972) 2.972 16.965 ( 0.000 0.000 0.152) 0.152 16.967 ( 0.000 0.000 0.009) 0.009 17.079 ( 0.000 0.000 1.328) 1.328 17.101 ( 0.000 0.000 -0.877) 0.877 17.137 ( 0.000 0.000 0.524) 0.524 17.147 ( 0.000 0.000 -0.492) 0.492 17.169 ( 0.000 0.000 1.528) 1.528 17.192 ( 0.000 0.000 -0.781) 0.781 17.243 ( 0.000 0.000 0.019) 0.019 17.243 ( 0.000 0.000 -0.015) 0.015 32.604 ( 0.000 0.000 0.504) 0.504 32.628 ( 0.000 0.000 -1.976) 1.976 32.648 ( 0.000 0.000 -0.342) 0.342 32.650 ( 0.000 0.000 -0.576) 0.576 32.726 ( 0.000 0.000 0.271) 0.271 32.729 ( 0.000 0.000 0.062) 0.062 32.810 ( 0.000 0.000 0.456) 0.456 32.820 ( 0.000 0.000 -0.601) 0.601 32.927 ( 0.000 0.000 4.878) 4.878 33.010 ( 0.000 0.000 -3.294) 3.294 33.021 ( 0.000 0.000 3.765) 3.765 33.080 ( 0.000 0.000 -2.232) 2.232 51.698 ( 0.000 0.000 2.566) 2.566 51.755 ( 0.000 0.000 -2.958) 2.958 51.835 ( 0.000 0.000 5.494) 5.494 51.894 ( 0.000 0.000 8.114) 8.114 51.943 ( 0.000 0.000 -5.189) 5.189 51.984 ( 0.000 0.000 0.254) 0.254 52.161 ( 0.000 0.000 -2.162) 2.162 52.191 ( 0.000 0.000 -6.097) 6.097 52.965 ( 0.000 0.000 16.791) 16.791 53.121 ( 0.000 0.000 4.539) 4.539 53.210 ( 0.000 0.000 -4.160) 4.160 53.320 ( 0.000 0.000 -17.907) 17.907 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 8.109 0.000 29.785) 30.869 1.912 ( 31.226 0.000 27.344) 41.506 2.215 ( 3.271 0.000 -10.763) 11.249 2.349 ( 25.959 0.000 -13.775) 29.387 2.412 ( 1.362 0.000 -1.161) 1.789 2.487 ( 4.931 0.000 6.782) 8.385 2.586 ( 7.397 0.000 8.022) 10.912 2.670 ( 5.846 0.000 -4.422) 7.330 2.812 ( 6.139 0.000 0.920) 6.207 2.857 ( 6.515 0.000 -5.876) 8.773 3.005 ( 15.633 0.000 5.230) 16.485 3.012 ( 1.833 0.000 6.071) 6.342 3.062 ( 6.102 0.000 2.457) 6.578 3.214 ( 4.007 0.000 -10.023) 10.794 3.291 ( 8.896 0.000 5.284) 10.347 3.363 ( 8.767 0.000 -6.112) 10.687 3.518 ( 5.165 0.000 9.288) 10.628 3.717 ( 4.098 0.000 7.261) 8.337 3.819 ( 1.737 0.000 -7.487) 7.686 3.988 ( 6.967 0.000 15.824) 17.290 4.018 ( 0.905 0.000 -23.699) 23.716 4.188 ( 8.985 0.000 7.247) 11.544 4.286 ( -1.625 0.000 -10.606) 10.730 4.336 ( -0.973 0.000 7.988) 8.047 4.423 ( 7.060 0.000 -14.378) 16.017 4.534 ( -1.454 0.000 -0.921) 1.721 4.573 ( -0.327 0.000 4.472) 4.484 4.650 ( 0.524 0.000 -15.510) 15.519 4.766 ( 1.400 0.000 5.930) 6.093 4.800 ( -2.028 0.000 -1.794) 2.707 4.820 ( 1.717 0.000 1.651) 2.381 4.974 ( 9.863 0.000 -9.234) 13.511 5.018 ( 6.815 0.000 8.454) 10.858 5.107 ( 8.182 0.000 -3.118) 8.756 5.171 ( 4.417 0.000 11.417) 12.242 5.187 ( -3.095 0.000 4.124) 5.156 5.220 ( -2.586 0.000 1.915) 3.218 5.299 ( -0.905 0.000 2.203) 2.382 5.317 ( -2.621 0.000 4.226) 4.972 5.364 ( -1.665 0.000 2.705) 3.176 5.426 ( -1.265 0.000 -4.033) 4.227 5.518 ( 1.807 0.000 -14.970) 15.079 5.521 ( 3.924 0.000 4.380) 5.881 5.626 ( 5.114 0.000 -6.087) 7.950 5.702 ( -3.636 0.000 13.237) 13.728 5.817 ( 1.626 0.000 9.508) 9.646 5.863 ( 1.220 0.000 -3.027) 3.264 5.874 ( 1.284 0.000 4.855) 5.022 5.955 ( -1.221 0.000 -1.196) 1.709 5.963 ( -1.975 0.000 5.684) 6.017 6.018 ( -2.177 0.000 -5.376) 5.800 6.076 ( -0.438 0.000 -0.857) 0.963 6.103 ( 1.731 0.000 -0.235) 1.747 6.149 ( -3.320 0.000 -9.287) 9.862 6.367 ( 0.612 0.000 4.404) 4.446 6.408 ( 7.870 0.000 0.790) 7.910 6.412 ( 4.564 0.000 -2.517) 5.212 6.470 ( 0.491 0.000 -0.071) 0.496 6.576 ( -2.134 0.000 5.814) 6.194 6.657 ( -7.234 0.000 1.890) 7.477 6.676 ( -1.209 0.000 0.444) 1.288 6.681 ( -1.663 0.000 0.922) 1.901 6.700 ( -1.152 0.000 1.105) 1.596 6.757 ( 3.558 0.000 -0.861) 3.661 6.759 ( -2.740 0.000 -4.114) 4.943 6.879 ( -3.229 0.000 -14.613) 14.965 7.298 ( -4.542 0.000 2.832) 5.353 7.305 ( 0.231 0.000 1.170) 1.193 7.371 ( 3.076 0.000 -0.507) 3.118 7.380 ( 2.956 0.000 -0.655) 3.028 7.575 ( 1.710 0.000 1.914) 2.567 7.667 ( 1.716 0.000 -7.985) 8.168 7.677 ( -2.832 0.000 8.216) 8.690 7.764 ( -1.648 0.000 -2.503) 2.997 7.768 ( -1.495 0.000 6.084) 6.265 7.943 ( -3.671 0.000 4.833) 6.069 7.955 ( 0.871 0.000 -11.130) 11.164 8.004 ( 3.003 0.000 -0.158) 3.007 8.069 ( -2.829 0.000 1.538) 3.220 8.098 ( -3.039 0.000 -1.435) 3.361 8.263 ( 0.244 0.000 8.753) 8.756 8.379 ( 3.887 0.000 12.212) 12.815 8.454 ( -8.628 0.000 -12.179) 14.925 8.586 ( 0.994 0.000 -6.396) 6.473 8.639 ( 4.930 0.000 17.616) 18.293 9.004 ( 9.643 0.000 -18.404) 20.778 9.007 ( -0.844 0.000 4.816) 4.890 9.102 ( -2.267 0.000 8.307) 8.611 9.111 ( -2.649 0.000 -0.601) 2.716 9.171 ( -4.665 0.000 0.345) 4.678 9.270 ( 4.593 0.000 -0.139) 4.595 9.300 ( 1.627 0.000 -2.482) 2.968 9.515 ( -2.647 0.000 4.058) 4.845 9.566 ( -3.142 0.000 0.572) 3.194 9.737 ( 6.410 0.000 2.841) 7.012 9.769 ( -0.276 0.000 0.688) 0.741 10.032 ( 5.311 0.000 0.511) 5.335 10.058 ( -1.387 0.000 12.239) 12.317 10.066 ( 8.919 0.000 -2.713) 9.323 10.113 ( 3.077 0.000 -2.105) 3.728 10.192 ( -7.205 0.000 -9.196) 11.682 10.297 ( -2.063 0.000 6.765) 7.072 10.368 ( -1.065 0.000 -2.744) 2.944 10.463 ( -3.552 0.000 -20.940) 21.239 10.492 ( -0.888 0.000 -1.657) 1.880 10.582 ( 3.367 0.000 -9.179) 9.777 11.012 ( -5.387 0.000 -1.767) 5.670 11.042 ( -6.572 0.000 -2.898) 7.183 11.226 ( -1.870 0.000 -1.581) 2.449 11.247 ( -5.077 0.000 -3.009) 5.901 11.776 ( 5.996 0.000 6.705) 8.995 11.834 ( 5.974 0.000 0.821) 6.031 12.655 ( -2.485 0.000 20.523) 20.673 12.979 ( -7.170 0.000 -11.798) 13.806 16.538 ( 0.511 0.000 0.415) 0.658 16.545 ( 0.606 0.000 -0.198) 0.637 16.556 ( 1.511 0.000 0.880) 1.749 16.571 ( 1.282 0.000 -0.196) 1.297 16.593 ( 1.319 0.000 0.456) 1.395 16.614 ( 0.143 0.000 -1.283) 1.291 16.668 ( 0.854 0.000 0.690) 1.098 16.687 ( 0.542 0.000 -1.118) 1.243 16.803 ( 0.136 0.000 2.186) 2.191 16.826 ( 0.284 0.000 0.375) 0.471 16.900 ( 0.315 0.000 -0.177) 0.362 16.911 ( -0.032 0.000 -0.062) 0.069 16.918 ( 0.597 0.000 -0.641) 0.875 16.920 ( 0.249 0.000 -2.323) 2.336 16.963 ( -0.182 0.000 0.149) 0.235 16.964 ( -0.289 0.000 0.155) 0.328 17.074 ( -0.522 0.000 1.326) 1.425 17.096 ( -0.545 0.000 -0.872) 1.028 17.133 ( -0.274 0.000 0.618) 0.676 17.145 ( -0.240 0.000 -0.560) 0.609 17.173 ( 0.248 0.000 1.267) 1.291 17.191 ( -0.071 0.000 -0.604) 0.608 17.232 ( -0.886 0.000 0.718) 1.141 17.242 ( -0.191 0.000 -0.296) 0.352 32.575 ( -1.987 0.000 0.480) 2.044 32.601 ( -2.107 0.000 -2.149) 3.010 32.656 ( 0.691 0.000 -0.280) 0.745 32.659 ( 0.679 0.000 -0.556) 0.878 32.713 ( -1.446 0.000 0.449) 1.515 32.720 ( -1.003 0.000 -0.208) 1.024 32.798 ( -1.055 0.000 0.328) 1.105 32.807 ( -1.210 0.000 -0.570) 1.338 32.915 ( -0.986 0.000 4.365) 4.475 32.984 ( -1.914 0.000 -1.714) 2.569 33.016 ( -0.821 0.000 2.452) 2.586 33.069 ( -1.142 0.000 -2.079) 2.372 51.693 ( -0.703 0.000 0.260) 0.750 51.717 ( -4.440 0.000 -1.666) 4.742 51.784 ( -2.800 0.000 4.244) 5.084 51.865 ( -1.167 0.000 -1.015) 1.547 51.926 ( -1.254 0.000 4.229) 4.411 51.967 ( -2.928 0.000 3.084) 4.253 52.120 ( -4.012 0.000 -4.391) 5.948 52.151 ( -3.202 0.000 -7.714) 8.352 52.998 ( 3.930 0.000 15.425) 15.918 53.147 ( 3.378 0.000 2.398) 4.143 53.361 ( 12.232 0.000 -2.222) 12.432 53.478 ( 11.638 0.000 -15.380) 19.287 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.762 0.000 16.191) 17.546 2.154 ( 0.027 0.000 2.741) 2.741 2.449 ( 4.916 0.000 8.628) 9.930 2.481 ( 14.588 0.000 15.506) 21.289 2.660 ( 10.213 0.000 0.911) 10.253 2.744 ( 9.265 0.000 11.958) 15.127 2.761 ( 6.585 0.000 -5.633) 8.666 2.827 ( 9.994 0.000 -2.777) 10.372 2.961 ( 9.795 0.000 -17.052) 19.664 3.020 ( 10.851 0.000 -9.236) 14.249 3.155 ( 14.514 0.000 -1.861) 14.632 3.172 ( 4.902 0.000 -1.667) 5.177 3.319 ( 14.143 0.000 0.039) 14.143 3.347 ( 9.471 0.000 -3.985) 10.276 3.508 ( 5.399 0.000 -3.182) 6.267 3.540 ( 8.959 0.000 -5.722) 10.630 3.689 ( 14.984 0.000 14.677) 20.975 3.796 ( 3.716 0.000 1.983) 4.212 3.817 ( -3.512 0.000 -5.357) 6.406 4.011 ( -2.601 0.000 -11.392) 11.685 4.101 ( 4.613 0.000 9.156) 10.252 4.239 ( -1.735 0.000 -3.875) 4.246 4.254 ( -5.362 0.000 7.099) 8.897 4.317 ( 2.971 0.000 7.556) 8.120 4.414 ( -3.162 0.000 -6.196) 6.956 4.515 ( -3.683 0.000 -11.843) 12.402 4.618 ( 5.374 0.000 5.146) 7.440 4.690 ( 3.250 0.000 -2.322) 3.994 4.772 ( -0.824 0.000 -0.239) 0.858 4.786 ( 0.210 0.000 -3.702) 3.708 4.990 ( 11.552 0.000 9.621) 15.034 5.101 ( -6.719 0.000 2.209) 7.073 5.105 ( -3.008 0.000 1.004) 3.172 5.132 ( 2.090 0.000 6.597) 6.920 5.140 ( 3.273 0.000 -2.705) 4.246 5.179 ( -3.796 0.000 0.980) 3.921 5.280 ( -0.955 0.000 3.437) 3.568 5.338 ( 9.344 0.000 12.651) 15.728 5.363 ( 7.440 0.000 -6.110) 9.627 5.387 ( 5.722 0.000 2.648) 6.305 5.423 ( 0.528 0.000 -2.615) 2.668 5.558 ( 0.075 0.000 7.664) 7.665 5.617 ( 4.476 0.000 -11.198) 12.059 5.663 ( 0.033 0.000 10.056) 10.056 5.665 ( -1.810 0.000 -3.556) 3.990 5.848 ( 0.796 0.000 3.723) 3.807 5.860 ( -4.726 0.000 -7.379) 8.763 5.920 ( 5.861 0.000 6.457) 8.721 5.924 ( -2.152 0.000 -2.690) 3.445 5.956 ( 2.050 0.000 6.032) 6.370 6.054 ( 8.600 0.000 -4.466) 9.691 6.074 ( 1.475 0.000 -3.195) 3.519 6.131 ( 0.882 0.000 0.962) 1.305 6.154 ( 5.377 0.000 -1.561) 5.599 6.354 ( -0.334 0.000 5.566) 5.576 6.427 ( -8.053 0.000 5.214) 9.593 6.447 ( -1.189 0.000 -1.369) 1.813 6.514 ( -0.447 0.000 -0.839) 0.950 6.560 ( 3.117 0.000 -2.629) 4.078 6.570 ( -1.448 0.000 -0.098) 1.451 6.665 ( 7.708 0.000 -1.080) 7.783 6.714 ( 2.747 0.000 -5.582) 6.221 6.740 ( 4.048 0.000 1.781) 4.422 6.790 ( 3.872 0.000 -2.673) 4.705 6.863 ( 7.569 0.000 -1.515) 7.719 6.868 ( 3.303 0.000 -3.679) 4.944 7.208 ( -4.036 0.000 6.890) 7.985 7.304 ( -0.082 0.000 0.244) 0.258 7.362 ( -7.108 0.000 -2.397) 7.501 7.396 ( -1.038 0.000 -3.487) 3.638 7.487 ( -6.883 0.000 6.704) 9.608 7.642 ( -4.894 0.000 -8.267) 9.607 7.651 ( 0.857 0.000 1.343) 1.593 7.707 ( -2.240 0.000 -5.096) 5.567 7.762 ( -3.803 0.000 4.556) 5.935 7.812 ( -2.989 0.000 10.625) 11.037 7.906 ( -4.364 0.000 -6.504) 7.832 8.044 ( -0.773 0.000 -9.542) 9.573 8.107 ( -0.223 0.000 -0.779) 0.811 8.115 ( 3.595 0.000 0.373) 3.614 8.221 ( -4.084 0.000 0.898) 4.181 8.253 ( -10.768 0.000 -5.628) 12.150 8.566 ( 13.847 0.000 13.157) 19.100 8.689 ( -1.181 0.000 10.693) 10.758 8.701 ( 9.741 0.000 -1.847) 9.914 8.950 ( -9.062 0.000 -11.959) 15.005 9.019 ( -5.350 0.000 3.174) 6.221 9.027 ( 2.141 0.000 3.122) 3.786 9.077 ( 1.424 0.000 8.870) 8.983 9.212 ( 6.024 0.000 -2.762) 6.627 9.368 ( 6.174 0.000 0.231) 6.178 9.403 ( 5.251 0.000 -1.922) 5.592 9.479 ( 0.150 0.000 4.619) 4.622 9.547 ( 2.014 0.000 0.816) 2.173 9.781 ( -2.886 0.000 0.195) 2.893 9.824 ( 1.841 0.000 -4.569) 4.926 10.030 ( 1.437 0.000 8.461) 8.582 10.066 ( -2.455 0.000 5.100) 5.660 10.153 ( 4.293 0.000 1.565) 4.569 10.214 ( 8.147 0.000 -2.109) 8.415 10.221 ( 1.665 0.000 -0.251) 1.684 10.275 ( 1.591 0.000 4.510) 4.782 10.355 ( 0.762 0.000 -7.913) 7.949 10.420 ( 0.120 0.000 -17.335) 17.336 10.492 ( 1.928 0.000 -0.816) 2.093 10.654 ( 3.959 0.000 -10.825) 11.527 10.914 ( -3.967 0.000 -2.001) 4.443 10.972 ( 0.185 0.000 -4.604) 4.608 11.119 ( -7.254 0.000 -2.030) 7.532 11.156 ( -5.147 0.000 -6.557) 8.336 11.879 ( 4.364 0.000 6.648) 7.952 11.933 ( 3.795 0.000 1.106) 3.953 12.533 ( -10.430 0.000 15.061) 18.319 12.731 ( -17.917 0.000 -4.388) 18.447 16.547 ( 0.412 0.000 0.151) 0.439 16.551 ( 0.223 0.000 -0.218) 0.311 16.593 ( 0.898 0.000 0.648) 1.108 16.598 ( 1.921 0.000 0.506) 1.986 16.619 ( 0.538 0.000 -0.234) 0.587 16.625 ( 1.653 0.000 -0.541) 1.739 16.688 ( 1.059 0.000 0.600) 1.217 16.700 ( 0.722 0.000 -0.616) 0.949 16.808 ( 0.334 0.000 1.638) 1.672 16.831 ( 0.143 0.000 -0.328) 0.358 16.905 ( 0.161 0.000 0.115) 0.198 16.910 ( -0.104 0.000 -0.040) 0.111 16.928 ( 0.670 0.000 -0.819) 1.058 16.937 ( 1.158 0.000 -1.195) 1.664 16.958 ( -0.235 0.000 0.308) 0.387 16.959 ( -0.223 0.000 0.180) 0.286 17.060 ( -0.874 0.000 1.229) 1.508 17.080 ( -1.053 0.000 -0.837) 1.345 17.130 ( -0.013 0.000 0.375) 0.375 17.140 ( -0.262 0.000 -0.555) 0.613 17.177 ( 0.215 0.000 0.897) 0.923 17.189 ( -0.140 0.000 -0.285) 0.318 17.218 ( -0.418 0.000 0.999) 1.083 17.235 ( -0.458 0.000 -0.699) 0.835 32.555 ( 0.103 0.000 -0.648) 0.656 32.567 ( -1.007 0.000 -1.814) 2.075 32.666 ( -1.832 0.000 0.591) 1.925 32.675 ( 0.879 0.000 -0.412) 0.971 32.676 ( -0.085 0.000 -0.158) 0.180 32.687 ( -2.428 0.000 -0.972) 2.615 32.773 ( -1.363 0.000 0.142) 1.370 32.779 ( -1.517 0.000 -0.471) 1.588 32.903 ( -0.057 0.000 3.369) 3.369 32.952 ( -1.054 0.000 -1.004) 1.455 32.990 ( -1.658 0.000 2.384) 2.904 33.037 ( -2.072 0.000 -1.743) 2.707 51.619 ( -4.211 0.000 1.297) 4.407 51.664 ( -2.317 0.000 -2.771) 3.612 51.765 ( 0.661 0.000 4.741) 4.786 51.873 ( 1.275 0.000 -3.723) 3.935 51.889 ( -3.635 0.000 3.781) 5.245 51.897 ( -1.671 0.000 6.490) 6.701 52.027 ( -4.772 0.000 -7.636) 9.004 52.088 ( -3.237 0.000 -8.773) 9.351 53.102 ( 5.922 0.000 15.151) 16.267 53.222 ( 3.281 0.000 4.670) 5.707 53.588 ( 9.825 0.000 -3.454) 10.415 53.668 ( 7.024 0.000 -12.474) 14.316 ======================= Grid point 73 (28/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 1.483 0.000 2.537) 2.939 2.138 ( -0.948 0.000 -0.421) 1.037 2.588 ( 7.407 0.000 12.748) 14.744 2.646 ( 3.050 0.000 10.205) 10.651 2.761 ( 1.387 0.000 4.992) 5.181 2.790 ( -1.361 0.000 2.611) 2.944 2.923 ( 5.965 0.000 8.341) 10.254 2.941 ( 3.024 0.000 2.437) 3.883 3.164 ( 9.178 0.000 -13.498) 16.323 3.210 ( 5.731 0.000 -15.158) 16.205 3.272 ( 6.276 0.000 1.331) 6.416 3.372 ( 2.376 0.000 -4.224) 4.847 3.479 ( 3.296 0.000 1.481) 3.614 3.542 ( 5.524 0.000 -4.100) 6.880 3.654 ( 4.677 0.000 -2.006) 5.089 3.680 ( 5.645 0.000 -3.923) 6.875 3.698 ( -3.431 0.000 -5.269) 6.288 3.706 ( 2.111 0.000 -6.808) 7.128 3.888 ( -8.774 0.000 0.396) 8.783 3.925 ( -3.568 0.000 -2.957) 4.634 4.179 ( 2.799 0.000 4.243) 5.083 4.221 ( -1.474 0.000 0.479) 1.550 4.288 ( 10.707 0.000 5.406) 11.994 4.373 ( 3.005 0.000 3.454) 4.578 4.395 ( 0.475 0.000 -2.889) 2.928 4.440 ( -4.053 0.000 -5.182) 6.579 4.705 ( 1.839 0.000 3.305) 3.783 4.727 ( 0.302 0.000 0.021) 0.302 4.766 ( 2.227 0.000 -1.982) 2.981 4.786 ( 0.353 0.000 -2.824) 2.846 4.952 ( -6.806 0.000 0.635) 6.836 4.963 ( -8.031 0.000 -1.548) 8.179 5.117 ( 0.787 0.000 5.960) 6.011 5.129 ( -1.052 0.000 3.196) 3.365 5.204 ( 1.988 0.000 3.318) 3.868 5.210 ( 4.292 0.000 2.095) 4.777 5.274 ( 3.687 0.000 6.748) 7.690 5.384 ( -3.214 0.000 -3.478) 4.735 5.433 ( 2.858 0.000 2.891) 4.065 5.465 ( 1.035 0.000 0.077) 1.038 5.511 ( 1.885 0.000 8.665) 8.867 5.565 ( -4.628 0.000 1.809) 4.969 5.598 ( 2.795 0.000 2.228) 3.574 5.638 ( -3.200 0.000 1.029) 3.361 5.688 ( 3.381 0.000 1.572) 3.729 5.756 ( -3.560 0.000 -6.144) 7.101 5.872 ( 1.228 0.000 0.810) 1.472 5.891 ( -1.128 0.000 -0.661) 1.307 6.048 ( 7.637 0.000 7.087) 10.419 6.087 ( 8.335 0.000 7.662) 11.322 6.127 ( 2.528 0.000 -0.812) 2.655 6.148 ( 1.237 0.000 5.046) 5.195 6.175 ( -2.645 0.000 3.952) 4.755 6.222 ( 0.504 0.000 1.381) 1.470 6.291 ( -0.582 0.000 0.346) 0.677 6.406 ( -4.967 0.000 -3.996) 6.375 6.491 ( 2.331 0.000 -4.635) 5.189 6.491 ( 7.650 0.000 -3.994) 8.630 6.552 ( 1.129 0.000 1.728) 2.064 6.559 ( -1.811 0.000 -0.268) 1.831 6.712 ( -1.885 0.000 5.498) 5.812 6.742 ( -2.720 0.000 2.315) 3.571 6.881 ( 6.028 0.000 1.588) 6.234 6.885 ( 5.335 0.000 1.170) 5.462 6.999 ( 7.304 0.000 1.826) 7.529 7.073 ( 11.779 0.000 -4.387) 12.570 7.153 ( -9.072 0.000 -1.652) 9.221 7.153 ( -0.492 0.000 -0.331) 0.593 7.254 ( -4.986 0.000 1.167) 5.120 7.315 ( -7.425 0.000 -4.360) 8.611 7.517 ( 8.765 0.000 -3.637) 9.490 7.575 ( -0.917 0.000 -7.722) 7.776 7.603 ( -4.781 0.000 -0.304) 4.791 7.662 ( -3.059 0.000 -7.549) 8.145 7.694 ( 2.143 0.000 -0.709) 2.257 7.789 ( -7.148 0.000 -9.425) 11.829 7.893 ( 5.988 0.000 3.668) 7.022 7.974 ( -6.225 0.000 0.390) 6.237 8.047 ( -4.000 0.000 -2.391) 4.660 8.057 ( -7.342 0.000 0.877) 7.394 8.123 ( -0.071 0.000 -0.753) 0.756 8.164 ( -2.173 0.000 -3.812) 4.388 8.629 ( -1.130 0.000 -0.827) 1.401 8.695 ( -7.231 0.000 -7.063) 10.108 8.831 ( 8.609 0.000 5.182) 10.048 8.890 ( -0.522 0.000 -1.571) 1.655 8.994 ( 2.070 0.000 5.879) 6.233 8.995 ( -0.696 0.000 4.344) 4.399 9.230 ( 8.469 0.000 16.999) 18.992 9.321 ( 0.634 0.000 12.909) 12.925 9.489 ( 7.108 0.000 -2.546) 7.551 9.490 ( 4.468 0.000 4.678) 6.470 9.540 ( 4.704 0.000 -5.450) 7.199 9.553 ( -2.499 0.000 -2.674) 3.660 9.690 ( -3.184 0.000 5.844) 6.655 9.756 ( -6.477 0.000 0.738) 6.519 10.063 ( 0.472 0.000 9.952) 9.963 10.101 ( -1.380 0.000 6.081) 6.236 10.184 ( 2.308 0.000 5.547) 6.008 10.221 ( -1.455 0.000 -2.125) 2.576 10.325 ( 6.549 0.000 -4.800) 8.120 10.356 ( 9.417 0.000 -4.424) 10.404 10.411 ( -1.979 0.000 -11.532) 11.701 10.473 ( 2.286 0.000 -14.028) 14.213 10.562 ( 4.488 0.000 -8.400) 9.524 10.663 ( -4.436 0.000 -15.771) 16.383 10.912 ( 4.400 0.000 3.636) 5.708 11.011 ( 0.471 0.000 -6.043) 6.062 11.022 ( -1.010 0.000 -2.363) 2.570 11.041 ( -5.302 0.000 -4.970) 7.267 11.990 ( 8.681 0.000 5.886) 10.488 12.015 ( 6.079 0.000 3.220) 6.880 12.277 ( -13.407 0.000 8.746) 16.008 12.338 ( -19.571 0.000 2.975) 19.796 16.553 ( 0.202 0.000 0.067) 0.213 16.554 ( 0.075 0.000 -0.037) 0.084 16.606 ( 0.437 0.000 0.124) 0.455 16.611 ( -0.024 0.000 -0.353) 0.354 16.642 ( 1.088 0.000 0.692) 1.289 16.648 ( 0.524 0.000 0.148) 0.544 16.705 ( 0.604 0.000 0.514) 0.793 16.710 ( 0.183 0.000 0.049) 0.189 16.817 ( 0.600 0.000 0.456) 0.753 16.828 ( -0.445 0.000 -0.580) 0.731 16.907 ( 0.033 0.000 -0.011) 0.035 16.908 ( -0.063 0.000 -0.042) 0.076 16.943 ( 0.603 0.000 0.314) 0.680 16.949 ( -0.067 0.000 -0.052) 0.085 16.958 ( 0.321 0.000 0.257) 0.411 16.961 ( 0.327 0.000 -0.230) 0.400 17.046 ( -0.190 0.000 0.523) 0.556 17.057 ( -1.118 0.000 -0.563) 1.252 17.132 ( 0.136 0.000 -0.031) 0.140 17.135 ( -0.203 0.000 -0.351) 0.406 17.181 ( 0.218 0.000 0.498) 0.544 17.186 ( -0.206 0.000 0.080) 0.221 17.217 ( 0.234 0.000 0.284) 0.368 17.225 ( -0.531 0.000 -0.508) 0.735 32.569 ( 1.103 0.000 -0.755) 1.336 32.576 ( 1.790 0.000 -1.475) 2.320 32.612 ( -2.450 0.000 0.272) 2.465 32.631 ( -2.923 0.000 -1.491) 3.281 32.692 ( 0.703 0.000 -0.398) 0.808 32.692 ( 0.649 0.000 -0.441) 0.785 32.750 ( -0.783 0.000 -0.028) 0.784 32.753 ( -1.006 0.000 -0.287) 1.046 32.915 ( 1.160 0.000 2.878) 3.103 32.940 ( -0.981 0.000 1.921) 2.157 32.967 ( 0.156 0.000 -0.209) 0.261 32.995 ( -2.086 0.000 -1.348) 2.483 51.576 ( -0.088 0.000 3.524) 3.525 51.608 ( -2.896 0.000 2.043) 3.544 51.799 ( 2.686 0.000 2.370) 3.583 51.855 ( -2.494 0.000 7.317) 7.730 51.857 ( 0.212 0.000 -0.363) 0.421 51.881 ( -1.459 0.000 -7.288) 7.433 51.977 ( 0.720 0.000 -7.467) 7.502 52.024 ( -3.199 0.000 -8.004) 8.620 53.205 ( 4.153 0.000 13.315) 13.947 53.252 ( -0.469 0.000 9.318) 9.330 53.724 ( 4.037 0.000 -6.668) 7.795 53.749 ( 1.424 0.000 -9.671) 9.775 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 8.915 26.897) 28.336 1.694 ( 0.000 -4.016 38.026) 38.237 2.015 ( 0.000 -1.525 -15.130) 15.207 2.225 ( 0.000 3.125 -10.683) 11.131 2.339 ( 0.000 -2.700 -4.972) 5.658 2.451 ( 0.000 -11.276 -15.185) 18.913 2.549 ( 0.000 -5.049 5.819) 7.704 2.581 ( 0.000 5.705 5.928) 8.227 2.687 ( 0.000 -2.852 -1.724) 3.333 2.702 ( 0.000 -0.085 -7.242) 7.242 2.845 ( 0.000 5.126 11.051) 12.182 3.047 ( 0.000 -1.814 0.146) 1.820 3.072 ( 0.000 -1.061 -0.812) 1.336 3.150 ( 0.000 -1.621 -15.063) 15.150 3.316 ( 0.000 8.048 0.553) 8.067 3.410 ( 0.000 14.379 3.410) 14.777 3.540 ( 0.000 15.026 30.255) 33.781 3.611 ( 0.000 -6.874 9.493) 11.720 3.771 ( 0.000 -6.351 -7.494) 9.823 3.918 ( 0.000 2.351 14.092) 14.286 4.023 ( 0.000 -2.434 5.184) 5.727 4.231 ( 0.000 15.070 -22.652) 27.207 4.256 ( 0.000 -2.635 1.856) 3.223 4.296 ( 0.000 0.333 -8.436) 8.443 4.329 ( 0.000 -0.166 -15.000) 15.001 4.402 ( 0.000 -8.739 -11.293) 14.280 4.474 ( 0.000 -8.008 4.690) 9.280 4.592 ( 0.000 -3.274 -10.885) 11.367 4.771 ( 0.000 -3.022 -0.028) 3.022 4.774 ( 0.000 -2.945 1.194) 3.178 4.830 ( 0.000 -3.504 1.627) 3.863 4.851 ( 0.000 -1.880 -3.616) 4.075 4.936 ( 0.000 1.754 5.192) 5.480 4.952 ( 0.000 -2.794 4.664) 5.437 5.129 ( 0.000 -0.263 5.156) 5.163 5.187 ( 0.000 -7.038 1.395) 7.174 5.251 ( 0.000 4.549 8.738) 9.851 5.319 ( 0.000 -0.444 4.436) 4.458 5.357 ( 0.000 -0.203 5.107) 5.111 5.396 ( 0.000 -2.636 -0.731) 2.735 5.460 ( 0.000 2.915 -3.639) 4.662 5.524 ( 0.000 2.397 -1.846) 3.026 5.556 ( 0.000 5.669 -2.761) 6.306 5.593 ( 0.000 0.554 -12.532) 12.544 5.613 ( 0.000 -6.935 4.660) 8.355 5.684 ( 0.000 -2.062 1.366) 2.473 5.788 ( 0.000 -3.056 2.590) 4.006 5.961 ( 0.000 -0.971 -1.798) 2.043 6.018 ( 0.000 2.696 1.085) 2.906 6.032 ( 0.000 -1.688 -0.831) 1.882 6.066 ( 0.000 2.858 -3.552) 4.559 6.106 ( 0.000 3.153 1.895) 3.678 6.224 ( 0.000 10.427 7.038) 12.580 6.302 ( 0.000 4.907 -4.554) 6.695 6.374 ( 0.000 8.104 3.309) 8.754 6.383 ( 0.000 6.355 0.419) 6.369 6.428 ( 0.000 2.330 2.811) 3.651 6.505 ( 0.000 0.316 3.752) 3.765 6.573 ( 0.000 0.820 -0.920) 1.232 6.639 ( 0.000 -1.957 -0.654) 2.063 6.645 ( 0.000 -2.873 0.210) 2.881 6.685 ( 0.000 0.030 -0.223) 0.225 6.686 ( 0.000 -2.065 -1.705) 2.678 6.784 ( 0.000 -6.182 -4.255) 7.505 6.813 ( 0.000 -4.079 -2.965) 5.043 6.850 ( 0.000 0.801 0.842) 1.162 7.288 ( 0.000 -1.913 0.023) 1.913 7.290 ( 0.000 -2.363 0.077) 2.365 7.317 ( 0.000 0.345 -0.848) 0.916 7.344 ( 0.000 0.491 -4.794) 4.819 7.504 ( 0.000 -2.482 2.068) 3.231 7.593 ( 0.000 -2.596 -6.622) 7.113 7.736 ( 0.000 4.514 6.238) 7.700 7.856 ( 0.000 3.688 -4.869) 6.108 7.880 ( 0.000 5.598 2.735) 6.231 7.888 ( 0.000 2.112 2.400) 3.197 7.965 ( 0.000 0.589 4.031) 4.074 8.058 ( 0.000 0.464 -4.494) 4.517 8.112 ( 0.000 -0.826 2.423) 2.560 8.131 ( 0.000 0.094 1.894) 1.897 8.245 ( 0.000 -0.759 8.541) 8.574 8.335 ( 0.000 -9.322 2.860) 9.751 8.361 ( 0.000 -1.617 10.033) 10.162 8.609 ( 0.000 -2.212 -13.084) 13.269 8.709 ( 0.000 -1.169 -0.372) 1.227 8.775 ( 0.000 -10.196 -2.530) 10.505 9.011 ( 0.000 2.894 8.121) 8.621 9.093 ( 0.000 7.136 1.907) 7.387 9.191 ( 0.000 2.527 2.648) 3.660 9.220 ( 0.000 2.913 2.016) 3.543 9.255 ( 0.000 -2.743 5.520) 6.164 9.313 ( 0.000 4.077 -2.227) 4.645 9.586 ( 0.000 -0.784 -1.013) 1.281 9.609 ( 0.000 -2.008 -1.607) 2.572 9.611 ( 0.000 6.319 3.681) 7.313 9.773 ( 0.000 0.245 -8.371) 8.375 9.890 ( 0.000 -2.486 5.693) 6.212 9.952 ( 0.000 -7.263 -1.987) 7.530 10.121 ( 0.000 4.782 13.138) 13.981 10.163 ( 0.000 -5.719 -4.456) 7.250 10.207 ( 0.000 4.819 -11.099) 12.100 10.271 ( 0.000 -5.076 8.797) 10.157 10.492 ( 0.000 7.848 0.603) 7.871 10.517 ( 0.000 0.987 -10.254) 10.302 10.624 ( 0.000 13.977 -10.491) 17.476 10.777 ( 0.000 14.967 -10.628) 18.356 11.089 ( 0.000 1.851 2.905) 3.444 11.182 ( 0.000 5.262 -5.357) 7.509 11.242 ( 0.000 0.279 3.408) 3.420 11.333 ( 0.000 3.668 -5.909) 6.955 11.653 ( 0.000 -4.061 7.377) 8.421 11.769 ( 0.000 0.899 -4.555) 4.643 12.415 ( 0.000 -24.141 17.607) 29.880 12.695 ( 0.000 -31.085 -10.869) 32.930 16.531 ( 0.000 0.064 0.820) 0.822 16.531 ( 0.000 0.093 0.604) 0.612 16.553 ( 0.000 0.372 -0.509) 0.630 16.557 ( 0.000 0.104 -0.653) 0.662 16.591 ( 0.000 1.058 1.123) 1.543 16.617 ( 0.000 0.434 -1.468) 1.531 16.655 ( 0.000 -0.477 0.703) 0.850 16.673 ( 0.000 -0.865 -1.087) 1.389 16.803 ( 0.000 0.094 2.187) 2.189 16.819 ( 0.000 -0.316 0.847) 0.904 16.898 ( 0.000 0.186 -0.845) 0.865 16.915 ( 0.000 -0.241 -2.825) 2.835 16.917 ( 0.000 0.396 0.012) 0.396 16.917 ( 0.000 0.584 -0.035) 0.585 16.958 ( 0.000 -0.820 0.135) 0.831 16.959 ( 0.000 -0.576 0.018) 0.576 17.082 ( 0.000 0.338 1.276) 1.320 17.104 ( 0.000 0.289 -0.873) 0.920 17.127 ( 0.000 -0.910 0.802) 1.213 17.141 ( 0.000 -0.600 -0.580) 0.835 17.172 ( 0.000 0.274 1.519) 1.544 17.195 ( 0.000 0.271 -0.782) 0.828 17.221 ( 0.000 -1.629 0.931) 1.876 17.233 ( 0.000 -0.851 -0.386) 0.935 32.607 ( 0.000 0.356 0.516) 0.627 32.630 ( 0.000 0.268 -1.843) 1.862 32.668 ( 0.000 0.279 0.065) 0.287 32.677 ( 0.000 0.739 -0.720) 1.032 32.723 ( 0.000 1.341 0.358) 1.388 32.730 ( 0.000 1.291 -0.248) 1.315 32.840 ( 0.000 2.539 0.746) 2.646 32.853 ( 0.000 2.593 -0.543) 2.649 32.932 ( 0.000 0.538 4.422) 4.455 33.004 ( 0.000 -0.680 -2.637) 2.723 33.017 ( 0.000 -0.254 3.333) 3.342 33.069 ( 0.000 -1.103 -1.880) 2.180 51.737 ( 0.000 2.201 2.725) 3.503 51.791 ( 0.000 1.106 -2.504) 2.738 51.900 ( 0.000 6.498 6.191) 8.975 51.969 ( 0.000 8.468 8.240) 11.815 52.008 ( 0.000 4.821 -3.783) 6.128 52.042 ( 0.000 5.676 0.243) 5.681 52.152 ( 0.000 -0.874 -1.466) 1.706 52.233 ( 0.000 5.020 -8.991) 10.298 52.907 ( 0.000 -5.443 16.627) 17.495 53.074 ( 0.000 -3.608 0.407) 3.631 53.114 ( 0.000 -9.091 -3.892) 9.889 53.277 ( 0.000 -4.449 -18.199) 18.735 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 8.715 -4.340 33.668) 35.047 2.062 ( 30.127 7.652 16.214) 35.059 2.242 ( 3.509 1.970 -10.464) 11.211 2.330 ( 20.076 -2.631 -12.798) 23.953 2.347 ( 3.760 -4.583 -3.198) 6.736 2.519 ( 0.850 2.012 6.210) 6.583 2.534 ( 8.898 -13.306 -14.953) 21.905 2.639 ( 5.146 4.459 4.922) 8.402 2.767 ( 8.077 -2.130 -4.344) 9.415 2.829 ( 9.871 1.699 -2.587) 10.344 2.951 ( 10.484 -0.270 5.515) 11.849 3.083 ( 4.404 -1.223 -1.590) 4.839 3.126 ( 5.446 0.703 2.250) 5.934 3.263 ( 8.648 1.675 -10.551) 13.745 3.350 ( 4.441 4.385 0.419) 6.255 3.465 ( 5.790 9.618 -0.477) 11.236 3.599 ( 0.383 -8.767 5.533) 10.374 3.638 ( 8.822 17.282 25.520) 32.059 3.864 ( 6.391 -3.468 -0.217) 7.274 3.958 ( 4.957 -1.598 11.299) 12.441 4.111 ( 2.104 -3.912 2.081) 4.905 4.162 ( -5.062 2.895 -12.904) 14.161 4.266 ( -1.581 -2.814 -1.522) 3.568 4.302 ( 0.070 -5.360 0.277) 5.367 4.325 ( 0.855 0.237 -1.204) 1.496 4.460 ( 7.710 2.313 -15.006) 17.029 4.522 ( 5.243 -0.872 -14.279) 15.236 4.687 ( 0.143 0.975 -1.631) 1.905 4.718 ( 0.621 -4.479 5.746) 7.311 4.790 ( 0.960 -1.948 0.551) 2.241 4.819 ( 1.962 -1.338 -1.527) 2.824 4.924 ( 6.069 -6.102 -1.623) 8.757 5.007 ( 4.766 -1.418 7.518) 9.014 5.044 ( 10.187 -2.289 -1.311) 10.523 5.113 ( -1.806 -0.642 2.580) 3.215 5.203 ( -0.443 -4.742 2.601) 5.427 5.241 ( 2.075 3.548 8.047) 9.035 5.317 ( -0.241 -0.019 1.787) 1.803 5.356 ( -0.613 0.603 1.432) 1.670 5.368 ( -0.656 2.290 -0.834) 2.524 5.487 ( 3.034 1.190 -6.868) 7.602 5.510 ( -2.713 -2.466 -1.632) 4.013 5.556 ( 0.107 2.260 4.436) 4.980 5.577 ( 1.770 -0.125 -0.905) 1.992 5.655 ( 4.243 0.522 -2.426) 4.916 5.751 ( 3.924 -1.352 -1.497) 4.411 5.785 ( -0.086 -3.352 1.258) 3.581 5.935 ( -2.765 -0.630 -0.132) 2.839 5.982 ( -0.907 1.085 -1.659) 2.180 6.030 ( -1.708 -0.042 -0.931) 1.945 6.059 ( -1.046 1.877 -3.121) 3.789 6.107 ( 0.600 5.033 0.101) 5.070 6.207 ( -0.265 10.930 8.505) 13.852 6.269 ( -2.991 5.362 -0.443) 6.156 6.381 ( 2.635 4.274 -0.174) 5.024 6.420 ( -2.067 -1.585 3.613) 4.454 6.459 ( 3.518 3.858 2.577) 5.822 6.524 ( 2.846 0.131 2.770) 3.973 6.538 ( -3.958 -0.105 0.546) 3.997 6.635 ( -3.303 -1.100 -2.848) 4.498 6.662 ( 0.786 -2.976 -1.051) 3.252 6.703 ( 1.095 3.023 0.383) 3.238 6.721 ( 1.551 2.741 1.475) 3.477 6.736 ( 2.034 -1.239 -3.527) 4.256 6.779 ( -1.809 -2.357 -5.457) 6.214 6.794 ( 0.022 -0.166 -2.786) 2.791 7.267 ( -1.816 -1.160 -0.206) 2.165 7.325 ( 0.895 -1.950 0.753) 2.274 7.338 ( 3.070 -2.592 -0.719) 4.082 7.392 ( 3.376 2.980 -1.044) 4.622 7.541 ( 1.532 -1.996 2.201) 3.343 7.618 ( -3.436 -1.644 -0.318) 3.822 7.644 ( -0.785 -2.147 -1.355) 2.657 7.789 ( -4.470 5.717 -2.309) 7.616 7.899 ( -2.424 3.270 1.865) 4.478 7.949 ( -3.521 1.559 8.384) 9.226 7.981 ( 7.239 -0.930 -1.669) 7.487 8.004 ( -5.639 1.195 -0.244) 5.769 8.081 ( 1.463 1.395 3.443) 3.993 8.097 ( -1.920 1.450 -4.518) 5.119 8.221 ( -3.992 -3.069 3.040) 5.882 8.275 ( -0.961 -4.400 2.913) 5.364 8.483 ( 9.774 -3.247 11.756) 15.630 8.625 ( -0.152 5.674 0.902) 5.747 8.741 ( 2.232 2.036 -1.083) 3.209 8.844 ( 4.316 -12.079 -9.700) 16.082 8.965 ( -3.405 0.696 6.366) 7.253 9.128 ( 3.174 3.380 0.972) 4.738 9.182 ( -2.309 1.815 2.916) 4.139 9.215 ( -0.147 3.847 0.614) 3.898 9.271 ( 0.698 -1.232 0.722) 1.589 9.324 ( 2.704 3.713 -3.030) 5.503 9.496 ( -3.550 4.516 2.568) 6.292 9.610 ( 0.534 1.700 -0.628) 1.889 9.707 ( 7.477 -1.357 1.226) 7.697 9.831 ( -1.804 0.796 3.329) 3.869 9.872 ( 0.998 -4.448 -3.688) 5.864 9.955 ( 0.081 -10.174 -2.125) 10.394 10.079 ( -0.394 1.100 7.356) 7.448 10.128 ( -2.667 -5.830 -7.920) 10.190 10.177 ( -6.602 -5.288 2.262) 8.756 10.268 ( 3.075 9.762 1.317) 10.320 10.434 ( -1.323 1.125 1.739) 2.458 10.546 ( -0.659 3.529 -15.860) 16.261 10.585 ( -3.986 4.711 -7.955) 10.068 10.732 ( -2.092 15.406 -0.457) 15.554 10.999 ( -5.139 3.873 -0.631) 6.466 11.140 ( -6.378 -0.858 0.467) 6.452 11.190 ( -1.391 7.813 -4.092) 8.929 11.359 ( -0.319 6.538 -4.670) 8.041 11.721 ( 5.654 -4.478 6.681) 9.831 11.839 ( 5.148 0.100 -3.515) 6.234 12.426 ( -0.129 -21.838 16.592) 27.426 12.693 ( -2.421 -26.398 -10.376) 28.467 16.541 ( 0.700 0.331 0.428) 0.884 16.548 ( 1.283 0.165 0.245) 1.317 16.558 ( 0.989 0.270 0.450) 1.119 16.574 ( 1.340 0.151 -0.779) 1.557 16.598 ( 0.792 0.676 0.851) 1.344 16.619 ( 0.276 0.489 -1.149) 1.279 16.661 ( 0.660 -0.663 0.531) 1.076 16.677 ( 0.485 -0.922 -0.905) 1.380 16.804 ( 0.152 0.105 2.049) 2.057 16.822 ( 0.272 -0.339 0.616) 0.754 16.902 ( 0.346 0.187 -0.412) 0.569 16.915 ( -0.079 0.316 -0.516) 0.611 16.917 ( 0.189 -0.154 -1.790) 1.806 16.922 ( 0.442 0.368 -0.540) 0.789 16.953 ( -0.356 -0.819 0.054) 0.895 16.958 ( -0.185 -0.623 0.086) 0.656 17.078 ( -0.404 0.442 1.262) 1.397 17.100 ( -0.420 0.400 -0.871) 1.047 17.125 ( -0.131 -0.754 0.760) 1.078 17.139 ( -0.179 -0.545 -0.632) 0.853 17.175 ( 0.233 0.250 1.307) 1.351 17.194 ( -0.031 0.339 -0.623) 0.710 17.217 ( -0.327 -1.190 1.070) 1.633 17.233 ( -0.053 -0.741 -0.511) 0.902 32.577 ( -2.478 0.327 0.679) 2.590 32.605 ( -2.263 0.320 -2.079) 3.089 32.664 ( -0.559 -1.003 -0.117) 1.154 32.686 ( 0.274 -0.284 -0.272) 0.479 32.702 ( -1.541 1.832 0.240) 2.405 32.713 ( -1.171 1.188 -0.407) 1.717 32.831 ( -0.841 2.837 0.543) 3.008 32.847 ( -0.699 2.854 -0.434) 2.970 32.917 ( -1.190 0.247 4.027) 4.206 32.978 ( -1.973 -0.723 -1.544) 2.608 33.013 ( -0.830 -0.315 2.488) 2.642 33.059 ( -1.070 -1.023 -1.734) 2.280 51.694 ( -3.837 0.687 0.922) 4.006 51.730 ( -5.953 0.129 -1.617) 6.170 51.838 ( -5.088 2.793 3.808) 6.942 51.906 ( -2.169 6.723 2.661) 7.549 52.003 ( -2.514 5.351 0.667) 5.949 52.032 ( -3.157 2.382 3.075) 5.010 52.086 ( -2.542 3.342 -1.107) 4.342 52.243 ( -0.339 6.175 -9.045) 10.957 52.957 ( 5.398 -3.546 14.874) 16.216 53.127 ( 4.954 -1.347 -0.785) 5.193 53.268 ( 12.476 -8.884 -1.867) 15.429 53.414 ( 10.796 -6.091 -16.000) 20.240 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 10.116 -6.578 23.567) 26.476 2.203 ( -2.020 2.921 -2.070) 4.111 2.329 ( 1.711 -4.741 -7.192) 8.782 2.463 ( 1.422 -19.163 -9.968) 21.648 2.584 ( 8.989 0.615 4.147) 9.919 2.714 ( 11.638 3.349 3.932) 12.733 2.760 ( 6.850 2.258 -0.875) 7.265 2.887 ( 15.626 3.556 2.367) 16.199 2.932 ( 9.333 -4.097 -4.415) 11.108 3.046 ( 12.443 3.919 -2.324) 13.251 3.198 ( 12.037 4.073 -1.731) 12.825 3.275 ( 13.998 -1.286 -2.896) 14.353 3.293 ( 13.142 3.386 2.763) 13.850 3.403 ( 8.776 4.912 -5.059) 11.258 3.508 ( 8.501 -2.256 -0.828) 8.834 3.577 ( 4.163 7.602 -4.876) 9.944 3.611 ( 0.743 -11.231 -2.269) 11.482 3.861 ( 8.123 9.961 12.383) 17.848 3.910 ( -7.425 -1.887 1.026) 7.729 3.977 ( 2.969 -8.189 7.480) 11.481 4.086 ( 0.350 -1.393 -3.439) 3.727 4.139 ( 6.103 3.692 -2.839) 7.677 4.268 ( -1.953 -4.054 2.004) 4.926 4.278 ( -1.210 2.382 1.083) 2.882 4.417 ( 5.585 -1.883 -2.295) 6.325 4.515 ( -0.759 1.904 -4.897) 5.309 4.589 ( -0.515 -0.073 1.872) 1.943 4.667 ( 2.488 -0.841 -7.785) 8.216 4.728 ( -0.378 -2.922 2.080) 3.607 4.799 ( 0.136 0.086 -1.532) 1.540 4.939 ( 4.197 -6.032 5.169) 8.984 5.011 ( -1.334 -6.176 0.013) 6.318 5.040 ( 2.312 -2.448 2.599) 4.254 5.075 ( -1.190 -3.952 2.096) 4.629 5.193 ( -0.664 -1.714 0.026) 1.838 5.222 ( -2.678 2.145 -0.526) 3.471 5.282 ( -0.382 -2.937 5.381) 6.142 5.329 ( 9.227 1.483 8.101) 12.367 5.358 ( 3.494 5.272 2.064) 6.653 5.433 ( 1.852 1.633 -0.815) 2.600 5.504 ( 5.202 3.327 -0.633) 6.207 5.560 ( 0.873 4.077 2.145) 4.689 5.587 ( 2.379 -1.558 -6.406) 7.009 5.638 ( 4.236 -0.928 3.403) 5.512 5.686 ( -0.347 -1.745 -1.507) 2.332 5.782 ( 0.264 -1.523 0.322) 1.579 5.818 ( 0.885 -0.223 -3.893) 3.999 5.886 ( -0.055 -1.089 0.759) 1.328 5.993 ( 0.122 2.444 1.905) 3.101 5.999 ( 1.206 -1.670 -1.899) 2.802 6.101 ( 5.324 1.153 -4.527) 7.083 6.118 ( 0.461 4.871 -1.555) 5.134 6.181 ( -5.486 3.920 3.027) 7.391 6.241 ( 2.952 2.870 6.442) 7.645 6.385 ( -6.262 -3.649 3.325) 7.974 6.409 ( 3.108 4.748 4.839) 7.458 6.477 ( 4.661 0.810 -3.052) 5.630 6.491 ( 0.518 2.286 2.849) 3.690 6.564 ( -1.378 0.694 0.321) 1.576 6.610 ( 1.347 4.270 -5.229) 6.884 6.699 ( 6.298 2.627 -4.850) 8.372 6.719 ( 2.094 -1.804 -0.609) 2.831 6.789 ( 5.117 4.963 1.886) 7.374 6.824 ( 7.306 5.200 0.709) 8.996 6.856 ( 5.615 -0.064 -2.554) 6.169 6.896 ( 9.502 4.121 -1.084) 10.413 7.234 ( -1.712 1.788 3.448) 4.245 7.311 ( -1.136 0.508 2.113) 2.452 7.360 ( -4.494 -0.341 -1.617) 4.788 7.421 ( -1.696 0.280 0.312) 1.746 7.473 ( -1.752 0.829 0.754) 2.080 7.594 ( -2.579 -2.197 -4.786) 5.864 7.645 ( 0.902 -0.229 -0.646) 1.133 7.707 ( -4.929 1.310 -2.748) 5.793 7.749 ( -8.620 -2.871 5.534) 10.639 7.868 ( -5.944 -0.738 -3.709) 7.045 7.882 ( -3.220 2.967 1.960) 4.797 8.034 ( -2.892 -1.202 -6.167) 6.916 8.113 ( -0.595 0.215 1.303) 1.449 8.132 ( 1.829 -1.892 2.366) 3.539 8.174 ( -0.362 3.896 -0.706) 3.976 8.241 ( -5.539 -4.052 1.590) 7.044 8.620 ( 2.062 -2.104 10.588) 10.991 8.696 ( 10.422 7.129 4.388) 13.368 8.760 ( -1.437 -0.670 -2.909) 3.313 8.882 ( 2.143 1.946 -2.540) 3.851 8.994 ( 1.450 -2.031 5.299) 5.857 9.037 ( -1.023 -2.492 6.601) 7.130 9.136 ( -4.272 3.593 -2.491) 6.112 9.280 ( 2.397 2.200 0.352) 3.273 9.326 ( 6.110 -1.281 0.432) 6.258 9.405 ( 4.437 2.110 -3.040) 5.778 9.477 ( 1.788 3.929 1.899) 4.716 9.622 ( 0.586 2.701 2.171) 3.514 9.744 ( -4.966 -2.444 0.600) 5.567 9.806 ( -1.792 -3.573 0.167) 4.001 9.890 ( 0.805 -9.606 3.445) 10.237 9.966 ( 0.840 -8.383 -3.224) 9.021 10.070 ( 0.797 -3.873 -2.031) 4.445 10.100 ( 1.024 -5.129 -3.129) 6.095 10.162 ( 5.520 -1.666 -3.253) 6.620 10.332 ( 4.284 1.523 1.714) 4.859 10.426 ( -5.183 2.716 -4.776) 7.553 10.529 ( 9.095 5.849 -5.603) 12.178 10.572 ( 0.725 0.691 -5.789) 5.875 10.741 ( 3.271 8.646 1.498) 9.364 10.935 ( -2.426 7.586 -2.322) 8.297 11.017 ( -5.044 0.084 -0.983) 5.139 11.154 ( -2.383 11.460 -4.256) 12.455 11.306 ( -4.757 8.296 -6.017) 11.298 11.813 ( 3.364 -5.408 6.086) 8.810 11.913 ( 1.941 -2.223 -2.028) 3.580 12.357 ( -7.588 -16.970 12.535) 22.420 12.536 ( -13.839 -18.521 -5.268) 23.712 16.553 ( 0.570 0.722 0.039) 0.921 16.563 ( 0.411 1.068 -0.122) 1.151 16.588 ( 1.345 -0.263 0.397) 1.426 16.606 ( 1.792 0.529 0.775) 2.022 16.614 ( 0.619 -0.213 -0.328) 0.732 16.632 ( 1.094 0.509 -0.385) 1.266 16.678 ( 0.943 -1.008 0.458) 1.454 16.690 ( 0.660 -1.034 -0.411) 1.293 16.809 ( 0.374 0.153 1.496) 1.550 16.828 ( 0.236 -0.297 -0.068) 0.385 16.907 ( 0.093 0.174 0.135) 0.239 16.912 ( -0.203 0.207 -0.006) 0.291 16.924 ( 0.503 -0.352 -0.747) 0.967 16.936 ( 0.794 -0.123 -1.170) 1.419 16.947 ( -0.227 -0.811 0.005) 0.842 16.953 ( -0.151 -0.580 -0.014) 0.599 17.067 ( -0.659 0.735 1.119) 1.493 17.087 ( -0.856 0.681 -0.827) 1.371 17.125 ( 0.065 -0.584 0.416) 0.720 17.135 ( -0.218 -0.466 -0.609) 0.797 17.180 ( 0.243 0.280 0.936) 1.007 17.193 ( -0.133 0.417 -0.324) 0.545 17.212 ( -0.102 -0.572 0.973) 1.133 17.230 ( -0.324 -0.518 -0.677) 0.912 32.539 ( -1.117 -0.894 -0.092) 1.434 32.563 ( -1.440 -0.194 -1.971) 2.449 32.623 ( -3.124 -3.003 0.334) 4.346 32.655 ( -2.564 -2.328 -1.006) 3.606 32.706 ( 0.952 2.195 -0.145) 2.397 32.710 ( 0.789 2.580 -0.247) 2.709 32.809 ( -1.328 3.156 0.328) 3.440 32.823 ( -1.684 2.926 -0.256) 3.386 32.903 ( -0.049 0.061 3.144) 3.145 32.946 ( -0.916 -0.632 -0.918) 1.442 32.987 ( -1.666 -0.318 2.509) 3.028 33.029 ( -1.980 -0.869 -1.427) 2.591 51.607 ( -4.891 -0.202 0.105) 4.896 51.630 ( -2.935 -2.136 -1.933) 4.112 51.737 ( -4.593 -3.693 2.228) 6.300 51.870 ( -5.691 -2.868 -1.015) 6.453 51.908 ( -0.693 5.061 1.059) 5.217 51.997 ( -1.443 8.346 6.750) 10.831 52.075 ( 0.736 7.637 -0.873) 7.721 52.215 ( -2.246 7.287 -9.052) 11.836 53.088 ( 7.155 -0.640 13.684) 15.455 53.224 ( 3.977 0.718 1.607) 4.349 53.502 ( 10.256 -8.405 -2.939) 13.582 53.599 ( 7.052 -6.725 -12.675) 15.988 ======================= Grid point 80 (32/36) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 5.911 -3.200 9.117) 11.327 2.157 ( -2.751 1.237 -0.266) 3.028 2.369 ( 3.222 -11.561 -1.857) 12.145 2.439 ( -3.056 -17.927 -3.025) 18.436 2.778 ( 9.122 -0.489 1.993) 9.350 2.835 ( 2.568 0.317 0.536) 2.642 2.856 ( 3.172 -2.214 -5.333) 6.588 2.945 ( -3.084 -7.067 -4.111) 8.738 3.149 ( 8.006 1.601 6.921) 10.703 3.205 ( 2.280 4.934 3.509) 6.469 3.375 ( 6.897 6.863 -7.088) 12.038 3.464 ( 0.014 6.891 -4.496) 8.228 3.503 ( 8.815 2.486 -0.126) 9.159 3.567 ( 2.874 2.285 -0.120) 3.674 3.599 ( -1.183 -7.152 -2.269) 7.596 3.663 ( -7.916 -2.385 -2.575) 8.659 3.711 ( 13.075 0.913 -2.465) 13.336 3.771 ( 14.066 3.231 -2.347) 14.622 3.951 ( -5.671 0.847 -2.202) 6.142 3.969 ( -5.344 4.831 0.585) 7.228 4.102 ( 0.824 -2.657 -0.461) 2.819 4.155 ( -4.225 -4.972 0.863) 6.581 4.314 ( 9.325 4.573 5.549) 11.775 4.376 ( 7.484 0.651 2.040) 7.784 4.451 ( -2.005 1.485 -3.766) 4.518 4.470 ( -3.573 4.901 -0.843) 6.123 4.623 ( 3.383 -4.540 1.310) 5.812 4.674 ( -1.715 -5.764 -0.074) 6.014 4.767 ( 2.449 0.344 -0.599) 2.545 4.792 ( -0.458 -0.031 -1.789) 1.847 4.929 ( -0.258 -2.215 1.320) 2.592 4.982 ( -2.496 -2.806 -1.179) 3.936 5.008 ( -3.867 -9.716 0.436) 10.466 5.040 ( -2.198 -9.375 -1.976) 9.830 5.168 ( 0.044 1.357 3.490) 3.745 5.184 ( -1.065 0.401 2.198) 2.475 5.279 ( 1.929 -1.374 5.156) 5.674 5.356 ( -4.821 -0.683 -0.145) 4.871 5.415 ( 3.267 1.529 2.186) 4.218 5.492 ( -3.540 1.863 0.678) 4.058 5.548 ( 4.310 -1.348 5.562) 7.165 5.585 ( -0.343 -0.102 2.213) 2.241 5.628 ( 3.361 5.960 0.850) 6.895 5.676 ( -1.611 4.671 0.156) 4.943 5.729 ( 4.003 2.322 -4.247) 6.281 5.790 ( -2.757 1.304 -0.968) 3.199 5.835 ( 4.430 -0.456 1.655) 4.751 5.898 ( -1.176 3.044 2.130) 3.897 6.030 ( 1.386 -5.189 0.470) 5.391 6.039 ( 1.180 -4.256 0.012) 4.417 6.072 ( 3.391 -2.969 3.004) 5.416 6.164 ( 1.625 2.710 1.852) 3.663 6.221 ( 0.076 2.029 5.123) 5.511 6.260 ( 2.419 -0.920 2.987) 3.952 6.307 ( -0.952 2.581 6.290) 6.865 6.409 ( -6.409 -2.120 -1.845) 6.998 6.516 ( 1.250 3.787 1.309) 4.197 6.529 ( 1.151 2.929 -0.034) 3.148 6.610 ( 6.783 5.075 -1.366) 8.581 6.663 ( 2.661 8.123 -3.967) 9.423 6.757 ( 1.888 4.163 2.439) 5.181 6.803 ( 0.218 4.842 1.956) 5.226 6.899 ( 5.750 3.532 2.414) 7.166 6.941 ( 2.988 4.821 4.610) 7.309 7.038 ( 9.478 4.135 2.174) 10.567 7.116 ( 12.505 3.540 -4.177) 13.651 7.187 ( -5.667 4.662 3.165) 7.991 7.220 ( -2.390 4.245 0.204) 4.876 7.263 ( -5.454 1.290 1.609) 5.831 7.347 ( -7.525 2.923 -3.721) 8.889 7.485 ( 2.174 -3.382 -5.590) 6.885 7.549 ( -4.791 -4.004 -2.886) 6.878 7.576 ( 4.510 0.297 -7.253) 8.546 7.685 ( -1.009 -0.581 -2.936) 3.158 7.704 ( 1.585 1.798 -2.651) 3.574 7.758 ( -3.795 -2.782 -8.083) 9.353 7.852 ( 0.655 -1.036 0.609) 1.369 7.964 ( -5.266 0.522 0.317) 5.301 8.034 ( -7.513 -1.242 2.161) 7.916 8.044 ( -6.656 -1.936 2.402) 7.336 8.143 ( 0.252 1.289 -0.789) 1.532 8.166 ( -1.370 1.080 -1.999) 2.653 8.612 ( -0.357 -1.761 -1.189) 2.154 8.664 ( -5.554 -2.639 -5.568) 8.296 8.918 ( 1.105 0.067 4.866) 4.990 8.938 ( 3.368 5.268 0.952) 6.324 8.968 ( 2.890 0.301 6.467) 7.089 9.018 ( 1.092 3.519 1.519) 3.986 9.226 ( 7.681 -0.216 12.475) 14.651 9.341 ( -2.763 1.292 12.073) 12.453 9.403 ( 6.876 -5.785 3.344) 9.588 9.489 ( 1.286 -1.668 -5.642) 6.022 9.519 ( 1.220 -0.923 -0.032) 1.530 9.601 ( -0.556 3.385 -6.188) 7.075 9.681 ( -1.393 -1.137 7.503) 7.715 9.736 ( -3.675 -2.165 0.642) 4.313 9.892 ( 0.969 -10.345 5.080) 11.566 9.943 ( -2.842 -9.790 -0.248) 10.197 10.088 ( 0.928 -10.166 -11.169) 15.131 10.117 ( -0.658 -8.481 -7.643) 11.436 10.289 ( 4.704 -0.910 -4.684) 6.700 10.371 ( -2.383 0.923 1.703) 3.071 10.500 ( 11.825 9.006 2.668) 15.101 10.630 ( 5.285 10.492 1.500) 11.843 10.712 ( 4.065 7.724 -9.829) 13.145 10.795 ( -2.189 7.697 -10.162) 12.935 10.929 ( 7.043 3.962 3.732) 8.901 10.974 ( -0.824 3.568 -1.187) 3.849 11.094 ( -2.332 6.519 -7.425) 10.152 11.185 ( -7.635 9.094 -6.824) 13.695 11.893 ( 6.568 -8.564 4.714) 11.777 11.945 ( 2.701 -7.171 1.510) 7.810 12.157 ( -10.503 -11.674 7.089) 17.229 12.209 ( -16.512 -12.402 1.966) 20.744 16.563 ( 0.371 1.011 0.009) 1.077 16.567 ( -0.013 1.176 -0.035) 1.176 16.606 ( 0.604 0.019 0.037) 0.605 16.613 ( -0.143 0.212 -0.221) 0.338 16.642 ( 1.156 0.018 0.652) 1.327 16.649 ( 0.381 0.172 0.215) 0.470 16.694 ( 0.610 -1.117 0.497) 1.367 16.699 ( 0.166 -1.099 0.151) 1.122 16.819 ( 0.583 0.188 0.399) 0.731 16.828 ( -0.270 -0.017 -0.447) 0.522 16.907 ( -0.029 -0.000 -0.021) 0.036 16.908 ( -0.137 0.030 0.062) 0.153 16.934 ( 0.389 -0.732 0.272) 0.872 16.939 ( -0.211 -0.815 -0.058) 0.844 16.951 ( 0.456 -0.522 0.064) 0.696 16.955 ( 0.138 -0.548 -0.371) 0.676 17.059 ( -0.032 1.101 0.374) 1.163 17.069 ( -0.928 1.018 -0.565) 1.489 17.127 ( 0.171 -0.527 -0.030) 0.555 17.131 ( -0.214 -0.472 -0.393) 0.651 17.184 ( 0.253 0.352 0.505) 0.666 17.189 ( -0.230 0.405 0.059) 0.469 17.214 ( 0.293 -0.293 0.299) 0.511 17.222 ( -0.451 -0.330 -0.419) 0.698 32.534 ( 0.619 -2.220 -0.909) 2.477 32.559 ( -0.004 -1.583 -1.064) 1.908 32.567 ( -1.234 -2.891 -0.431) 3.173 32.602 ( -2.606 -2.418 -1.409) 3.824 32.726 ( 0.960 2.297 -0.140) 2.493 32.729 ( 0.785 2.684 -0.220) 2.805 32.785 ( -0.893 2.977 0.180) 3.113 32.790 ( -1.406 2.755 -0.114) 3.095 32.914 ( 1.139 0.059 2.663) 2.896 32.938 ( -0.735 -0.136 1.509) 1.684 32.962 ( 0.002 -0.552 0.371) 0.665 32.988 ( -2.015 -0.699 -1.019) 2.364 51.551 ( -0.624 -1.376 2.043) 2.541 51.576 ( -2.642 -2.053 1.029) 3.501 51.698 ( 0.969 -7.062 -3.090) 7.769 51.758 ( -4.758 -7.540 -5.727) 10.597 51.927 ( 1.615 8.351 6.488) 10.697 51.963 ( -1.929 8.542 7.930) 11.814 52.109 ( 2.494 8.181 -4.846) 9.831 52.163 ( -2.912 7.899 -7.477) 11.259 53.209 ( 4.712 1.035 10.959) 11.974 53.260 ( -0.424 1.440 6.460) 6.632 53.647 ( 4.515 -7.570 -6.117) 10.729 53.679 ( 1.223 -6.906 -9.389) 11.719 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.000 11.835 14.026) 18.352 1.774 ( 0.000 10.456 14.327) 17.737 1.944 ( 0.000 -6.548 -1.809) 6.793 2.089 ( 0.000 -19.651 -12.726) 23.412 2.290 ( 0.000 2.582 -10.157) 10.480 2.309 ( 0.000 -0.273 -8.962) 8.966 2.559 ( 0.000 1.989 3.587) 4.101 2.593 ( 0.000 -1.488 0.982) 1.782 2.763 ( 0.000 4.185 3.895) 5.717 2.818 ( 0.000 9.329 10.151) 13.786 2.851 ( 0.000 -0.003 -1.296) 1.296 2.979 ( 0.000 -3.706 -3.752) 5.274 3.003 ( 0.000 -1.669 -5.382) 5.635 3.117 ( 0.000 -5.764 -8.487) 10.259 3.308 ( 0.000 -4.572 -4.450) 6.380 3.449 ( 0.000 -12.180 -12.841) 17.699 3.588 ( 0.000 6.699 8.549) 10.861 3.656 ( 0.000 0.028 4.983) 4.983 3.928 ( 0.000 13.893 15.026) 20.465 3.988 ( 0.000 0.147 9.004) 9.005 4.047 ( 0.000 3.242 14.469) 14.828 4.175 ( 0.000 -9.428 -2.660) 9.796 4.263 ( 0.000 11.792 2.338) 12.021 4.338 ( 0.000 3.602 -8.162) 8.921 4.342 ( 0.000 0.833 -15.623) 15.645 4.427 ( 0.000 -0.489 -3.846) 3.877 4.434 ( 0.000 2.437 -3.163) 3.993 4.578 ( 0.000 -4.434 -6.450) 7.827 4.708 ( 0.000 -3.012 2.218) 3.741 4.751 ( 0.000 1.767 -0.764) 1.925 4.765 ( 0.000 -0.811 -1.295) 1.527 4.782 ( 0.000 -4.131 -3.986) 5.740 4.951 ( 0.000 1.277 9.154) 9.242 4.966 ( 0.000 0.720 7.255) 7.290 5.036 ( 0.000 -4.213 4.479) 6.149 5.107 ( 0.000 -3.423 0.291) 3.435 5.313 ( 0.000 -0.078 0.690) 0.695 5.318 ( 0.000 0.377 0.854) 0.933 5.345 ( 0.000 0.639 -2.388) 2.472 5.378 ( 0.000 3.632 9.977) 10.617 5.448 ( 0.000 -4.235 -12.165) 12.881 5.502 ( 0.000 -5.503 1.030) 5.599 5.558 ( 0.000 0.305 6.014) 6.022 5.562 ( 0.000 0.350 2.936) 2.957 5.648 ( 0.000 3.576 -4.834) 6.013 5.704 ( 0.000 -2.726 -5.807) 6.415 5.805 ( 0.000 6.369 -7.781) 10.055 5.906 ( 0.000 -4.431 -8.856) 9.903 6.022 ( 0.000 0.660 -1.935) 2.044 6.035 ( 0.000 0.174 -4.189) 4.192 6.102 ( 0.000 0.297 6.636) 6.642 6.115 ( 0.000 -1.058 7.055) 7.134 6.349 ( 0.000 5.642 4.445) 7.183 6.378 ( 0.000 2.120 -0.448) 2.167 6.418 ( 0.000 -2.004 3.229) 3.800 6.428 ( 0.000 -0.848 2.767) 2.894 6.490 ( 0.000 1.659 -1.527) 2.255 6.512 ( 0.000 0.222 0.550) 0.593 6.589 ( 0.000 -1.440 -2.909) 3.246 6.613 ( 0.000 -3.412 -2.055) 3.983 6.621 ( 0.000 2.517 -0.721) 2.618 6.656 ( 0.000 0.966 -3.703) 3.827 6.686 ( 0.000 -0.280 -2.831) 2.844 6.694 ( 0.000 -2.423 -3.823) 4.527 6.826 ( 0.000 2.925 6.828) 7.428 6.856 ( 0.000 -0.501 2.902) 2.945 7.250 ( 0.000 -0.930 -0.204) 0.952 7.256 ( 0.000 -1.249 -0.553) 1.366 7.358 ( 0.000 4.123 -0.537) 4.158 7.396 ( 0.000 2.592 -3.676) 4.498 7.479 ( 0.000 0.692 0.739) 1.012 7.540 ( 0.000 -3.406 -4.699) 5.803 7.842 ( 0.000 4.655 2.774) 5.419 7.866 ( 0.000 0.769 1.076) 1.323 7.963 ( 0.000 2.975 7.952) 8.490 7.985 ( 0.000 4.403 7.192) 8.433 8.043 ( 0.000 -1.232 5.613) 5.746 8.050 ( 0.000 5.298 1.369) 5.472 8.097 ( 0.000 -0.122 -1.548) 1.553 8.105 ( 0.000 -1.569 1.631) 2.263 8.186 ( 0.000 -5.962 1.539) 6.157 8.200 ( 0.000 -4.159 -1.488) 4.417 8.366 ( 0.000 3.831 8.451) 9.279 8.529 ( 0.000 -11.591 1.194) 11.652 8.559 ( 0.000 -2.897 -9.000) 9.455 8.577 ( 0.000 -6.284 -1.944) 6.578 9.115 ( 0.000 4.474 9.916) 10.879 9.183 ( 0.000 -3.175 7.747) 8.372 9.260 ( 0.000 3.168 1.860) 3.674 9.273 ( 0.000 2.238 0.608) 2.319 9.348 ( 0.000 13.345 -0.466) 13.353 9.419 ( 0.000 6.358 -7.904) 10.144 9.581 ( 0.000 0.478 -2.201) 2.252 9.584 ( 0.000 -0.520 -1.286) 1.387 9.676 ( 0.000 -3.593 2.261) 4.245 9.748 ( 0.000 -12.044 1.484) 12.135 9.845 ( 0.000 5.598 -2.198) 6.014 9.891 ( 0.000 7.489 7.893) 10.880 9.983 ( 0.000 -8.744 -5.194) 10.170 10.083 ( 0.000 -10.297 9.474) 13.992 10.285 ( 0.000 2.603 -18.627) 18.808 10.305 ( 0.000 4.373 -0.066) 4.374 10.566 ( 0.000 6.525 3.345) 7.333 10.635 ( 0.000 3.298 11.298) 11.769 10.912 ( 0.000 9.302 -8.813) 12.814 10.936 ( 0.000 3.552 -5.667) 6.688 11.203 ( 0.000 7.677 10.138) 12.717 11.273 ( 0.000 0.719 1.354) 1.533 11.281 ( 0.000 8.570 1.798) 8.757 11.403 ( 0.000 1.428 -1.979) 2.440 11.631 ( 0.000 4.649 -0.915) 4.738 11.781 ( 0.000 1.245 -15.772) 15.821 11.894 ( 0.000 -24.548 7.386) 25.635 12.052 ( 0.000 -30.067 -12.932) 32.730 16.532 ( 0.000 0.054 0.813) 0.815 16.533 ( 0.000 0.022 0.728) 0.728 16.559 ( 0.000 0.141 -0.701) 0.715 16.559 ( 0.000 0.080 -0.664) 0.669 16.617 ( 0.000 1.534 0.334) 1.570 16.627 ( 0.000 0.594 -0.743) 0.951 16.643 ( 0.000 -0.638 0.133) 0.652 16.650 ( 0.000 -1.407 -0.487) 1.489 16.806 ( 0.000 0.265 1.858) 1.877 16.812 ( 0.000 -0.369 1.367) 1.416 16.903 ( 0.000 0.302 -1.620) 1.648 16.909 ( 0.000 -0.315 -2.397) 2.417 16.927 ( 0.000 0.595 0.242) 0.643 16.931 ( 0.000 0.756 -0.181) 0.777 16.941 ( 0.000 -0.842 0.277) 0.887 16.946 ( 0.000 -0.755 -0.182) 0.777 17.092 ( 0.000 0.650 1.220) 1.382 17.107 ( 0.000 -0.765 0.897) 1.179 17.114 ( 0.000 0.411 -0.593) 0.722 17.127 ( 0.000 -0.780 -0.759) 1.088 17.180 ( 0.000 0.519 1.478) 1.567 17.192 ( 0.000 -0.774 1.088) 1.335 17.206 ( 0.000 0.350 -0.515) 0.622 17.217 ( 0.000 -0.743 -0.762) 1.064 32.618 ( 0.000 0.792 0.446) 0.909 32.633 ( 0.000 -0.353 -0.796) 0.871 32.655 ( 0.000 -0.282 -0.321) 0.427 32.666 ( 0.000 -0.967 -1.103) 1.467 32.765 ( 0.000 1.559 0.607) 1.673 32.766 ( 0.000 1.335 0.631) 1.477 32.886 ( 0.000 1.808 0.879) 2.010 32.895 ( 0.000 1.139 0.159) 1.150 32.951 ( 0.000 1.444 2.459) 2.852 32.982 ( 0.000 -1.528 -0.526) 1.616 33.018 ( 0.000 0.573 1.628) 1.726 33.042 ( 0.000 -1.616 -0.719) 1.769 51.768 ( 0.000 1.313 1.663) 2.119 51.789 ( 0.000 -0.824 -0.319) 0.883 52.023 ( 0.000 5.361 5.794) 7.893 52.064 ( 0.000 1.075 0.068) 1.077 52.120 ( 0.000 1.154 2.313) 2.585 52.128 ( 0.000 -0.508 -0.560) 0.756 52.203 ( 0.000 11.959 7.183) 13.951 52.331 ( 0.000 1.011 -4.699) 4.807 52.816 ( 0.000 -1.330 12.361) 12.432 52.913 ( 0.000 -9.905 0.481) 9.917 53.052 ( 0.000 2.627 -12.093) 12.375 53.160 ( 0.000 -7.063 -18.573) 19.870 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 4.365 10.981 11.061) 16.186 2.062 ( 4.399 -12.943 -9.649) 16.732 2.248 ( 9.566 -1.007 -5.727) 11.195 2.259 ( 27.916 -0.760 1.422) 27.962 2.309 ( 3.357 3.872 -4.500) 6.820 2.384 ( 20.442 -2.594 -3.202) 20.853 2.588 ( 3.422 4.682 0.079) 5.800 2.697 ( 9.534 -5.706 -0.313) 11.115 2.776 ( 4.727 9.021 5.054) 11.369 2.881 ( 5.301 -0.081 4.479) 6.940 2.992 ( 11.703 6.370 -0.024) 13.325 3.036 ( 5.772 -1.107 -3.465) 6.822 3.068 ( 7.156 -4.504 -2.723) 8.883 3.220 ( 8.300 -9.483 0.550) 12.614 3.341 ( 4.522 -1.943 -9.893) 11.050 3.487 ( 3.665 -11.457 -10.642) 16.061 3.541 ( -2.577 8.433 4.516) 9.907 3.686 ( 1.079 -6.039 4.274) 7.477 3.937 ( -0.887 2.266 9.283) 9.597 3.986 ( -0.227 1.336 17.348) 17.401 4.102 ( 4.287 5.339 2.541) 7.303 4.222 ( 0.350 1.300 -4.217) 4.427 4.256 ( 4.563 5.977 6.005) 9.623 4.306 ( -0.547 4.565 -6.050) 7.599 4.367 ( 0.013 4.025 -2.783) 4.894 4.479 ( 6.302 -0.411 -8.576) 10.650 4.573 ( 8.709 0.374 2.627) 9.104 4.700 ( -3.408 1.632 -0.536) 3.817 4.709 ( 2.880 1.375 -2.850) 4.279 4.735 ( 2.577 -3.207 -1.771) 4.480 4.749 ( 5.201 -6.449 1.085) 8.356 4.822 ( 3.457 -0.821 -6.888) 7.750 4.995 ( 1.189 -0.281 7.951) 8.044 5.024 ( 4.177 2.594 3.456) 6.010 5.039 ( 1.417 -7.493 7.787) 10.899 5.133 ( 3.087 -1.445 1.237) 3.626 5.278 ( -0.904 -0.887 -3.670) 3.883 5.292 ( 4.438 -2.557 -3.214) 6.046 5.385 ( -0.506 5.957 6.438) 8.785 5.426 ( 2.464 1.948 -4.110) 5.173 5.454 ( 2.484 -1.626 -6.608) 7.244 5.493 ( 0.867 -2.656 1.093) 3.000 5.572 ( 1.476 -0.159 6.928) 7.085 5.586 ( 2.217 0.217 3.992) 4.571 5.658 ( 0.214 1.673 -1.570) 2.304 5.715 ( 0.948 -4.088 -1.823) 4.576 5.817 ( 1.284 4.836 -9.141) 10.421 5.898 ( -1.427 -3.463 -7.422) 8.314 5.985 ( -1.951 1.047 -3.013) 3.739 6.033 ( -1.149 -2.617 -4.223) 5.100 6.084 ( -0.513 2.885 4.464) 5.339 6.144 ( 2.210 -1.844 5.859) 6.527 6.317 ( -4.339 6.251 3.865) 8.535 6.377 ( -5.539 1.347 3.642) 6.765 6.401 ( 2.294 1.974 -2.102) 3.685 6.414 ( -2.112 -2.583 3.440) 4.792 6.466 ( -2.758 -1.654 -0.353) 3.236 6.510 ( -4.297 -1.845 0.694) 4.728 6.556 ( 3.037 3.754 -2.712) 5.538 6.619 ( 3.396 -1.714 -4.089) 5.585 6.624 ( 0.013 -1.921 -2.262) 2.968 6.640 ( 2.054 -3.234 -2.620) 4.641 6.742 ( 4.318 1.328 -0.288) 4.527 6.765 ( 4.447 -0.602 -0.228) 4.494 6.846 ( 3.755 6.079 2.669) 7.627 6.873 ( 3.680 3.363 2.259) 5.473 7.245 ( -0.799 -0.546 -0.843) 1.283 7.270 ( 1.668 -2.766 -0.098) 3.232 7.365 ( 2.060 6.355 -0.752) 6.722 7.457 ( 4.350 0.991 -1.771) 4.800 7.518 ( 2.686 0.286 1.072) 2.906 7.582 ( 3.213 -4.073 -5.119) 7.288 7.676 ( -10.418 6.482 4.972) 13.239 7.831 ( -8.975 -8.207 5.872) 13.505 7.902 ( -2.296 4.135 1.629) 5.002 7.945 ( -4.510 3.178 -3.332) 6.445 7.982 ( -1.421 -2.899 2.821) 4.287 8.007 ( -6.359 -1.004 2.220) 6.809 8.104 ( 0.787 1.656 1.865) 2.615 8.140 ( -2.833 -2.138 5.254) 6.340 8.209 ( 5.239 3.790 2.407) 6.900 8.250 ( 1.172 0.798 1.139) 1.819 8.452 ( 10.108 2.426 8.100) 13.178 8.612 ( 10.053 -10.484 -2.639) 14.763 8.646 ( 4.839 -3.092 0.950) 5.821 8.671 ( 6.671 -3.861 -4.200) 8.778 9.096 ( -3.022 8.165 9.046) 12.555 9.195 ( -5.685 1.043 4.971) 7.623 9.200 ( 0.069 -1.196 3.179) 3.397 9.212 ( -2.483 -0.001 -0.637) 2.563 9.347 ( -0.938 8.847 3.161) 9.442 9.436 ( 2.459 7.553 -5.873) 9.879 9.539 ( -5.193 -7.448 1.353) 9.180 9.581 ( 1.293 -5.148 -1.270) 5.458 9.734 ( 4.147 4.176 -0.430) 5.901 9.797 ( 4.063 -4.260 -0.965) 5.966 9.822 ( 0.777 4.873 -4.679) 6.800 9.894 ( -3.266 2.263 3.282) 5.153 9.985 ( 1.284 -6.941 -7.069) 9.990 10.024 ( -4.568 -7.317 3.792) 9.422 10.192 ( -5.058 7.443 -0.969) 9.051 10.353 ( 0.729 -6.557 -6.399) 9.191 10.472 ( -6.653 7.187 5.953) 11.461 10.550 ( -5.175 -0.744 -1.660) 5.486 10.739 ( -11.686 7.557 -7.506) 15.812 10.869 ( -8.120 -3.376 -1.070) 8.858 11.174 ( -0.151 11.864 6.351) 13.458 11.243 ( -0.349 13.936 2.347) 14.136 11.350 ( 1.737 2.833 0.365) 3.343 11.413 ( 0.062 -0.783 1.336) 1.550 11.693 ( 4.589 3.479 2.769) 6.389 11.854 ( 5.118 3.751 -14.434) 15.767 11.940 ( 3.636 -24.125 6.870) 25.346 12.140 ( 4.910 -26.015 -12.815) 29.412 16.547 ( 1.262 0.231 0.600) 1.417 16.550 ( 1.567 -0.025 0.656) 1.699 16.566 ( 0.899 0.476 -0.208) 1.038 16.573 ( 1.184 -0.239 -0.735) 1.414 16.619 ( 0.240 1.385 0.394) 1.460 16.630 ( 0.318 0.549 -0.652) 0.910 16.647 ( 0.335 -0.741 -0.002) 0.814 16.654 ( 0.429 -1.371 -0.309) 1.469 16.808 ( 0.181 0.285 1.684) 1.717 16.815 ( 0.228 -0.406 1.157) 1.247 16.907 ( 0.313 0.249 -1.067) 1.139 16.912 ( 0.260 -0.277 -1.847) 1.886 16.924 ( -0.269 0.536 -0.106) 0.609 16.931 ( 0.001 0.508 -0.333) 0.607 16.937 ( -0.247 -0.712 -0.034) 0.754 16.944 ( -0.133 -0.700 -0.162) 0.731 17.090 ( -0.183 0.758 1.151) 1.390 17.106 ( -0.110 -0.606 0.585) 0.850 17.113 ( -0.120 0.333 -0.424) 0.553 17.126 ( -0.118 -0.766 -0.776) 1.097 17.182 ( 0.243 0.521 1.319) 1.439 17.195 ( 0.217 -0.731 1.100) 1.338 17.206 ( -0.038 0.484 -0.513) 0.707 17.218 ( 0.060 -0.757 -0.709) 1.039 32.589 ( -2.634 0.936 0.596) 2.858 32.607 ( -2.328 -0.480 -0.780) 2.502 32.641 ( -1.842 -0.251 -0.572) 1.946 32.657 ( -1.423 -1.500 -1.061) 2.324 32.748 ( -1.120 1.498 0.434) 1.920 32.749 ( -0.840 1.369 0.440) 1.665 32.881 ( -0.572 1.905 0.881) 2.176 32.890 ( -0.530 1.116 0.132) 1.243 32.930 ( -1.675 1.150 2.309) 3.076 32.957 ( -1.958 -1.401 -0.417) 2.443 33.011 ( -0.867 0.454 1.606) 1.880 33.033 ( -0.935 -1.533 -0.601) 1.893 51.709 ( -5.240 0.869 1.122) 5.429 51.725 ( -5.733 -0.645 -0.176) 5.772 51.890 ( -10.192 3.297 0.213) 10.714 51.959 ( -9.983 -3.705 -1.240) 10.720 52.066 ( -0.895 7.156 4.272) 8.382 52.144 ( -0.073 0.108 2.757) 2.760 52.204 ( -0.509 9.796 6.884) 11.984 52.323 ( -1.126 -0.421 -3.663) 3.855 52.925 ( 9.705 2.284 9.911) 14.058 53.063 ( 12.201 -10.481 1.305) 16.138 53.145 ( 7.736 3.732 -10.501) 13.566 53.270 ( 9.190 -8.080 -16.270) 20.358 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 6.436 5.629 5.731) 10.293 2.111 ( 2.181 -15.074 -12.184) 19.505 2.249 ( -3.055 1.347 -5.920) 6.797 2.274 ( -1.533 -0.985 -9.094) 9.274 2.598 ( 3.033 3.118 -1.933) 4.761 2.704 ( 6.436 -5.767 -2.091) 8.891 2.851 ( 7.906 4.708 6.079) 11.028 2.895 ( 6.639 0.563 4.506) 8.044 2.972 ( 16.240 6.147 0.272) 17.367 3.073 ( 13.243 -1.411 -5.653) 14.468 3.248 ( 15.681 -0.257 -0.550) 15.693 3.265 ( 15.054 -0.117 -0.378) 15.059 3.303 ( 15.898 -0.089 3.860) 16.360 3.387 ( 10.085 -8.175 -2.035) 13.140 3.490 ( 8.983 0.474 -2.732) 9.401 3.544 ( 5.451 8.389 -0.149) 10.006 3.586 ( 4.181 -13.188 -5.799) 15.001 3.690 ( 2.967 -2.586 -2.780) 4.818 3.901 ( -1.772 3.318 7.654) 8.529 4.011 ( 1.722 -4.565 9.883) 11.022 4.088 ( -3.463 2.349 -5.001) 6.520 4.185 ( -5.244 -5.568 -5.292) 9.301 4.333 ( 1.821 8.102 1.303) 8.406 4.352 ( 5.298 10.183 6.118) 13.007 4.421 ( 5.217 2.167 1.666) 5.890 4.564 ( 1.143 -2.222 -1.353) 2.842 4.604 ( -5.444 1.165 0.437) 5.584 4.646 ( -3.830 -3.853 -2.508) 5.984 4.693 ( 2.501 2.098 4.324) 5.418 4.805 ( 1.422 -5.551 0.810) 5.787 4.842 ( -0.991 4.649 -7.325) 8.732 4.893 ( 3.503 -2.100 -2.036) 4.563 4.985 ( -0.954 -3.629 3.683) 5.258 5.016 ( -1.793 -2.959 3.155) 4.682 5.130 ( 5.940 -1.618 0.084) 6.157 5.189 ( -0.097 -4.426 -1.955) 4.839 5.349 ( -4.080 6.620 6.842) 10.357 5.396 ( 8.638 3.482 3.184) 9.842 5.426 ( 8.137 2.375 4.613) 9.651 5.488 ( -0.309 3.040 -4.227) 5.216 5.516 ( 3.329 -3.499 0.835) 4.902 5.547 ( 2.077 -1.356 -1.316) 2.808 5.616 ( 5.126 2.177 0.300) 5.577 5.627 ( 3.283 1.676 4.306) 5.668 5.676 ( 3.164 -0.592 0.427) 3.247 5.739 ( 1.997 -5.940 3.022) 6.957 5.839 ( -3.093 1.648 -3.232) 4.767 5.858 ( 2.016 -0.007 -5.386) 5.751 5.962 ( -1.218 -0.890 -4.552) 4.795 6.023 ( -0.328 -4.378 -6.208) 7.604 6.075 ( -0.761 3.910 2.531) 4.720 6.179 ( -0.235 -4.036 4.140) 5.787 6.204 ( -2.468 2.684 0.242) 3.655 6.254 ( -5.036 -0.207 -1.045) 5.147 6.363 ( 0.732 2.582 4.150) 4.942 6.442 ( -0.181 -4.745 1.559) 4.998 6.467 ( 1.868 2.036 2.728) 3.883 6.495 ( 4.761 0.111 -4.240) 6.377 6.623 ( 1.486 2.897 0.513) 3.296 6.677 ( 1.878 -2.262 -3.803) 4.807 6.731 ( 9.289 3.485 -1.052) 9.977 6.742 ( 9.102 1.440 -3.078) 9.715 6.844 ( 7.092 2.054 0.626) 7.410 6.869 ( 7.386 0.023 -0.813) 7.431 6.974 ( 8.440 7.817 5.040) 12.560 7.005 ( 8.895 4.453 1.329) 10.036 7.247 ( 1.215 0.582 -0.707) 1.521 7.306 ( 1.782 -3.853 -0.137) 4.248 7.401 ( -2.082 6.409 3.444) 7.568 7.429 ( -7.672 3.221 4.493) 9.456 7.533 ( -0.453 3.769 -1.989) 4.286 7.559 ( -2.309 -1.260 -2.008) 3.309 7.618 ( -4.768 -4.687 2.540) 7.152 7.646 ( -1.536 -5.072 -1.162) 5.425 7.798 ( -6.826 4.666 -4.299) 9.319 7.848 ( -8.069 -0.789 -4.022) 9.050 7.921 ( 0.176 1.482 3.700) 3.990 7.987 ( -0.114 -4.327 0.161) 4.332 8.078 ( -3.009 -0.833 5.486) 6.312 8.108 ( -0.375 -2.912 4.442) 5.325 8.210 ( -3.286 3.265 -0.383) 4.649 8.252 ( -2.455 1.059 0.310) 2.692 8.596 ( 1.398 1.692 2.265) 3.154 8.673 ( -2.167 -4.800 -2.607) 5.877 8.824 ( 12.004 4.448 7.434) 14.804 8.897 ( 14.103 -5.119 5.248) 15.895 8.999 ( -7.829 4.043 8.357) 12.144 9.054 ( -5.320 2.758 3.499) 6.939 9.138 ( -2.262 -0.263 -3.640) 4.293 9.206 ( 0.729 -4.183 -3.733) 5.654 9.409 ( 3.123 3.303 7.739) 8.975 9.450 ( 1.042 1.332 5.036) 5.312 9.505 ( 1.473 -1.839 -0.840) 2.501 9.575 ( -2.319 -7.001 -3.267) 8.066 9.760 ( -4.504 2.305 -2.672) 5.721 9.797 ( 0.274 8.963 -4.132) 9.873 9.820 ( -3.039 -1.131 -1.320) 3.501 9.875 ( -0.172 -0.606 -7.040) 7.068 9.985 ( -0.449 -5.339 -3.618) 6.465 9.993 ( -3.610 -6.194 -4.321) 8.371 10.186 ( 7.872 6.168 -0.784) 10.031 10.333 ( 7.333 -3.879 5.431) 9.915 10.447 ( -2.549 0.380 -3.192) 4.102 10.490 ( -0.445 -4.625 -5.883) 7.496 10.657 ( 6.803 5.820 -2.176) 9.214 10.755 ( 0.653 -4.333 0.372) 4.397 11.147 ( -3.987 12.457 6.434) 14.577 11.242 ( -0.542 14.937 1.796) 15.054 11.320 ( -4.342 2.520 -1.130) 5.146 11.407 ( -0.712 2.015 0.095) 2.139 11.754 ( 0.800 1.367 3.871) 4.183 11.891 ( -2.432 2.730 -11.150) 11.734 11.966 ( -1.929 -19.927 5.701) 20.816 12.131 ( -6.483 -19.889 -8.318) 22.512 16.571 ( 1.016 0.889 0.042) 1.351 16.583 ( 1.501 -0.308 0.258) 1.554 16.586 ( 0.834 1.042 -0.013) 1.335 16.602 ( 1.521 -0.626 -0.030) 1.646 16.626 ( 0.560 1.173 0.384) 1.355 16.642 ( 0.902 0.417 -0.111) 1.000 16.655 ( 0.509 -1.085 0.025) 1.198 16.665 ( 0.601 -1.320 0.066) 1.452 16.814 ( 0.427 0.324 1.106) 1.229 16.821 ( 0.384 -0.403 0.524) 0.764 16.911 ( -0.045 0.190 0.183) 0.268 16.915 ( -0.320 -0.105 0.268) 0.430 16.920 ( 0.171 0.147 -0.912) 0.939 16.928 ( -0.172 -0.607 -0.921) 1.117 16.938 ( 0.258 0.005 -0.508) 0.570 16.942 ( 0.017 -0.448 -0.476) 0.653 17.085 ( -0.275 1.053 0.851) 1.382 17.101 ( -0.436 0.209 -0.322) 0.581 17.111 ( -0.039 -0.349 0.132) 0.376 17.122 ( -0.242 -0.803 -0.720) 1.105 17.188 ( 0.312 0.553 0.943) 1.137 17.200 ( 0.255 -0.650 0.940) 1.171 17.204 ( -0.104 0.687 -0.421) 0.812 17.218 ( -0.139 -0.694 -0.570) 0.909 32.535 ( -2.422 0.621 0.419) 2.536 32.558 ( -2.401 -1.132 -0.459) 2.694 32.584 ( -3.277 -0.029 -1.110) 3.460 32.610 ( -2.946 -2.082 -1.687) 3.983 32.744 ( 0.596 1.390 0.214) 1.528 32.749 ( 0.688 1.006 0.168) 1.230 32.861 ( -1.466 1.791 0.751) 2.433 32.867 ( -1.751 1.189 0.124) 2.120 32.910 ( -0.083 0.788 2.015) 2.165 32.929 ( -0.520 -1.043 -0.043) 1.166 32.985 ( -1.680 0.434 1.702) 2.430 33.006 ( -1.785 -1.397 -0.393) 2.301 51.606 ( -4.769 -0.021 -0.258) 4.776 51.613 ( -4.530 -0.203 -0.331) 4.547 51.703 ( -8.052 0.994 -0.409) 8.124 51.767 ( -8.740 -4.947 -3.146) 10.525 52.069 ( 0.988 7.755 5.230) 9.405 52.154 ( 1.170 0.477 2.270) 2.598 52.181 ( -1.719 8.338 6.738) 10.857 52.289 ( -2.227 -1.009 -2.151) 3.257 53.127 ( 9.797 5.716 7.268) 13.472 53.280 ( 6.147 4.476 -5.970) 9.668 53.303 ( 10.110 -9.833 -0.601) 14.116 53.436 ( 6.596 -9.268 -11.984) 16.523 ======================= Grid point 87 (36/36) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.902 -0.161 -0.164) 5.907 2.122 ( -2.442 -8.652 -7.508) 11.713 2.207 ( 0.055 -0.756 -6.614) 6.657 2.236 ( -2.065 -2.945 -8.854) 9.557 2.663 ( 3.850 -2.199 -4.711) 6.470 2.731 ( -2.143 -8.461 -5.390) 10.259 2.918 ( 1.702 3.828 4.976) 6.505 2.939 ( -0.079 2.252 3.055) 3.796 3.213 ( 7.940 4.455 2.523) 9.447 3.258 ( 4.237 1.253 -1.692) 4.731 3.419 ( 3.328 -6.789 -2.284) 7.898 3.433 ( 2.612 -6.529 0.559) 7.054 3.525 ( 6.440 5.319 -1.470) 8.481 3.589 ( 6.895 -0.080 -1.421) 7.040 3.620 ( 5.290 3.716 0.052) 6.465 3.659 ( 2.884 1.084 -2.319) 3.856 3.735 ( -0.474 4.652 -0.544) 4.708 3.778 ( 6.796 0.021 -1.176) 6.897 3.941 ( 2.491 -3.682 2.852) 5.282 3.973 ( -3.852 -5.564 1.686) 6.974 4.085 ( 4.696 3.471 -3.401) 6.757 4.127 ( 1.073 0.369 -1.965) 2.269 4.393 ( 3.997 2.163 2.772) 5.324 4.424 ( 1.428 3.186 3.838) 5.189 4.490 ( -3.238 1.134 1.596) 3.784 4.507 ( -4.972 -1.011 2.449) 5.634 4.557 ( 6.962 -0.752 -1.258) 7.114 4.615 ( 0.804 -4.273 -3.661) 5.684 4.726 ( 1.569 -1.041 1.757) 2.576 4.787 ( -2.936 -6.188 0.949) 6.914 4.805 ( -1.274 3.005 -5.476) 6.375 4.875 ( -5.347 -3.334 -4.204) 7.575 4.956 ( -0.384 0.017 0.946) 1.021 4.982 ( -1.873 -0.785 -0.867) 2.208 5.199 ( 2.086 2.138 1.016) 3.156 5.227 ( 0.637 0.840 0.107) 1.060 5.245 ( -3.515 0.567 7.592) 8.385 5.309 ( -9.228 -3.972 3.526) 10.647 5.445 ( 2.114 1.849 -3.348) 4.370 5.504 ( -2.424 -2.920 1.244) 3.993 5.591 ( 1.476 3.758 0.595) 4.081 5.594 ( 1.240 4.271 1.582) 4.720 5.709 ( 2.616 0.765 -0.314) 2.743 5.732 ( 0.429 -1.363 0.211) 1.444 5.765 ( 4.654 2.244 -1.667) 5.429 5.788 ( 2.062 -0.729 -1.324) 2.556 5.862 ( 7.146 2.235 4.203) 8.586 5.905 ( 2.970 -2.158 3.552) 5.109 5.952 ( 0.054 -0.536 -1.376) 1.478 5.985 ( -3.189 -2.742 -3.204) 5.287 6.080 ( 2.301 2.736 3.492) 4.997 6.149 ( -2.619 -3.735 2.018) 4.988 6.226 ( 3.133 0.166 3.834) 4.954 6.235 ( 1.336 0.023 2.761) 3.067 6.370 ( -1.147 2.686 5.262) 6.019 6.397 ( -3.529 -0.176 2.666) 4.426 6.547 ( 5.374 2.762 -0.428) 6.057 6.610 ( 2.418 -1.534 -2.929) 4.097 6.639 ( 2.507 2.500 -2.280) 4.211 6.699 ( -0.529 -2.428 -3.386) 4.200 6.859 ( 3.362 2.920 1.525) 4.707 6.866 ( 2.934 1.576 1.271) 3.565 7.009 ( 7.033 5.155 4.115) 9.642 7.037 ( 4.256 2.686 3.004) 5.862 7.154 ( 6.594 7.032 3.089) 10.123 7.183 ( 8.076 3.328 -0.623) 8.757 7.273 ( 0.957 0.218 3.402) 3.541 7.282 ( -4.247 1.503 5.338) 6.985 7.325 ( 0.843 4.252 0.383) 4.352 7.368 ( 1.345 -0.941 -1.559) 2.264 7.446 ( -6.060 0.785 -4.680) 7.697 7.472 ( -4.738 -2.111 -4.083) 6.601 7.590 ( 3.776 1.262 -0.427) 4.004 7.663 ( -2.090 -4.412 -1.654) 5.155 7.691 ( -2.712 2.939 -8.322) 9.233 7.752 ( -2.078 -1.231 -5.137) 5.677 7.891 ( -1.234 2.963 1.789) 3.675 7.942 ( -6.598 -3.433 1.758) 7.642 8.007 ( -1.263 2.288 3.391) 4.281 8.048 ( -5.333 -0.790 3.156) 6.247 8.165 ( 0.243 2.047 3.384) 3.962 8.195 ( -2.537 0.363 1.104) 2.790 8.576 ( -0.988 -0.997 -2.416) 2.794 8.601 ( -3.555 -3.184 -3.994) 6.223 8.876 ( -2.717 -1.265 6.000) 6.707 8.901 ( -4.904 -3.513 5.241) 7.991 9.067 ( 9.483 4.694 3.255) 11.070 9.107 ( 4.283 2.038 2.289) 5.267 9.229 ( 7.396 0.860 2.276) 7.786 9.280 ( 7.297 -4.851 -1.925) 8.972 9.378 ( -4.427 2.030 6.477) 8.104 9.436 ( -8.882 -2.944 3.331) 9.932 9.497 ( 2.346 -0.850 -3.402) 4.219 9.563 ( -0.727 -7.054 3.175) 7.769 9.684 ( -1.017 3.572 -2.573) 4.518 9.728 ( -3.706 0.286 -0.230) 3.724 9.831 ( 0.455 2.597 -3.739) 4.575 9.849 ( -1.960 -0.612 -3.411) 3.981 9.923 ( 0.647 -5.663 -8.890) 10.561 9.961 ( -1.680 -6.205 -7.848) 10.144 10.292 ( 1.572 2.221 -1.969) 3.358 10.364 ( -5.880 -3.056 4.045) 7.764 10.637 ( 18.683 3.674 4.589) 19.586 10.668 ( 18.678 -1.094 2.618) 18.892 10.864 ( 6.689 4.816 -3.520) 8.962 10.895 ( 2.113 1.912 0.093) 2.852 11.045 ( -0.220 9.522 3.127) 10.024 11.171 ( -2.358 0.771 -5.118) 5.687 11.215 ( -6.846 13.846 -3.177) 15.770 11.342 ( -8.069 4.148 -4.583) 10.164 11.748 ( 0.459 -3.529 2.140) 4.153 11.797 ( -4.459 -5.783 -3.572) 8.129 11.888 ( -3.945 -12.331 2.549) 13.195 11.940 ( -9.861 -12.828 -0.691) 16.195 16.586 ( 0.565 1.152 -0.080) 1.286 16.592 ( -0.009 1.014 -0.129) 1.022 16.606 ( 0.787 0.069 0.006) 0.790 16.615 ( -0.077 -0.245 -0.112) 0.280 16.646 ( 1.033 0.554 0.601) 1.318 16.655 ( 0.123 0.503 0.345) 0.622 16.667 ( 0.652 -1.488 0.442) 1.684 16.673 ( 0.124 -1.334 0.408) 1.401 16.823 ( 0.456 0.242 0.210) 0.557 16.827 ( 0.124 -0.125 -0.120) 0.213 16.907 ( -0.175 -0.022 0.050) 0.183 16.908 ( -0.260 -0.092 0.187) 0.333 16.924 ( 0.128 -0.223 -0.020) 0.258 16.926 ( -0.122 -0.448 -0.170) 0.495 16.943 ( 0.240 -0.202 -0.199) 0.371 16.945 ( 0.084 -0.413 -0.404) 0.583 17.083 ( 0.110 1.267 0.106) 1.276 17.090 ( -0.575 0.972 -0.535) 1.250 17.112 ( 0.155 -0.883 0.006) 0.896 17.117 ( -0.317 -0.928 -0.447) 1.078 17.194 ( 0.313 0.586 0.445) 0.800 17.200 ( -0.229 0.502 0.024) 0.553 17.207 ( 0.329 -0.359 0.308) 0.576 17.213 ( -0.304 -0.547 -0.211) 0.660 32.506 ( -0.474 -0.459 -0.671) 0.941 32.518 ( -1.610 -1.680 -0.428) 2.366 32.544 ( -0.464 -0.106 -1.410) 1.488 32.560 ( -1.883 -1.690 -1.494) 2.938 32.762 ( 0.943 1.189 0.117) 1.522 32.766 ( 0.666 0.886 0.049) 1.109 32.832 ( -1.052 1.597 0.582) 1.999 32.835 ( -1.238 1.371 0.374) 1.884 32.920 ( 1.006 0.625 1.644) 2.026 32.934 ( 0.585 -0.500 0.135) 0.781 32.953 ( -1.190 0.107 1.699) 2.077 32.969 ( -1.800 -1.156 0.004) 2.139 51.544 ( -1.144 0.555 -0.066) 1.273 51.558 ( -1.883 0.073 -1.101) 2.183 51.600 ( -1.657 -2.428 -1.301) 3.215 51.636 ( -4.568 -4.776 -3.411) 7.438 52.099 ( 1.909 8.082 5.834) 10.149 52.139 ( -2.164 8.522 6.292) 10.812 52.191 ( 2.299 -0.496 1.028) 2.566 52.240 ( -2.632 -0.843 -0.579) 2.824 53.280 ( 5.559 6.961 3.537) 9.585 53.336 ( -0.064 6.828 -1.356) 6.961 53.461 ( 5.385 -10.732 -3.343) 12.464 53.508 ( 0.649 -9.988 -7.487) 12.499 =================== 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 3/28350 10.0 1523.637 898.470 827.279 0.000 0.000 0.000 3/28350 20.0 112.508 100.242 122.170 0.000 0.000 0.000 3/28350 30.0 31.938 25.129 29.368 0.000 0.000 0.000 3/28350 40.0 15.126 11.207 12.541 0.000 0.000 0.000 3/28350 50.0 9.134 6.589 7.176 0.000 0.000 0.000 3/28350 60.0 6.334 4.517 4.841 0.000 0.000 0.000 3/28350 70.0 4.793 3.403 3.613 0.000 0.000 0.000 3/28350 80.0 3.846 2.730 2.881 0.000 0.000 0.000 3/28350 90.0 3.218 2.287 2.405 0.000 0.000 0.000 3/28350 100.0 2.774 1.977 2.073 0.000 0.000 0.000 3/28350 110.0 2.445 1.749 1.831 0.000 0.000 0.000 3/28350 120.0 2.192 1.575 1.646 0.000 0.000 0.000 3/28350 130.0 1.992 1.437 1.499 0.000 0.000 0.000 3/28350 140.0 1.829 1.325 1.381 0.000 0.000 0.000 3/28350 150.0 1.693 1.232 1.282 0.000 0.000 0.000 3/28350 160.0 1.578 1.153 1.199 0.000 0.000 0.000 3/28350 170.0 1.479 1.085 1.127 0.000 0.000 0.000 3/28350 180.0 1.393 1.026 1.065 0.000 0.000 0.000 3/28350 190.0 1.317 0.973 1.009 0.000 0.000 0.000 3/28350 200.0 1.250 0.927 0.960 0.000 0.000 0.000 3/28350 210.0 1.190 0.885 0.916 0.000 0.000 0.000 3/28350 220.0 1.135 0.847 0.876 0.000 0.000 0.000 3/28350 230.0 1.086 0.812 0.839 0.000 0.000 0.000 3/28350 240.0 1.041 0.780 0.806 0.000 0.000 0.000 3/28350 250.0 1.000 0.751 0.775 0.000 0.000 0.000 3/28350 260.0 0.962 0.724 0.747 0.000 0.000 0.000 3/28350 270.0 0.927 0.700 0.721 0.000 0.000 0.000 3/28350 280.0 0.894 0.676 0.697 0.000 0.000 0.000 3/28350 290.0 0.864 0.655 0.675 0.000 0.000 0.000 3/28350 300.0 0.836 0.635 0.654 0.000 0.000 0.000 3/28350 310.0 0.810 0.616 0.634 0.000 0.000 0.000 3/28350 320.0 0.786 0.599 0.616 0.000 0.000 0.000 3/28350 330.0 0.763 0.582 0.598 0.000 0.000 0.000 3/28350 340.0 0.741 0.566 0.582 0.000 0.000 0.000 3/28350 350.0 0.721 0.552 0.567 0.000 0.000 0.000 3/28350 360.0 0.701 0.538 0.552 0.000 0.000 0.000 3/28350 370.0 0.683 0.525 0.538 0.000 0.000 0.000 3/28350 380.0 0.666 0.512 0.525 0.000 0.000 0.000 3/28350 390.0 0.650 0.501 0.513 0.000 0.000 0.000 3/28350 400.0 0.634 0.489 0.501 0.000 0.000 0.000 3/28350 410.0 0.620 0.479 0.490 0.000 0.000 0.000 3/28350 420.0 0.606 0.469 0.480 0.000 0.000 0.000 3/28350 430.0 0.592 0.459 0.469 0.000 0.000 0.000 3/28350 440.0 0.580 0.450 0.460 0.000 0.000 0.000 3/28350 450.0 0.567 0.441 0.450 0.000 0.000 0.000 3/28350 460.0 0.556 0.433 0.442 0.000 0.000 0.000 3/28350 470.0 0.545 0.425 0.433 0.000 0.000 0.000 3/28350 480.0 0.534 0.417 0.425 0.000 0.000 0.000 3/28350 490.0 0.524 0.409 0.417 0.000 0.000 0.000 3/28350 500.0 0.514 0.402 0.410 0.000 0.000 0.000 3/28350 510.0 0.505 0.396 0.403 0.000 0.000 0.000 3/28350 520.0 0.496 0.389 0.396 0.000 0.000 0.000 3/28350 530.0 0.487 0.383 0.389 0.000 0.000 0.000 3/28350 540.0 0.479 0.377 0.383 0.000 0.000 0.000 3/28350 550.0 0.470 0.371 0.377 0.000 0.000 0.000 3/28350 560.0 0.463 0.365 0.371 0.000 0.000 0.000 3/28350 570.0 0.455 0.360 0.365 0.000 0.000 0.000 3/28350 580.0 0.448 0.355 0.359 0.000 0.000 0.000 3/28350 590.0 0.441 0.349 0.354 0.000 0.000 0.000 3/28350 600.0 0.434 0.345 0.349 0.000 0.000 0.000 3/28350 610.0 0.428 0.340 0.344 0.000 0.000 0.000 3/28350 620.0 0.421 0.335 0.339 0.000 0.000 0.000 3/28350 630.0 0.415 0.331 0.334 0.000 0.000 0.000 3/28350 640.0 0.409 0.327 0.330 0.000 0.000 0.000 3/28350 650.0 0.404 0.322 0.325 0.000 0.000 0.000 3/28350 660.0 0.398 0.318 0.321 0.000 0.000 0.000 3/28350 670.0 0.393 0.314 0.317 0.000 0.000 0.000 3/28350 680.0 0.387 0.311 0.313 0.000 0.000 0.000 3/28350 690.0 0.382 0.307 0.309 0.000 0.000 0.000 3/28350 700.0 0.377 0.303 0.305 0.000 0.000 0.000 3/28350 710.0 0.372 0.300 0.302 0.000 0.000 0.000 3/28350 720.0 0.368 0.296 0.298 0.000 0.000 0.000 3/28350 730.0 0.363 0.293 0.294 0.000 0.000 0.000 3/28350 740.0 0.359 0.290 0.291 0.000 0.000 0.000 3/28350 750.0 0.354 0.287 0.288 0.000 0.000 0.000 3/28350 760.0 0.350 0.284 0.285 0.000 0.000 0.000 3/28350 770.0 0.346 0.281 0.281 0.000 0.000 0.000 3/28350 780.0 0.342 0.278 0.278 0.000 0.000 0.000 3/28350 790.0 0.338 0.275 0.275 0.000 0.000 0.000 3/28350 800.0 0.334 0.272 0.272 0.000 0.000 0.000 3/28350 810.0 0.331 0.270 0.270 0.000 0.000 0.000 3/28350 820.0 0.327 0.267 0.267 0.000 0.000 0.000 3/28350 830.0 0.324 0.265 0.264 0.000 0.000 0.000 3/28350 840.0 0.320 0.262 0.261 0.000 0.000 0.000 3/28350 850.0 0.317 0.260 0.259 0.000 0.000 0.000 3/28350 860.0 0.314 0.257 0.256 0.000 0.000 0.000 3/28350 870.0 0.310 0.255 0.254 0.000 0.000 0.000 3/28350 880.0 0.307 0.253 0.251 0.000 0.000 0.000 3/28350 890.0 0.304 0.250 0.249 0.000 0.000 0.000 3/28350 900.0 0.301 0.248 0.247 0.000 0.000 0.000 3/28350 910.0 0.298 0.246 0.245 0.000 0.000 0.000 3/28350 920.0 0.295 0.244 0.242 0.000 0.000 0.000 3/28350 930.0 0.293 0.242 0.240 0.000 0.000 0.000 3/28350 940.0 0.290 0.240 0.238 0.000 0.000 0.000 3/28350 950.0 0.287 0.238 0.236 0.000 0.000 0.000 3/28350 960.0 0.284 0.236 0.234 0.000 0.000 0.000 3/28350 970.0 0.282 0.234 0.232 0.000 0.000 0.000 3/28350 980.0 0.279 0.232 0.230 0.000 0.000 0.000 3/28350 990.0 0.277 0.231 0.228 0.000 0.000 0.000 3/28350 1000.0 0.274 0.229 0.226 0.000 0.000 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:14:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|