----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:49:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.084260889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623416620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): *1 H 0.95949382059817 0.25000000000000 0.10457973350615 1.008 2 H 0.04050617940183 0.75000000000000 0.89542026649385 1.008 3 H 0.45949382059817 0.25000000000000 0.39542026649385 1.008 4 H 0.54050617940183 0.75000000000000 0.60457973350615 1.008 *5 B 0.73503951933304 0.25000000000000 0.82379675253680 10.811 6 B 0.26496048066696 0.75000000000000 0.17620324746320 10.811 7 B 0.23503951933304 0.25000000000000 0.67620324746320 10.811 8 B 0.76496048066696 0.75000000000000 0.32379675253680 10.811 *9 N 0.67752944092083 0.75000000000000 0.21604572434060 14.007 10 N 0.32247055907917 0.25000000000000 0.78395427565940 14.007 11 N 0.17752944092083 0.75000000000000 0.28395427565940 14.007 12 N 0.82247055907917 0.25000000000000 0.71604572434060 14.007 *13 N 0.84750775212208 0.75000000000000 0.43757159400795 14.007 14 N 0.15249224787792 0.25000000000000 0.56242840599205 14.007 15 N 0.34750775212208 0.75000000000000 0.06242840599205 14.007 16 N 0.65249224787792 0.25000000000000 0.93757159400795 14.007 *17 Ca 0.67699982713224 0.25000000000000 0.52445692561647 40.078 18 Ca 0.32300017286776 0.75000000000000 0.47554307438353 40.078 19 Ca 0.17699982713224 0.25000000000000 0.97554307438353 40.078 20 Ca 0.82300017286776 0.75000000000000 0.02445692561647 40.078 *21 Ca 0.52529846438552 0.25000000000000 0.15531141872183 40.078 22 Ca 0.47470153561448 0.75000000000000 0.84468858127817 40.078 23 Ca 0.02529846438552 0.25000000000000 0.34468858127817 40.078 24 Ca 0.97470153561448 0.75000000000000 0.65531141872183 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.084260889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623416620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): *1 H 0.95949382059817 0.25000000000000 0.10457973350615 1.008 > 1 2 H 0.04050617940183 0.75000000000000 0.89542026649385 1.008 > 2 3 H 0.45949382059817 0.25000000000000 0.39542026649385 1.008 > 3 4 H 0.54050617940183 0.75000000000000 0.60457973350615 1.008 > 4 *5 B 0.73503951933304 0.25000000000000 0.82379675253680 10.811 > 5 6 B 0.26496048066696 0.75000000000000 0.17620324746320 10.811 > 6 7 B 0.23503951933304 0.25000000000000 0.67620324746320 10.811 > 7 8 B 0.76496048066696 0.75000000000000 0.32379675253680 10.811 > 8 *9 N 0.67752944092083 0.75000000000000 0.21604572434060 14.007 > 9 10 N 0.32247055907917 0.25000000000000 0.78395427565940 14.007 > 10 11 N 0.17752944092083 0.75000000000000 0.28395427565940 14.007 > 11 12 N 0.82247055907917 0.25000000000000 0.71604572434060 14.007 > 12 *13 N 0.84750775212208 0.75000000000000 0.43757159400795 14.007 > 13 14 N 0.15249224787792 0.25000000000000 0.56242840599205 14.007 > 14 15 N 0.34750775212208 0.75000000000000 0.06242840599205 14.007 > 15 16 N 0.65249224787792 0.25000000000000 0.93757159400795 14.007 > 16 *17 Ca 0.67699982713224 0.25000000000000 0.52445692561647 40.078 > 17 18 Ca 0.32300017286776 0.75000000000000 0.47554307438353 40.078 > 18 19 Ca 0.17699982713224 0.25000000000000 0.97554307438353 40.078 > 19 20 Ca 0.82300017286776 0.75000000000000 0.02445692561647 40.078 > 20 *21 Ca 0.52529846438552 0.25000000000000 0.15531141872183 40.078 > 21 22 Ca 0.47470153561448 0.75000000000000 0.84468858127817 40.078 > 22 23 Ca 0.02529846438552 0.25000000000000 0.34468858127817 40.078 > 23 24 Ca 0.97470153561448 0.75000000000000 0.65531141872183 40.078 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.168521779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870249860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): *1 H 0.47974691029908 0.08333333333333 0.10457973350615 1.008 > 1 2 H 0.97974691029908 0.08333333333333 0.10457973350615 1.008 > 1 3 H 0.47974691029908 0.41666666666667 0.10457973350615 1.008 > 1 4 H 0.97974691029908 0.41666666666667 0.10457973350615 1.008 > 1 5 H 0.47974691029908 0.75000000000000 0.10457973350615 1.008 > 1 6 H 0.97974691029908 0.75000000000000 0.10457973350615 1.008 > 1 7 H 0.02025308970092 0.25000000000000 0.89542026649385 1.008 > 2 8 H 0.52025308970092 0.25000000000000 0.89542026649385 1.008 > 2 9 H 0.02025308970092 0.58333333333333 0.89542026649385 1.008 > 2 10 H 0.52025308970092 0.58333333333333 0.89542026649385 1.008 > 2 11 H 0.02025308970092 0.91666666666667 0.89542026649385 1.008 > 2 12 H 0.52025308970092 0.91666666666667 0.89542026649385 1.008 > 2 13 H 0.22974691029908 0.08333333333333 0.39542026649385 1.008 > 3 14 H 0.72974691029908 0.08333333333333 0.39542026649385 1.008 > 3 15 H 0.22974691029908 0.41666666666667 0.39542026649385 1.008 > 3 16 H 0.72974691029908 0.41666666666667 0.39542026649385 1.008 > 3 17 H 0.22974691029908 0.75000000000000 0.39542026649385 1.008 > 3 18 H 0.72974691029908 0.75000000000000 0.39542026649385 1.008 > 3 19 H 0.27025308970092 0.25000000000000 0.60457973350615 1.008 > 4 20 H 0.77025308970092 0.25000000000000 0.60457973350615 1.008 > 4 21 H 0.27025308970092 0.58333333333333 0.60457973350615 1.008 > 4 22 H 0.77025308970092 0.58333333333333 0.60457973350615 1.008 > 4 23 H 0.27025308970092 0.91666666666667 0.60457973350615 1.008 > 4 24 H 0.77025308970092 0.91666666666667 0.60457973350615 1.008 > 4 *25 B 0.36751975966652 0.08333333333333 0.82379675253680 10.811 > 5 26 B 0.86751975966652 0.08333333333333 0.82379675253680 10.811 > 5 27 B 0.36751975966652 0.41666666666667 0.82379675253680 10.811 > 5 28 B 0.86751975966652 0.41666666666667 0.82379675253680 10.811 > 5 29 B 0.36751975966652 0.75000000000000 0.82379675253680 10.811 > 5 30 B 0.86751975966652 0.75000000000000 0.82379675253680 10.811 > 5 31 B 0.13248024033348 0.25000000000000 0.17620324746320 10.811 > 6 32 B 0.63248024033348 0.25000000000000 0.17620324746320 10.811 > 6 33 B 0.13248024033348 0.58333333333333 0.17620324746320 10.811 > 6 34 B 0.63248024033348 0.58333333333333 0.17620324746320 10.811 > 6 35 B 0.13248024033348 0.91666666666667 0.17620324746320 10.811 > 6 36 B 0.63248024033348 0.91666666666667 0.17620324746320 10.811 > 6 37 B 0.11751975966652 0.08333333333333 0.67620324746320 10.811 > 7 38 B 0.61751975966652 0.08333333333333 0.67620324746320 10.811 > 7 39 B 0.11751975966652 0.41666666666667 0.67620324746320 10.811 > 7 40 B 0.61751975966652 0.41666666666667 0.67620324746320 10.811 > 7 41 B 0.11751975966652 0.75000000000000 0.67620324746320 10.811 > 7 42 B 0.61751975966652 0.75000000000000 0.67620324746320 10.811 > 7 43 B 0.38248024033348 0.25000000000000 0.32379675253680 10.811 > 8 44 B 0.88248024033348 0.25000000000000 0.32379675253680 10.811 > 8 45 B 0.38248024033348 0.58333333333333 0.32379675253680 10.811 > 8 46 B 0.88248024033348 0.58333333333333 0.32379675253680 10.811 > 8 47 B 0.38248024033348 0.91666666666667 0.32379675253680 10.811 > 8 48 B 0.88248024033348 0.91666666666667 0.32379675253680 10.811 > 8 *49 N 0.33876472046042 0.25000000000000 0.21604572434060 14.007 > 9 50 N 0.83876472046042 0.25000000000000 0.21604572434060 14.007 > 9 51 N 0.33876472046042 0.58333333333333 0.21604572434060 14.007 > 9 52 N 0.83876472046042 0.58333333333333 0.21604572434060 14.007 > 9 53 N 0.33876472046042 0.91666666666667 0.21604572434060 14.007 > 9 54 N 0.83876472046042 0.91666666666667 0.21604572434060 14.007 > 9 55 N 0.16123527953958 0.08333333333333 0.78395427565940 14.007 > 10 56 N 0.66123527953958 0.08333333333333 0.78395427565940 14.007 > 10 57 N 0.16123527953958 0.41666666666667 0.78395427565940 14.007 > 10 58 N 0.66123527953958 0.41666666666667 0.78395427565940 14.007 > 10 59 N 0.16123527953958 0.75000000000000 0.78395427565940 14.007 > 10 60 N 0.66123527953958 0.75000000000000 0.78395427565940 14.007 > 10 61 N 0.08876472046042 0.25000000000000 0.28395427565940 14.007 > 11 62 N 0.58876472046042 0.25000000000000 0.28395427565940 14.007 > 11 63 N 0.08876472046042 0.58333333333333 0.28395427565940 14.007 > 11 64 N 0.58876472046042 0.58333333333333 0.28395427565940 14.007 > 11 65 N 0.08876472046042 0.91666666666667 0.28395427565940 14.007 > 11 66 N 0.58876472046042 0.91666666666667 0.28395427565940 14.007 > 11 67 N 0.41123527953958 0.08333333333333 0.71604572434060 14.007 > 12 68 N 0.91123527953958 0.08333333333333 0.71604572434060 14.007 > 12 69 N 0.41123527953958 0.41666666666667 0.71604572434060 14.007 > 12 70 N 0.91123527953958 0.41666666666667 0.71604572434060 14.007 > 12 71 N 0.41123527953958 0.75000000000000 0.71604572434060 14.007 > 12 72 N 0.91123527953958 0.75000000000000 0.71604572434060 14.007 > 12 *73 N 0.42375387606104 0.25000000000000 0.43757159400795 14.007 > 13 74 N 0.92375387606104 0.25000000000000 0.43757159400795 14.007 > 13 75 N 0.42375387606104 0.58333333333333 0.43757159400795 14.007 > 13 76 N 0.92375387606104 0.58333333333333 0.43757159400795 14.007 > 13 77 N 0.42375387606104 0.91666666666667 0.43757159400795 14.007 > 13 78 N 0.92375387606104 0.91666666666667 0.43757159400795 14.007 > 13 79 N 0.07624612393896 0.08333333333333 0.56242840599205 14.007 > 14 80 N 0.57624612393896 0.08333333333333 0.56242840599205 14.007 > 14 81 N 0.07624612393896 0.41666666666667 0.56242840599205 14.007 > 14 82 N 0.57624612393896 0.41666666666667 0.56242840599205 14.007 > 14 83 N 0.07624612393896 0.75000000000000 0.56242840599205 14.007 > 14 84 N 0.57624612393896 0.75000000000000 0.56242840599205 14.007 > 14 85 N 0.17375387606104 0.25000000000000 0.06242840599205 14.007 > 15 86 N 0.67375387606104 0.25000000000000 0.06242840599205 14.007 > 15 87 N 0.17375387606104 0.58333333333333 0.06242840599205 14.007 > 15 88 N 0.67375387606104 0.58333333333333 0.06242840599205 14.007 > 15 89 N 0.17375387606104 0.91666666666667 0.06242840599205 14.007 > 15 90 N 0.67375387606104 0.91666666666667 0.06242840599205 14.007 > 15 91 N 0.32624612393896 0.08333333333333 0.93757159400795 14.007 > 16 92 N 0.82624612393896 0.08333333333333 0.93757159400795 14.007 > 16 93 N 0.32624612393896 0.41666666666667 0.93757159400795 14.007 > 16 94 N 0.82624612393896 0.41666666666667 0.93757159400795 14.007 > 16 95 N 0.32624612393896 0.75000000000000 0.93757159400795 14.007 > 16 96 N 0.82624612393896 0.75000000000000 0.93757159400795 14.007 > 16 *97 Ca 0.33849991356612 0.08333333333333 0.52445692561647 40.078 > 17 98 Ca 0.83849991356612 0.08333333333333 0.52445692561647 40.078 > 17 99 Ca 0.33849991356612 0.41666666666667 0.52445692561647 40.078 > 17 100 Ca 0.83849991356612 0.41666666666667 0.52445692561647 40.078 > 17 101 Ca 0.33849991356612 0.75000000000000 0.52445692561647 40.078 > 17 102 Ca 0.83849991356612 0.75000000000000 0.52445692561647 40.078 > 17 103 Ca 0.16150008643388 0.25000000000000 0.47554307438353 40.078 > 18 104 Ca 0.66150008643388 0.25000000000000 0.47554307438353 40.078 > 18 105 Ca 0.16150008643388 0.58333333333333 0.47554307438353 40.078 > 18 106 Ca 0.66150008643388 0.58333333333333 0.47554307438353 40.078 > 18 107 Ca 0.16150008643388 0.91666666666667 0.47554307438353 40.078 > 18 108 Ca 0.66150008643388 0.91666666666667 0.47554307438353 40.078 > 18 109 Ca 0.08849991356612 0.08333333333333 0.97554307438353 40.078 > 19 110 Ca 0.58849991356612 0.08333333333333 0.97554307438353 40.078 > 19 111 Ca 0.08849991356612 0.41666666666667 0.97554307438353 40.078 > 19 112 Ca 0.58849991356612 0.41666666666667 0.97554307438353 40.078 > 19 113 Ca 0.08849991356612 0.75000000000000 0.97554307438353 40.078 > 19 114 Ca 0.58849991356612 0.75000000000000 0.97554307438353 40.078 > 19 115 Ca 0.41150008643388 0.25000000000000 0.02445692561647 40.078 > 20 116 Ca 0.91150008643388 0.25000000000000 0.02445692561647 40.078 > 20 117 Ca 0.41150008643388 0.58333333333333 0.02445692561647 40.078 > 20 118 Ca 0.91150008643388 0.58333333333333 0.02445692561647 40.078 > 20 119 Ca 0.41150008643388 0.91666666666667 0.02445692561647 40.078 > 20 120 Ca 0.91150008643388 0.91666666666667 0.02445692561647 40.078 > 20 *121 Ca 0.26264923219276 0.08333333333333 0.15531141872183 40.078 > 21 122 Ca 0.76264923219276 0.08333333333333 0.15531141872183 40.078 > 21 123 Ca 0.26264923219276 0.41666666666667 0.15531141872183 40.078 > 21 124 Ca 0.76264923219276 0.41666666666667 0.15531141872183 40.078 > 21 125 Ca 0.26264923219276 0.75000000000000 0.15531141872183 40.078 > 21 126 Ca 0.76264923219276 0.75000000000000 0.15531141872183 40.078 > 21 127 Ca 0.23735076780724 0.25000000000000 0.84468858127817 40.078 > 22 128 Ca 0.73735076780724 0.25000000000000 0.84468858127817 40.078 > 22 129 Ca 0.23735076780724 0.58333333333333 0.84468858127817 40.078 > 22 130 Ca 0.73735076780724 0.58333333333333 0.84468858127817 40.078 > 22 131 Ca 0.23735076780724 0.91666666666667 0.84468858127817 40.078 > 22 132 Ca 0.73735076780724 0.91666666666667 0.84468858127817 40.078 > 22 133 Ca 0.01264923219276 0.08333333333333 0.34468858127817 40.078 > 23 134 Ca 0.51264923219276 0.08333333333333 0.34468858127817 40.078 > 23 135 Ca 0.01264923219276 0.41666666666667 0.34468858127817 40.078 > 23 136 Ca 0.51264923219276 0.41666666666667 0.34468858127817 40.078 > 23 137 Ca 0.01264923219276 0.75000000000000 0.34468858127817 40.078 > 23 138 Ca 0.51264923219276 0.75000000000000 0.34468858127817 40.078 > 23 139 Ca 0.48735076780724 0.25000000000000 0.65531141872183 40.078 > 24 140 Ca 0.98735076780724 0.25000000000000 0.65531141872183 40.078 > 24 141 Ca 0.48735076780724 0.58333333333333 0.65531141872183 40.078 > 24 142 Ca 0.98735076780724 0.58333333333333 0.65531141872183 40.078 > 24 143 Ca 0.48735076780724 0.91666666666667 0.65531141872183 40.078 > 24 144 Ca 0.98735076780724 0.91666666666667 0.65531141872183 40.078 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2191386 0.0000000 0.0000000 0.0000000 3.9776137 0.0000000 0.0000000 0.0000000 4.7945259 -------------------------- Born effective charges -------------------------- 1 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 2 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 3 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 4 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 5 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 6 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 7 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 8 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 9 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 10 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 11 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 12 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 13 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 14 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 15 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 16 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 17 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 18 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 19 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 20 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 21 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 22 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 23 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 24 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.732 Solver_block: 200 / 400 - Time: 0.677 Solver_block: 300 / 400 - Time: 0.669 Solver_block: 400 / 400 - Time: 0.672 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.826 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 05:49:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:49:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.084260889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623416620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): 1 H 0.95949382059817 0.25000000000000 0.10457973350615 1.008 2 H 0.04050617940183 0.75000000000000 0.89542026649385 1.008 3 H 0.45949382059817 0.25000000000000 0.39542026649385 1.008 4 H 0.54050617940183 0.75000000000000 0.60457973350615 1.008 5 B 0.73503951933304 0.25000000000000 0.82379675253680 10.811 6 B 0.26496048066696 0.75000000000000 0.17620324746320 10.811 7 B 0.23503951933304 0.25000000000000 0.67620324746320 10.811 8 B 0.76496048066696 0.75000000000000 0.32379675253680 10.811 9 N 0.67752944092083 0.75000000000000 0.21604572434060 14.007 10 N 0.32247055907917 0.25000000000000 0.78395427565940 14.007 11 N 0.17752944092083 0.75000000000000 0.28395427565940 14.007 12 N 0.82247055907917 0.25000000000000 0.71604572434060 14.007 13 N 0.84750775212208 0.75000000000000 0.43757159400795 14.007 14 N 0.15249224787792 0.25000000000000 0.56242840599205 14.007 15 N 0.34750775212208 0.75000000000000 0.06242840599205 14.007 16 N 0.65249224787792 0.25000000000000 0.93757159400795 14.007 17 Ca 0.67699982713224 0.25000000000000 0.52445692561647 40.078 18 Ca 0.32300017286776 0.75000000000000 0.47554307438353 40.078 19 Ca 0.17699982713224 0.25000000000000 0.97554307438353 40.078 20 Ca 0.82300017286776 0.75000000000000 0.02445692561647 40.078 21 Ca 0.52529846438552 0.25000000000000 0.15531141872183 40.078 22 Ca 0.47470153561448 0.75000000000000 0.84468858127817 40.078 23 Ca 0.02529846438552 0.25000000000000 0.34468858127817 40.078 24 Ca 0.97470153561448 0.75000000000000 0.65531141872183 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.168521779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870249860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): 1 H 0.47974691029908 0.08333333333333 0.10457973350615 1.008 > 1 2 H 0.97974691029908 0.08333333333333 0.10457973350615 1.008 > 1 3 H 0.47974691029908 0.41666666666667 0.10457973350615 1.008 > 1 4 H 0.97974691029908 0.41666666666667 0.10457973350615 1.008 > 1 5 H 0.47974691029908 0.75000000000000 0.10457973350615 1.008 > 1 6 H 0.97974691029908 0.75000000000000 0.10457973350615 1.008 > 1 7 H 0.02025308970092 0.25000000000000 0.89542026649385 1.008 > 7 8 H 0.52025308970092 0.25000000000000 0.89542026649385 1.008 > 7 9 H 0.02025308970092 0.58333333333333 0.89542026649385 1.008 > 7 10 H 0.52025308970092 0.58333333333333 0.89542026649385 1.008 > 7 11 H 0.02025308970092 0.91666666666667 0.89542026649385 1.008 > 7 12 H 0.52025308970092 0.91666666666667 0.89542026649385 1.008 > 7 13 H 0.22974691029908 0.08333333333333 0.39542026649385 1.008 > 13 14 H 0.72974691029908 0.08333333333333 0.39542026649385 1.008 > 13 15 H 0.22974691029908 0.41666666666667 0.39542026649385 1.008 > 13 16 H 0.72974691029908 0.41666666666667 0.39542026649385 1.008 > 13 17 H 0.22974691029908 0.75000000000000 0.39542026649385 1.008 > 13 18 H 0.72974691029908 0.75000000000000 0.39542026649385 1.008 > 13 19 H 0.27025308970092 0.25000000000000 0.60457973350615 1.008 > 19 20 H 0.77025308970092 0.25000000000000 0.60457973350615 1.008 > 19 21 H 0.27025308970092 0.58333333333333 0.60457973350615 1.008 > 19 22 H 0.77025308970092 0.58333333333333 0.60457973350615 1.008 > 19 23 H 0.27025308970092 0.91666666666667 0.60457973350615 1.008 > 19 24 H 0.77025308970092 0.91666666666667 0.60457973350615 1.008 > 19 25 B 0.36751975966652 0.08333333333333 0.82379675253680 10.811 > 25 26 B 0.86751975966652 0.08333333333333 0.82379675253680 10.811 > 25 27 B 0.36751975966652 0.41666666666667 0.82379675253680 10.811 > 25 28 B 0.86751975966652 0.41666666666667 0.82379675253680 10.811 > 25 29 B 0.36751975966652 0.75000000000000 0.82379675253680 10.811 > 25 30 B 0.86751975966652 0.75000000000000 0.82379675253680 10.811 > 25 31 B 0.13248024033348 0.25000000000000 0.17620324746320 10.811 > 31 32 B 0.63248024033348 0.25000000000000 0.17620324746320 10.811 > 31 33 B 0.13248024033348 0.58333333333333 0.17620324746320 10.811 > 31 34 B 0.63248024033348 0.58333333333333 0.17620324746320 10.811 > 31 35 B 0.13248024033348 0.91666666666667 0.17620324746320 10.811 > 31 36 B 0.63248024033348 0.91666666666667 0.17620324746320 10.811 > 31 37 B 0.11751975966652 0.08333333333333 0.67620324746320 10.811 > 37 38 B 0.61751975966652 0.08333333333333 0.67620324746320 10.811 > 37 39 B 0.11751975966652 0.41666666666667 0.67620324746320 10.811 > 37 40 B 0.61751975966652 0.41666666666667 0.67620324746320 10.811 > 37 41 B 0.11751975966652 0.75000000000000 0.67620324746320 10.811 > 37 42 B 0.61751975966652 0.75000000000000 0.67620324746320 10.811 > 37 43 B 0.38248024033348 0.25000000000000 0.32379675253680 10.811 > 43 44 B 0.88248024033348 0.25000000000000 0.32379675253680 10.811 > 43 45 B 0.38248024033348 0.58333333333333 0.32379675253680 10.811 > 43 46 B 0.88248024033348 0.58333333333333 0.32379675253680 10.811 > 43 47 B 0.38248024033348 0.91666666666667 0.32379675253680 10.811 > 43 48 B 0.88248024033348 0.91666666666667 0.32379675253680 10.811 > 43 49 N 0.33876472046042 0.25000000000000 0.21604572434060 14.007 > 49 50 N 0.83876472046042 0.25000000000000 0.21604572434060 14.007 > 49 51 N 0.33876472046042 0.58333333333333 0.21604572434060 14.007 > 49 52 N 0.83876472046042 0.58333333333333 0.21604572434060 14.007 > 49 53 N 0.33876472046042 0.91666666666667 0.21604572434060 14.007 > 49 54 N 0.83876472046042 0.91666666666667 0.21604572434060 14.007 > 49 55 N 0.16123527953958 0.08333333333333 0.78395427565940 14.007 > 55 56 N 0.66123527953958 0.08333333333333 0.78395427565940 14.007 > 55 57 N 0.16123527953958 0.41666666666667 0.78395427565940 14.007 > 55 58 N 0.66123527953958 0.41666666666667 0.78395427565940 14.007 > 55 59 N 0.16123527953958 0.75000000000000 0.78395427565940 14.007 > 55 60 N 0.66123527953958 0.75000000000000 0.78395427565940 14.007 > 55 61 N 0.08876472046042 0.25000000000000 0.28395427565940 14.007 > 61 62 N 0.58876472046042 0.25000000000000 0.28395427565940 14.007 > 61 63 N 0.08876472046042 0.58333333333333 0.28395427565940 14.007 > 61 64 N 0.58876472046042 0.58333333333333 0.28395427565940 14.007 > 61 65 N 0.08876472046042 0.91666666666667 0.28395427565940 14.007 > 61 66 N 0.58876472046042 0.91666666666667 0.28395427565940 14.007 > 61 67 N 0.41123527953958 0.08333333333333 0.71604572434060 14.007 > 67 68 N 0.91123527953958 0.08333333333333 0.71604572434060 14.007 > 67 69 N 0.41123527953958 0.41666666666667 0.71604572434060 14.007 > 67 70 N 0.91123527953958 0.41666666666667 0.71604572434060 14.007 > 67 71 N 0.41123527953958 0.75000000000000 0.71604572434060 14.007 > 67 72 N 0.91123527953958 0.75000000000000 0.71604572434060 14.007 > 67 73 N 0.42375387606104 0.25000000000000 0.43757159400795 14.007 > 73 74 N 0.92375387606104 0.25000000000000 0.43757159400795 14.007 > 73 75 N 0.42375387606104 0.58333333333333 0.43757159400795 14.007 > 73 76 N 0.92375387606104 0.58333333333333 0.43757159400795 14.007 > 73 77 N 0.42375387606104 0.91666666666667 0.43757159400795 14.007 > 73 78 N 0.92375387606104 0.91666666666667 0.43757159400795 14.007 > 73 79 N 0.07624612393896 0.08333333333333 0.56242840599205 14.007 > 79 80 N 0.57624612393896 0.08333333333333 0.56242840599205 14.007 > 79 81 N 0.07624612393896 0.41666666666667 0.56242840599205 14.007 > 79 82 N 0.57624612393896 0.41666666666667 0.56242840599205 14.007 > 79 83 N 0.07624612393896 0.75000000000000 0.56242840599205 14.007 > 79 84 N 0.57624612393896 0.75000000000000 0.56242840599205 14.007 > 79 85 N 0.17375387606104 0.25000000000000 0.06242840599205 14.007 > 85 86 N 0.67375387606104 0.25000000000000 0.06242840599205 14.007 > 85 87 N 0.17375387606104 0.58333333333333 0.06242840599205 14.007 > 85 88 N 0.67375387606104 0.58333333333333 0.06242840599205 14.007 > 85 89 N 0.17375387606104 0.91666666666667 0.06242840599205 14.007 > 85 90 N 0.67375387606104 0.91666666666667 0.06242840599205 14.007 > 85 91 N 0.32624612393896 0.08333333333333 0.93757159400795 14.007 > 91 92 N 0.82624612393896 0.08333333333333 0.93757159400795 14.007 > 91 93 N 0.32624612393896 0.41666666666667 0.93757159400795 14.007 > 91 94 N 0.82624612393896 0.41666666666667 0.93757159400795 14.007 > 91 95 N 0.32624612393896 0.75000000000000 0.93757159400795 14.007 > 91 96 N 0.82624612393896 0.75000000000000 0.93757159400795 14.007 > 91 97 Ca 0.33849991356612 0.08333333333333 0.52445692561647 40.078 > 97 98 Ca 0.83849991356612 0.08333333333333 0.52445692561647 40.078 > 97 99 Ca 0.33849991356612 0.41666666666667 0.52445692561647 40.078 > 97 100 Ca 0.83849991356612 0.41666666666667 0.52445692561647 40.078 > 97 101 Ca 0.33849991356612 0.75000000000000 0.52445692561647 40.078 > 97 102 Ca 0.83849991356612 0.75000000000000 0.52445692561647 40.078 > 97 103 Ca 0.16150008643388 0.25000000000000 0.47554307438353 40.078 > 103 104 Ca 0.66150008643388 0.25000000000000 0.47554307438353 40.078 > 103 105 Ca 0.16150008643388 0.58333333333333 0.47554307438353 40.078 > 103 106 Ca 0.66150008643388 0.58333333333333 0.47554307438353 40.078 > 103 107 Ca 0.16150008643388 0.91666666666667 0.47554307438353 40.078 > 103 108 Ca 0.66150008643388 0.91666666666667 0.47554307438353 40.078 > 103 109 Ca 0.08849991356612 0.08333333333333 0.97554307438353 40.078 > 109 110 Ca 0.58849991356612 0.08333333333333 0.97554307438353 40.078 > 109 111 Ca 0.08849991356612 0.41666666666667 0.97554307438353 40.078 > 109 112 Ca 0.58849991356612 0.41666666666667 0.97554307438353 40.078 > 109 113 Ca 0.08849991356612 0.75000000000000 0.97554307438353 40.078 > 109 114 Ca 0.58849991356612 0.75000000000000 0.97554307438353 40.078 > 109 115 Ca 0.41150008643388 0.25000000000000 0.02445692561647 40.078 > 115 116 Ca 0.91150008643388 0.25000000000000 0.02445692561647 40.078 > 115 117 Ca 0.41150008643388 0.58333333333333 0.02445692561647 40.078 > 115 118 Ca 0.91150008643388 0.58333333333333 0.02445692561647 40.078 > 115 119 Ca 0.41150008643388 0.91666666666667 0.02445692561647 40.078 > 115 120 Ca 0.91150008643388 0.91666666666667 0.02445692561647 40.078 > 115 121 Ca 0.26264923219276 0.08333333333333 0.15531141872183 40.078 > 121 122 Ca 0.76264923219276 0.08333333333333 0.15531141872183 40.078 > 121 123 Ca 0.26264923219276 0.41666666666667 0.15531141872183 40.078 > 121 124 Ca 0.76264923219276 0.41666666666667 0.15531141872183 40.078 > 121 125 Ca 0.26264923219276 0.75000000000000 0.15531141872183 40.078 > 121 126 Ca 0.76264923219276 0.75000000000000 0.15531141872183 40.078 > 121 127 Ca 0.23735076780724 0.25000000000000 0.84468858127817 40.078 > 127 128 Ca 0.73735076780724 0.25000000000000 0.84468858127817 40.078 > 127 129 Ca 0.23735076780724 0.58333333333333 0.84468858127817 40.078 > 127 130 Ca 0.73735076780724 0.58333333333333 0.84468858127817 40.078 > 127 131 Ca 0.23735076780724 0.91666666666667 0.84468858127817 40.078 > 127 132 Ca 0.73735076780724 0.91666666666667 0.84468858127817 40.078 > 127 133 Ca 0.01264923219276 0.08333333333333 0.34468858127817 40.078 > 133 134 Ca 0.51264923219276 0.08333333333333 0.34468858127817 40.078 > 133 135 Ca 0.01264923219276 0.41666666666667 0.34468858127817 40.078 > 133 136 Ca 0.51264923219276 0.41666666666667 0.34468858127817 40.078 > 133 137 Ca 0.01264923219276 0.75000000000000 0.34468858127817 40.078 > 133 138 Ca 0.51264923219276 0.75000000000000 0.34468858127817 40.078 > 133 139 Ca 0.48735076780724 0.25000000000000 0.65531141872183 40.078 > 139 140 Ca 0.98735076780724 0.25000000000000 0.65531141872183 40.078 > 139 141 Ca 0.48735076780724 0.58333333333333 0.65531141872183 40.078 > 139 142 Ca 0.98735076780724 0.58333333333333 0.65531141872183 40.078 > 139 143 Ca 0.48735076780724 0.91666666666667 0.65531141872183 40.078 > 139 144 Ca 0.98735076780724 0.91666666666667 0.65531141872183 40.078 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2191386 0.0000000 0.0000000 0.0000000 3.9776137 0.0000000 0.0000000 0.0000000 4.7945259 -------------------------- Born effective charges -------------------------- 1 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 2 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 3 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 4 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 5 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 6 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 7 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 8 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 9 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 10 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 11 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 12 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 13 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 14 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 15 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 16 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 17 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 18 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 19 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 20 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 21 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 22 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 23 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 24 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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[ 121, 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 05:50:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:50:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.084260889999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623416620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): 1 H 0.95949382059817 0.25000000000000 0.10457973350615 1.008 2 H 0.04050617940183 0.75000000000000 0.89542026649385 1.008 3 H 0.45949382059817 0.25000000000000 0.39542026649385 1.008 4 H 0.54050617940183 0.75000000000000 0.60457973350615 1.008 5 B 0.73503951933304 0.25000000000000 0.82379675253680 10.811 6 B 0.26496048066696 0.75000000000000 0.17620324746320 10.811 7 B 0.23503951933304 0.25000000000000 0.67620324746320 10.811 8 B 0.76496048066696 0.75000000000000 0.32379675253680 10.811 9 N 0.67752944092083 0.75000000000000 0.21604572434060 14.007 10 N 0.32247055907917 0.25000000000000 0.78395427565940 14.007 11 N 0.17752944092083 0.75000000000000 0.28395427565940 14.007 12 N 0.82247055907917 0.25000000000000 0.71604572434060 14.007 13 N 0.84750775212208 0.75000000000000 0.43757159400795 14.007 14 N 0.15249224787792 0.25000000000000 0.56242840599205 14.007 15 N 0.34750775212208 0.75000000000000 0.06242840599205 14.007 16 N 0.65249224787792 0.25000000000000 0.93757159400795 14.007 17 Ca 0.67699982713224 0.25000000000000 0.52445692561647 40.078 18 Ca 0.32300017286776 0.75000000000000 0.47554307438353 40.078 19 Ca 0.17699982713224 0.25000000000000 0.97554307438353 40.078 20 Ca 0.82300017286776 0.75000000000000 0.02445692561647 40.078 21 Ca 0.52529846438552 0.25000000000000 0.15531141872183 40.078 22 Ca 0.47470153561448 0.75000000000000 0.84468858127817 40.078 23 Ca 0.02529846438552 0.25000000000000 0.34468858127817 40.078 24 Ca 0.97470153561448 0.75000000000000 0.65531141872183 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.168521779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870249860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.900687610000002 Atomic positions (fractional): 1 H 0.47974691029908 0.08333333333333 0.10457973350615 1.008 > 1 2 H 0.97974691029908 0.08333333333333 0.10457973350615 1.008 > 1 3 H 0.47974691029908 0.41666666666667 0.10457973350615 1.008 > 1 4 H 0.97974691029908 0.41666666666667 0.10457973350615 1.008 > 1 5 H 0.47974691029908 0.75000000000000 0.10457973350615 1.008 > 1 6 H 0.97974691029908 0.75000000000000 0.10457973350615 1.008 > 1 7 H 0.02025308970092 0.25000000000000 0.89542026649385 1.008 > 7 8 H 0.52025308970092 0.25000000000000 0.89542026649385 1.008 > 7 9 H 0.02025308970092 0.58333333333333 0.89542026649385 1.008 > 7 10 H 0.52025308970092 0.58333333333333 0.89542026649385 1.008 > 7 11 H 0.02025308970092 0.91666666666667 0.89542026649385 1.008 > 7 12 H 0.52025308970092 0.91666666666667 0.89542026649385 1.008 > 7 13 H 0.22974691029908 0.08333333333333 0.39542026649385 1.008 > 13 14 H 0.72974691029908 0.08333333333333 0.39542026649385 1.008 > 13 15 H 0.22974691029908 0.41666666666667 0.39542026649385 1.008 > 13 16 H 0.72974691029908 0.41666666666667 0.39542026649385 1.008 > 13 17 H 0.22974691029908 0.75000000000000 0.39542026649385 1.008 > 13 18 H 0.72974691029908 0.75000000000000 0.39542026649385 1.008 > 13 19 H 0.27025308970092 0.25000000000000 0.60457973350615 1.008 > 19 20 H 0.77025308970092 0.25000000000000 0.60457973350615 1.008 > 19 21 H 0.27025308970092 0.58333333333333 0.60457973350615 1.008 > 19 22 H 0.77025308970092 0.58333333333333 0.60457973350615 1.008 > 19 23 H 0.27025308970092 0.91666666666667 0.60457973350615 1.008 > 19 24 H 0.77025308970092 0.91666666666667 0.60457973350615 1.008 > 19 25 B 0.36751975966652 0.08333333333333 0.82379675253680 10.811 > 25 26 B 0.86751975966652 0.08333333333333 0.82379675253680 10.811 > 25 27 B 0.36751975966652 0.41666666666667 0.82379675253680 10.811 > 25 28 B 0.86751975966652 0.41666666666667 0.82379675253680 10.811 > 25 29 B 0.36751975966652 0.75000000000000 0.82379675253680 10.811 > 25 30 B 0.86751975966652 0.75000000000000 0.82379675253680 10.811 > 25 31 B 0.13248024033348 0.25000000000000 0.17620324746320 10.811 > 31 32 B 0.63248024033348 0.25000000000000 0.17620324746320 10.811 > 31 33 B 0.13248024033348 0.58333333333333 0.17620324746320 10.811 > 31 34 B 0.63248024033348 0.58333333333333 0.17620324746320 10.811 > 31 35 B 0.13248024033348 0.91666666666667 0.17620324746320 10.811 > 31 36 B 0.63248024033348 0.91666666666667 0.17620324746320 10.811 > 31 37 B 0.11751975966652 0.08333333333333 0.67620324746320 10.811 > 37 38 B 0.61751975966652 0.08333333333333 0.67620324746320 10.811 > 37 39 B 0.11751975966652 0.41666666666667 0.67620324746320 10.811 > 37 40 B 0.61751975966652 0.41666666666667 0.67620324746320 10.811 > 37 41 B 0.11751975966652 0.75000000000000 0.67620324746320 10.811 > 37 42 B 0.61751975966652 0.75000000000000 0.67620324746320 10.811 > 37 43 B 0.38248024033348 0.25000000000000 0.32379675253680 10.811 > 43 44 B 0.88248024033348 0.25000000000000 0.32379675253680 10.811 > 43 45 B 0.38248024033348 0.58333333333333 0.32379675253680 10.811 > 43 46 B 0.88248024033348 0.58333333333333 0.32379675253680 10.811 > 43 47 B 0.38248024033348 0.91666666666667 0.32379675253680 10.811 > 43 48 B 0.88248024033348 0.91666666666667 0.32379675253680 10.811 > 43 49 N 0.33876472046042 0.25000000000000 0.21604572434060 14.007 > 49 50 N 0.83876472046042 0.25000000000000 0.21604572434060 14.007 > 49 51 N 0.33876472046042 0.58333333333333 0.21604572434060 14.007 > 49 52 N 0.83876472046042 0.58333333333333 0.21604572434060 14.007 > 49 53 N 0.33876472046042 0.91666666666667 0.21604572434060 14.007 > 49 54 N 0.83876472046042 0.91666666666667 0.21604572434060 14.007 > 49 55 N 0.16123527953958 0.08333333333333 0.78395427565940 14.007 > 55 56 N 0.66123527953958 0.08333333333333 0.78395427565940 14.007 > 55 57 N 0.16123527953958 0.41666666666667 0.78395427565940 14.007 > 55 58 N 0.66123527953958 0.41666666666667 0.78395427565940 14.007 > 55 59 N 0.16123527953958 0.75000000000000 0.78395427565940 14.007 > 55 60 N 0.66123527953958 0.75000000000000 0.78395427565940 14.007 > 55 61 N 0.08876472046042 0.25000000000000 0.28395427565940 14.007 > 61 62 N 0.58876472046042 0.25000000000000 0.28395427565940 14.007 > 61 63 N 0.08876472046042 0.58333333333333 0.28395427565940 14.007 > 61 64 N 0.58876472046042 0.58333333333333 0.28395427565940 14.007 > 61 65 N 0.08876472046042 0.91666666666667 0.28395427565940 14.007 > 61 66 N 0.58876472046042 0.91666666666667 0.28395427565940 14.007 > 61 67 N 0.41123527953958 0.08333333333333 0.71604572434060 14.007 > 67 68 N 0.91123527953958 0.08333333333333 0.71604572434060 14.007 > 67 69 N 0.41123527953958 0.41666666666667 0.71604572434060 14.007 > 67 70 N 0.91123527953958 0.41666666666667 0.71604572434060 14.007 > 67 71 N 0.41123527953958 0.75000000000000 0.71604572434060 14.007 > 67 72 N 0.91123527953958 0.75000000000000 0.71604572434060 14.007 > 67 73 N 0.42375387606104 0.25000000000000 0.43757159400795 14.007 > 73 74 N 0.92375387606104 0.25000000000000 0.43757159400795 14.007 > 73 75 N 0.42375387606104 0.58333333333333 0.43757159400795 14.007 > 73 76 N 0.92375387606104 0.58333333333333 0.43757159400795 14.007 > 73 77 N 0.42375387606104 0.91666666666667 0.43757159400795 14.007 > 73 78 N 0.92375387606104 0.91666666666667 0.43757159400795 14.007 > 73 79 N 0.07624612393896 0.08333333333333 0.56242840599205 14.007 > 79 80 N 0.57624612393896 0.08333333333333 0.56242840599205 14.007 > 79 81 N 0.07624612393896 0.41666666666667 0.56242840599205 14.007 > 79 82 N 0.57624612393896 0.41666666666667 0.56242840599205 14.007 > 79 83 N 0.07624612393896 0.75000000000000 0.56242840599205 14.007 > 79 84 N 0.57624612393896 0.75000000000000 0.56242840599205 14.007 > 79 85 N 0.17375387606104 0.25000000000000 0.06242840599205 14.007 > 85 86 N 0.67375387606104 0.25000000000000 0.06242840599205 14.007 > 85 87 N 0.17375387606104 0.58333333333333 0.06242840599205 14.007 > 85 88 N 0.67375387606104 0.58333333333333 0.06242840599205 14.007 > 85 89 N 0.17375387606104 0.91666666666667 0.06242840599205 14.007 > 85 90 N 0.67375387606104 0.91666666666667 0.06242840599205 14.007 > 85 91 N 0.32624612393896 0.08333333333333 0.93757159400795 14.007 > 91 92 N 0.82624612393896 0.08333333333333 0.93757159400795 14.007 > 91 93 N 0.32624612393896 0.41666666666667 0.93757159400795 14.007 > 91 94 N 0.82624612393896 0.41666666666667 0.93757159400795 14.007 > 91 95 N 0.32624612393896 0.75000000000000 0.93757159400795 14.007 > 91 96 N 0.82624612393896 0.75000000000000 0.93757159400795 14.007 > 91 97 Ca 0.33849991356612 0.08333333333333 0.52445692561647 40.078 > 97 98 Ca 0.83849991356612 0.08333333333333 0.52445692561647 40.078 > 97 99 Ca 0.33849991356612 0.41666666666667 0.52445692561647 40.078 > 97 100 Ca 0.83849991356612 0.41666666666667 0.52445692561647 40.078 > 97 101 Ca 0.33849991356612 0.75000000000000 0.52445692561647 40.078 > 97 102 Ca 0.83849991356612 0.75000000000000 0.52445692561647 40.078 > 97 103 Ca 0.16150008643388 0.25000000000000 0.47554307438353 40.078 > 103 104 Ca 0.66150008643388 0.25000000000000 0.47554307438353 40.078 > 103 105 Ca 0.16150008643388 0.58333333333333 0.47554307438353 40.078 > 103 106 Ca 0.66150008643388 0.58333333333333 0.47554307438353 40.078 > 103 107 Ca 0.16150008643388 0.91666666666667 0.47554307438353 40.078 > 103 108 Ca 0.66150008643388 0.91666666666667 0.47554307438353 40.078 > 103 109 Ca 0.08849991356612 0.08333333333333 0.97554307438353 40.078 > 109 110 Ca 0.58849991356612 0.08333333333333 0.97554307438353 40.078 > 109 111 Ca 0.08849991356612 0.41666666666667 0.97554307438353 40.078 > 109 112 Ca 0.58849991356612 0.41666666666667 0.97554307438353 40.078 > 109 113 Ca 0.08849991356612 0.75000000000000 0.97554307438353 40.078 > 109 114 Ca 0.58849991356612 0.75000000000000 0.97554307438353 40.078 > 109 115 Ca 0.41150008643388 0.25000000000000 0.02445692561647 40.078 > 115 116 Ca 0.91150008643388 0.25000000000000 0.02445692561647 40.078 > 115 117 Ca 0.41150008643388 0.58333333333333 0.02445692561647 40.078 > 115 118 Ca 0.91150008643388 0.58333333333333 0.02445692561647 40.078 > 115 119 Ca 0.41150008643388 0.91666666666667 0.02445692561647 40.078 > 115 120 Ca 0.91150008643388 0.91666666666667 0.02445692561647 40.078 > 115 121 Ca 0.26264923219276 0.08333333333333 0.15531141872183 40.078 > 121 122 Ca 0.76264923219276 0.08333333333333 0.15531141872183 40.078 > 121 123 Ca 0.26264923219276 0.41666666666667 0.15531141872183 40.078 > 121 124 Ca 0.76264923219276 0.41666666666667 0.15531141872183 40.078 > 121 125 Ca 0.26264923219276 0.75000000000000 0.15531141872183 40.078 > 121 126 Ca 0.76264923219276 0.75000000000000 0.15531141872183 40.078 > 121 127 Ca 0.23735076780724 0.25000000000000 0.84468858127817 40.078 > 127 128 Ca 0.73735076780724 0.25000000000000 0.84468858127817 40.078 > 127 129 Ca 0.23735076780724 0.58333333333333 0.84468858127817 40.078 > 127 130 Ca 0.73735076780724 0.58333333333333 0.84468858127817 40.078 > 127 131 Ca 0.23735076780724 0.91666666666667 0.84468858127817 40.078 > 127 132 Ca 0.73735076780724 0.91666666666667 0.84468858127817 40.078 > 127 133 Ca 0.01264923219276 0.08333333333333 0.34468858127817 40.078 > 133 134 Ca 0.51264923219276 0.08333333333333 0.34468858127817 40.078 > 133 135 Ca 0.01264923219276 0.41666666666667 0.34468858127817 40.078 > 133 136 Ca 0.51264923219276 0.41666666666667 0.34468858127817 40.078 > 133 137 Ca 0.01264923219276 0.75000000000000 0.34468858127817 40.078 > 133 138 Ca 0.51264923219276 0.75000000000000 0.34468858127817 40.078 > 133 139 Ca 0.48735076780724 0.25000000000000 0.65531141872183 40.078 > 139 140 Ca 0.98735076780724 0.25000000000000 0.65531141872183 40.078 > 139 141 Ca 0.48735076780724 0.58333333333333 0.65531141872183 40.078 > 139 142 Ca 0.98735076780724 0.58333333333333 0.65531141872183 40.078 > 139 143 Ca 0.48735076780724 0.91666666666667 0.65531141872183 40.078 > 139 144 Ca 0.98735076780724 0.91666666666667 0.65531141872183 40.078 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2191386 0.0000000 0.0000000 0.0000000 3.9776137 0.0000000 0.0000000 0.0000000 4.7945259 -------------------------- Born effective charges -------------------------- 1 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 2 H -0.9228169 0.0000000 -0.0646839 0.0000000 -0.9381376 0.0000000 0.0312134 0.0000000 -0.9633232 3 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 4 H -0.9228169 0.0000000 0.0646839 0.0000000 -0.9381376 0.0000000 -0.0312134 0.0000000 -0.9633232 5 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 6 B 0.7967149 0.0000000 -1.4570196 0.0000000 -0.1642590 0.0000000 -1.5207011 0.0000000 2.0196060 7 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 8 B 0.7967149 0.0000000 1.4570196 0.0000000 -0.1642590 0.0000000 1.5207011 0.0000000 2.0196060 9 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 10 N -2.2237840 0.0000000 -0.5550425 0.0000000 -1.8048429 0.0000000 -0.5577726 0.0000000 -2.9440510 11 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 12 N -2.2237840 0.0000000 0.5550425 0.0000000 -1.8048429 0.0000000 0.5577726 0.0000000 -2.9440510 13 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 14 N -2.1973649 0.0000000 -0.5172075 0.0000000 -1.7495802 0.0000000 -0.6911610 0.0000000 -2.9637508 15 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 16 N -2.1973649 0.0000000 0.5172075 0.0000000 -1.7495802 0.0000000 0.6911610 0.0000000 -2.9637508 17 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 18 Ca 1.8938343 0.0000000 -0.1452343 0.0000000 2.2146040 0.0000000 0.1070190 0.0000000 2.4457890 19 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 20 Ca 1.8938343 0.0000000 0.1452343 0.0000000 2.2146040 0.0000000 -0.1070190 0.0000000 2.4457890 21 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 22 Ca 2.6534165 0.0000000 0.0370263 0.0000000 2.4422157 0.0000000 0.0174787 0.0000000 2.4057299 23 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 24 Ca 2.6534165 0.0000000 -0.0370263 0.0000000 2.4422157 0.0000000 -0.0174787 0.0000000 2.4057299 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 14 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: 0.60, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 8.093 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 9.056 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 17.247 ( 0.000 0.000 0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.315 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.419 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 22.142 ( 0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 23.427 ( 0.000 0.000 0.000) 0.000 23.465 ( 0.000 0.000 0.000) 0.000 25.444 ( 0.000 0.000 0.000) 0.000 25.547 ( 0.000 0.000 0.000) 0.000 25.676 ( 0.000 0.000 0.000) 0.000 25.680 ( 0.000 0.000 0.000) 0.000 25.991 ( 0.000 0.000 0.000) 0.000 26.240 ( 0.000 0.000 0.000) 0.000 27.549 ( 0.000 0.000 0.000) 0.000 28.774 ( 0.000 0.000 0.000) 0.000 31.862 ( 0.000 0.000 0.000) 0.000 31.932 ( 0.000 0.000 0.000) 0.000 31.969 ( 0.000 0.000 0.000) 0.000 31.975 ( 0.000 0.000 0.000) 0.000 51.480 ( 0.000 0.000 0.000) 0.000 51.882 ( 0.000 0.000 0.000) 0.000 52.331 ( 0.000 0.000 0.000) 0.000 53.723 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 33.915 0.000 0.000) 33.915 0.668 ( 34.630 0.000 0.000) 34.630 1.145 ( 59.417 0.000 0.000) 59.417 1.385 ( 8.508 0.000 0.000) 8.508 2.624 ( 4.344 0.000 0.000) 4.344 2.939 ( -18.634 0.000 0.000) 18.634 3.149 ( -5.680 0.000 0.000) 5.680 3.499 ( 11.396 0.000 0.000) 11.396 3.609 ( -20.792 0.000 0.000) 20.792 3.923 ( 8.681 0.000 0.000) 8.681 4.226 ( 2.848 0.000 0.000) 2.848 4.415 ( -5.251 0.000 0.000) 5.251 4.461 ( 11.397 0.000 0.000) 11.397 4.468 ( -16.499 0.000 0.000) 16.499 4.748 ( 4.562 0.000 0.000) 4.562 4.907 ( -8.458 0.000 0.000) 8.458 5.335 ( -7.920 0.000 0.000) 7.920 5.477 ( 22.121 0.000 0.000) 22.121 5.651 ( -28.362 0.000 0.000) 28.362 6.520 ( 2.805 0.000 0.000) 2.805 6.621 ( -8.166 0.000 0.000) 8.166 6.929 ( 0.820 0.000 0.000) 0.820 7.024 ( -12.544 0.000 0.000) 12.544 7.044 ( -1.070 0.000 0.000) 1.070 7.070 ( 0.220 0.000 0.000) 0.220 7.111 ( -0.468 0.000 0.000) 0.468 7.290 ( 11.061 0.000 0.000) 11.061 7.753 ( 3.799 0.000 0.000) 3.799 7.943 ( 11.757 0.000 0.000) 11.757 8.068 ( -2.210 0.000 0.000) 2.210 8.244 ( 8.912 0.000 0.000) 8.912 8.934 ( -9.186 0.000 0.000) 9.186 9.075 ( 1.030 0.000 0.000) 1.030 9.168 ( 0.662 0.000 0.000) 0.662 9.195 ( -0.956 0.000 0.000) 0.956 9.239 ( -0.502 0.000 0.000) 0.502 9.360 ( 3.759 0.000 0.000) 3.759 9.474 ( 10.709 0.000 0.000) 10.709 10.034 ( 0.730 0.000 0.000) 0.730 10.486 ( -1.495 0.000 0.000) 1.495 10.535 ( -13.696 0.000 0.000) 13.696 10.819 ( -0.911 0.000 0.000) 0.911 11.589 ( 8.286 0.000 0.000) 8.286 12.417 ( -6.757 0.000 0.000) 6.757 17.252 ( 0.589 0.000 0.000) 0.589 17.282 ( 0.232 0.000 0.000) 0.232 17.304 ( 0.942 0.000 0.000) 0.942 17.312 ( -0.315 0.000 0.000) 0.315 17.321 ( -0.491 0.000 0.000) 0.491 17.411 ( -0.829 0.000 0.000) 0.829 17.929 ( 0.718 0.000 0.000) 0.718 18.022 ( -0.830 0.000 0.000) 0.830 22.189 ( 5.183 0.000 0.000) 5.183 23.000 ( -8.580 0.000 0.000) 8.580 23.427 ( 0.054 0.000 0.000) 0.054 23.461 ( -0.498 0.000 0.000) 0.498 25.449 ( 0.590 0.000 0.000) 0.590 25.537 ( -1.016 0.000 0.000) 1.016 25.677 ( 0.149 0.000 0.000) 0.149 25.681 ( 0.088 0.000 0.000) 0.088 26.014 ( 2.386 0.000 0.000) 2.386 26.227 ( -1.408 0.000 0.000) 1.408 28.806 ( 3.253 0.000 0.000) 3.253 29.152 ( -2.749 0.000 0.000) 2.749 31.865 ( 0.343 0.000 0.000) 0.343 31.926 ( -0.842 0.000 0.000) 0.842 31.974 ( 0.427 0.000 0.000) 0.427 31.978 ( 0.241 0.000 0.000) 0.241 51.501 ( 2.283 0.000 0.000) 2.283 51.851 ( -3.321 0.000 0.000) 3.321 53.184 ( 4.550 0.000 0.000) 4.550 53.685 ( -3.978 0.000 0.000) 3.978 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 26.620 0.000 0.000) 26.620 1.252 ( 28.921 0.000 0.000) 28.921 1.551 ( 7.374 0.000 0.000) 7.374 1.949 ( 13.257 0.000 0.000) 13.257 2.814 ( 19.708 0.000 0.000) 19.708 2.818 ( 17.153 0.000 0.000) 17.153 3.025 ( -6.338 0.000 0.000) 6.338 3.229 ( -18.833 0.000 0.000) 18.833 3.702 ( 7.364 0.000 0.000) 7.364 3.740 ( -24.024 0.000 0.000) 24.024 4.254 ( 1.065 0.000 0.000) 1.065 4.330 ( -3.739 0.000 0.000) 3.739 4.417 ( 3.987 0.000 0.000) 3.987 4.663 ( 9.330 0.000 0.000) 9.330 4.796 ( 0.056 0.000 0.000) 0.056 4.808 ( 1.361 0.000 0.000) 1.361 4.957 ( -38.539 0.000 0.000) 38.539 5.181 ( -12.841 0.000 0.000) 12.841 5.878 ( 21.261 0.000 0.000) 21.261 6.483 ( -7.559 0.000 0.000) 7.559 6.563 ( 1.446 0.000 0.000) 1.446 6.749 ( -15.107 0.000 0.000) 15.107 6.951 ( 1.519 0.000 0.000) 1.519 7.017 ( -1.748 0.000 0.000) 1.748 7.076 ( 0.449 0.000 0.000) 0.449 7.100 ( -0.720 0.000 0.000) 0.720 7.525 ( 12.956 0.000 0.000) 12.956 7.798 ( -0.282 0.000 0.000) 0.282 8.042 ( -0.050 0.000 0.000) 0.050 8.068 ( 1.785 0.000 0.000) 1.785 8.484 ( 14.359 0.000 0.000) 14.359 8.787 ( -6.425 0.000 0.000) 6.425 9.101 ( 1.754 0.000 0.000) 1.754 9.171 ( -1.678 0.000 0.000) 1.678 9.185 ( 1.086 0.000 0.000) 1.086 9.226 ( -0.929 0.000 0.000) 0.929 9.484 ( 10.987 0.000 0.000) 10.987 9.672 ( 10.430 0.000 0.000) 10.430 9.995 ( -5.486 0.000 0.000) 5.486 10.202 ( -21.708 0.000 0.000) 21.708 10.520 ( 5.696 0.000 0.000) 5.696 10.769 ( -4.563 0.000 0.000) 4.563 11.782 ( 12.132 0.000 0.000) 12.132 12.246 ( -11.399 0.000 0.000) 11.399 17.267 ( 0.988 0.000 0.000) 0.988 17.288 ( 0.428 0.000 0.000) 0.428 17.303 ( -0.673 0.000 0.000) 0.673 17.309 ( -0.728 0.000 0.000) 0.728 17.328 ( 1.584 0.000 0.000) 1.584 17.390 ( -1.471 0.000 0.000) 1.471 17.947 ( 1.274 0.000 0.000) 1.274 18.001 ( -1.384 0.000 0.000) 1.384 22.329 ( 9.914 0.000 0.000) 9.914 22.792 ( -13.212 0.000 0.000) 13.212 23.430 ( 0.259 0.000 0.000) 0.259 23.449 ( -0.702 0.000 0.000) 0.702 25.465 ( 1.033 0.000 0.000) 1.033 25.513 ( -1.451 0.000 0.000) 1.451 25.680 ( 0.168 0.000 0.000) 0.168 25.682 ( 0.068 0.000 0.000) 0.068 26.070 ( 3.493 0.000 0.000) 3.493 26.190 ( -2.581 0.000 0.000) 2.581 28.885 ( 5.175 0.000 0.000) 5.175 29.082 ( -4.721 0.000 0.000) 4.721 31.874 ( 0.686 0.000 0.000) 0.686 31.908 ( -1.055 0.000 0.000) 1.055 31.981 ( 0.314 0.000 0.000) 0.314 31.983 ( 0.220 0.000 0.000) 0.220 51.564 ( 4.490 0.000 0.000) 4.490 51.768 ( -5.496 0.000 0.000) 5.496 53.297 ( 7.430 0.000 0.000) 7.430 53.583 ( -6.875 0.000 0.000) 6.875 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -9.117 0.000 0.000) 9.117 1.556 ( 9.117 0.000 0.000) 9.117 1.733 ( -23.191 0.000 0.000) 23.191 1.733 ( 23.191 0.000 0.000) 23.191 2.994 ( -5.146 0.000 0.000) 5.146 2.994 ( 5.146 0.000 0.000) 5.146 3.209 ( -20.280 0.000 0.000) 20.280 3.209 ( 20.280 0.000 0.000) 20.280 3.536 ( -27.642 0.000 0.000) 27.642 3.536 ( 27.642 0.000 0.000) 27.642 4.279 ( -1.896 0.000 0.000) 1.896 4.279 ( 1.896 0.000 0.000) 1.896 4.455 ( -8.249 0.000 0.000) 8.249 4.455 ( 8.249 0.000 0.000) 8.249 4.786 ( -3.921 0.000 0.000) 3.921 4.786 ( 3.921 0.000 0.000) 3.921 4.948 ( -12.705 0.000 0.000) 12.705 4.948 ( 12.705 0.000 0.000) 12.705 6.248 ( -18.308 0.000 0.000) 18.308 6.248 ( 18.308 0.000 0.000) 18.308 6.587 ( -2.600 0.000 0.000) 2.600 6.587 ( 2.600 0.000 0.000) 2.600 6.983 ( -1.893 0.000 0.000) 1.893 6.983 ( 1.893 0.000 0.000) 1.893 7.087 ( -0.678 0.000 0.000) 0.678 7.087 ( 0.678 0.000 0.000) 0.678 7.724 ( -7.831 0.000 0.000) 7.831 7.724 ( 7.831 0.000 0.000) 7.831 8.060 ( -1.473 0.000 0.000) 1.473 8.060 ( 1.473 0.000 0.000) 1.473 8.679 ( -6.794 0.000 0.000) 6.794 8.679 ( 6.794 0.000 0.000) 6.794 9.136 ( -1.979 0.000 0.000) 1.979 9.136 ( 1.979 0.000 0.000) 1.979 9.206 ( -1.162 0.000 0.000) 1.162 9.206 ( 1.162 0.000 0.000) 1.162 9.786 ( -20.297 0.000 0.000) 20.297 9.786 ( 20.297 0.000 0.000) 20.297 9.856 ( -8.118 0.000 0.000) 8.118 9.856 ( 8.118 0.000 0.000) 8.118 10.655 ( -7.601 0.000 0.000) 7.601 10.655 ( 7.601 0.000 0.000) 7.601 12.017 ( -13.066 0.000 0.000) 13.066 12.017 ( 13.066 0.000 0.000) 13.066 17.286 ( -1.062 0.000 0.000) 1.062 17.286 ( 1.062 0.000 0.000) 1.062 17.297 ( -0.564 0.000 0.000) 0.564 17.297 ( 0.564 0.000 0.000) 0.564 17.359 ( -1.760 0.000 0.000) 1.760 17.359 ( 1.760 0.000 0.000) 1.760 17.973 ( -1.528 0.000 0.000) 1.528 17.973 ( 1.528 0.000 0.000) 1.528 22.544 ( -13.160 0.000 0.000) 13.160 22.544 ( 13.160 0.000 0.000) 13.160 23.437 ( -0.557 0.000 0.000) 0.557 23.437 ( 0.557 0.000 0.000) 0.557 25.487 ( -1.357 0.000 0.000) 1.357 25.487 ( 1.357 0.000 0.000) 1.357 25.683 ( -0.057 0.000 0.000) 0.057 25.683 ( 0.057 0.000 0.000) 0.057 26.134 ( -3.373 0.000 0.000) 3.373 26.134 ( 3.373 0.000 0.000) 3.373 28.986 ( -5.573 0.000 0.000) 5.573 28.986 ( 5.573 0.000 0.000) 5.573 31.889 ( -0.954 0.000 0.000) 0.954 31.889 ( 0.954 0.000 0.000) 0.954 31.985 ( -0.027 0.000 0.000) 0.027 31.985 ( 0.027 0.000 0.000) 0.027 51.661 ( -5.841 0.000 0.000) 5.841 51.661 ( 5.841 0.000 0.000) 5.841 53.443 ( -8.128 0.000 0.000) 8.128 53.443 ( 8.128 0.000 0.000) 8.128 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 24.154 0.000) 24.154 0.700 ( 0.000 36.793 0.000) 36.793 1.398 ( 0.000 70.312 0.000) 70.312 1.764 ( 0.000 37.786 0.000) 37.786 2.744 ( 0.000 15.505 0.000) 15.505 3.196 ( 0.000 1.552 0.000) 1.552 3.310 ( 0.000 8.358 0.000) 8.358 3.381 ( 0.000 1.264 0.000) 1.264 3.773 ( 0.000 4.358 0.000) 4.358 3.982 ( 0.000 9.689 0.000) 9.689 4.280 ( 0.000 13.811 0.000) 13.811 4.626 ( 0.000 11.801 0.000) 11.801 4.627 ( 0.000 25.907 0.000) 25.907 4.710 ( 0.000 -0.827 0.000) 0.827 4.830 ( 0.000 9.507 0.000) 9.507 5.099 ( 0.000 14.262 0.000) 14.262 5.159 ( 0.000 3.028 0.000) 3.028 5.406 ( 0.000 -0.017 0.000) 0.017 5.917 ( 0.000 -0.822 0.000) 0.822 6.426 ( 0.000 -0.041 0.000) 0.041 6.642 ( 0.000 -7.089 0.000) 7.089 6.917 ( 0.000 -8.019 0.000) 8.019 6.966 ( 0.000 -4.316 0.000) 4.316 7.224 ( 0.000 10.504 0.000) 10.504 7.311 ( 0.000 13.658 0.000) 13.658 7.476 ( 0.000 18.797 0.000) 18.797 7.636 ( 0.000 -1.681 0.000) 1.681 7.759 ( 0.000 6.628 0.000) 6.628 7.763 ( 0.000 -2.104 0.000) 2.104 8.055 ( 0.000 -3.504 0.000) 3.504 8.156 ( 0.000 -0.996 0.000) 0.996 8.634 ( 0.000 -2.726 0.000) 2.726 9.028 ( 0.000 -2.767 0.000) 2.767 9.075 ( 0.000 0.293 0.000) 0.293 9.133 ( 0.000 -2.864 0.000) 2.864 9.228 ( 0.000 -1.999 0.000) 1.999 9.427 ( 0.000 9.845 0.000) 9.845 9.666 ( 0.000 4.313 0.000) 4.313 10.040 ( 0.000 2.720 0.000) 2.720 10.471 ( 0.000 -4.134 0.000) 4.134 10.636 ( 0.000 -3.541 0.000) 3.541 11.080 ( 0.000 -3.424 0.000) 3.424 11.392 ( 0.000 -11.276 0.000) 11.276 11.663 ( 0.000 0.807 0.000) 0.807 17.291 ( 0.000 1.145 0.000) 1.145 17.300 ( 0.000 0.575 0.000) 0.575 17.325 ( 0.000 1.033 0.000) 1.033 17.341 ( 0.000 1.414 0.000) 1.414 17.423 ( 0.000 0.437 0.000) 0.437 17.438 ( 0.000 0.791 0.000) 0.791 17.650 ( 0.000 0.078 0.000) 0.078 17.962 ( 0.000 -6.341 0.000) 6.341 22.068 ( 0.000 -6.940 0.000) 6.940 22.784 ( 0.000 -16.486 0.000) 16.486 23.492 ( 0.000 1.608 0.000) 1.608 25.240 ( 0.000 -18.406 0.000) 18.406 25.621 ( 0.000 7.449 0.000) 7.449 25.779 ( 0.000 9.570 0.000) 9.570 25.841 ( 0.000 15.327 0.000) 15.327 25.923 ( 0.000 -3.486 0.000) 3.486 26.230 ( 0.000 -0.741 0.000) 0.741 26.507 ( 0.000 16.437 0.000) 16.437 27.485 ( 0.000 -6.361 0.000) 6.361 28.652 ( 0.000 -12.165 0.000) 12.165 31.851 ( 0.000 -0.977 0.000) 0.977 31.916 ( 0.000 -1.554 0.000) 1.554 31.959 ( 0.000 -1.605 0.000) 1.605 31.962 ( 0.000 -0.684 0.000) 0.684 51.469 ( 0.000 -1.099 0.000) 1.099 51.844 ( 0.000 -3.752 0.000) 3.752 52.288 ( 0.000 -4.345 0.000) 4.345 53.609 ( 0.000 -11.166 0.000) 11.166 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 28.505 11.461 0.000) 30.723 0.932 ( 23.820 23.496 0.000) 33.458 1.787 ( 33.631 54.245 0.000) 63.825 1.866 ( 9.981 38.977 0.000) 40.234 2.732 ( 0.493 12.040 0.000) 12.050 2.952 ( -17.570 1.726 0.000) 17.654 3.308 ( -2.175 13.629 0.000) 13.801 3.450 ( 2.188 -1.056 0.000) 2.429 3.764 ( -11.682 12.196 0.000) 16.888 3.915 ( 6.607 1.395 0.000) 6.752 4.426 ( -12.253 1.580 0.000) 12.355 4.434 ( 8.114 17.525 0.000) 19.313 4.654 ( -5.716 14.915 0.000) 15.973 4.678 ( 6.132 21.817 0.000) 22.663 4.871 ( 0.997 6.877 0.000) 6.949 4.945 ( -5.365 9.748 0.000) 11.127 5.331 ( -7.809 -0.038 0.000) 7.809 5.474 ( 20.440 3.226 0.000) 20.692 5.671 ( -25.625 2.388 0.000) 25.736 6.466 ( 3.219 -1.478 0.000) 3.542 6.559 ( -6.430 -5.772 0.000) 8.641 6.765 ( -10.896 -10.754 0.000) 15.309 7.110 ( 7.818 2.207 0.000) 8.124 7.205 ( -2.030 10.452 0.000) 10.647 7.338 ( 3.929 7.667 0.000) 8.615 7.410 ( -12.853 24.694 0.000) 27.838 7.418 ( -4.193 19.849 0.000) 20.287 7.723 ( 3.070 -2.033 0.000) 3.682 7.902 ( 10.320 -3.585 0.000) 10.925 8.026 ( -2.176 -3.932 0.000) 4.494 8.232 ( 8.535 -1.212 0.000) 8.621 8.864 ( 0.417 -7.230 0.000) 7.242 9.013 ( 6.989 -7.065 0.000) 9.938 9.083 ( 0.900 -0.588 0.000) 1.075 9.141 ( 0.759 -1.744 0.000) 1.902 9.231 ( -0.272 -1.092 0.000) 1.125 9.468 ( 4.432 10.192 0.000) 11.114 9.666 ( 1.875 9.167 0.000) 9.357 10.053 ( 0.583 2.517 0.000) 2.584 10.448 ( -1.165 -3.751 0.000) 3.928 10.543 ( -11.069 -0.879 0.000) 11.104 10.882 ( -9.174 4.172 0.000) 10.078 11.463 ( 7.231 -12.225 0.000) 14.203 11.949 ( 10.910 -24.808 0.000) 27.101 17.293 ( 0.100 1.133 0.000) 1.138 17.306 ( 0.477 0.413 0.000) 0.631 17.323 ( -0.139 1.074 0.000) 1.082 17.338 ( -4.173 4.935 0.000) 6.463 17.339 ( -0.191 1.538 0.000) 1.550 17.416 ( -0.778 0.490 0.000) 0.919 17.781 ( 6.640 -7.016 0.000) 9.660 17.955 ( -0.781 -6.254 0.000) 6.303 22.110 ( 4.554 -7.472 0.000) 8.750 22.746 ( -4.529 -17.038 0.000) 17.630 23.500 ( 1.012 2.775 0.000) 2.953 24.475 ( -56.955 37.115 0.000) 67.981 25.569 ( -7.278 16.745 0.000) 18.258 25.609 ( -1.246 7.314 0.000) 7.419 25.782 ( 0.291 9.680 0.000) 9.685 25.832 ( -1.235 13.248 0.000) 13.306 26.056 ( 0.756 7.046 0.000) 7.086 26.220 ( -1.072 -0.405 0.000) 1.146 28.528 ( 32.603 -41.014 0.000) 52.393 28.677 ( 2.565 -12.756 0.000) 13.011 31.854 ( 0.308 -1.005 0.000) 1.051 31.909 ( -0.701 -1.523 0.000) 1.677 31.962 ( 0.276 -1.572 0.000) 1.596 31.964 ( 0.221 -0.888 0.000) 0.915 51.484 ( 2.006 -1.524 0.000) 2.520 51.815 ( -3.148 -3.589 0.000) 4.775 52.726 ( 26.496 -24.746 0.000) 36.255 53.571 ( -4.122 -11.248 0.000) 11.980 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 27.937 5.632 0.000) 28.499 1.438 ( 27.872 14.117 0.000) 31.243 2.038 ( 5.115 40.789 0.000) 41.109 2.171 ( -4.997 24.920 0.000) 25.416 2.831 ( 11.260 1.731 0.000) 11.392 2.856 ( 12.934 9.041 0.000) 15.781 3.261 ( -14.806 4.361 0.000) 15.435 3.306 ( 6.814 21.045 0.000) 22.121 3.739 ( -20.009 3.781 0.000) 20.363 3.808 ( 8.976 10.253 0.000) 13.627 4.418 ( 3.757 2.341 0.000) 4.427 4.512 ( 1.573 23.023 0.000) 23.076 4.556 ( -2.736 16.338 0.000) 16.565 4.803 ( -0.859 1.865 0.000) 2.054 4.821 ( 7.018 15.393 0.000) 16.917 4.961 ( 1.478 14.982 0.000) 15.054 5.026 ( -34.603 7.056 0.000) 35.315 5.178 ( -14.332 0.371 0.000) 14.337 5.841 ( 19.423 -1.377 0.000) 19.472 6.458 ( -6.888 -1.262 0.000) 7.002 6.507 ( 0.661 -2.852 0.000) 2.927 6.539 ( -10.842 -13.296 0.000) 17.156 7.168 ( -1.178 12.570 0.000) 12.625 7.177 ( 0.384 12.637 0.000) 12.643 7.300 ( -1.579 20.798 0.000) 20.857 7.339 ( -2.970 17.547 0.000) 17.797 7.502 ( 11.094 -0.062 0.000) 11.094 7.761 ( -0.485 -3.029 0.000) 3.067 7.999 ( -0.264 -4.071 0.000) 4.079 8.016 ( 1.837 -4.865 0.000) 5.200 8.458 ( 13.757 -2.438 0.000) 13.972 8.764 ( -6.104 -2.369 0.000) 6.548 9.110 ( 2.036 -2.535 0.000) 3.252 9.138 ( 3.625 -4.838 0.000) 6.046 9.156 ( 0.843 0.195 0.000) 0.865 9.210 ( -2.016 -0.504 0.000) 2.078 9.599 ( 10.500 10.506 0.000) 14.854 9.750 ( 6.541 6.750 0.000) 9.399 10.016 ( -5.003 2.533 0.000) 5.608 10.248 ( -19.629 4.200 0.000) 20.073 10.488 ( 5.890 -3.100 0.000) 6.656 10.757 ( -6.257 -0.999 0.000) 6.336 11.630 ( 10.317 -14.589 0.000) 17.868 11.976 ( -5.318 -22.344 0.000) 22.968 17.293 ( 0.013 1.528 0.000) 1.528 17.307 ( -0.090 2.420 0.000) 2.422 17.308 ( -0.343 0.542 0.000) 0.642 17.321 ( -0.332 1.154 0.000) 1.201 17.343 ( 0.963 1.406 0.000) 1.704 17.396 ( -1.363 0.632 0.000) 1.503 17.862 ( 2.919 -6.500 0.000) 7.125 17.934 ( -1.392 -6.064 0.000) 6.221 22.232 ( 8.593 -9.088 0.000) 12.508 22.612 ( -9.693 -15.206 0.000) 18.032 23.533 ( 2.746 6.458 0.000) 7.018 23.831 ( -19.043 27.000 0.000) 33.040 25.533 ( 0.293 8.186 0.000) 8.191 25.581 ( -1.730 7.040 0.000) 7.250 25.789 ( 0.439 9.976 0.000) 9.986 25.812 ( -0.941 11.518 0.000) 11.556 26.098 ( 2.883 3.916 0.000) 4.863 26.192 ( -1.949 0.592 0.000) 2.037 28.737 ( 3.695 -14.540 0.000) 15.002 28.797 ( 3.995 -25.454 0.000) 25.766 31.863 ( 0.619 -1.086 0.000) 1.250 31.893 ( -0.926 -1.377 0.000) 1.659 31.967 ( 0.275 -1.488 0.000) 1.513 31.969 ( 0.207 -1.184 0.000) 1.202 51.542 ( 4.250 -2.056 0.000) 4.721 51.736 ( -5.210 -3.154 0.000) 6.090 53.080 ( 14.240 -18.384 0.000) 23.254 53.463 ( -7.518 -11.759 0.000) 13.956 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -13.104 1.301 0.000) 13.168 1.723 ( 13.104 1.301 0.000) 13.168 1.980 ( -5.088 34.464 0.000) 34.838 1.980 ( 5.088 34.464 0.000) 34.838 2.990 ( -1.133 3.485 0.000) 3.664 2.990 ( 1.133 3.485 0.000) 3.664 3.241 ( -17.453 3.791 0.000) 17.860 3.241 ( 17.453 3.791 0.000) 17.860 3.796 ( -18.303 22.629 0.000) 29.105 3.796 ( 18.303 22.629 0.000) 29.105 4.437 ( -8.915 9.817 0.000) 13.261 4.437 ( 8.915 9.817 0.000) 13.261 4.565 ( -2.450 15.453 0.000) 15.646 4.565 ( 2.450 15.453 0.000) 15.646 4.911 ( -4.774 4.546 0.000) 6.592 4.911 ( 4.774 4.546 0.000) 6.592 4.967 ( -4.081 9.676 0.000) 10.501 4.967 ( 4.081 9.676 0.000) 10.501 6.186 ( -18.114 -4.536 0.000) 18.673 6.186 ( 18.114 -4.536 0.000) 18.673 6.495 ( -1.124 -5.138 0.000) 5.259 6.495 ( 1.124 -5.138 0.000) 5.259 7.167 ( -0.738 13.653 0.000) 13.673 7.167 ( 0.738 13.653 0.000) 13.673 7.301 ( -1.155 18.639 0.000) 18.675 7.301 ( 1.155 18.639 0.000) 18.675 7.685 ( -7.663 -2.978 0.000) 8.221 7.685 ( 7.663 -2.978 0.000) 8.221 8.011 ( -1.169 -4.539 0.000) 4.687 8.011 ( 1.169 -4.539 0.000) 4.687 8.653 ( -7.187 -2.476 0.000) 7.601 8.653 ( 7.187 -2.476 0.000) 7.601 9.156 ( -2.122 -4.718 0.000) 5.173 9.156 ( 2.122 -4.718 0.000) 5.173 9.170 ( -0.940 2.004 0.000) 2.213 9.170 ( 0.940 2.004 0.000) 2.213 9.848 ( -8.076 5.008 0.000) 9.503 9.848 ( 8.076 5.008 0.000) 9.503 9.916 ( -3.084 7.005 0.000) 7.654 9.916 ( 3.084 7.005 0.000) 7.654 10.626 ( -7.964 -2.637 0.000) 8.389 10.626 ( 7.964 -2.637 0.000) 8.389 11.823 ( -10.186 -17.909 0.000) 20.603 11.823 ( 10.186 -17.909 0.000) 20.603 17.298 ( -0.518 1.037 0.000) 1.159 17.298 ( 0.518 1.037 0.000) 1.159 17.312 ( -0.494 1.541 0.000) 1.619 17.312 ( 0.494 1.541 0.000) 1.619 17.368 ( -1.562 0.894 0.000) 1.800 17.368 ( 1.562 0.894 0.000) 1.800 17.904 ( -1.897 -6.004 0.000) 6.297 17.904 ( 1.897 -6.004 0.000) 6.297 22.416 ( -10.955 -11.807 0.000) 16.107 22.416 ( 10.955 -11.807 0.000) 16.107 23.615 ( -6.843 13.662 0.000) 15.280 23.615 ( 6.843 13.662 0.000) 15.280 25.551 ( -1.423 7.008 0.000) 7.151 25.551 ( 1.423 7.008 0.000) 7.151 25.798 ( -0.589 10.503 0.000) 10.519 25.798 ( 0.589 10.503 0.000) 10.519 26.150 ( -2.603 2.133 0.000) 3.366 26.150 ( 2.603 2.133 0.000) 3.366 28.798 ( -2.451 -18.009 0.000) 18.175 28.798 ( 2.451 -18.009 0.000) 18.175 31.877 ( -0.856 -1.213 0.000) 1.484 31.877 ( 0.856 -1.213 0.000) 1.484 31.970 ( -0.043 -1.365 0.000) 1.365 31.970 ( 0.043 -1.365 0.000) 1.365 51.634 ( -5.541 -2.591 0.000) 6.117 51.634 ( 5.541 -2.591 0.000) 6.117 53.299 ( -10.260 -13.554 0.000) 16.999 53.299 ( 10.260 -13.554 0.000) 16.999 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 31.307 0.000) 31.307 1.456 ( 0.000 39.707 0.000) 39.707 2.454 ( 0.000 28.373 0.000) 28.373 2.755 ( 0.000 66.377 0.000) 66.377 3.242 ( 0.000 3.450 0.000) 3.450 3.275 ( 0.000 38.126 0.000) 38.126 3.425 ( 0.000 2.899 0.000) 2.899 3.452 ( 0.000 6.222 0.000) 6.222 3.986 ( 0.000 16.110 0.000) 16.110 4.222 ( 0.000 13.390 0.000) 13.390 4.613 ( 0.000 17.766 0.000) 17.766 4.703 ( 0.000 0.527 0.000) 0.527 4.862 ( 0.000 12.042 0.000) 12.042 4.971 ( 0.000 3.114 0.000) 3.114 5.175 ( 0.000 19.766 0.000) 19.766 5.354 ( 0.000 17.464 0.000) 17.464 5.483 ( 0.000 14.439 0.000) 14.439 5.522 ( 0.000 25.232 0.000) 25.232 5.916 ( 0.000 1.261 0.000) 1.261 6.468 ( 0.000 6.361 0.000) 6.361 6.494 ( 0.000 -6.876 0.000) 6.876 6.760 ( 0.000 -8.263 0.000) 8.263 6.915 ( 0.000 -0.012 0.000) 0.012 7.493 ( 0.000 15.401 0.000) 15.401 7.562 ( 0.000 -5.267 0.000) 5.267 7.613 ( 0.000 14.795 0.000) 14.795 7.728 ( 0.000 0.228 0.000) 0.228 7.856 ( 0.000 -3.353 0.000) 3.353 7.868 ( 0.000 20.167 0.000) 20.167 8.054 ( 0.000 9.005 0.000) 9.005 8.130 ( 0.000 -1.533 0.000) 1.533 8.573 ( 0.000 -2.749 0.000) 2.749 8.952 ( 0.000 -4.649 0.000) 4.649 9.037 ( 0.000 -4.935 0.000) 4.935 9.054 ( 0.000 -4.947 0.000) 4.947 9.150 ( 0.000 -6.138 0.000) 6.138 9.689 ( 0.000 15.974 0.000) 15.974 9.780 ( 0.000 6.588 0.000) 6.588 10.156 ( 0.000 9.550 0.000) 9.550 10.358 ( 0.000 -7.055 0.000) 7.055 10.541 ( 0.000 -5.777 0.000) 5.777 10.991 ( 0.000 -5.258 0.000) 5.258 11.094 ( 0.000 -17.951 0.000) 17.951 11.674 ( 0.000 -0.026 0.000) 0.026 17.320 ( 0.000 1.436 0.000) 1.436 17.324 ( 0.000 2.162 0.000) 2.162 17.353 ( 0.000 1.751 0.000) 1.751 17.377 ( 0.000 2.080 0.000) 2.080 17.436 ( 0.000 0.834 0.000) 0.834 17.460 ( 0.000 1.344 0.000) 1.344 17.652 ( 0.000 0.107 0.000) 0.107 17.809 ( 0.000 -8.372 0.000) 8.372 21.898 ( 0.000 -9.415 0.000) 9.415 22.397 ( 0.000 -20.853 0.000) 20.853 23.478 ( 0.000 -3.983 0.000) 3.983 24.800 ( 0.000 -25.056 0.000) 25.056 25.804 ( 0.000 8.832 0.000) 8.832 25.870 ( 0.000 -2.150 0.000) 2.150 26.026 ( 0.000 14.635 0.000) 14.635 26.207 ( 0.000 20.179 0.000) 20.179 26.245 ( 0.000 4.100 0.000) 4.100 26.839 ( 0.000 16.424 0.000) 16.424 27.307 ( 0.000 -11.301 0.000) 11.301 28.315 ( 0.000 -21.248 0.000) 21.248 31.826 ( 0.000 -1.489 0.000) 1.489 31.878 ( 0.000 -2.075 0.000) 2.075 31.918 ( 0.000 -2.316 0.000) 2.316 31.944 ( 0.000 -1.151 0.000) 1.151 51.439 ( 0.000 -1.883 0.000) 1.883 51.741 ( 0.000 -6.460 0.000) 6.460 52.167 ( 0.000 -7.624 0.000) 7.624 53.304 ( 0.000 -19.119 0.000) 19.119 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 17.063 24.992 0.000) 30.261 1.507 ( 7.244 33.723 0.000) 34.493 2.562 ( 11.431 26.279 0.000) 28.658 2.938 ( -0.824 43.927 0.000) 43.934 3.037 ( 3.662 21.868 0.000) 22.173 3.194 ( -8.027 35.630 0.000) 36.523 3.496 ( 1.093 5.878 0.000) 5.979 3.545 ( 5.471 7.768 0.000) 9.502 4.045 ( -8.861 15.829 0.000) 18.141 4.062 ( 5.446 14.036 0.000) 15.056 4.485 ( -13.122 4.650 0.000) 13.921 4.812 ( 13.811 19.268 0.000) 23.706 4.899 ( -3.227 6.807 0.000) 7.533 4.955 ( -0.679 6.920 0.000) 6.953 5.165 ( -1.151 16.223 0.000) 16.263 5.340 ( 1.293 24.405 0.000) 24.440 5.405 ( -7.675 14.499 0.000) 16.405 5.663 ( 11.499 15.369 0.000) 19.194 5.768 ( -16.797 8.116 0.000) 18.655 6.412 ( -6.358 -7.986 0.000) 10.208 6.490 ( 1.934 5.765 0.000) 6.080 6.633 ( -8.899 -2.617 0.000) 9.276 7.088 ( 12.913 -2.824 0.000) 13.218 7.443 ( -3.482 10.189 0.000) 10.767 7.579 ( -3.305 13.115 0.000) 13.525 7.600 ( 1.912 -0.381 0.000) 1.950 7.733 ( 0.489 5.653 0.000) 5.675 7.812 ( -3.328 2.402 0.000) 4.105 7.916 ( 3.815 12.868 0.000) 13.422 7.994 ( -3.324 8.598 0.000) 9.218 8.200 ( 7.791 -1.853 0.000) 8.008 8.709 ( 6.887 -7.319 0.000) 10.050 8.917 ( 0.161 -4.015 0.000) 4.018 9.014 ( -1.047 -5.614 0.000) 5.711 9.100 ( 3.256 -3.898 0.000) 5.079 9.165 ( 0.603 -5.979 0.000) 6.009 9.731 ( 4.617 15.789 0.000) 16.450 9.818 ( 3.738 6.946 0.000) 7.887 10.160 ( -0.579 8.381 0.000) 8.401 10.349 ( 0.543 -5.458 0.000) 5.485 10.492 ( -5.625 -3.842 0.000) 6.812 10.907 ( -8.060 -1.968 0.000) 8.297 11.144 ( 5.062 -19.068 0.000) 19.729 11.649 ( -3.096 -7.765 0.000) 8.359 17.323 ( 0.289 1.353 0.000) 1.384 17.325 ( 0.034 2.106 0.000) 2.106 17.352 ( -0.092 1.767 0.000) 1.770 17.376 ( -0.030 2.149 0.000) 2.150 17.413 ( -3.401 2.854 0.000) 4.440 17.430 ( -0.684 1.000 0.000) 1.212 17.698 ( 3.415 -2.308 0.000) 4.122 17.806 ( -0.352 -8.045 0.000) 8.053 21.928 ( 3.186 -10.095 0.000) 10.586 22.363 ( -3.597 -20.266 0.000) 20.583 23.508 ( 3.348 -3.168 0.000) 4.609 24.559 ( -23.494 -14.193 0.000) 27.448 25.792 ( -1.234 8.945 0.000) 9.030 25.822 ( -4.595 2.921 0.000) 5.444 26.027 ( 0.098 14.338 0.000) 14.339 26.161 ( -5.673 21.020 0.000) 21.772 26.247 ( 0.267 5.013 0.000) 5.020 26.403 ( -15.200 22.696 0.000) 27.316 27.868 ( 29.793 -26.328 0.000) 39.759 28.326 ( 1.103 -21.940 0.000) 21.967 31.828 ( 0.252 -1.506 0.000) 1.527 31.873 ( -0.536 -1.966 0.000) 2.038 31.922 ( 0.361 -2.273 0.000) 2.302 31.942 ( -0.114 -1.269 0.000) 1.275 51.446 ( 1.197 -2.226 0.000) 2.528 51.716 ( -2.664 -6.168 0.000) 6.719 52.365 ( 17.761 -14.289 0.000) 22.795 53.265 ( -4.243 -19.073 0.000) 19.540 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 21.049 15.799 0.000) 26.319 1.730 ( 14.458 18.395 0.000) 23.397 2.642 ( -15.142 16.158 0.000) 22.145 2.854 ( 19.576 20.058 0.000) 28.027 2.948 ( -19.095 26.835 0.000) 32.935 3.347 ( 9.540 40.284 0.000) 41.398 3.453 ( -2.804 16.350 0.000) 16.588 3.583 ( -5.269 7.416 0.000) 9.097 4.070 ( 9.588 15.806 0.000) 18.486 4.083 ( 7.746 29.409 0.000) 30.412 4.476 ( 7.660 3.768 0.000) 8.537 4.756 ( -6.529 4.225 0.000) 7.777 4.978 ( 1.559 19.554 0.000) 19.616 4.982 ( 2.420 13.221 0.000) 13.440 5.104 ( -7.780 2.707 0.000) 8.237 5.267 ( -11.337 23.661 0.000) 26.237 5.339 ( -19.313 19.332 0.000) 27.327 5.372 ( 0.745 25.465 0.000) 25.476 5.885 ( 12.351 5.649 0.000) 13.581 6.299 ( -7.530 -10.747 0.000) 13.123 6.494 ( -4.407 6.550 0.000) 7.894 6.513 ( -0.134 5.589 0.000) 5.591 7.322 ( 11.819 -4.353 0.000) 12.595 7.401 ( -0.524 7.318 0.000) 7.337 7.508 ( -4.040 11.962 0.000) 12.626 7.594 ( -2.491 4.506 0.000) 5.148 7.744 ( 0.712 10.010 0.000) 10.035 7.781 ( -0.578 3.276 0.000) 3.327 7.958 ( -0.924 7.811 0.000) 7.865 7.959 ( 0.654 6.288 0.000) 6.321 8.398 ( 12.179 -3.460 0.000) 12.661 8.692 ( -4.794 -4.948 0.000) 6.890 9.005 ( 0.191 -6.728 0.000) 6.731 9.012 ( 5.136 -7.039 0.000) 8.714 9.152 ( 2.000 -2.741 0.000) 3.393 9.159 ( -0.692 -5.273 0.000) 5.318 9.857 ( 9.054 14.882 0.000) 17.420 9.899 ( 4.765 7.619 0.000) 8.987 10.106 ( -4.696 5.663 0.000) 7.357 10.327 ( -12.098 2.864 0.000) 12.433 10.423 ( 7.092 -2.002 0.000) 7.369 10.742 ( -9.164 -0.606 0.000) 9.184 11.262 ( 7.506 -21.101 0.000) 22.396 11.555 ( -6.982 -17.624 0.000) 18.956 17.325 ( -0.002 1.966 0.000) 1.966 17.327 ( 0.018 1.382 0.000) 1.382 17.352 ( 0.030 1.867 0.000) 1.867 17.366 ( -1.500 3.063 0.000) 3.411 17.379 ( 0.440 2.106 0.000) 2.151 17.414 ( -1.074 1.200 0.000) 1.610 17.750 ( 2.169 -4.479 0.000) 4.977 17.796 ( -0.696 -7.159 0.000) 7.193 22.013 ( 5.916 -12.078 0.000) 13.450 22.268 ( -6.524 -18.208 0.000) 19.341 23.604 ( 7.339 -0.994 0.000) 7.405 24.110 ( -22.040 -0.248 0.000) 22.041 25.753 ( -2.140 8.898 0.000) 9.152 25.764 ( -1.588 9.178 0.000) 9.314 26.030 ( 0.183 13.733 0.000) 13.734 26.068 ( -3.059 16.479 0.000) 16.760 26.256 ( 0.667 7.597 0.000) 7.626 26.294 ( -1.857 15.584 0.000) 15.694 28.230 ( 11.198 -29.312 0.000) 31.378 28.348 ( 0.858 -23.824 0.000) 23.840 31.836 ( 0.514 -1.561 0.000) 1.643 31.860 ( -0.747 -1.790 0.000) 1.940 31.930 ( 0.436 -2.139 0.000) 2.183 31.940 ( -0.131 -1.589 0.000) 1.595 51.489 ( 3.378 -3.200 0.000) 4.653 51.649 ( -4.390 -5.379 0.000) 6.943 52.696 ( 16.769 -19.120 0.000) 25.432 53.150 ( -8.237 -19.095 0.000) 20.796 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -9.934 9.199 0.000) 13.539 1.815 ( 9.934 9.199 0.000) 13.539 2.596 ( -13.366 21.642 0.000) 25.437 2.596 ( 13.366 21.642 0.000) 25.437 3.241 ( -20.430 19.808 0.000) 28.456 3.241 ( 20.430 19.808 0.000) 28.456 3.441 ( -1.445 21.012 0.000) 21.062 3.441 ( 1.445 21.012 0.000) 21.062 4.267 ( -6.511 21.233 0.000) 22.209 4.267 ( 6.511 21.233 0.000) 22.209 4.673 ( -27.160 17.911 0.000) 32.534 4.673 ( 27.160 17.911 0.000) 32.534 4.859 ( -13.143 2.779 0.000) 13.434 4.859 ( 13.143 2.779 0.000) 13.434 5.036 ( -3.636 18.250 0.000) 18.609 5.036 ( 3.636 18.250 0.000) 18.609 5.347 ( -3.259 24.179 0.000) 24.398 5.347 ( 3.259 24.179 0.000) 24.398 6.110 ( -11.968 -3.383 0.000) 12.437 6.110 ( 11.968 -3.383 0.000) 12.437 6.486 ( -1.954 6.814 0.000) 7.088 6.486 ( 1.954 6.814 0.000) 7.088 7.426 ( -2.456 3.199 0.000) 4.033 7.426 ( 2.456 3.199 0.000) 4.033 7.512 ( -6.398 5.941 0.000) 8.731 7.512 ( 6.398 5.941 0.000) 8.731 7.763 ( -1.329 7.310 0.000) 7.430 7.763 ( 1.329 7.310 0.000) 7.430 7.956 ( -0.474 6.357 0.000) 6.374 7.956 ( 0.474 6.357 0.000) 6.374 8.585 ( -7.498 -4.400 0.000) 8.693 8.585 ( 7.498 -4.400 0.000) 8.693 9.028 ( -1.894 -7.823 0.000) 8.049 9.028 ( 1.894 -7.823 0.000) 8.049 9.165 ( -0.588 -3.217 0.000) 3.271 9.165 ( 0.588 -3.217 0.000) 3.271 9.983 ( -2.770 8.324 0.000) 8.773 9.983 ( 2.770 8.324 0.000) 8.773 10.093 ( -10.640 9.122 0.000) 14.015 10.093 ( 10.640 9.122 0.000) 14.015 10.576 ( -8.969 -1.393 0.000) 9.077 10.576 ( 8.969 -1.393 0.000) 9.077 11.410 ( -8.318 -21.546 0.000) 23.096 11.410 ( 8.318 -21.546 0.000) 23.096 17.325 ( -0.067 1.712 0.000) 1.713 17.325 ( 0.067 1.712 0.000) 1.713 17.353 ( -0.186 2.355 0.000) 2.362 17.353 ( 0.186 2.355 0.000) 2.362 17.393 ( -1.079 1.623 0.000) 1.949 17.393 ( 1.079 1.623 0.000) 1.949 17.780 ( -1.192 -5.934 0.000) 6.053 17.780 ( 1.192 -5.934 0.000) 6.053 22.137 ( -7.350 -15.065 0.000) 16.763 22.137 ( 7.350 -15.065 0.000) 16.763 23.789 ( -13.257 1.362 0.000) 13.327 23.789 ( 13.257 1.362 0.000) 13.327 25.742 ( -0.622 9.403 0.000) 9.424 25.742 ( 0.622 9.403 0.000) 9.424 26.037 ( -0.787 13.805 0.000) 13.827 26.037 ( 0.787 13.805 0.000) 13.827 26.271 ( -0.987 11.263 0.000) 11.306 26.271 ( 0.987 11.263 0.000) 11.306 28.341 ( -2.235 -26.564 0.000) 26.658 28.341 ( 2.235 -26.564 0.000) 26.658 31.847 ( -0.705 -1.654 0.000) 1.798 31.847 ( 0.705 -1.654 0.000) 1.798 31.937 ( -0.281 -1.909 0.000) 1.930 31.937 ( 0.281 -1.909 0.000) 1.930 51.564 ( -4.620 -4.311 0.000) 6.319 51.564 ( 4.620 -4.311 0.000) 6.319 52.962 ( -12.267 -19.392 0.000) 22.946 52.962 ( 12.267 -19.392 0.000) 22.946 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 33.404 0.000) 33.404 2.250 ( 0.000 40.349 0.000) 40.349 2.922 ( 0.000 20.993 0.000) 20.993 3.290 ( 0.000 3.674 0.000) 3.674 3.468 ( 0.000 2.406 0.000) 2.406 3.627 ( 0.000 11.368 0.000) 11.368 4.024 ( 0.000 58.495 0.000) 58.495 4.084 ( 0.000 38.999 0.000) 38.999 4.314 ( 0.000 15.618 0.000) 15.618 4.466 ( 0.000 10.522 0.000) 10.522 4.740 ( 0.000 2.969 0.000) 2.969 4.899 ( 0.000 10.319 0.000) 10.319 5.017 ( 0.000 4.023 0.000) 4.023 5.106 ( 0.000 11.937 0.000) 11.937 5.294 ( 0.000 0.421 0.000) 0.421 5.749 ( 0.000 20.082 0.000) 20.082 5.916 ( 0.000 13.060 0.000) 13.060 5.946 ( 0.000 20.857 0.000) 20.857 5.960 ( 0.000 1.752 0.000) 1.752 6.412 ( 0.000 -1.348 0.000) 1.348 6.609 ( 0.000 -4.774 0.000) 4.774 6.789 ( 0.000 26.596 0.000) 26.596 7.031 ( 0.000 13.761 0.000) 13.761 7.440 ( 0.000 -6.891 0.000) 6.891 7.701 ( 0.000 1.747 0.000) 1.747 7.705 ( 0.000 -9.158 0.000) 9.158 7.763 ( 0.000 10.210 0.000) 10.210 7.940 ( 0.000 12.975 0.000) 12.975 8.102 ( 0.000 -0.816 0.000) 0.816 8.243 ( 0.000 16.981 0.000) 16.981 8.297 ( 0.000 11.600 0.000) 11.600 8.574 ( 0.000 4.503 0.000) 4.503 8.872 ( 0.000 -2.081 0.000) 2.081 8.881 ( 0.000 -10.205 0.000) 10.205 8.951 ( 0.000 -4.890 0.000) 4.890 8.984 ( 0.000 -10.473 0.000) 10.473 9.901 ( 0.000 5.282 0.000) 5.282 10.018 ( 0.000 14.685 0.000) 14.685 10.221 ( 0.000 -4.277 0.000) 4.277 10.406 ( 0.000 14.983 0.000) 14.983 10.419 ( 0.000 -6.347 0.000) 6.347 10.722 ( 0.000 -18.916 0.000) 18.916 10.885 ( 0.000 -5.368 0.000) 5.368 11.648 ( 0.000 -3.016 0.000) 3.016 17.355 ( 0.000 2.013 0.000) 2.013 17.375 ( 0.000 2.943 0.000) 2.943 17.391 ( 0.000 1.960 0.000) 1.960 17.419 ( 0.000 2.120 0.000) 2.120 17.456 ( 0.000 1.143 0.000) 1.143 17.489 ( 0.000 1.521 0.000) 1.521 17.654 ( 0.000 -6.997 0.000) 6.997 17.654 ( 0.000 0.077 0.000) 0.077 21.729 ( 0.000 -7.117 0.000) 7.117 22.019 ( 0.000 -16.387 0.000) 16.387 23.324 ( 0.000 -11.273 0.000) 11.273 24.277 ( 0.000 -27.725 0.000) 27.725 25.834 ( 0.000 -1.506 0.000) 1.506 25.883 ( 0.000 -0.492 0.000) 0.492 26.321 ( 0.000 14.445 0.000) 14.445 26.446 ( 0.000 15.071 0.000) 15.071 26.588 ( 0.000 17.172 0.000) 17.172 27.061 ( 0.000 -12.559 0.000) 12.559 27.137 ( 0.000 13.575 0.000) 13.575 27.849 ( 0.000 -25.038 0.000) 25.038 31.797 ( 0.000 -1.393 0.000) 1.393 31.842 ( 0.000 -1.490 0.000) 1.490 31.873 ( 0.000 -2.178 0.000) 2.178 31.919 ( 0.000 -1.294 0.000) 1.294 51.399 ( 0.000 -2.100 0.000) 2.100 51.602 ( 0.000 -7.329 0.000) 7.329 51.998 ( 0.000 -9.280 0.000) 9.280 52.886 ( 0.000 -22.592 0.000) 22.592 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 8.595 30.008 0.000) 31.214 2.214 ( -2.740 36.895 0.000) 36.996 2.967 ( 4.466 17.627 0.000) 18.184 3.103 ( -12.840 6.344 0.000) 14.321 3.635 ( 9.572 2.908 0.000) 10.003 3.681 ( 3.870 12.740 0.000) 13.315 3.893 ( -15.713 27.265 0.000) 31.469 4.134 ( 8.769 51.726 0.000) 52.464 4.385 ( 8.926 18.220 0.000) 20.289 4.419 ( -0.636 24.487 0.000) 24.496 4.608 ( -9.488 7.417 0.000) 12.043 4.983 ( -2.700 5.071 0.000) 5.744 5.119 ( 15.763 10.288 0.000) 18.824 5.147 ( 1.523 11.025 0.000) 11.129 5.251 ( -4.524 0.358 0.000) 4.538 5.801 ( -11.383 15.716 0.000) 19.405 5.806 ( 5.120 21.397 0.000) 22.001 5.937 ( 2.278 10.222 0.000) 10.472 5.939 ( -3.927 4.357 0.000) 5.866 6.331 ( -8.796 2.052 0.000) 9.032 6.679 ( 6.046 7.182 0.000) 9.388 6.795 ( 0.609 25.114 0.000) 25.121 7.079 ( 5.044 5.436 0.000) 7.415 7.420 ( -2.585 -6.571 0.000) 7.061 7.639 ( -3.708 -6.023 0.000) 7.073 7.653 ( -4.604 -0.295 0.000) 4.614 7.816 ( 3.026 7.319 0.000) 7.920 7.933 ( -0.564 12.788 0.000) 12.800 8.164 ( 6.169 -1.302 0.000) 6.305 8.256 ( 1.340 16.606 0.000) 16.660 8.286 ( -0.608 14.402 0.000) 14.414 8.610 ( 1.501 -1.361 0.000) 2.026 8.854 ( 0.068 -1.795 0.000) 1.797 8.878 ( -0.608 -8.204 0.000) 8.226 8.984 ( 3.334 -6.555 0.000) 7.354 9.003 ( 1.144 -9.480 0.000) 9.549 9.938 ( 3.621 4.851 0.000) 6.054 10.049 ( 3.271 13.088 0.000) 13.491 10.203 ( -1.718 -1.958 0.000) 2.605 10.404 ( -1.641 -4.923 0.000) 5.190 10.431 ( 2.561 13.817 0.000) 14.053 10.755 ( 3.632 -19.408 0.000) 19.744 10.832 ( -5.454 -4.697 0.000) 7.197 11.555 ( -9.631 -3.595 0.000) 10.280 17.357 ( 0.184 1.953 0.000) 1.962 17.374 ( -0.105 2.865 0.000) 2.867 17.390 ( -0.078 1.943 0.000) 1.944 17.420 ( 0.098 2.222 0.000) 2.224 17.449 ( -0.844 1.271 0.000) 1.525 17.464 ( -1.912 2.147 0.000) 2.875 17.659 ( 0.480 -6.562 0.000) 6.580 17.668 ( 1.117 -0.922 0.000) 1.448 21.746 ( 1.841 -7.671 0.000) 7.888 21.999 ( -2.221 -15.779 0.000) 15.935 23.363 ( 4.198 -11.206 0.000) 11.966 24.165 ( -11.278 -23.873 0.000) 26.403 25.827 ( -0.604 -0.844 0.000) 1.038 25.874 ( -0.950 -0.266 0.000) 0.986 26.327 ( 0.588 15.310 0.000) 15.322 26.456 ( 1.065 14.609 0.000) 14.648 26.563 ( -3.165 18.356 0.000) 18.626 26.754 ( -14.147 10.831 0.000) 17.817 27.470 ( 17.204 -13.045 0.000) 21.591 27.850 ( 0.070 -25.277 0.000) 25.277 31.799 ( 0.243 -1.382 0.000) 1.403 31.838 ( -0.397 -1.452 0.000) 1.506 31.877 ( 0.448 -2.144 0.000) 2.191 31.916 ( -0.303 -1.344 0.000) 1.378 51.400 ( 0.431 -2.380 0.000) 2.419 51.583 ( -1.977 -6.980 0.000) 7.254 52.108 ( 10.837 -12.211 0.000) 16.327 52.849 ( -3.911 -22.313 0.000) 22.653 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 12.468 22.841 0.000) 26.023 2.179 ( -1.659 25.871 0.000) 25.924 2.904 ( -7.089 13.070 0.000) 14.869 3.029 ( -0.973 9.533 0.000) 9.583 3.538 ( -8.926 22.800 0.000) 24.485 3.705 ( -2.840 6.382 0.000) 6.985 3.886 ( 8.528 21.889 0.000) 23.492 4.156 ( -6.241 33.901 0.000) 34.470 4.467 ( 5.770 25.787 0.000) 26.424 4.563 ( 8.885 5.273 0.000) 10.331 4.720 ( 22.036 31.229 0.000) 38.221 4.885 ( -7.695 11.939 0.000) 14.204 5.110 ( -10.545 0.944 0.000) 10.587 5.186 ( 4.361 9.241 0.000) 10.219 5.277 ( -2.364 10.252 0.000) 10.521 5.643 ( -7.637 9.687 0.000) 12.335 5.820 ( -5.045 24.690 0.000) 25.200 5.881 ( 2.195 21.696 0.000) 21.807 5.994 ( 3.325 7.362 0.000) 8.078 6.157 ( -7.940 -0.882 0.000) 7.989 6.770 ( 3.394 20.872 0.000) 21.146 6.808 ( 0.648 22.877 0.000) 22.886 7.194 ( 6.423 -6.664 0.000) 9.255 7.350 ( -4.177 -7.278 0.000) 8.391 7.572 ( -3.127 -3.670 0.000) 4.822 7.594 ( -1.792 -7.562 0.000) 7.771 7.860 ( 1.933 9.762 0.000) 9.951 7.919 ( -1.056 12.107 0.000) 12.153 8.257 ( 1.815 14.329 0.000) 14.443 8.281 ( -0.099 17.161 0.000) 17.161 8.333 ( 8.358 -1.027 0.000) 8.421 8.580 ( -4.011 -5.418 0.000) 6.741 8.862 ( -0.784 -7.435 0.000) 7.476 8.881 ( 0.785 -6.298 0.000) 6.347 9.026 ( 1.994 -6.269 0.000) 6.578 9.047 ( 2.743 -6.631 0.000) 7.176 10.016 ( 4.369 3.565 0.000) 5.639 10.116 ( 1.760 1.018 0.000) 2.033 10.183 ( 1.719 11.322 0.000) 11.452 10.359 ( -3.401 0.633 0.000) 3.459 10.492 ( 3.963 7.790 0.000) 8.740 10.705 ( -7.663 -3.417 0.000) 8.390 10.862 ( 8.307 -17.340 0.000) 19.227 11.325 ( -14.430 -6.100 0.000) 15.667 17.360 ( 0.224 1.971 0.000) 1.984 17.371 ( -0.253 2.645 0.000) 2.657 17.390 ( 0.199 1.964 0.000) 1.974 17.419 ( -1.688 2.251 0.000) 2.814 17.423 ( 0.275 2.327 0.000) 2.343 17.444 ( -0.755 1.854 0.000) 2.002 17.670 ( 0.694 -5.442 0.000) 5.486 17.683 ( 0.344 -2.488 0.000) 2.511 21.795 ( 3.397 -9.261 0.000) 9.864 21.942 ( -3.813 -14.029 0.000) 14.538 23.478 ( 8.274 -11.315 0.000) 14.018 23.915 ( -14.554 -16.888 0.000) 22.293 25.820 ( -0.000 0.199 0.000) 0.199 25.851 ( -1.355 0.220 0.000) 1.373 26.344 ( 1.339 17.411 0.000) 17.463 26.466 ( -6.005 20.926 0.000) 21.771 26.486 ( 2.213 13.651 0.000) 13.830 26.599 ( -4.423 12.566 0.000) 13.322 27.710 ( 8.956 -22.050 0.000) 23.800 27.847 ( -0.629 -25.628 0.000) 25.635 31.806 ( 0.482 -1.362 0.000) 1.445 31.828 ( -0.623 -1.387 0.000) 1.520 31.888 ( 0.634 -2.022 0.000) 2.119 31.909 ( -0.462 -1.533 0.000) 1.601 51.423 ( 2.091 -3.362 0.000) 3.959 51.534 ( -3.203 -6.023 0.000) 6.822 52.341 ( 13.341 -16.902 0.000) 21.533 52.743 ( -7.676 -21.475 0.000) 22.805 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -8.915 18.229 0.000) 20.292 2.091 ( 8.915 18.229 0.000) 20.292 2.907 ( -7.230 13.961 0.000) 15.722 2.907 ( 7.230 13.961 0.000) 15.722 3.571 ( -8.749 15.108 0.000) 17.458 3.571 ( 8.749 15.108 0.000) 17.458 4.031 ( -6.916 29.079 0.000) 29.891 4.031 ( 6.916 29.079 0.000) 29.891 4.615 ( -8.282 16.800 0.000) 18.731 4.615 ( 8.282 16.800 0.000) 18.731 4.878 ( -12.175 3.126 0.000) 12.570 4.878 ( 12.175 3.126 0.000) 12.570 5.111 ( -15.349 18.669 0.000) 24.169 5.111 ( 15.349 18.669 0.000) 24.169 5.360 ( -16.276 15.374 0.000) 22.389 5.360 ( 16.276 15.374 0.000) 22.389 5.866 ( -4.080 26.341 0.000) 26.655 5.866 ( 4.080 26.341 0.000) 26.655 6.054 ( -3.886 -0.196 0.000) 3.891 6.054 ( 3.886 -0.196 0.000) 3.891 6.808 ( -0.902 23.447 0.000) 23.464 6.808 ( 0.902 23.447 0.000) 23.464 7.284 ( -3.481 -9.995 0.000) 10.584 7.284 ( 3.481 -9.995 0.000) 10.584 7.560 ( -1.509 -6.209 0.000) 6.390 7.560 ( 1.509 -6.209 0.000) 6.390 7.893 ( -1.694 11.311 0.000) 11.437 7.893 ( 1.694 11.311 0.000) 11.437 8.276 ( -0.575 17.943 0.000) 17.952 8.276 ( 0.575 17.943 0.000) 17.952 8.482 ( -6.814 -5.945 0.000) 9.042 8.482 ( 6.814 -5.945 0.000) 9.042 8.865 ( -1.265 -8.099 0.000) 8.198 8.865 ( 1.265 -8.099 0.000) 8.198 9.064 ( -1.055 -5.518 0.000) 5.618 9.064 ( 1.055 -5.518 0.000) 5.618 10.086 ( -3.182 0.504 0.000) 3.222 10.086 ( 3.182 0.504 0.000) 3.222 10.274 ( -5.705 10.047 0.000) 11.554 10.274 ( 5.705 10.047 0.000) 11.554 10.578 ( -5.717 -0.461 0.000) 5.736 10.578 ( 5.717 -0.461 0.000) 5.736 11.062 ( -13.257 -11.267 0.000) 17.398 11.062 ( 13.257 -11.267 0.000) 17.398 17.365 ( -0.322 2.292 0.000) 2.314 17.365 ( 0.322 2.292 0.000) 2.314 17.398 ( -0.693 2.122 0.000) 2.232 17.398 ( 0.693 2.122 0.000) 2.232 17.431 ( -0.594 2.152 0.000) 2.232 17.431 ( 0.594 2.152 0.000) 2.232 17.681 ( -0.437 -4.004 0.000) 4.028 17.681 ( 0.437 -4.004 0.000) 4.028 21.866 ( -4.209 -11.593 0.000) 12.333 21.866 ( 4.209 -11.593 0.000) 12.333 23.665 ( -12.135 -12.650 0.000) 17.529 23.665 ( 12.135 -12.650 0.000) 17.529 25.829 ( -0.964 0.531 0.000) 1.100 25.829 ( 0.964 0.531 0.000) 1.100 26.382 ( -3.100 19.676 0.000) 19.919 26.382 ( 3.100 19.676 0.000) 19.919 26.535 ( -3.013 12.977 0.000) 13.322 26.535 ( 3.013 12.977 0.000) 13.322 27.816 ( -3.196 -25.129 0.000) 25.332 27.816 ( 3.196 -25.129 0.000) 25.332 31.816 ( -0.634 -1.357 0.000) 1.498 31.816 ( 0.634 -1.357 0.000) 1.498 31.899 ( -0.584 -1.799 0.000) 1.892 31.899 ( 0.584 -1.799 0.000) 1.892 51.473 ( -3.235 -4.707 0.000) 5.712 51.473 ( 3.235 -4.707 0.000) 5.712 52.570 ( -11.142 -19.893 0.000) 22.801 52.570 ( 11.142 -19.893 0.000) 22.801 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 32.281 0.000) 32.281 3.024 ( 0.000 37.249 0.000) 37.249 3.310 ( 0.000 18.406 0.000) 18.406 3.367 ( 0.000 4.371 0.000) 4.371 3.541 ( 0.000 5.574 0.000) 5.574 3.888 ( 0.000 14.725 0.000) 14.725 4.584 ( 0.000 11.892 0.000) 11.892 4.616 ( 0.000 4.600 0.000) 4.600 4.620 ( 0.000 10.913 0.000) 10.913 4.781 ( 0.000 2.248 0.000) 2.248 4.875 ( 0.000 19.055 0.000) 19.055 5.081 ( 0.000 10.911 0.000) 10.911 5.275 ( 0.000 4.333 0.000) 4.333 5.286 ( 0.000 -0.750 0.000) 0.750 5.345 ( 0.000 34.241 0.000) 34.241 5.946 ( 0.000 -2.602 0.000) 2.602 6.080 ( 0.000 13.249 0.000) 13.249 6.136 ( 0.000 11.588 0.000) 11.588 6.182 ( 0.000 5.167 0.000) 5.167 6.315 ( 0.000 -7.204 0.000) 7.204 6.741 ( 0.000 16.055 0.000) 16.055 7.291 ( 0.000 -8.396 0.000) 8.396 7.338 ( 0.000 21.972 0.000) 21.972 7.432 ( 0.000 23.169 0.000) 23.169 7.567 ( 0.000 -2.879 0.000) 2.879 7.779 ( 0.000 6.289 0.000) 6.289 7.902 ( 0.000 7.927 0.000) 7.927 8.106 ( 0.000 1.291 0.000) 1.291 8.111 ( 0.000 3.927 0.000) 3.927 8.399 ( 0.000 -1.834 0.000) 1.834 8.489 ( 0.000 3.931 0.000) 3.931 8.706 ( 0.000 -2.712 0.000) 2.712 8.749 ( 0.000 -12.730 0.000) 12.730 8.784 ( 0.000 15.857 0.000) 15.857 8.891 ( 0.000 -0.630 0.000) 0.630 8.956 ( 0.000 11.149 0.000) 11.149 9.980 ( 0.000 2.776 0.000) 2.776 10.015 ( 0.000 -6.694 0.000) 6.694 10.299 ( 0.000 -5.669 0.000) 5.669 10.373 ( 0.000 -16.009 0.000) 16.009 10.437 ( 0.000 17.754 0.000) 17.754 10.711 ( 0.000 15.043 0.000) 15.043 10.778 ( 0.000 -5.686 0.000) 5.686 11.544 ( 0.000 -7.766 0.000) 7.766 17.396 ( 0.000 2.041 0.000) 2.041 17.427 ( 0.000 1.547 0.000) 1.547 17.438 ( 0.000 3.355 0.000) 3.355 17.456 ( 0.000 1.563 0.000) 1.563 17.480 ( 0.000 1.306 0.000) 1.306 17.518 ( 0.000 1.354 0.000) 1.354 17.542 ( 0.000 -4.300 0.000) 4.300 17.655 ( 0.000 -0.026 0.000) 0.026 21.637 ( 0.000 -1.848 0.000) 1.848 21.777 ( 0.000 -7.767 0.000) 7.767 23.052 ( 0.000 -15.853 0.000) 15.853 23.717 ( 0.000 -28.782 0.000) 28.782 25.815 ( 0.000 -0.320 0.000) 0.320 25.844 ( 0.000 -2.352 0.000) 2.352 26.557 ( 0.000 7.954 0.000) 7.954 26.687 ( 0.000 -10.784 0.000) 10.784 26.755 ( 0.000 14.830 0.000) 14.830 27.012 ( 0.000 11.337 0.000) 11.337 27.368 ( 0.000 9.677 0.000) 9.677 27.378 ( 0.000 -20.860 0.000) 20.860 31.774 ( 0.000 -0.881 0.000) 0.881 31.822 ( 0.000 -0.481 0.000) 0.481 31.835 ( 0.000 -1.691 0.000) 1.691 31.894 ( 0.000 -1.160 0.000) 1.160 51.361 ( 0.000 -1.608 0.000) 1.608 51.467 ( 0.000 -5.992 0.000) 5.992 51.812 ( 0.000 -9.324 0.000) 9.324 52.439 ( 0.000 -22.148 0.000) 22.148 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.306 30.217 0.000) 30.398 2.903 ( -11.364 29.987 0.000) 32.068 3.281 ( -4.885 14.034 0.000) 14.860 3.296 ( -1.360 16.001 0.000) 16.058 3.688 ( 9.896 2.778 0.000) 10.278 3.980 ( 8.755 16.704 0.000) 18.859 4.200 ( -19.298 7.663 0.000) 20.764 4.600 ( 1.924 11.206 0.000) 11.370 4.726 ( -5.651 5.793 0.000) 8.092 4.933 ( 6.003 14.591 0.000) 15.778 4.943 ( 6.144 22.137 0.000) 22.973 5.195 ( 14.865 -2.473 0.000) 15.069 5.230 ( -1.810 11.916 0.000) 12.053 5.255 ( -2.651 1.176 0.000) 2.900 5.432 ( 6.171 27.950 0.000) 28.623 5.845 ( -13.958 -5.821 0.000) 15.123 6.055 ( -0.369 6.662 0.000) 6.672 6.079 ( -1.633 9.486 0.000) 9.626 6.202 ( 8.317 15.397 0.000) 17.500 6.413 ( 0.895 2.317 0.000) 2.484 6.829 ( 9.540 9.692 0.000) 13.599 7.230 ( -6.410 0.915 0.000) 6.475 7.341 ( -0.082 8.913 0.000) 8.913 7.388 ( -4.941 21.223 0.000) 21.790 7.531 ( -2.529 -0.041 0.000) 2.530 7.715 ( -6.061 7.350 0.000) 9.527 7.947 ( 3.772 7.555 0.000) 8.444 8.105 ( -0.429 4.071 0.000) 4.094 8.150 ( 4.366 0.095 0.000) 4.367 8.405 ( 0.503 -2.509 0.000) 2.558 8.503 ( 1.415 4.936 0.000) 5.135 8.709 ( -4.427 -3.637 0.000) 5.730 8.725 ( 1.397 -3.186 0.000) 3.479 8.774 ( -0.333 6.724 0.000) 6.732 8.910 ( 2.318 -0.096 0.000) 2.320 8.987 ( 2.652 10.147 0.000) 10.487 10.005 ( 2.351 2.158 0.000) 3.191 10.024 ( 0.839 -6.065 0.000) 6.123 10.304 ( 0.694 -5.064 0.000) 5.112 10.391 ( 1.721 -14.996 0.000) 15.095 10.442 ( 0.707 15.661 0.000) 15.677 10.729 ( 2.248 14.382 0.000) 14.557 10.740 ( -3.921 -4.655 0.000) 6.086 11.463 ( -8.493 -6.398 0.000) 10.634 17.396 ( 0.094 1.964 0.000) 1.966 17.425 ( -0.094 1.526 0.000) 1.529 17.435 ( -0.328 3.189 0.000) 3.206 17.460 ( 0.356 1.786 0.000) 1.821 17.475 ( -0.595 1.368 0.000) 1.492 17.503 ( -1.262 1.764 0.000) 2.169 17.554 ( 1.282 -3.991 0.000) 4.192 17.655 ( -0.126 -0.529 0.000) 0.544 21.646 ( 0.893 -2.176 0.000) 2.352 21.767 ( -1.092 -7.323 0.000) 7.404 23.087 ( 3.805 -16.195 0.000) 16.636 23.658 ( -6.177 -26.968 0.000) 27.666 25.813 ( -0.141 -0.289 0.000) 0.321 25.840 ( -0.453 -2.126 0.000) 2.174 26.574 ( 1.826 7.826 0.000) 8.036 26.685 ( -0.155 -9.096 0.000) 9.097 26.752 ( -0.307 14.250 0.000) 14.253 26.953 ( -5.369 14.431 0.000) 15.397 27.385 ( 0.708 -19.875 0.000) 19.887 27.400 ( 2.556 3.908 0.000) 4.669 31.777 ( 0.289 -0.848 0.000) 0.896 31.818 ( -0.391 -0.503 0.000) 0.637 31.840 ( 0.512 -1.669 0.000) 1.746 31.891 ( -0.386 -1.182 0.000) 1.244 51.357 ( -0.150 -1.784 0.000) 1.791 51.455 ( -1.262 -5.677 0.000) 5.815 51.878 ( 6.669 -11.068 0.000) 12.922 52.410 ( -3.120 -21.715 0.000) 21.938 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 5.961 25.420 0.000) 26.109 2.681 ( -11.609 23.203 0.000) 25.945 3.217 ( -1.985 19.708 0.000) 19.808 3.260 ( -2.601 13.780 0.000) 14.023 3.813 ( 3.073 4.128 0.000) 5.147 3.907 ( -9.055 14.086 0.000) 16.745 4.221 ( 13.536 15.142 0.000) 20.310 4.613 ( -5.960 15.608 0.000) 16.707 4.680 ( 6.771 6.459 0.000) 9.358 4.952 ( -2.658 15.757 0.000) 15.980 5.023 ( 2.817 8.328 0.000) 8.792 5.170 ( -5.485 6.519 0.000) 8.520 5.232 ( 1.737 7.214 0.000) 7.420 5.407 ( -1.909 4.269 0.000) 4.676 5.554 ( 7.071 27.831 0.000) 28.715 5.630 ( -1.729 -6.300 0.000) 6.533 6.057 ( 0.548 8.669 0.000) 8.686 6.141 ( 7.385 6.980 0.000) 10.162 6.347 ( -5.318 15.301 0.000) 16.199 6.375 ( 7.896 20.212 0.000) 21.700 7.023 ( 9.213 -1.229 0.000) 9.294 7.087 ( -7.331 -3.042 0.000) 7.937 7.260 ( -7.656 16.561 0.000) 18.245 7.322 ( -2.331 3.735 0.000) 4.403 7.505 ( -0.151 5.977 0.000) 5.979 7.601 ( -5.422 9.570 0.000) 11.000 8.013 ( 3.171 6.657 0.000) 7.374 8.091 ( -1.175 4.470 0.000) 4.622 8.253 ( 6.377 -2.787 0.000) 6.960 8.409 ( -0.455 -4.565 0.000) 4.587 8.530 ( 1.276 6.094 0.000) 6.226 8.615 ( -5.042 2.776 0.000) 5.755 8.739 ( 0.304 -1.978 0.000) 2.001 8.765 ( -0.757 1.512 0.000) 1.691 8.973 ( 4.008 0.919 0.000) 4.112 9.030 ( 1.540 7.457 0.000) 7.614 10.041 ( 0.971 -4.377 0.000) 4.483 10.045 ( 1.474 0.193 0.000) 1.487 10.334 ( 2.645 -3.683 0.000) 4.535 10.415 ( 0.208 -10.032 0.000) 10.035 10.470 ( 2.589 10.035 0.000) 10.364 10.646 ( -5.919 -1.625 0.000) 6.138 10.812 ( 7.451 9.777 0.000) 12.293 11.254 ( -13.423 -2.775 0.000) 13.707 17.401 ( 0.441 2.016 0.000) 2.063 17.426 ( 0.240 1.580 0.000) 1.598 17.426 ( -0.612 2.842 0.000) 2.907 17.455 ( -1.390 1.538 0.000) 2.073 17.467 ( 0.408 2.084 0.000) 2.124 17.485 ( -0.656 2.164 0.000) 2.261 17.585 ( 1.910 -3.253 0.000) 3.773 17.645 ( -0.992 -1.452 0.000) 1.759 21.669 ( 1.630 -3.132 0.000) 3.531 21.739 ( -1.832 -6.128 0.000) 6.396 23.188 ( 7.023 -17.336 0.000) 18.705 23.511 ( -9.250 -23.088 0.000) 24.872 25.812 ( 0.108 -0.405 0.000) 0.419 25.829 ( -0.662 -1.547 0.000) 1.682 26.621 ( 3.078 6.570 0.000) 7.255 26.682 ( -0.148 -5.076 0.000) 5.078 26.746 ( -0.116 13.362 0.000) 13.362 26.847 ( -5.646 16.878 0.000) 17.797 27.404 ( 1.317 -16.835 0.000) 16.887 27.433 ( 0.721 -4.808 0.000) 4.861 31.784 ( 0.545 -0.766 0.000) 0.940 31.809 ( -0.645 -0.567 0.000) 0.859 31.852 ( 0.795 -1.586 0.000) 1.774 31.881 ( -0.664 -1.276 0.000) 1.438 51.363 ( 0.863 -2.503 0.000) 2.648 51.424 ( -1.960 -4.814 0.000) 5.198 52.030 ( 9.117 -14.689 0.000) 17.289 52.326 ( -6.018 -20.383 0.000) 21.253 ======================= Grid point 31 (20/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -8.520 21.824 0.000) 23.428 2.496 ( 8.520 21.824 0.000) 23.428 3.214 ( -1.683 17.535 0.000) 17.616 3.214 ( 1.683 17.535 0.000) 17.616 3.830 ( -0.655 10.175 0.000) 10.196 3.830 ( 0.655 10.175 0.000) 10.196 4.459 ( -11.214 16.930 0.000) 20.307 4.459 ( 11.214 16.930 0.000) 20.307 4.846 ( -9.103 5.440 0.000) 10.604 4.846 ( 9.103 5.440 0.000) 10.604 5.072 ( -3.972 13.072 0.000) 13.662 5.072 ( 3.972 13.072 0.000) 13.662 5.287 ( -5.005 2.526 0.000) 5.606 5.287 ( 5.005 2.526 0.000) 5.606 5.648 ( -1.717 10.526 0.000) 10.665 5.648 ( 1.717 10.526 0.000) 10.665 6.129 ( -6.660 10.227 0.000) 12.204 6.129 ( 6.660 10.227 0.000) 12.204 6.393 ( -6.333 22.684 0.000) 23.551 6.393 ( 6.333 22.684 0.000) 23.551 7.047 ( -3.473 -6.846 0.000) 7.677 7.047 ( 3.473 -6.846 0.000) 7.677 7.248 ( -5.224 7.996 0.000) 9.551 7.248 ( 5.224 7.996 0.000) 9.551 7.527 ( -2.613 9.307 0.000) 9.667 7.527 ( 2.613 9.307 0.000) 9.667 8.061 ( -2.114 5.400 0.000) 5.799 8.061 ( 2.114 5.400 0.000) 5.799 8.363 ( -4.836 -5.711 0.000) 7.484 8.363 ( 4.836 -5.711 0.000) 7.484 8.552 ( -1.638 6.013 0.000) 6.232 8.552 ( 1.638 6.013 0.000) 6.232 8.749 ( -0.829 0.131 0.000) 0.839 8.749 ( 0.829 0.131 0.000) 0.839 9.030 ( -1.677 3.664 0.000) 4.030 9.030 ( 1.677 3.664 0.000) 4.030 10.054 ( -0.308 -2.208 0.000) 2.230 10.054 ( 0.308 -2.208 0.000) 2.230 10.389 ( -2.783 -4.403 0.000) 5.209 10.389 ( 2.783 -4.403 0.000) 5.209 10.541 ( -5.080 3.341 0.000) 6.080 10.541 ( 5.080 3.341 0.000) 6.080 11.004 ( -12.877 2.628 0.000) 13.142 11.004 ( 12.877 2.628 0.000) 13.142 17.413 ( -0.805 2.410 0.000) 2.541 17.413 ( 0.805 2.410 0.000) 2.541 17.435 ( -0.765 1.596 0.000) 1.769 17.435 ( 0.765 1.596 0.000) 1.769 17.475 ( -0.459 2.232 0.000) 2.279 17.475 ( 0.459 2.232 0.000) 2.279 17.619 ( -1.757 -2.375 0.000) 2.954 17.619 ( 1.757 -2.375 0.000) 2.954 21.703 ( -2.005 -4.568 0.000) 4.989 21.703 ( 2.005 -4.568 0.000) 4.989 23.338 ( -9.118 -19.577 0.000) 21.596 23.338 ( 9.118 -19.577 0.000) 21.596 25.818 ( -0.504 -0.872 0.000) 1.007 25.818 ( 0.504 -0.872 0.000) 1.007 26.670 ( -1.672 0.529 0.000) 1.753 26.670 ( 1.672 0.529 0.000) 1.753 26.764 ( -2.767 15.979 0.000) 16.217 26.764 ( 2.767 15.979 0.000) 16.217 27.428 ( -1.056 -11.784 0.000) 11.831 27.428 ( 1.056 -11.784 0.000) 11.831 31.796 ( -0.689 -0.663 0.000) 0.956 31.796 ( 0.689 -0.663 0.000) 0.956 31.867 ( -0.816 -1.435 0.000) 1.651 31.867 ( 0.816 -1.435 0.000) 1.651 51.388 ( -1.794 -3.640 0.000) 4.059 51.388 ( 1.794 -3.640 0.000) 4.059 52.193 ( -8.324 -18.045 0.000) 19.873 52.193 ( 8.324 -18.045 0.000) 19.873 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.000 29.129 0.000) 29.129 3.463 ( 0.000 5.179 0.000) 5.179 3.531 ( 0.000 9.076 0.000) 9.076 3.638 ( 0.000 14.547 0.000) 14.547 3.856 ( 0.000 30.917 0.000) 30.917 4.176 ( 0.000 13.074 0.000) 13.074 4.598 ( 0.000 -8.407 0.000) 8.407 4.668 ( 0.000 2.169 0.000) 2.169 4.779 ( 0.000 7.418 0.000) 7.418 4.788 ( 0.000 -0.172 0.000) 0.172 5.128 ( 0.000 10.347 0.000) 10.347 5.236 ( 0.000 2.280 0.000) 2.280 5.276 ( 0.000 -0.026 0.000) 0.026 5.303 ( 0.000 0.230 0.000) 0.230 5.801 ( 0.000 1.965 0.000) 1.965 5.833 ( 0.000 -10.157 0.000) 10.157 6.238 ( 0.000 1.860 0.000) 1.860 6.261 ( 0.000 2.486 0.000) 2.486 6.373 ( 0.000 11.193 0.000) 11.193 6.406 ( 0.000 21.623 0.000) 21.623 7.102 ( 0.000 18.840 0.000) 18.840 7.139 ( 0.000 -4.665 0.000) 4.665 7.486 ( 0.000 -2.644 0.000) 2.644 7.636 ( 0.000 9.736 0.000) 9.736 7.790 ( 0.000 11.459 0.000) 11.459 7.912 ( 0.000 3.043 0.000) 3.043 8.128 ( 0.000 -0.722 0.000) 0.722 8.165 ( 0.000 6.105 0.000) 6.105 8.188 ( 0.000 15.978 0.000) 15.978 8.304 ( 0.000 -5.882 0.000) 5.882 8.412 ( 0.000 -3.659 0.000) 3.659 8.501 ( 0.000 -11.555 0.000) 11.555 8.812 ( 0.000 7.491 0.000) 7.491 8.921 ( 0.000 2.933 0.000) 2.933 9.168 ( 0.000 22.215 0.000) 22.215 9.235 ( 0.000 15.433 0.000) 15.433 9.897 ( 0.000 -4.805 0.000) 4.805 10.018 ( 0.000 1.310 0.000) 1.310 10.101 ( 0.000 -11.472 0.000) 11.472 10.200 ( 0.000 -4.371 0.000) 4.371 10.655 ( 0.000 -6.711 0.000) 6.711 10.769 ( 0.000 15.306 0.000) 15.306 10.973 ( 0.000 11.005 0.000) 11.005 11.336 ( 0.000 -13.341 0.000) 13.341 17.431 ( 0.000 1.488 0.000) 1.488 17.444 ( 0.000 -0.012 0.000) 0.012 17.478 ( 0.000 0.698 0.000) 0.698 17.490 ( 0.000 -0.827 0.000) 0.827 17.503 ( 0.000 3.041 0.000) 3.041 17.506 ( 0.000 1.260 0.000) 1.260 17.542 ( 0.000 1.145 0.000) 1.145 17.652 ( 0.000 -0.293 0.000) 0.293 21.663 ( 0.000 4.462 0.000) 4.462 21.722 ( 0.000 2.177 0.000) 2.177 22.718 ( 0.000 -17.591 0.000) 17.591 23.153 ( 0.000 -28.158 0.000) 28.158 25.817 ( 0.000 0.035 0.000) 0.035 25.827 ( 0.000 1.677 0.000) 1.677 26.428 ( 0.000 -13.308 0.000) 13.308 26.540 ( 0.000 -10.730 0.000) 10.730 27.003 ( 0.000 10.110 0.000) 10.110 27.135 ( 0.000 -2.481 0.000) 2.481 27.253 ( 0.000 11.311 0.000) 11.311 27.516 ( 0.000 5.307 0.000) 5.307 31.763 ( 0.000 -0.263 0.000) 0.263 31.806 ( 0.000 -1.219 0.000) 1.219 31.821 ( 0.000 0.295 0.000) 0.295 31.874 ( 0.000 -0.916 0.000) 0.916 51.340 ( 0.000 -0.385 0.000) 0.385 51.380 ( 0.000 -2.555 0.000) 2.555 51.638 ( 0.000 -8.104 0.000) 8.104 52.030 ( 0.000 -18.956 0.000) 18.956 ======================= Grid point 36 (22/96) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.181 27.660 0.000) 27.660 3.273 ( -12.181 11.164 0.000) 16.524 3.597 ( -3.427 14.155 0.000) 14.564 3.658 ( 4.393 8.598 0.000) 9.656 3.844 ( 0.153 24.250 0.000) 24.250 4.230 ( -2.950 3.306 0.000) 4.431 4.361 ( -0.621 13.762 0.000) 13.776 4.745 ( -0.145 3.972 0.000) 3.974 4.854 ( 3.528 7.105 0.000) 7.932 5.016 ( 17.513 -9.682 0.000) 20.011 5.137 ( 0.982 8.557 0.000) 8.613 5.190 ( -4.306 1.322 0.000) 4.505 5.278 ( -2.277 -0.835 0.000) 2.425 5.322 ( 6.410 3.290 0.000) 7.205 5.713 ( -11.668 -7.733 0.000) 13.998 5.862 ( 5.250 3.230 0.000) 6.164 6.183 ( -0.255 6.671 0.000) 6.676 6.275 ( -5.640 11.361 0.000) 12.684 6.384 ( 6.705 -3.338 0.000) 7.490 6.538 ( 9.768 17.978 0.000) 20.460 7.103 ( 0.005 16.225 0.000) 16.225 7.104 ( -4.433 -5.011 0.000) 6.691 7.453 ( -3.670 -0.258 0.000) 3.680 7.620 ( -0.423 8.924 0.000) 8.934 7.721 ( -7.175 11.542 0.000) 13.591 7.875 ( -3.590 3.719 0.000) 5.169 8.151 ( 2.259 -0.903 0.000) 2.432 8.173 ( 0.808 6.643 0.000) 6.692 8.207 ( 1.425 14.386 0.000) 14.457 8.303 ( -0.149 -5.929 0.000) 5.931 8.437 ( 2.338 -4.119 0.000) 4.736 8.494 ( -0.621 -10.469 0.000) 10.487 8.824 ( 1.342 7.759 0.000) 7.875 8.961 ( 4.152 4.083 0.000) 5.823 9.102 ( -4.937 18.746 0.000) 19.385 9.266 ( 1.170 16.494 0.000) 16.535 9.919 ( 2.276 -4.200 0.000) 4.777 10.035 ( 1.438 1.170 0.000) 1.854 10.120 ( 2.052 -11.409 0.000) 11.592 10.212 ( 1.214 -4.147 0.000) 4.321 10.642 ( -1.118 -5.264 0.000) 5.382 10.751 ( -1.866 14.283 0.000) 14.404 10.977 ( 0.508 10.222 0.000) 10.235 11.288 ( -4.943 -11.441 0.000) 12.463 17.430 ( 0.009 1.283 0.000) 1.283 17.446 ( 0.174 0.579 0.000) 0.604 17.488 ( 0.747 1.030 0.000) 1.272 17.492 ( -0.831 2.149 0.000) 2.304 17.503 ( 1.507 -1.217 0.000) 1.937 17.505 ( -0.541 1.792 0.000) 1.871 17.535 ( -0.557 1.568 0.000) 1.664 17.645 ( -0.782 -0.520 0.000) 0.939 21.667 ( 0.445 4.372 0.000) 4.395 21.718 ( -0.400 2.391 0.000) 2.424 22.745 ( 2.871 -18.076 0.000) 18.303 23.120 ( -3.445 -27.120 0.000) 27.338 25.816 ( -0.100 0.136 0.000) 0.169 25.824 ( -0.273 1.589 0.000) 1.612 26.437 ( 0.974 -13.530 0.000) 13.565 26.538 ( -0.271 -11.651 0.000) 11.654 26.993 ( -0.558 10.063 0.000) 10.079 27.174 ( 3.743 -1.165 0.000) 3.921 27.218 ( -3.559 11.780 0.000) 12.306 27.499 ( -1.892 4.499 0.000) 4.880 31.766 ( 0.369 -0.220 0.000) 0.430 31.811 ( 0.550 -1.210 0.000) 1.329 31.817 ( -0.459 0.261 0.000) 0.528 31.870 ( -0.432 -0.934 0.000) 1.030 51.335 ( -0.422 -0.385 0.000) 0.572 51.373 ( -0.715 -2.362 0.000) 2.468 51.676 ( 3.834 -9.305 0.000) 10.064 52.010 ( -2.146 -18.509 0.000) 18.633 ======================= Grid point 37 (23/96) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 1.334 24.233 0.000) 24.270 3.063 ( -10.099 16.193 0.000) 19.084 3.552 ( -0.848 14.696 0.000) 14.720 3.643 ( -3.936 17.605 0.000) 18.039 3.897 ( 4.281 9.009 0.000) 9.974 4.077 ( -7.454 4.698 0.000) 8.811 4.554 ( 13.898 17.464 0.000) 22.319 4.791 ( 4.979 5.582 0.000) 7.480 4.893 ( -0.056 12.350 0.000) 12.350 5.078 ( -6.826 2.494 0.000) 7.268 5.157 ( 0.953 4.487 0.000) 4.587 5.176 ( 1.647 -7.689 0.000) 7.863 5.240 ( -1.043 -2.666 0.000) 2.863 5.471 ( -13.064 -3.058 0.000) 13.417 5.572 ( 16.736 2.515 0.000) 16.924 5.919 ( -0.944 5.890 0.000) 5.965 6.208 ( -0.385 5.249 0.000) 5.263 6.217 ( 2.953 2.805 0.000) 4.073 6.494 ( 6.498 -1.330 0.000) 6.632 6.752 ( 12.841 15.506 0.000) 20.133 6.950 ( -12.322 -5.803 0.000) 13.620 7.088 ( -2.311 9.515 0.000) 9.792 7.391 ( -1.759 4.450 0.000) 4.785 7.554 ( -9.933 12.299 0.000) 15.809 7.642 ( 2.600 6.736 0.000) 7.220 7.794 ( -4.864 4.944 0.000) 6.935 8.189 ( 0.982 7.930 0.000) 7.991 8.204 ( 3.179 -2.724 0.000) 4.186 8.220 ( -0.165 11.189 0.000) 11.190 8.294 ( -1.055 -5.788 0.000) 5.883 8.478 ( 1.634 -4.347 0.000) 4.644 8.487 ( 0.065 -7.093 0.000) 7.094 8.864 ( 3.004 9.646 0.000) 10.103 9.012 ( -4.737 15.770 0.000) 16.466 9.062 ( 6.366 6.153 0.000) 8.854 9.254 ( -2.566 13.186 0.000) 13.433 9.973 ( 3.256 -2.489 0.000) 4.098 10.052 ( -0.049 0.921 0.000) 0.923 10.171 ( 3.226 -10.808 0.000) 11.279 10.235 ( 0.784 -5.445 0.000) 5.501 10.630 ( 0.226 -0.543 0.000) 0.588 10.708 ( -2.697 11.107 0.000) 11.430 10.995 ( 1.787 7.312 0.000) 7.527 11.172 ( -7.033 -6.068 0.000) 9.289 17.436 ( 0.732 1.486 0.000) 1.656 17.451 ( 0.404 0.941 0.000) 1.024 17.475 ( -0.904 1.843 0.000) 2.052 17.484 ( -1.495 1.554 0.000) 2.156 17.502 ( 0.773 1.380 0.000) 1.582 17.526 ( -0.472 1.984 0.000) 2.039 17.540 ( 2.379 -1.282 0.000) 2.703 17.622 ( -1.689 -0.920 0.000) 1.923 21.678 ( 0.748 4.080 0.000) 4.148 21.708 ( -0.703 2.932 0.000) 3.016 22.819 ( 5.078 -19.512 0.000) 20.162 23.035 ( -5.632 -24.612 0.000) 25.248 25.814 ( -0.065 0.435 0.000) 0.440 25.818 ( -0.299 1.306 0.000) 1.339 26.463 ( 1.734 -14.029 0.000) 14.135 26.526 ( -1.131 -13.429 0.000) 13.476 27.000 ( 1.558 11.405 0.000) 11.511 27.137 ( -4.911 12.453 0.000) 13.386 27.258 ( 5.207 0.258 0.000) 5.214 27.445 ( -4.025 2.928 0.000) 4.977 31.776 ( 0.674 -0.108 0.000) 0.683 31.805 ( -0.763 0.166 0.000) 0.781 31.825 ( 0.893 -1.168 0.000) 1.471 31.859 ( -0.776 -0.996 0.000) 1.262 51.331 ( 0.083 -0.622 0.000) 0.628 51.356 ( -1.023 -1.846 0.000) 2.110 51.765 ( 5.491 -12.031 0.000) 13.225 51.953 ( -4.022 -17.155 0.000) 17.620 ======================= Grid point 38 (24/96) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -5.482 20.437 0.000) 21.160 2.918 ( 5.482 20.437 0.000) 21.160 3.573 ( -2.960 16.615 0.000) 16.877 3.573 ( 2.960 16.615 0.000) 16.877 3.974 ( -4.353 6.443 0.000) 7.776 3.974 ( 4.353 6.443 0.000) 7.776 4.785 ( -9.525 15.942 0.000) 18.571 4.785 ( 9.525 15.942 0.000) 18.571 4.937 ( -7.766 4.662 0.000) 9.057 4.937 ( 7.766 4.662 0.000) 9.057 5.177 ( -1.016 -2.430 0.000) 2.633 5.177 ( 1.016 -2.430 0.000) 2.633 5.281 ( -6.441 -1.257 0.000) 6.563 5.281 ( 6.441 -1.257 0.000) 6.563 5.818 ( -9.478 4.811 0.000) 10.629 5.818 ( 9.478 4.811 0.000) 10.629 6.237 ( -1.394 0.542 0.000) 1.496 6.237 ( 1.394 0.542 0.000) 1.496 6.682 ( -14.002 0.964 0.000) 14.035 6.682 ( 14.002 0.964 0.000) 14.035 6.981 ( -9.856 6.198 0.000) 11.643 6.981 ( 9.856 6.198 0.000) 11.643 7.411 ( -4.451 9.722 0.000) 10.693 7.411 ( 4.451 9.722 0.000) 10.693 7.708 ( -4.365 5.875 0.000) 7.320 7.708 ( 4.365 5.875 0.000) 7.320 8.207 ( -0.998 8.725 0.000) 8.782 8.207 ( 0.998 8.725 0.000) 8.782 8.260 ( -2.618 -4.415 0.000) 5.132 8.260 ( 2.618 -4.415 0.000) 5.132 8.491 ( -0.049 -4.623 0.000) 4.624 8.491 ( 0.049 -4.623 0.000) 4.624 8.931 ( -4.123 12.649 0.000) 13.304 8.931 ( 4.123 12.649 0.000) 13.304 9.176 ( -5.626 9.056 0.000) 10.661 9.176 ( 5.626 9.056 0.000) 10.661 10.028 ( -2.417 -0.361 0.000) 2.443 10.028 ( 2.417 -0.361 0.000) 2.443 10.224 ( -2.039 -8.676 0.000) 8.912 10.224 ( 2.039 -8.676 0.000) 8.912 10.657 ( -2.528 5.937 0.000) 6.453 10.657 ( 2.528 5.937 0.000) 6.453 11.056 ( -5.023 1.302 0.000) 5.189 11.056 ( 5.023 1.302 0.000) 5.189 17.456 ( -1.338 1.823 0.000) 2.261 17.456 ( 1.338 1.823 0.000) 2.261 17.461 ( -0.756 1.149 0.000) 1.375 17.461 ( 0.756 1.149 0.000) 1.375 17.516 ( -0.659 1.792 0.000) 1.910 17.516 ( 0.659 1.792 0.000) 1.910 17.585 ( -2.337 -1.193 0.000) 2.624 17.585 ( 2.337 -1.193 0.000) 2.624 21.693 ( -0.834 3.569 0.000) 3.665 21.693 ( 0.834 3.569 0.000) 3.665 22.924 ( -6.119 -21.803 0.000) 22.645 22.924 ( 6.119 -21.803 0.000) 22.645 25.814 ( -0.117 0.872 0.000) 0.879 25.814 ( 0.117 0.872 0.000) 0.879 26.497 ( -1.866 -14.268 0.000) 14.390 26.497 ( 1.866 -14.268 0.000) 14.390 27.052 ( -3.980 12.466 0.000) 13.086 27.052 ( 3.981 12.466 0.000) 13.086 27.357 ( -5.307 1.495 0.000) 5.514 27.357 ( 5.307 1.495 0.000) 5.514 31.790 ( -0.830 0.033 0.000) 0.831 31.790 ( 0.830 0.033 0.000) 0.831 31.842 ( -0.955 -1.088 0.000) 1.447 31.842 ( 0.955 -1.088 0.000) 1.447 51.339 ( -0.756 -1.181 0.000) 1.402 51.339 ( 0.756 -1.181 0.000) 1.402 51.866 ( -5.305 -14.911 0.000) 15.827 51.866 ( 5.305 -14.911 0.000) 15.827 ======================= Grid point 42 (25/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 0.000 24.145 0.000) 24.145 3.562 ( 0.000 4.522 0.000) 4.522 3.623 ( 0.000 2.151 0.000) 2.151 3.856 ( 0.000 6.051 0.000) 6.051 4.322 ( 0.000 0.889 0.000) 0.889 4.390 ( 0.000 -10.579 0.000) 10.579 4.494 ( 0.000 31.145 0.000) 31.145 4.792 ( 0.000 0.778 0.000) 0.778 4.793 ( 0.000 11.516 0.000) 11.516 4.857 ( 0.000 0.735 0.000) 0.735 5.203 ( 0.000 -4.563 0.000) 4.563 5.284 ( 0.000 3.746 0.000) 3.746 5.290 ( 0.000 1.631 0.000) 1.631 5.339 ( 0.000 3.597 0.000) 3.597 5.581 ( 0.000 -13.730 0.000) 13.730 5.603 ( 0.000 -16.416 0.000) 16.416 6.278 ( 0.000 2.324 0.000) 2.324 6.323 ( 0.000 1.921 0.000) 1.921 6.537 ( 0.000 5.199 0.000) 5.199 6.634 ( 0.000 0.638 0.000) 0.638 7.197 ( 0.000 8.136 0.000) 8.136 7.400 ( 0.000 -4.425 0.000) 4.425 7.443 ( 0.000 15.001 0.000) 15.001 7.834 ( 0.000 -6.513 0.000) 6.513 7.926 ( 0.000 18.296 0.000) 18.296 7.949 ( 0.000 4.362 0.000) 4.362 8.061 ( 0.000 -4.191 0.000) 4.191 8.212 ( 0.000 -2.845 0.000) 2.845 8.296 ( 0.000 -6.517 0.000) 6.517 8.344 ( 0.000 8.242 0.000) 8.242 8.384 ( 0.000 0.501 0.000) 0.501 8.424 ( 0.000 2.553 0.000) 2.553 8.932 ( 0.000 4.457 0.000) 4.457 8.975 ( 0.000 1.996 0.000) 1.996 9.526 ( 0.000 13.426 0.000) 13.426 9.592 ( 0.000 17.490 0.000) 17.490 9.833 ( 0.000 -1.608 0.000) 1.608 9.923 ( 0.000 -6.619 0.000) 6.619 10.042 ( 0.000 1.403 0.000) 1.403 10.128 ( 0.000 -2.944 0.000) 2.944 10.548 ( 0.000 -2.014 0.000) 2.014 11.021 ( 0.000 9.862 0.000) 9.862 11.024 ( 0.000 -17.876 0.000) 17.876 11.129 ( 0.000 4.602 0.000) 4.602 17.439 ( 0.000 -0.001 0.000) 0.001 17.450 ( 0.000 0.296 0.000) 0.296 17.487 ( 0.000 0.311 0.000) 0.311 17.491 ( 0.000 0.275 0.000) 0.275 17.528 ( 0.000 0.959 0.000) 0.959 17.541 ( 0.000 0.635 0.000) 0.635 17.575 ( 0.000 2.303 0.000) 2.303 17.641 ( 0.000 -0.859 0.000) 0.859 21.810 ( 0.000 10.263 0.000) 10.263 21.861 ( 0.000 11.747 0.000) 11.747 22.373 ( 0.000 -17.078 0.000) 17.078 22.622 ( 0.000 -25.271 0.000) 25.271 25.860 ( 0.000 4.590 0.000) 4.590 25.886 ( 0.000 4.423 0.000) 4.423 26.187 ( 0.000 -10.887 0.000) 10.887 26.257 ( 0.000 -14.908 0.000) 14.908 27.151 ( 0.000 4.851 0.000) 4.851 27.168 ( 0.000 2.866 0.000) 2.866 27.440 ( 0.000 7.577 0.000) 7.577 27.576 ( 0.000 0.839 0.000) 0.839 31.763 ( 0.000 0.244 0.000) 0.244 31.786 ( 0.000 -0.874 0.000) 0.874 31.831 ( 0.000 0.630 0.000) 0.630 31.858 ( 0.000 -0.740 0.000) 0.740 51.350 ( 0.000 1.469 0.000) 1.469 51.377 ( 0.000 2.462 0.000) 2.462 51.498 ( 0.000 -6.084 0.000) 6.084 51.703 ( 0.000 -14.053 0.000) 14.053 ======================= Grid point 43 (26/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -2.924 22.718 0.000) 22.905 3.461 ( -6.923 8.472 0.000) 10.941 3.682 ( 2.824 -1.941 0.000) 3.427 3.812 ( -3.864 5.260 0.000) 6.527 4.241 ( -4.194 1.243 0.000) 4.374 4.427 ( -6.039 28.968 0.000) 29.591 4.531 ( 11.044 -2.731 0.000) 11.377 4.818 ( 2.931 4.448 0.000) 5.327 4.916 ( 10.548 5.304 0.000) 11.806 4.926 ( 6.329 -0.882 0.000) 6.391 5.189 ( -1.923 -0.990 0.000) 2.162 5.197 ( -7.571 -2.450 0.000) 7.957 5.324 ( 4.581 -1.569 0.000) 4.842 5.352 ( 1.262 7.227 0.000) 7.336 5.530 ( -4.854 -10.570 0.000) 11.632 5.697 ( 7.495 -13.712 0.000) 15.627 6.282 ( 0.013 2.929 0.000) 2.929 6.336 ( 1.899 -1.179 0.000) 2.236 6.465 ( -6.272 6.932 0.000) 9.349 6.675 ( 2.665 -3.399 0.000) 4.320 7.168 ( -2.871 8.597 0.000) 9.064 7.380 ( -1.683 -4.506 0.000) 4.810 7.407 ( -3.723 13.771 0.000) 14.265 7.780 ( -6.058 -5.590 0.000) 8.243 7.917 ( -0.797 17.822 0.000) 17.840 7.927 ( -1.572 4.960 0.000) 5.203 8.081 ( 1.893 -4.644 0.000) 5.015 8.198 ( -1.108 -3.743 0.000) 3.904 8.299 ( 0.325 -4.340 0.000) 4.352 8.349 ( 0.165 7.933 0.000) 7.935 8.412 ( 2.478 0.687 0.000) 2.572 8.442 ( 1.763 2.521 0.000) 3.076 8.957 ( 3.022 5.491 0.000) 6.268 9.029 ( 5.448 2.158 0.000) 5.860 9.442 ( -6.772 14.706 0.000) 16.191 9.578 ( -3.276 12.323 0.000) 12.751 9.862 ( 3.093 -1.504 0.000) 3.439 9.945 ( 2.377 -6.383 0.000) 6.811 10.065 ( 2.055 2.129 0.000) 2.959 10.145 ( 1.126 -2.558 0.000) 2.795 10.565 ( 2.249 -0.533 0.000) 2.312 10.990 ( -3.328 9.637 0.000) 10.195 11.015 ( -0.726 -15.863 0.000) 15.879 11.117 ( -1.380 3.711 0.000) 3.959 17.443 ( 0.471 0.325 0.000) 0.572 17.453 ( 0.349 0.176 0.000) 0.391 17.497 ( 1.072 0.234 0.000) 1.097 17.501 ( 1.073 0.323 0.000) 1.120 17.520 ( -0.848 1.005 0.000) 1.315 17.532 ( -0.908 0.626 0.000) 1.103 17.572 ( -0.303 2.139 0.000) 2.160 17.632 ( -0.961 -0.841 0.000) 1.277 21.815 ( 0.490 10.399 0.000) 10.411 21.858 ( -0.240 11.685 0.000) 11.688 22.390 ( 1.838 -17.540 0.000) 17.636 22.606 ( -1.738 -24.614 0.000) 24.675 25.859 ( -0.040 4.538 0.000) 4.538 25.882 ( -0.413 4.405 0.000) 4.424 26.190 ( 0.258 -11.234 0.000) 11.237 26.250 ( -0.685 -14.777 0.000) 14.793 27.149 ( 0.736 5.733 0.000) 5.780 27.209 ( 3.585 2.173 0.000) 4.192 27.411 ( -3.028 7.764 0.000) 8.333 27.552 ( -2.605 0.675 0.000) 2.691 31.767 ( 0.458 0.284 0.000) 0.538 31.791 ( 0.557 -0.881 0.000) 1.042 31.826 ( -0.513 0.617 0.000) 0.803 31.853 ( -0.476 -0.762 0.000) 0.898 51.347 ( -0.248 1.709 0.000) 1.727 51.372 ( -0.497 2.473 0.000) 2.523 51.516 ( 1.822 -6.921 0.000) 7.157 51.691 ( -1.271 -13.703 0.000) 13.761 ======================= Grid point 44 (27/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -2.282 19.978 0.000) 20.108 3.347 ( -5.066 12.856 0.000) 13.818 3.710 ( 0.534 -4.422 0.000) 4.454 3.747 ( -2.708 1.981 0.000) 3.355 4.200 ( -0.242 10.732 0.000) 10.735 4.312 ( -5.794 25.539 0.000) 26.188 4.745 ( 11.177 -5.117 0.000) 12.292 4.900 ( 5.695 5.706 0.000) 8.061 5.051 ( -0.500 -10.011 0.000) 10.023 5.062 ( 0.776 2.603 0.000) 2.716 5.091 ( 7.495 6.476 0.000) 9.905 5.129 ( -3.899 3.474 0.000) 5.222 5.352 ( -2.174 10.037 0.000) 10.270 5.360 ( -5.981 -6.703 0.000) 8.984 5.544 ( 11.076 -5.833 0.000) 12.518 5.803 ( 2.492 -12.346 0.000) 12.595 6.276 ( -0.414 2.706 0.000) 2.737 6.344 ( -5.868 7.275 0.000) 9.347 6.402 ( 5.472 -5.442 0.000) 7.718 6.678 ( -3.810 -10.667 0.000) 11.327 7.127 ( 0.112 11.354 0.000) 11.354 7.314 ( -6.217 11.294 0.000) 12.892 7.373 ( 1.856 -3.963 0.000) 4.376 7.627 ( -9.695 -3.921 0.000) 10.458 7.905 ( -0.434 15.267 0.000) 15.273 7.907 ( -0.594 7.186 0.000) 7.210 8.121 ( 2.197 -5.259 0.000) 5.699 8.179 ( -1.062 -4.777 0.000) 4.893 8.309 ( 0.773 0.207 0.000) 0.800 8.343 ( -0.741 6.947 0.000) 6.986 8.457 ( 2.107 0.854 0.000) 2.274 8.474 ( 1.352 1.864 0.000) 2.302 9.043 ( 6.178 8.044 0.000) 10.143 9.160 ( 8.329 2.924 0.000) 8.827 9.310 ( -7.446 13.469 0.000) 15.390 9.474 ( -7.490 7.317 0.000) 10.471 9.939 ( 4.966 -1.020 0.000) 5.070 10.006 ( 4.108 -5.844 0.000) 7.143 10.082 ( -0.936 1.595 0.000) 1.849 10.143 ( -1.672 -3.451 0.000) 3.835 10.643 ( 6.237 3.300 0.000) 7.057 10.903 ( -5.982 8.658 0.000) 10.524 11.009 ( 0.351 -10.316 0.000) 10.322 11.079 ( -2.548 1.048 0.000) 2.755 17.457 ( 1.031 0.676 0.000) 1.233 17.463 ( 0.755 0.318 0.000) 0.819 17.500 ( -1.185 0.909 0.000) 1.494 17.510 ( -1.462 0.723 0.000) 1.631 17.521 ( 1.352 0.549 0.000) 1.460 17.530 ( 1.999 -0.025 0.000) 1.999 17.563 ( -0.771 1.696 0.000) 1.863 17.607 ( -1.774 -0.729 0.000) 1.918 21.826 ( 0.751 10.746 0.000) 10.772 21.852 ( -0.502 11.489 0.000) 11.500 22.437 ( 3.127 -18.853 0.000) 19.110 22.561 ( -3.025 -22.912 0.000) 23.111 25.859 ( 0.097 4.431 0.000) 4.432 25.872 ( -0.548 4.367 0.000) 4.401 26.198 ( 0.646 -12.154 0.000) 12.171 26.233 ( -1.081 -14.269 0.000) 14.310 27.183 ( 2.936 7.061 0.000) 7.647 27.290 ( 5.051 1.199 0.000) 5.191 27.338 ( -4.630 8.015 0.000) 9.256 27.484 ( -4.659 0.472 0.000) 4.682 31.779 ( 0.811 0.383 0.000) 0.896 31.805 ( 0.930 -0.886 0.000) 1.285 31.813 ( -0.865 0.574 0.000) 1.038 31.841 ( -0.850 -0.814 0.000) 1.177 51.344 ( 0.037 2.121 0.000) 2.121 51.360 ( -0.687 2.476 0.000) 2.570 51.559 ( 2.724 -8.850 0.000) 9.259 51.658 ( -2.272 -12.652 0.000) 12.854 ======================= Grid point 45 (28/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -1.242 16.764 0.000) 16.810 3.288 ( 1.242 16.764 0.000) 16.810 3.717 ( -0.678 -2.389 0.000) 2.483 3.717 ( 0.678 -2.389 0.000) 2.483 4.228 ( -3.187 19.344 0.000) 19.605 4.228 ( 3.187 19.344 0.000) 19.605 4.916 ( -7.364 -8.626 0.000) 11.342 4.916 ( 7.364 -8.626 0.000) 11.342 5.022 ( -6.046 4.268 0.000) 7.401 5.022 ( 6.046 4.268 0.000) 7.401 5.187 ( -4.298 5.678 0.000) 7.121 5.187 ( 4.298 5.678 0.000) 7.121 5.273 ( -3.595 4.158 0.000) 5.497 5.273 ( 3.595 4.158 0.000) 5.497 5.750 ( -8.321 -9.781 0.000) 12.842 5.750 ( 8.322 -9.781 0.000) 12.842 6.279 ( -1.235 4.058 0.000) 4.241 6.279 ( 1.235 4.058 0.000) 4.241 6.541 ( -9.129 -9.698 0.000) 13.318 6.541 ( 9.129 -9.698 0.000) 13.318 7.194 ( -6.151 10.644 0.000) 12.293 7.194 ( 6.151 10.644 0.000) 12.293 7.461 ( -7.529 -3.327 0.000) 8.232 7.461 ( 7.529 -3.327 0.000) 8.232 7.902 ( -0.063 11.117 0.000) 11.117 7.902 ( 0.063 11.117 0.000) 11.117 8.156 ( -1.551 -5.282 0.000) 5.505 8.156 ( 1.551 -5.282 0.000) 5.505 8.326 ( -1.017 4.415 0.000) 4.531 8.326 ( 1.017 4.415 0.000) 4.531 8.482 ( -0.515 1.161 0.000) 1.270 8.482 ( 0.515 1.161 0.000) 1.270 9.172 ( -7.500 11.022 0.000) 13.331 9.172 ( 7.500 11.022 0.000) 13.331 9.320 ( -8.866 4.463 0.000) 9.926 9.320 ( 8.866 4.463 0.000) 9.926 10.030 ( -4.396 0.092 0.000) 4.397 10.030 ( 4.396 0.092 0.000) 4.397 10.086 ( -4.197 -4.992 0.000) 6.522 10.086 ( 4.197 -4.992 0.000) 6.522 10.776 ( -7.575 6.632 0.000) 10.069 10.776 ( 7.575 6.632 0.000) 10.069 11.033 ( -2.185 -3.744 0.000) 4.335 11.033 ( 2.185 -3.744 0.000) 4.335 17.478 ( -1.162 0.690 0.000) 1.352 17.478 ( 1.162 0.690 0.000) 1.352 17.483 ( -1.391 0.731 0.000) 1.571 17.483 ( 1.391 0.731 0.000) 1.571 17.544 ( -1.195 1.128 0.000) 1.643 17.544 ( 1.195 1.128 0.000) 1.643 17.570 ( -2.204 -0.458 0.000) 2.251 17.570 ( 2.204 -0.458 0.000) 2.251 21.840 ( -0.720 11.155 0.000) 11.178 21.840 ( 0.720 11.155 0.000) 11.178 22.500 ( -3.539 -20.786 0.000) 21.086 22.500 ( 3.539 -20.786 0.000) 21.086 25.863 ( -0.372 4.362 0.000) 4.378 25.863 ( 0.372 4.362 0.000) 4.378 26.213 ( -1.024 -13.309 0.000) 13.349 26.213 ( 1.024 -13.309 0.000) 13.349 27.252 ( -4.470 7.857 0.000) 9.039 27.252 ( 4.470 7.857 0.000) 9.039 27.389 ( -5.514 0.611 0.000) 5.547 27.389 ( 5.514 0.611 0.000) 5.547 31.796 ( -0.966 0.492 0.000) 1.084 31.796 ( 0.966 0.492 0.000) 1.084 31.823 ( -1.025 -0.864 0.000) 1.341 31.823 ( 1.025 -0.864 0.000) 1.341 51.349 ( -0.477 2.386 0.000) 2.433 51.349 ( 0.477 2.386 0.000) 2.433 51.610 ( -2.806 -10.953 0.000) 11.307 51.610 ( 2.806 -10.953 0.000) 11.307 ======================= Grid point 49 (29/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 0.000 -1.729 0.000) 1.729 3.626 ( 0.000 1.729 0.000) 1.729 3.779 ( 0.000 -14.316 0.000) 14.316 3.779 ( 0.000 14.316 0.000) 14.316 4.291 ( 0.000 -1.040 0.000) 1.040 4.291 ( 0.000 1.040 0.000) 1.040 4.818 ( 0.000 -1.262 0.000) 1.262 4.818 ( 0.000 1.262 0.000) 1.262 5.048 ( 0.000 -11.738 0.000) 11.738 5.048 ( 0.000 11.738 0.000) 11.738 5.074 ( 0.000 -23.966 0.000) 23.966 5.074 ( 0.000 23.966 0.000) 23.966 5.363 ( 0.000 -6.923 0.000) 6.923 5.363 ( 0.000 6.923 0.000) 6.923 5.411 ( 0.000 -3.130 0.000) 3.130 5.411 ( 0.000 3.130 0.000) 3.130 6.322 ( 0.000 -1.636 0.000) 1.636 6.322 ( 0.000 1.636 0.000) 1.636 6.599 ( 0.000 -2.183 0.000) 2.183 6.599 ( 0.000 2.183 0.000) 2.183 7.322 ( 0.000 -4.269 0.000) 4.269 7.322 ( 0.000 4.269 0.000) 4.269 7.680 ( 0.000 -9.332 0.000) 9.332 7.680 ( 0.000 9.332 0.000) 9.332 8.004 ( 0.000 -1.929 0.000) 1.929 8.004 ( 0.000 1.929 0.000) 1.929 8.204 ( 0.000 -2.296 0.000) 2.296 8.204 ( 0.000 2.296 0.000) 2.296 8.260 ( 0.000 -12.946 0.000) 12.946 8.260 ( 0.000 12.946 0.000) 12.946 8.441 ( 0.000 -1.626 0.000) 1.626 8.441 ( 0.000 1.626 0.000) 1.626 8.986 ( 0.000 -1.060 0.000) 1.060 8.986 ( 0.000 1.060 0.000) 1.060 9.722 ( 0.000 -4.321 0.000) 4.321 9.722 ( 0.000 4.321 0.000) 4.321 9.837 ( 0.000 -2.146 0.000) 2.146 9.837 ( 0.000 2.146 0.000) 2.146 10.080 ( 0.000 -2.149 0.000) 2.149 10.080 ( 0.000 2.149 0.000) 2.149 10.677 ( 0.000 -14.944 0.000) 14.944 10.677 ( 0.000 14.944 0.000) 14.944 11.147 ( 0.000 -2.792 0.000) 2.792 11.147 ( 0.000 2.792 0.000) 2.792 17.446 ( 0.000 -0.490 0.000) 0.490 17.446 ( 0.000 0.490 0.000) 0.490 17.492 ( 0.000 -0.139 0.000) 0.139 17.492 ( 0.000 0.139 0.000) 0.139 17.542 ( 0.000 -0.393 0.000) 0.393 17.542 ( 0.000 0.393 0.000) 0.393 17.616 ( 0.000 -1.715 0.000) 1.715 17.616 ( 0.000 1.715 0.000) 1.715 22.058 ( 0.000 -14.595 0.000) 14.595 22.058 ( 0.000 14.595 0.000) 14.595 22.174 ( 0.000 -19.728 0.000) 19.728 22.174 ( 0.000 19.728 0.000) 19.728 26.004 ( 0.000 -7.652 0.000) 7.652 26.004 ( 0.000 7.652 0.000) 7.652 26.005 ( 0.000 -10.205 0.000) 10.205 26.005 ( 0.000 10.205 0.000) 10.205 27.199 ( 0.000 -0.184 0.000) 0.184 27.199 ( 0.000 0.184 0.000) 0.184 27.550 ( 0.000 -3.487 0.000) 3.487 27.550 ( 0.000 3.487 0.000) 3.487 31.771 ( 0.000 -0.593 0.000) 0.593 31.771 ( 0.000 0.593 0.000) 0.593 31.844 ( 0.000 -0.690 0.000) 0.690 31.844 ( 0.000 0.690 0.000) 0.690 51.401 ( 0.000 -3.734 0.000) 3.734 51.401 ( 0.000 3.734 0.000) 3.734 51.482 ( 0.000 -8.281 0.000) 8.281 51.482 ( 0.000 8.281 0.000) 8.281 ======================= Grid point 51 (30/96) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -2.058 -5.794 0.000) 6.149 3.604 ( -2.058 5.794 0.000) 6.149 3.721 ( -5.203 -13.446 0.000) 14.418 3.721 ( -5.203 13.446 0.000) 14.418 4.360 ( 6.332 -9.875 0.000) 11.730 4.360 ( 6.332 9.875 0.000) 11.731 4.838 ( 0.625 -8.746 0.000) 8.768 4.838 ( 0.625 8.746 0.000) 8.768 5.004 ( -4.395 -16.232 0.000) 16.817 5.004 ( -4.395 16.232 0.000) 16.817 5.109 ( 6.200 -8.685 0.000) 10.672 5.109 ( 6.200 8.685 0.000) 10.672 5.347 ( -1.506 -5.747 0.000) 5.941 5.347 ( -1.506 5.747 0.000) 5.941 5.485 ( 5.905 -6.983 0.000) 9.145 5.485 ( 5.905 6.983 0.000) 9.145 6.318 ( -0.274 -1.205 0.000) 1.236 6.318 ( -0.274 1.205 0.000) 1.236 6.574 ( -2.933 -5.219 0.000) 5.987 6.574 ( -2.933 5.219 0.000) 5.987 7.298 ( -1.985 -4.498 0.000) 4.917 7.298 ( -1.985 4.498 0.000) 4.917 7.631 ( -5.165 -9.148 0.000) 10.505 7.631 ( -5.165 9.148 0.000) 10.505 8.005 ( 0.346 -3.299 0.000) 3.317 8.005 ( 0.346 3.299 0.000) 3.317 8.148 ( -3.494 -3.140 0.000) 4.698 8.148 ( -3.494 3.140 0.000) 4.698 8.323 ( 4.280 -7.885 0.000) 8.972 8.323 ( 4.280 7.885 0.000) 8.972 8.452 ( 0.823 -2.319 0.000) 2.461 8.452 ( 0.823 2.319 0.000) 2.461 9.033 ( 4.936 -1.934 0.000) 5.302 9.033 ( 4.936 1.935 0.000) 5.302 9.650 ( -6.835 -4.982 0.000) 8.458 9.650 ( -6.835 4.982 0.000) 8.458 9.865 ( 2.903 -1.911 0.000) 3.476 9.865 ( 2.903 1.911 0.000) 3.476 10.106 ( 1.563 -1.752 0.000) 2.348 10.106 ( 1.563 1.752 0.000) 2.348 10.702 ( 2.995 -13.882 0.000) 14.202 10.702 ( 2.995 13.882 0.000) 14.202 11.120 ( -2.985 -3.357 0.000) 4.492 11.120 ( -2.985 3.357 0.000) 4.492 17.450 ( 0.519 -0.365 0.000) 0.635 17.450 ( 0.519 0.365 0.000) 0.635 17.502 ( 1.056 -0.186 0.000) 1.072 17.502 ( 1.056 0.186 0.000) 1.072 17.534 ( -0.849 -0.389 0.000) 0.933 17.534 ( -0.849 0.389 0.000) 0.933 17.610 ( -0.724 -1.526 0.000) 1.689 17.610 ( -0.724 1.526 0.000) 1.689 22.067 ( 0.986 -14.925 0.000) 14.958 22.067 ( 0.986 14.925 0.000) 14.958 22.168 ( -0.683 -19.369 0.000) 19.381 22.168 ( -0.683 19.369 0.000) 19.381 26.001 ( -0.279 -7.807 0.000) 7.812 26.001 ( -0.279 7.807 0.000) 7.812 26.002 ( -0.289 -10.027 0.000) 10.031 26.002 ( -0.289 10.027 0.000) 10.031 27.219 ( 2.232 -1.448 0.000) 2.660 27.219 ( 2.232 1.448 0.000) 2.660 27.523 ( -2.796 -3.588 0.000) 4.549 27.523 ( -2.796 3.588 0.000) 4.549 31.776 ( 0.526 -0.618 0.000) 0.812 31.776 ( 0.526 0.619 0.000) 0.812 31.839 ( -0.513 -0.703 0.000) 0.871 31.839 ( -0.513 0.703 0.000) 0.871 51.405 ( 0.480 -4.259 0.000) 4.286 51.405 ( 0.480 4.259 0.000) 4.286 51.475 ( -0.687 -8.098 0.000) 8.127 51.475 ( -0.687 8.098 0.000) 8.127 ======================= Grid point 53 (31/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -1.336 -9.463 0.000) 9.557 3.569 ( -1.336 9.463 0.000) 9.557 3.626 ( -4.534 -12.471 0.000) 13.270 3.626 ( -4.534 12.471 0.000) 13.270 4.488 ( 7.171 -16.171 0.000) 17.690 4.488 ( 7.171 16.171 0.000) 17.690 4.763 ( -7.421 -18.878 0.000) 20.285 4.763 ( -7.421 18.878 0.000) 20.285 5.021 ( 5.106 -5.553 0.000) 7.544 5.021 ( 5.106 5.553 0.000) 7.544 5.201 ( -0.124 -4.340 0.000) 4.342 5.201 ( -0.124 4.340 0.000) 4.342 5.365 ( 6.545 -10.978 0.000) 12.781 5.365 ( 6.545 10.978 0.000) 12.781 5.564 ( 1.555 -11.207 0.000) 11.314 5.564 ( 1.555 11.207 0.000) 11.314 6.323 ( 1.263 -2.635 0.000) 2.922 6.323 ( 1.263 2.635 0.000) 2.922 6.488 ( -6.155 -8.156 0.000) 10.218 6.488 ( -6.155 8.156 0.000) 10.218 7.284 ( 1.416 -5.421 0.000) 5.603 7.284 ( 1.416 5.421 0.000) 5.603 7.503 ( -8.129 -7.961 0.000) 11.378 7.503 ( -8.129 7.961 0.000) 11.378 8.022 ( 1.457 -4.838 0.000) 5.052 8.022 ( 1.457 4.838 0.000) 5.052 8.094 ( -2.472 -4.747 0.000) 5.352 8.094 ( -2.472 4.747 0.000) 5.352 8.393 ( 3.248 -6.587 0.000) 7.345 8.393 ( 3.248 6.587 0.000) 7.345 8.459 ( -0.245 -3.895 0.000) 3.903 8.459 ( -0.245 3.895 0.000) 3.903 9.159 ( 8.457 -3.146 0.000) 9.024 9.159 ( 8.457 3.146 0.000) 9.024 9.500 ( -9.022 -4.752 0.000) 10.197 9.500 ( -9.022 4.752 0.000) 10.197 9.938 ( 4.858 -1.306 0.000) 5.031 9.938 ( 4.858 1.306 0.000) 5.031 10.102 ( -2.254 -1.042 0.000) 2.483 10.102 ( -2.254 1.042 0.000) 2.483 10.790 ( 6.341 -10.730 0.000) 12.464 10.790 ( 6.341 10.730 0.000) 12.464 11.040 ( -5.666 -4.820 0.000) 7.439 11.040 ( -5.666 4.820 0.000) 7.439 17.465 ( 1.028 -0.134 0.000) 1.036 17.465 ( 1.028 0.134 0.000) 1.036 17.513 ( -1.347 -0.326 0.000) 1.386 17.513 ( -1.347 0.326 0.000) 1.386 17.528 ( 1.691 -0.249 0.000) 1.709 17.528 ( 1.691 0.249 0.000) 1.709 17.590 ( -1.369 -1.071 0.000) 1.738 17.590 ( -1.369 1.071 0.000) 1.738 22.091 ( 1.591 -15.837 0.000) 15.917 22.091 ( 1.591 15.837 0.000) 15.917 22.150 ( -1.288 -18.400 0.000) 18.445 22.150 ( -1.288 18.400 0.000) 18.445 25.996 ( -0.277 -8.247 0.000) 8.252 25.996 ( -0.277 8.247 0.000) 8.252 25.996 ( -0.290 -9.540 0.000) 9.544 25.996 ( -0.290 9.540 0.000) 9.544 27.278 ( 4.056 -2.629 0.000) 4.834 27.278 ( 4.056 2.629 0.000) 4.834 27.453 ( -4.620 -3.667 0.000) 5.899 27.453 ( -4.620 3.667 0.000) 5.899 31.790 ( 0.903 -0.675 0.000) 1.127 31.790 ( 0.903 0.675 0.000) 1.127 31.826 ( -0.891 -0.724 0.000) 1.147 31.826 ( -0.891 0.724 0.000) 1.147 51.418 ( 0.898 -5.413 0.000) 5.487 51.418 ( 0.898 5.413 0.000) 5.487 51.458 ( -1.106 -7.538 0.000) 7.619 51.458 ( -1.106 7.538 0.000) 7.619 ======================= Grid point 55 (32/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -1.542 -11.443 0.000) 11.547 3.569 ( 1.542 -11.443 0.000) 11.547 3.569 ( -1.542 11.443 0.000) 11.547 3.569 ( 1.542 11.443 0.000) 11.547 4.622 ( -7.573 -18.724 0.000) 20.197 4.622 ( 7.573 -18.724 0.000) 20.197 4.622 ( -7.573 18.724 0.000) 20.197 4.622 ( 7.573 18.724 0.000) 20.197 5.129 ( -5.771 -5.788 0.000) 8.174 5.129 ( 5.771 -5.788 0.000) 8.174 5.129 ( -5.771 5.788 0.000) 8.174 5.129 ( 5.771 5.788 0.000) 8.174 5.516 ( -6.736 -13.392 0.000) 14.990 5.516 ( 6.736 -13.392 0.000) 14.990 5.516 ( -6.736 13.392 0.000) 14.990 5.516 ( 6.736 13.392 0.000) 14.990 6.378 ( -4.899 -6.370 0.000) 8.036 6.378 ( 4.899 -6.370 0.000) 8.036 6.378 ( -4.899 6.370 0.000) 8.036 6.378 ( 4.899 6.370 0.000) 8.036 7.361 ( -6.617 -6.515 0.000) 9.286 7.361 ( 6.617 -6.515 0.000) 9.286 7.361 ( -6.617 6.515 0.000) 9.286 7.361 ( 6.618 6.515 0.000) 9.286 8.054 ( -1.960 -5.325 0.000) 5.674 8.054 ( 1.960 -5.325 0.000) 5.674 8.054 ( -1.960 5.325 0.000) 5.674 8.054 ( 1.960 5.325 0.000) 5.674 8.440 ( -1.802 -5.419 0.000) 5.711 8.440 ( 1.802 -5.419 0.000) 5.711 8.440 ( -1.802 5.419 0.000) 5.711 8.440 ( 1.802 5.419 0.000) 5.711 9.328 ( -9.589 -3.992 0.000) 10.386 9.328 ( -9.589 3.992 0.000) 10.386 9.328 ( 9.589 -3.992 0.000) 10.386 9.328 ( 9.589 3.992 0.000) 10.386 10.032 ( -4.919 -0.760 0.000) 4.978 10.032 ( -4.919 0.760 0.000) 4.978 10.032 ( 4.919 -0.760 0.000) 4.978 10.032 ( 4.919 0.760 0.000) 4.978 10.919 ( -7.220 -7.248 0.000) 10.230 10.919 ( 7.220 -7.248 0.000) 10.230 10.919 ( -7.220 7.248 0.000) 10.230 10.919 ( 7.220 7.248 0.000) 10.230 17.487 ( -1.371 -0.174 0.000) 1.382 17.487 ( -1.371 0.174 0.000) 1.382 17.487 ( 1.371 -0.174 0.000) 1.382 17.487 ( 1.371 0.174 0.000) 1.382 17.561 ( -1.761 -0.571 0.000) 1.852 17.561 ( -1.761 0.571 0.000) 1.852 17.561 ( 1.761 -0.571 0.000) 1.852 17.561 ( 1.761 0.571 0.000) 1.852 22.122 ( -1.659 -17.105 0.000) 17.185 22.122 ( 1.659 -17.105 0.000) 17.185 22.122 ( -1.659 17.105 0.000) 17.185 22.122 ( 1.659 17.105 0.000) 17.185 25.993 ( -0.006 -8.881 0.000) 8.882 25.993 ( 0.006 -8.881 0.000) 8.881 25.993 ( -0.006 8.882 0.000) 8.882 25.993 ( 0.006 8.882 0.000) 8.882 27.363 ( -5.000 -3.388 0.000) 6.040 27.363 ( 5.000 -3.388 0.000) 6.040 27.363 ( -5.000 3.388 0.000) 6.040 27.363 ( 5.000 3.388 0.000) 6.040 31.808 ( -1.034 -0.718 0.000) 1.259 31.808 ( 1.034 -0.718 0.000) 1.259 31.808 ( -1.034 0.718 0.000) 1.259 31.808 ( 1.034 0.718 0.000) 1.259 51.437 ( -1.152 -6.608 0.000) 6.708 51.437 ( 1.152 -6.608 0.000) 6.708 51.437 ( -1.152 6.608 0.000) 6.708 51.437 ( 1.152 6.608 0.000) 6.708 ======================= Grid point 105 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 0.000 17.634) 17.634 0.787 ( 0.000 0.000 38.949) 38.949 1.216 ( 0.000 0.000 -7.797) 7.797 1.365 ( 0.000 0.000 64.986) 64.986 2.692 ( 0.000 0.000 8.369) 8.369 2.999 ( 0.000 0.000 -23.810) 23.810 3.239 ( 0.000 0.000 -3.888) 3.888 3.280 ( 0.000 0.000 7.134) 7.134 3.761 ( 0.000 0.000 -0.418) 0.418 3.825 ( 0.000 0.000 -5.397) 5.397 4.156 ( 0.000 0.000 2.068) 2.068 4.324 ( 0.000 0.000 -1.953) 1.953 4.500 ( 0.000 0.000 1.772) 1.772 4.668 ( 0.000 0.000 -1.881) 1.881 4.850 ( 0.000 0.000 -11.798) 11.798 4.901 ( 0.000 0.000 5.073) 5.073 4.970 ( 0.000 0.000 -3.143) 3.143 5.589 ( 0.000 0.000 9.858) 9.858 5.924 ( 0.000 0.000 -0.858) 0.858 6.029 ( 0.000 0.000 -25.382) 25.382 6.920 ( 0.000 0.000 10.929) 10.929 6.937 ( 0.000 0.000 1.413) 1.413 7.055 ( 0.000 0.000 -1.281) 1.281 7.061 ( 0.000 0.000 0.632) 0.632 7.111 ( 0.000 0.000 -0.482) 0.482 7.384 ( 0.000 0.000 13.666) 13.666 7.624 ( 0.000 0.000 -6.710) 6.710 7.738 ( 0.000 0.000 1.203) 1.203 8.091 ( 0.000 0.000 0.383) 0.383 8.128 ( 0.000 0.000 -2.761) 2.761 8.177 ( 0.000 0.000 9.740) 9.740 8.759 ( 0.000 0.000 7.962) 7.962 9.071 ( 0.000 0.000 0.593) 0.593 9.093 ( 0.000 0.000 3.068) 3.068 9.145 ( 0.000 0.000 -1.365) 1.365 9.216 ( 0.000 0.000 0.790) 0.790 9.242 ( 0.000 0.000 -0.118) 0.118 9.512 ( 0.000 0.000 -12.047) 12.047 9.933 ( 0.000 0.000 -6.298) 6.298 9.963 ( 0.000 0.000 -5.581) 5.581 10.705 ( 0.000 0.000 3.022) 3.022 11.045 ( 0.000 0.000 -6.226) 6.226 11.572 ( 0.000 0.000 5.908) 5.908 12.028 ( 0.000 0.000 -5.097) 5.097 17.249 ( 0.000 0.000 0.268) 0.268 17.276 ( 0.000 0.000 -0.366) 0.366 17.317 ( 0.000 0.000 0.166) 0.166 17.325 ( 0.000 0.000 -0.060) 0.060 17.418 ( 0.000 0.000 -0.049) 0.049 17.428 ( 0.000 0.000 -0.194) 0.194 17.714 ( 0.000 0.000 2.450) 2.450 17.983 ( 0.000 0.000 -4.211) 4.211 23.121 ( 0.000 0.000 14.622) 14.622 23.430 ( 0.000 0.000 0.352) 0.352 23.462 ( 0.000 0.000 -0.359) 0.359 24.122 ( 0.000 0.000 -8.896) 8.896 25.449 ( 0.000 0.000 0.555) 0.555 25.532 ( 0.000 0.000 -1.348) 1.348 25.676 ( 0.000 0.000 0.039) 0.039 25.679 ( 0.000 0.000 -0.036) 0.036 26.009 ( 0.000 0.000 1.751) 1.751 26.205 ( 0.000 0.000 -3.116) 3.116 27.673 ( 0.000 0.000 11.755) 11.755 28.706 ( 0.000 0.000 -12.338) 12.338 31.871 ( 0.000 0.000 0.978) 0.978 31.952 ( 0.000 0.000 1.725) 1.725 31.962 ( 0.000 0.000 -0.825) 0.825 32.001 ( 0.000 0.000 0.335) 0.335 51.577 ( 0.000 0.000 9.047) 9.047 52.264 ( 0.000 0.000 -6.583) 6.583 53.550 ( 0.000 0.000 0.973) 0.973 53.695 ( 0.000 0.000 -2.475) 2.475 ======================= Grid point 106 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 29.456 0.000 8.468) 30.649 0.884 ( 16.706 0.000 26.144) 31.026 1.325 ( 10.669 0.000 -5.767) 12.128 1.738 ( 28.072 0.000 40.657) 49.406 2.694 ( 0.196 0.000 3.450) 3.456 2.963 ( -4.838 0.000 2.604) 5.494 3.143 ( -1.564 0.000 -23.270) 23.323 3.206 ( -7.595 0.000 5.389) 9.313 3.584 ( -19.740 0.000 -2.702) 19.924 3.962 ( 14.781 0.000 1.374) 14.845 4.225 ( 2.619 0.000 0.085) 2.621 4.360 ( 0.196 0.000 -3.478) 3.484 4.520 ( 6.090 0.000 3.762) 7.158 4.599 ( -8.948 0.000 4.681) 10.098 4.728 ( 4.642 0.000 -1.967) 5.042 4.900 ( -6.837 0.000 -0.304) 6.844 5.214 ( 11.977 0.000 -6.519) 13.636 5.526 ( 0.656 0.000 1.369) 1.518 5.728 ( -22.814 0.000 6.085) 23.612 6.240 ( 15.461 0.000 -17.306) 23.207 6.777 ( -10.055 0.000 5.778) 11.597 6.944 ( 0.751 0.000 1.351) 1.546 7.049 ( -0.884 0.000 0.215) 0.909 7.059 ( 0.144 0.000 -0.767) 0.780 7.106 ( -0.526 0.000 -0.533) 0.749 7.118 ( -21.252 0.000 4.534) 21.730 7.479 ( -15.505 0.000 8.598) 17.729 7.641 ( -0.283 0.000 -4.815) 4.823 8.104 ( 3.167 0.000 5.888) 6.685 8.135 ( 0.114 0.000 6.884) 6.885 8.296 ( 18.144 0.000 7.328) 19.568 8.919 ( -3.296 0.000 -0.342) 3.313 9.081 ( 0.978 0.000 0.548) 1.122 9.150 ( 0.479 0.000 -1.355) 1.438 9.209 ( -0.695 0.000 0.852) 1.099 9.238 ( -0.526 0.000 -0.141) 0.545 9.239 ( 16.939 0.000 -3.645) 17.327 9.543 ( 2.235 0.000 -0.153) 2.240 9.870 ( 1.206 0.000 -14.178) 14.229 10.069 ( 1.650 0.000 -13.532) 13.632 10.666 ( -4.965 0.000 2.622) 5.614 10.914 ( -10.064 0.000 -0.343) 10.070 11.643 ( 7.267 0.000 5.217) 8.946 12.152 ( 5.743 0.000 -12.683) 13.922 17.255 ( 0.560 0.000 0.241) 0.610 17.279 ( 0.276 0.000 -0.327) 0.428 17.313 ( -0.342 0.000 0.143) 0.371 17.321 ( -0.480 0.000 -0.050) 0.483 17.362 ( -3.161 0.000 2.648) 4.123 17.411 ( -1.013 0.000 -0.044) 1.014 17.805 ( 5.755 0.000 -3.507) 6.739 17.976 ( -0.716 0.000 -4.050) 4.113 22.951 ( -18.876 0.000 24.919) 31.261 23.338 ( -36.084 0.000 27.229) 45.205 23.430 ( 0.003 0.000 0.305) 0.305 23.457 ( -0.444 0.000 -0.310) 0.542 25.441 ( 0.168 0.000 -0.382) 0.417 25.519 ( -1.225 0.000 -1.603) 2.018 25.678 ( 0.142 0.000 0.033) 0.146 25.680 ( 0.093 0.000 -0.031) 0.098 26.033 ( 2.553 0.000 1.924) 3.197 26.220 ( -0.456 0.000 -1.329) 1.406 28.378 ( 35.907 0.000 -26.042) 44.357 28.757 ( 5.288 0.000 -13.142) 14.166 31.861 ( -0.921 0.000 -1.001) 1.360 31.894 ( -3.056 0.000 -1.854) 3.575 32.009 ( 2.883 0.000 3.006) 4.165 32.041 ( 2.526 0.000 3.427) 4.257 51.599 ( 2.555 0.000 9.264) 9.610 52.140 ( -10.788 0.000 6.081) 12.384 53.330 ( -10.389 0.000 8.790) 13.608 53.650 ( -4.734 0.000 -3.239) 5.736 ======================= Grid point 107 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 25.327 0.000 4.589) 25.740 1.320 ( 26.643 0.000 8.868) 28.080 1.538 ( 10.075 0.000 -1.474) 10.182 2.052 ( 0.035 0.000 8.240) 8.241 2.583 ( -1.951 0.000 -10.120) 10.306 3.041 ( -8.636 0.000 1.633) 8.789 3.049 ( -10.779 0.000 -31.295) 33.099 3.214 ( -18.649 0.000 -1.601) 18.717 3.287 ( 36.307 0.000 28.899) 46.404 4.158 ( 5.805 0.000 12.525) 13.805 4.254 ( 1.294 0.000 0.204) 1.310 4.322 ( -2.600 0.000 -0.790) 2.718 4.567 ( 0.793 0.000 9.847) 9.879 4.675 ( 8.127 0.000 1.155) 8.209 4.790 ( -1.039 0.000 -1.053) 1.479 4.793 ( 1.814 0.000 -1.444) 2.318 5.109 ( -33.980 0.000 15.649) 37.410 5.199 ( -13.203 0.000 3.113) 13.564 5.780 ( 20.439 0.000 -10.001) 22.754 6.441 ( 2.476 0.000 -5.341) 5.887 6.617 ( -8.467 0.000 2.613) 8.861 6.761 ( -13.345 0.000 -0.140) 13.346 6.964 ( 1.402 0.000 1.185) 1.835 7.025 ( -1.628 0.000 0.719) 1.780 7.066 ( 0.528 0.000 -0.998) 1.129 7.093 ( -0.819 0.000 -0.671) 1.059 7.383 ( 3.109 0.000 -7.852) 8.445 7.606 ( -3.861 0.000 -11.664) 12.286 8.129 ( 0.145 0.000 5.822) 5.824 8.146 ( 0.501 0.000 2.999) 3.041 8.630 ( 14.544 0.000 11.569) 18.584 8.837 ( -3.418 0.000 4.468) 5.626 9.105 ( 1.624 0.000 0.393) 1.671 9.156 ( -0.208 0.000 -1.022) 1.043 9.197 ( -0.246 0.000 0.712) 0.754 9.224 ( -0.933 0.000 -0.175) 0.949 9.499 ( 12.617 0.000 0.609) 12.632 9.618 ( 6.855 0.000 -3.678) 7.779 9.882 ( -2.891 0.000 -10.865) 11.243 10.025 ( -6.842 0.000 -12.181) 13.971 10.554 ( -3.588 0.000 1.381) 3.845 10.749 ( -8.063 0.000 -2.695) 8.502 11.812 ( 10.422 0.000 3.216) 10.907 12.148 ( -5.164 0.000 -6.942) 8.652 17.269 ( 0.944 0.000 0.174) 0.959 17.286 ( 0.493 0.000 -0.229) 0.544 17.304 ( -0.693 0.000 0.093) 0.699 17.309 ( -0.730 0.000 -0.032) 0.731 17.339 ( 0.204 0.000 0.912) 0.934 17.386 ( -1.601 0.000 -0.337) 1.636 17.883 ( 3.032 0.000 -3.878) 4.923 17.957 ( -1.337 0.000 -3.701) 3.935 22.686 ( -5.118 0.000 24.924) 25.444 22.951 ( -14.747 0.000 13.471) 19.974 23.431 ( 0.169 0.000 0.178) 0.245 23.447 ( -0.609 0.000 -0.178) 0.635 25.452 ( 0.835 0.000 -1.045) 1.338 25.494 ( -1.408 0.000 -1.725) 2.227 25.681 ( 0.158 0.000 0.017) 0.158 25.682 ( 0.076 0.000 -0.019) 0.079 26.089 ( 3.320 0.000 1.853) 3.802 26.194 ( -2.102 0.000 0.178) 2.110 28.739 ( 9.529 0.000 -13.544) 16.561 28.856 ( 3.345 0.000 -14.416) 14.799 31.844 ( -0.840 0.000 -2.357) 2.502 31.852 ( -1.461 0.000 -2.978) 3.317 32.056 ( 2.025 0.000 5.443) 5.807 32.074 ( 1.053 0.000 5.793) 5.888 51.672 ( 5.275 0.000 9.823) 11.149 51.948 ( -9.595 0.000 11.535) 15.004 53.284 ( 3.303 0.000 -0.409) 3.328 53.534 ( -7.497 0.000 -4.549) 8.769 ======================= Grid point 108 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -7.596 0.000 2.394) 7.965 1.584 ( 7.596 0.000 2.394) 7.965 1.783 ( -22.812 0.000 5.227) 23.403 1.783 ( 22.812 0.000 5.227) 23.403 2.771 ( -16.738 0.000 -25.599) 30.585 2.771 ( 16.738 0.000 -25.599) 30.585 2.982 ( -4.607 0.000 -1.067) 4.729 2.982 ( 4.607 0.000 -1.067) 4.729 4.007 ( -32.109 0.000 27.839) 42.497 4.007 ( 32.109 0.000 27.839) 42.497 4.282 ( -1.799 0.000 0.229) 1.814 4.282 ( 1.799 0.000 0.229) 1.814 4.558 ( -8.400 0.000 8.643) 12.053 4.558 ( 8.400 0.000 8.643) 12.053 4.782 ( -3.227 0.000 -0.398) 3.252 4.782 ( 3.227 0.000 -0.398) 3.252 4.977 ( -12.441 0.000 4.107) 13.101 4.977 ( 12.441 0.000 4.107) 13.101 6.175 ( -21.732 0.000 -8.529) 23.346 6.175 ( 21.732 0.000 -8.529) 23.346 6.629 ( -4.565 0.000 3.744) 5.904 6.629 ( 4.565 0.000 3.744) 5.904 6.993 ( -1.763 0.000 0.960) 2.007 6.993 ( 1.763 0.000 0.960) 2.007 7.078 ( -0.787 0.000 -0.851) 1.159 7.078 ( 0.787 0.000 -0.851) 1.159 7.498 ( -7.306 0.000 -15.563) 17.192 7.498 ( 7.306 0.000 -15.563) 17.192 8.139 ( -0.915 0.000 3.898) 4.004 8.139 ( 0.915 0.000 3.898) 4.004 8.786 ( -3.724 0.000 8.923) 9.668 8.786 ( 3.724 0.000 8.923) 9.668 9.136 ( -1.611 0.000 -0.005) 1.611 9.136 ( 1.611 0.000 -0.005) 1.611 9.206 ( -0.952 0.000 -0.040) 0.953 9.206 ( 0.952 0.000 -0.040) 0.953 9.740 ( -4.083 0.000 -6.077) 7.321 9.740 ( 4.083 0.000 -6.077) 7.321 9.807 ( -7.855 0.000 -2.568) 8.264 9.807 ( 7.855 0.000 -2.568) 8.264 10.605 ( -7.154 0.000 -4.309) 8.352 10.605 ( 7.154 0.000 -4.309) 8.352 12.003 ( -9.838 0.000 -0.597) 9.856 12.003 ( 9.838 0.000 -0.597) 9.856 17.287 ( -0.992 0.000 0.084) 0.996 17.287 ( 0.992 0.000 0.084) 0.996 17.297 ( -0.594 0.000 -0.082) 0.600 17.297 ( 0.594 0.000 -0.082) 0.600 17.357 ( -1.482 0.000 -0.215) 1.497 17.357 ( 1.482 0.000 -0.215) 1.497 17.927 ( -1.942 0.000 -3.525) 4.024 17.927 ( 1.942 0.000 -3.525) 4.024 22.732 ( -8.449 0.000 15.151) 17.348 22.732 ( 8.449 0.000 15.151) 17.348 23.437 ( -0.450 0.000 0.001) 0.450 23.437 ( 0.450 0.000 0.001) 0.450 25.470 ( -1.162 0.000 -1.451) 1.858 25.470 ( 1.162 0.000 -1.451) 1.858 25.683 ( -0.046 0.000 -0.002) 0.046 25.683 ( 0.046 0.000 -0.002) 0.046 26.148 ( -2.937 0.000 1.154) 3.156 26.148 ( 2.937 0.000 1.154) 3.156 28.851 ( -3.404 0.000 -10.931) 11.449 28.851 ( 3.404 0.000 -10.931) 11.449 31.837 ( -0.225 0.000 -2.961) 2.970 31.837 ( 0.225 0.000 -2.961) 2.970 32.080 ( -0.484 0.000 6.339) 6.358 32.080 ( 0.484 0.000 6.339) 6.358 51.790 ( -7.581 0.000 10.759) 13.162 51.790 ( 7.581 0.000 10.759) 13.162 53.392 ( -7.469 0.000 -4.404) 8.670 53.392 ( 7.469 0.000 -4.404) 8.670 ======================= Grid point 112 (37/96) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 23.148 27.867) 36.227 1.118 ( 0.000 26.171 28.786) 38.905 1.674 ( 0.000 45.400 35.405) 57.573 1.732 ( 0.000 41.841 -3.383) 41.978 2.792 ( 0.000 10.712 4.701) 11.698 3.000 ( 0.000 0.971 -21.934) 21.955 3.261 ( 0.000 3.179 -3.946) 5.067 3.373 ( 0.000 7.422 5.619) 9.309 3.803 ( 0.000 6.379 1.870) 6.647 3.936 ( 0.000 10.420 -4.321) 11.281 4.306 ( 0.000 14.002 2.624) 14.246 4.569 ( 0.000 20.872 -3.997) 21.252 4.615 ( 0.000 8.518 -1.579) 8.664 4.792 ( 0.000 9.594 -3.341) 10.159 4.922 ( 0.000 3.262 10.407) 10.906 4.984 ( 0.000 3.964 -6.115) 7.287 5.008 ( 0.000 17.558 -8.778) 19.630 5.559 ( 0.000 -0.976 9.849) 9.897 5.910 ( 0.000 -1.134 -1.216) 1.663 6.031 ( 0.000 0.490 -24.846) 24.851 6.763 ( 0.000 -9.719 6.482) 11.683 6.980 ( 0.000 -0.493 0.598) 0.775 7.092 ( 0.000 -1.863 10.274) 10.442 7.210 ( 0.000 14.615 -2.867) 14.893 7.220 ( 0.000 10.488 -0.452) 10.498 7.542 ( 0.000 15.161 6.432) 16.469 7.588 ( 0.000 -3.638 -5.821) 6.864 7.784 ( 0.000 5.834 1.703) 6.078 7.979 ( 0.000 -7.182 9.983) 12.298 8.105 ( 0.000 -3.883 6.679) 7.726 8.116 ( 0.000 -1.208 -2.984) 3.219 8.728 ( 0.000 -2.972 7.788) 8.335 9.038 ( 0.000 -2.995 1.446) 3.326 9.052 ( 0.000 -2.747 -2.923) 4.011 9.171 ( 0.000 -1.792 2.428) 3.018 9.234 ( 0.000 -0.646 0.666) 0.928 9.405 ( 0.000 13.407 -2.002) 13.556 9.589 ( 0.000 7.189 -8.077) 10.813 9.952 ( 0.000 2.606 -6.397) 6.907 10.133 ( 0.000 10.387 -15.604) 18.744 10.682 ( 0.000 -2.675 2.720) 3.815 11.005 ( 0.000 -4.068 -6.413) 7.594 11.464 ( 0.000 -10.303 6.285) 12.069 11.809 ( 0.000 -13.800 2.531) 14.030 17.276 ( 0.000 1.834 -0.936) 2.059 17.287 ( 0.000 1.095 -0.395) 1.164 17.327 ( 0.000 1.066 0.183) 1.081 17.337 ( 0.000 1.246 -0.139) 1.254 17.423 ( 0.000 0.507 -0.033) 0.508 17.436 ( 0.000 0.745 -0.239) 0.782 17.674 ( 0.000 -2.283 2.324) 3.258 17.921 ( 0.000 -5.794 -3.730) 6.891 22.590 ( 0.000 -33.614 29.577) 44.774 22.915 ( 0.000 -18.621 11.507) 21.889 23.490 ( 0.000 1.614 0.472) 1.681 24.709 ( 0.000 2.817 -41.109) 41.205 25.609 ( 0.000 7.764 -1.065) 7.837 25.626 ( 0.000 13.670 -5.139) 14.604 25.857 ( 0.000 16.178 1.358) 16.235 25.930 ( 0.000 8.463 -0.099) 8.464 26.158 ( 0.000 26.654 -7.442) 27.673 26.201 ( 0.000 0.061 -2.468) 2.469 27.603 ( 0.000 -7.040 11.113) 13.155 28.566 ( 0.000 -13.132 -10.461) 16.789 31.861 ( 0.000 -1.010 0.933) 1.375 31.934 ( 0.000 -1.739 1.554) 2.332 31.950 ( 0.000 -1.236 -1.075) 1.638 31.970 ( 0.000 -2.216 0.755) 2.341 51.559 ( 0.000 -1.724 8.646) 8.816 52.222 ( 0.000 -4.166 -6.403) 7.639 52.803 ( 0.000 -44.470 41.448) 60.791 53.572 ( 0.000 -12.079 -3.566) 12.594 ======================= Grid point 113 (38/96) ======================= q-point: ( 0.17 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 7.060 19.237 24.154) 31.676 1.274 ( 15.284 25.432 20.544) 36.090 1.825 ( 10.799 41.225 -2.185) 42.672 2.023 ( 23.016 35.109 20.449) 46.696 2.763 ( -4.215 7.016 -1.050) 8.252 2.967 ( -1.126 1.939 1.098) 2.497 3.144 ( -4.652 2.905 -16.318) 17.215 3.371 ( -3.774 13.303 4.369) 14.502 3.728 ( -15.762 13.059 -2.503) 20.621 3.960 ( 12.118 2.115 1.839) 12.438 4.409 ( 4.465 13.680 0.822) 14.413 4.532 ( -3.088 12.742 0.286) 13.114 4.610 ( 2.194 11.142 0.352) 11.361 4.752 ( -1.299 14.004 0.110) 14.065 4.878 ( 1.502 12.609 1.935) 12.845 4.929 ( -3.785 7.313 0.249) 8.238 5.239 ( 8.353 3.619 -5.906) 10.851 5.520 ( 1.328 0.879 2.257) 2.763 5.737 ( -19.318 1.691 4.917) 20.006 6.167 ( 11.037 -3.949 -17.363) 20.950 6.643 ( -8.310 -10.358 2.631) 13.538 6.922 ( -15.806 -4.416 8.384) 18.429 7.054 ( 5.657 1.812 -3.682) 6.988 7.203 ( -1.472 11.948 -0.343) 12.043 7.214 ( 0.134 13.929 -1.722) 14.036 7.429 ( -5.646 19.157 -0.573) 19.980 7.587 ( -7.193 1.779 2.997) 7.993 7.616 ( -7.324 7.266 -1.650) 10.448 8.048 ( 4.583 -4.972 6.558) 9.420 8.096 ( -0.169 -3.796 6.846) 7.830 8.271 ( 16.340 -2.321 5.397) 17.364 8.867 ( 1.106 -4.808 0.834) 5.004 9.023 ( 5.946 -6.420 0.640) 8.774 9.089 ( 1.570 -0.969 -0.122) 1.849 9.168 ( -0.157 -2.258 2.303) 3.229 9.228 ( -0.743 -0.250 -0.059) 0.786 9.455 ( 5.531 12.619 -1.579) 13.868 9.629 ( 3.317 7.525 -3.742) 9.035 9.929 ( -0.613 4.756 -10.555) 11.593 10.133 ( -1.218 5.624 -15.312) 16.358 10.636 ( -5.187 -2.983 2.843) 6.625 10.895 ( -9.263 -1.820 -2.367) 9.733 11.522 ( 6.012 -11.612 5.503) 14.186 11.903 ( 5.568 -18.599 -3.970) 19.816 17.280 ( 0.443 1.828 -0.828) 2.055 17.290 ( 0.289 1.101 -0.390) 1.204 17.324 ( -0.391 1.077 0.151) 1.156 17.332 ( -0.545 1.253 -0.062) 1.368 17.381 ( -3.051 1.689 1.676) 3.869 17.417 ( -0.965 0.556 0.018) 1.114 17.746 ( 5.179 -4.131 -1.164) 6.726 17.915 ( -0.624 -5.683 -3.540) 6.724 22.528 ( -4.788 -25.250 27.309) 37.500 22.873 ( -4.895 -19.106 10.909) 22.539 23.496 ( 0.672 2.566 -0.007) 2.653 24.242 ( -35.096 24.699 -18.559) 46.757 25.559 ( -3.748 12.854 -0.479) 13.397 25.595 ( -1.344 7.708 -1.194) 7.915 25.830 ( -2.511 14.218 2.247) 14.611 25.850 ( -2.702 13.631 1.698) 13.999 26.076 ( 0.931 7.001 1.895) 7.313 26.218 ( -0.681 0.328 -0.672) 1.012 28.182 ( 34.101 -17.515 -15.534) 41.364 28.602 ( 3.598 -14.118 -9.748) 17.530 31.852 ( -0.832 -0.917 -0.781) 1.463 31.881 ( -2.867 -1.236 -1.737) 3.573 31.990 ( 2.566 -1.743 2.585) 4.038 32.012 ( 2.730 -2.504 3.166) 4.874 51.579 ( 2.337 -1.940 8.906) 9.410 52.083 ( -10.700 -5.634 7.900) 14.444 52.914 ( 8.887 -29.912 16.977) 35.523 53.528 ( -4.651 -11.961 -4.096) 13.471 ======================= Grid point 114 (39/96) ======================= q-point: ( 0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 24.845 8.924 9.301) 27.990 1.619 ( 20.414 19.433 12.953) 31.019 2.025 ( 7.741 40.611 -1.447) 41.367 2.189 ( -8.051 19.733 2.425) 21.449 2.624 ( -1.802 5.638 -10.803) 12.318 2.953 ( -12.709 -3.300 -22.096) 25.703 3.167 ( 0.648 10.642 7.457) 13.011 3.385 ( 2.824 11.846 5.983) 13.568 3.522 ( 11.384 22.991 6.122) 26.375 4.122 ( 5.639 1.018 10.058) 11.575 4.483 ( 0.951 7.972 3.457) 8.741 4.503 ( 1.235 19.921 0.174) 19.960 4.646 ( 1.996 11.713 5.668) 13.165 4.792 ( 0.281 3.373 -1.294) 3.623 4.850 ( 3.741 15.231 3.002) 15.968 4.948 ( 1.412 15.096 -1.202) 15.210 5.151 ( -23.133 3.347 10.216) 25.509 5.205 ( -21.304 2.311 6.859) 22.500 5.776 ( 18.248 1.129 -7.807) 19.880 6.325 ( 3.095 -7.243 -8.069) 11.277 6.536 ( -4.186 -12.023 0.389) 12.737 6.603 ( -14.913 -1.860 1.598) 15.113 7.135 ( 1.628 5.296 -4.004) 6.836 7.184 ( -0.844 13.375 0.113) 13.402 7.234 ( 3.263 14.584 -3.393) 15.325 7.364 ( -2.758 21.996 0.813) 22.183 7.445 ( -2.143 8.052 -1.816) 8.528 7.571 ( -2.988 -1.464 -11.011) 11.503 8.082 ( 0.214 -4.455 5.688) 7.228 8.100 ( 0.325 -4.418 3.733) 5.793 8.582 ( 14.280 -4.383 10.024) 17.989 8.808 ( -3.529 -2.870 3.805) 5.930 9.114 ( 1.623 -2.387 0.242) 2.897 9.137 ( 3.571 -3.750 0.027) 5.178 9.171 ( 0.467 -0.710 1.155) 1.434 9.205 ( -1.804 -0.113 -0.287) 1.830 9.608 ( 10.948 10.133 0.215) 14.919 9.696 ( 4.401 7.166 -3.920) 9.278 9.911 ( -3.130 3.328 -9.791) 10.804 10.081 ( -5.738 5.327 -11.766) 14.133 10.526 ( -3.591 -2.629 1.567) 4.718 10.728 ( -8.607 -1.848 -3.198) 9.366 11.663 ( 8.693 -14.218 3.446) 17.018 11.926 ( -2.981 -19.402 -3.686) 19.973 17.289 ( 0.483 1.513 -0.269) 1.611 17.298 ( 0.598 1.277 -0.421) 1.472 17.312 ( -0.763 1.034 0.203) 1.301 17.321 ( -0.547 1.223 -0.033) 1.340 17.354 ( -0.128 1.426 0.839) 1.659 17.394 ( -1.474 0.718 -0.251) 1.659 17.823 ( 3.200 -4.886 -2.455) 6.336 17.898 ( -1.226 -5.407 -3.105) 6.355 22.486 ( 1.207 -15.788 19.701) 25.275 22.738 ( -9.182 -16.884 10.600) 21.948 23.520 ( 2.207 5.555 -1.019) 6.063 23.774 ( -15.892 21.050 -5.431) 26.929 25.529 ( -0.108 8.651 -0.306) 8.657 25.566 ( -1.641 7.462 -1.236) 7.740 25.808 ( -0.273 11.729 1.463) 11.823 25.821 ( -0.988 12.249 0.842) 12.318 26.116 ( 2.553 3.717 1.664) 4.806 26.195 ( -1.635 0.509 0.201) 1.724 28.572 ( 11.015 -16.728 -12.900) 23.824 28.673 ( 3.174 -16.353 -9.418) 19.137 31.836 ( -0.810 -0.773 -2.178) 2.449 31.841 ( -1.363 -1.009 -2.818) 3.290 32.034 ( 1.953 -2.112 4.988) 5.758 32.049 ( 1.235 -2.369 5.221) 5.865 51.646 ( 4.918 -2.473 9.442) 10.930 51.903 ( -8.826 -4.385 11.232) 14.943 53.082 ( 9.308 -17.784 0.925) 20.094 53.411 ( -7.800 -11.993 -4.862) 15.110 ======================= Grid point 115 (40/96) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -18.389 2.932 6.125) 19.603 1.783 ( 18.389 2.932 6.125) 19.603 2.015 ( -6.984 34.811 2.994) 35.631 2.015 ( 6.984 34.811 2.994) 35.631 2.725 ( -9.648 2.174 -20.354) 22.630 2.725 ( 9.648 2.174 -20.354) 22.630 3.204 ( -8.076 15.417 -1.983) 17.516 3.204 ( 8.076 15.417 -1.983) 17.516 4.081 ( -21.334 9.491 19.298) 30.292 4.081 ( 21.334 9.491 19.298) 30.292 4.475 ( -7.818 12.927 3.106) 15.423 4.475 ( 7.818 12.927 3.106) 15.423 4.648 ( -5.161 13.019 7.495) 15.885 4.648 ( 5.161 13.019 7.495) 15.885 4.925 ( -2.145 9.585 1.106) 9.884 4.925 ( 2.145 9.585 1.106) 9.884 4.982 ( -8.124 4.850 3.521) 10.095 4.982 ( 8.124 4.850 3.521) 10.095 6.128 ( -19.000 -3.408 -6.948) 20.515 6.128 ( 19.000 -3.408 -6.948) 20.515 6.505 ( -1.960 -7.030 0.633) 7.326 6.505 ( 1.960 -7.030 0.633) 7.326 7.157 ( -1.585 11.255 -1.461) 11.459 7.157 ( 1.585 11.255 -1.461) 11.459 7.302 ( -3.552 17.201 -0.001) 17.564 7.302 ( 3.552 17.201 -0.001) 17.564 7.494 ( -4.915 2.496 -12.164) 13.355 7.494 ( 4.915 2.496 -12.164) 13.355 8.092 ( -0.872 -4.527 4.287) 6.296 8.092 ( 0.872 -4.527 4.287) 6.296 8.747 ( -4.497 -3.727 7.740) 9.697 8.747 ( 4.497 -3.727 7.740) 9.697 9.153 ( -2.034 -4.137 -0.142) 4.612 9.153 ( 2.034 -4.137 -0.142) 4.612 9.177 ( -0.324 1.736 0.564) 1.854 9.177 ( 0.324 1.736 0.564) 1.854 9.783 ( -1.920 4.562 -6.380) 8.075 9.783 ( 1.920 4.562 -6.380) 8.075 9.887 ( -10.485 7.747 -2.169) 13.216 9.887 ( 10.485 7.747 -2.169) 13.216 10.577 ( -7.315 -2.525 -4.233) 8.821 10.577 ( 7.315 -2.525 -4.233) 8.821 11.819 ( -7.815 -17.068 0.252) 18.774 11.819 ( 7.815 -17.068 0.252) 18.774 17.299 ( -0.618 0.999 0.051) 1.176 17.299 ( 0.618 0.999 0.051) 1.176 17.310 ( -0.629 1.442 -0.188) 1.585 17.310 ( 0.629 1.442 -0.188) 1.585 17.367 ( -1.277 1.002 -0.113) 1.627 17.367 ( 1.277 1.002 -0.113) 1.627 17.869 ( -1.941 -5.113 -2.713) 6.105 17.869 ( 1.941 -5.113 -2.713) 6.105 22.573 ( -7.711 -14.184 13.079) 20.778 22.573 ( 7.711 -14.184 13.079) 20.778 23.589 ( -5.892 11.363 -2.399) 13.023 23.589 ( 5.892 11.363 -2.399) 13.023 25.540 ( -1.136 7.471 -0.896) 7.610 25.540 ( 1.136 7.471 -0.896) 7.610 25.809 ( -0.384 11.545 0.948) 11.590 25.809 ( 0.384 11.545 0.948) 11.590 26.160 ( -2.184 1.834 0.925) 2.998 26.160 ( 2.184 1.834 0.925) 2.998 28.684 ( -2.391 -16.164 -9.343) 18.822 28.684 ( 2.391 -16.164 -9.343) 18.822 31.828 ( -0.127 -0.833 -2.809) 2.933 31.828 ( 0.127 -0.833 -2.809) 2.933 32.056 ( -0.420 -2.234 5.829) 6.256 32.056 ( 0.420 -2.234 5.829) 6.256 51.757 ( -7.057 -3.258 10.290) 12.896 51.757 ( 7.057 -3.258 10.290) 12.896 53.253 ( -9.173 -13.238 -4.076) 16.613 53.253 ( 9.173 -13.238 -4.076) 16.613 ======================= Grid point 119 (41/96) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 18.619 38.065) 42.374 1.611 ( 0.000 33.519 14.703) 36.602 2.518 ( 0.000 32.523 5.248) 32.944 2.840 ( 0.000 59.505 5.965) 59.804 3.067 ( 0.000 8.273 -16.149) 18.145 3.128 ( 0.000 20.477 -10.194) 22.874 3.379 ( 0.000 9.315 -1.244) 9.398 3.555 ( 0.000 15.406 8.566) 17.627 4.041 ( 0.000 15.866 5.021) 16.641 4.186 ( 0.000 13.539 -2.645) 13.795 4.640 ( 0.000 17.751 2.686) 17.954 4.788 ( 0.000 9.997 -7.802) 12.681 4.803 ( 0.000 2.434 -7.424) 7.813 4.916 ( 0.000 1.599 5.804) 6.020 5.095 ( 0.000 14.743 -1.949) 14.871 5.351 ( 0.000 27.844 1.506) 27.885 5.497 ( 0.000 27.620 -2.359) 27.720 5.617 ( 0.000 9.923 8.226) 12.889 5.904 ( 0.000 1.215 -1.673) 2.068 6.080 ( 0.000 6.331 -23.493) 24.331 6.597 ( 0.000 -6.614 7.170) 9.755 6.950 ( 0.000 -0.986 1.871) 2.115 6.997 ( 0.000 -6.393 12.826) 14.331 7.465 ( 0.000 -0.371 -6.457) 6.468 7.485 ( 0.000 14.980 -0.719) 14.997 7.542 ( 0.000 8.515 -4.748) 9.750 7.854 ( 0.000 -1.325 9.748) 9.838 7.897 ( 0.000 19.211 2.613) 19.388 7.951 ( 0.000 0.527 5.683) 5.707 8.070 ( 0.000 6.616 2.498) 7.072 8.087 ( 0.000 -1.362 -3.200) 3.478 8.658 ( 0.000 -3.426 7.172) 7.948 8.947 ( 0.000 -7.798 -8.203) 11.318 8.963 ( 0.000 -4.488 1.028) 4.605 9.094 ( 0.000 -5.705 3.072) 6.480 9.193 ( 0.000 -4.548 2.766) 5.323 9.692 ( 0.000 15.904 -0.169) 15.905 9.756 ( 0.000 8.656 -2.472) 9.002 10.070 ( 0.000 9.866 -6.610) 11.876 10.234 ( 0.000 0.330 -9.162) 9.168 10.588 ( 0.000 -6.699 2.995) 7.338 10.884 ( 0.000 -8.520 -6.956) 10.999 11.211 ( 0.000 -13.780 7.757) 15.814 11.627 ( 0.000 -5.172 -4.339) 6.751 17.310 ( 0.000 1.764 -0.734) 1.910 17.318 ( 0.000 1.975 -0.552) 2.051 17.357 ( 0.000 1.897 0.298) 1.920 17.373 ( 0.000 2.228 -0.255) 2.243 17.437 ( 0.000 0.907 0.075) 0.910 17.456 ( 0.000 1.276 -0.348) 1.323 17.646 ( 0.000 -0.747 0.088) 0.752 17.783 ( 0.000 -7.469 -2.400) 7.845 22.118 ( 0.000 -17.754 17.753) 25.108 22.487 ( 0.000 -22.743 7.585) 23.974 23.474 ( 0.000 -4.116 0.485) 4.144 24.499 ( 0.000 -18.053 -25.840) 31.522 25.796 ( 0.000 8.677 -0.711) 8.707 25.815 ( 0.000 3.553 -2.927) 4.604 26.069 ( 0.000 11.685 2.375) 11.924 26.178 ( 0.000 10.775 -2.060) 10.971 26.295 ( 0.000 15.251 4.105) 15.794 26.702 ( 0.000 23.123 -9.722) 25.083 27.407 ( 0.000 -12.449 9.393) 15.595 28.223 ( 0.000 -20.948 -9.108) 22.842 31.835 ( 0.000 -1.541 0.825) 1.748 31.892 ( 0.000 -2.304 1.195) 2.595 31.913 ( 0.000 -2.339 -0.820) 2.479 31.934 ( 0.000 -1.467 -0.371) 1.514 51.513 ( 0.000 -2.769 7.436) 7.935 52.107 ( 0.000 -7.272 -5.872) 9.346 52.176 ( 0.000 -21.965 32.200) 38.978 53.247 ( 0.000 -20.001 -5.603) 20.771 ======================= Grid point 120 (42/96) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.099 25.632 25.552) 36.325 1.690 ( 8.831 23.548 19.024) 31.534 2.610 ( 9.527 31.171 3.902) 32.828 2.912 ( -13.400 7.505 -8.626) 17.615 2.975 ( 6.958 49.671 -3.735) 50.295 3.140 ( -2.149 15.265 -13.768) 20.669 3.369 ( 7.477 26.615 7.534) 28.653 3.619 ( 0.733 10.989 4.612) 11.941 4.039 ( -8.733 17.133 -0.665) 19.242 4.108 ( 6.970 12.676 3.625) 14.913 4.596 ( -7.981 7.962 5.227) 12.426 4.797 ( -2.230 3.166 -8.046) 8.929 4.841 ( 11.232 16.795 0.073) 20.205 4.957 ( 2.640 9.295 1.513) 9.781 5.155 ( 2.735 12.395 1.389) 12.769 5.342 ( 0.446 26.746 0.676) 26.758 5.443 ( -7.196 17.958 1.743) 19.425 5.646 ( 2.231 13.571 -0.514) 13.763 5.828 ( -7.249 8.094 3.489) 11.412 6.150 ( 6.367 4.476 -20.190) 21.638 6.458 ( -10.441 -7.124 4.009) 13.260 6.859 ( -12.149 -1.660 10.050) 15.854 7.039 ( 6.312 -1.994 -3.542) 7.508 7.434 ( -0.780 3.578 -1.508) 3.960 7.503 ( -2.373 3.420 -5.511) 6.906 7.534 ( 1.015 15.891 -2.453) 16.111 7.803 ( -2.200 11.859 3.667) 12.606 7.883 ( -5.698 8.319 3.237) 10.590 7.978 ( 3.253 3.455 4.061) 6.245 8.032 ( -1.642 3.101 5.749) 6.735 8.219 ( 12.834 -2.405 2.561) 13.306 8.752 ( 4.022 -6.202 3.295) 8.094 8.911 ( 1.979 -5.593 -1.546) 6.131 9.012 ( 1.373 -6.142 -1.733) 6.527 9.090 ( 0.727 -5.758 1.572) 6.013 9.196 ( 0.011 -4.112 1.966) 4.557 9.731 ( 4.438 14.989 -0.032) 15.633 9.798 ( 3.833 9.008 -2.168) 10.027 10.067 ( -0.568 9.944 -7.725) 12.605 10.212 ( -1.668 1.326 -9.449) 9.686 10.551 ( -3.987 -5.451 3.120) 7.439 10.834 ( -5.548 -4.953 -5.916) 9.503 11.230 ( 2.547 -16.392 6.910) 17.970 11.602 ( -2.775 -10.516 -4.029) 11.599 17.314 ( 0.344 1.716 -0.649) 1.867 17.320 ( 0.263 1.936 -0.498) 2.016 17.354 ( -0.301 1.894 0.195) 1.927 17.370 ( -0.376 2.368 -0.361) 2.424 17.419 ( -2.310 1.894 0.361) 3.009 17.433 ( -0.998 1.171 0.199) 1.551 17.683 ( 2.975 -2.243 -0.752) 3.801 17.781 ( -0.201 -7.178 -2.231) 7.520 22.124 ( 0.903 -16.879 16.186) 23.403 22.453 ( -3.635 -22.028 7.517) 23.557 23.498 ( 2.676 -3.378 -0.218) 4.315 24.319 ( -17.322 -10.330 -20.636) 28.855 25.782 ( -1.447 8.644 -0.959) 8.816 25.787 ( -2.562 5.996 -1.839) 6.774 26.066 ( -0.231 11.980 2.294) 12.200 26.163 ( -2.087 15.091 -0.381) 15.239 26.280 ( -1.558 11.884 3.298) 12.431 26.428 ( -13.668 21.773 1.521) 25.753 27.794 ( 25.464 -20.088 -3.608) 32.634 28.243 ( 1.873 -21.660 -8.169) 23.225 31.828 ( -0.655 -1.431 -0.372) 1.617 31.851 ( -2.317 -1.644 -1.438) 3.185 31.952 ( 1.726 -1.944 1.279) 2.897 31.956 ( 2.460 -2.953 2.320) 4.490 51.528 ( 1.742 -3.110 7.778) 8.556 51.932 ( -9.086 -9.243 11.006) 17.004 52.421 ( 15.632 -19.636 9.148) 26.714 53.207 ( -4.325 -19.743 -5.678) 20.993 ======================= Grid point 121 (43/96) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 14.235 21.096 12.978) 28.568 1.895 ( 10.949 13.601 15.461) 23.322 2.633 ( -12.348 15.318 -2.085) 19.785 2.841 ( 11.760 22.423 -1.121) 25.345 2.919 ( -13.916 28.123 -4.190) 31.656 3.065 ( -0.920 26.103 -20.900) 33.452 3.480 ( -2.005 19.689 3.870) 20.166 3.659 ( -0.833 17.811 4.370) 18.358 4.059 ( 17.433 28.693 4.693) 33.900 4.245 ( 7.863 12.735 7.238) 16.626 4.579 ( 3.934 4.355 7.672) 9.659 4.723 ( -2.058 3.153 -2.629) 4.592 4.985 ( 3.763 16.295 0.800) 16.743 5.025 ( 1.602 17.431 2.182) 17.640 5.131 ( -5.873 3.639 3.488) 7.740 5.307 ( -4.729 20.289 3.071) 21.058 5.362 ( 0.046 25.430 -0.490) 25.435 5.402 ( -22.876 18.025 8.060) 30.219 5.887 ( 10.289 9.809 -1.100) 14.258 6.229 ( -2.432 -1.981 -10.497) 10.955 6.349 ( 2.020 -3.583 -2.598) 4.865 6.626 ( -11.624 5.024 2.009) 12.822 7.146 ( 5.545 -2.971 -9.844) 11.683 7.390 ( -6.207 -5.861 -9.110) 12.484 7.481 ( 2.559 14.359 2.192) 14.749 7.551 ( 0.284 14.835 -1.212) 14.887 7.776 ( -0.841 14.830 1.306) 14.911 7.802 ( -2.693 12.110 1.409) 12.485 8.002 ( 0.050 1.358 3.909) 4.139 8.017 ( -0.385 0.796 4.569) 4.653 8.477 ( 12.943 -5.845 6.350) 15.557 8.727 ( -3.548 -5.232 2.611) 6.840 9.000 ( 1.849 -7.943 -0.567) 8.175 9.024 ( 2.330 -6.560 0.803) 7.007 9.125 ( 2.462 -5.087 -0.755) 5.702 9.190 ( -0.525 -3.135 1.353) 3.455 9.848 ( 6.821 10.949 -0.207) 12.902 9.876 ( 5.364 12.315 -2.411) 13.647 10.030 ( -3.290 8.054 -6.910) 11.110 10.195 ( -1.880 5.154 -9.021) 10.559 10.470 ( -2.472 -2.174 1.756) 3.731 10.694 ( -8.922 -1.276 -4.596) 10.117 11.306 ( 5.386 -20.378 4.182) 21.488 11.526 ( -5.409 -18.458 -2.164) 19.356 17.320 ( 0.296 1.731 -0.315) 1.785 17.327 ( 0.284 1.706 -0.239) 1.746 17.348 ( -0.276 2.074 -0.207) 2.103 17.358 ( -0.721 2.521 -0.324) 2.642 17.390 ( -0.532 2.066 0.659) 2.233 17.414 ( -1.153 1.325 -0.046) 1.757 17.731 ( 2.122 -4.005 -1.315) 4.719 17.775 ( -0.525 -6.400 -1.867) 6.688 22.162 ( 3.371 -16.107 12.683) 20.776 22.361 ( -6.041 -19.876 7.843) 22.205 23.576 ( 5.963 -1.499 -2.192) 6.528 23.981 ( -17.079 -0.985 -11.441) 20.580 25.742 ( -1.546 8.752 -0.752) 8.920 25.755 ( -1.546 9.117 -0.843) 9.286 26.063 ( 0.047 12.751 2.399) 12.974 26.107 ( -2.875 17.913 3.361) 18.451 26.259 ( -0.043 7.890 0.507) 7.907 26.308 ( -2.623 15.643 1.071) 15.898 28.138 ( 11.994 -24.830 -6.722) 28.383 28.276 ( 1.241 -23.275 -6.623) 24.231 31.815 ( -0.671 -1.283 -1.757) 2.276 31.818 ( -1.141 -1.180 -2.399) 2.907 31.984 ( 1.530 -2.698 3.620) 4.767 31.992 ( 1.285 -3.178 4.029) 5.290 51.580 ( 3.929 -4.030 8.335) 10.057 51.787 ( -7.014 -7.014 10.182) 14.215 52.694 ( 13.726 -19.912 0.603) 24.192 53.093 ( -7.932 -19.301 -5.438) 21.564 ======================= Grid point 122 (44/96) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -11.237 11.463 9.168) 18.485 1.913 ( 11.237 11.463 9.168) 18.485 2.614 ( -12.431 18.376 -0.060) 22.185 2.614 ( 12.431 18.376 -0.060) 22.185 3.029 ( -5.600 29.666 -12.649) 32.732 3.029 ( 5.600 29.666 -12.649) 32.732 3.516 ( -7.904 17.695 1.755) 19.460 3.516 ( 7.904 17.695 1.755) 19.460 4.357 ( -5.486 15.446 7.074) 17.852 4.357 ( 5.486 15.446 7.074) 17.852 4.710 ( -18.711 14.442 2.069) 23.727 4.710 ( 18.711 14.442 2.069) 23.727 4.931 ( -7.456 4.155 6.484) 10.719 4.931 ( 7.456 4.155 6.484) 10.719 5.092 ( -5.011 20.449 7.570) 22.373 5.092 ( 5.011 20.449 7.570) 22.373 5.341 ( -2.718 23.791 -0.292) 23.948 5.341 ( 2.718 23.791 -0.292) 23.948 6.087 ( -10.522 -0.647 -2.960) 10.950 6.087 ( 10.522 -0.647 -2.960) 10.950 6.456 ( -7.345 4.552 -3.606) 9.363 6.456 ( 7.345 4.552 -3.606) 9.363 7.260 ( -7.048 -3.823 -11.818) 14.281 7.260 ( 7.048 -3.823 -11.818) 14.281 7.535 ( -2.200 14.077 1.043) 14.286 7.535 ( 2.200 14.077 1.043) 14.286 7.774 ( -0.635 13.797 0.393) 13.817 7.774 ( 0.635 13.797 0.393) 13.817 8.006 ( -0.578 0.805 4.169) 4.285 8.006 ( 0.578 0.805 4.169) 4.285 8.649 ( -5.876 -6.022 4.958) 9.766 8.649 ( 5.876 -6.022 4.958) 9.766 9.025 ( -1.802 -7.957 -0.013) 8.158 9.025 ( 1.802 -7.957 -0.013) 8.158 9.171 ( -1.910 -3.433 0.383) 3.947 9.171 ( 1.910 -3.433 0.383) 3.947 9.930 ( -3.357 9.426 -4.366) 10.917 9.930 ( 3.357 9.426 -4.366) 10.917 10.071 ( -9.570 9.509 -2.201) 13.669 10.071 ( 9.570 9.509 -2.201) 13.669 10.533 ( -7.830 -0.763 -3.999) 8.825 10.533 ( 7.830 -0.763 -3.999) 8.825 11.415 ( -6.272 -21.719 0.977) 22.628 11.415 ( 6.272 -21.719 0.977) 22.628 17.325 ( -0.303 1.701 -0.004) 1.728 17.325 ( 0.303 1.701 -0.004) 1.728 17.349 ( -0.327 2.269 -0.346) 2.318 17.349 ( 0.327 2.269 -0.346) 2.318 17.394 ( -0.830 1.730 0.080) 1.921 17.394 ( 0.830 1.730 0.080) 1.921 17.760 ( -1.120 -5.319 -1.551) 5.653 17.760 ( 1.120 -5.319 -1.551) 5.653 22.248 ( -5.799 -17.308 9.496) 20.576 22.248 ( 5.799 -17.308 9.496) 20.576 23.726 ( -10.737 0.363 -5.552) 12.093 23.726 ( 10.737 0.363 -5.552) 12.093 25.734 ( -0.528 9.284 -0.680) 9.323 25.734 ( 0.528 9.284 -0.680) 9.323 26.072 ( -1.048 14.586 3.087) 14.946 26.072 ( 1.048 14.586 3.087) 14.946 26.274 ( -1.390 11.099 0.119) 11.186 26.274 ( 1.390 11.099 0.119) 11.186 28.266 ( -2.952 -24.672 -6.227) 25.617 28.266 ( 2.952 -24.672 -6.227) 25.617 31.808 ( -0.051 -1.129 -2.414) 2.666 31.808 ( 0.051 -1.129 -2.414) 2.666 32.001 ( -0.249 -3.090 4.539) 5.497 32.001 ( 0.249 -3.090 4.539) 5.497 51.670 ( -5.720 -5.344 9.045) 11.962 51.670 ( 5.720 -5.344 9.045) 11.962 52.920 ( -10.897 -19.314 -3.806) 22.500 52.920 ( 10.897 -19.314 -3.806) 22.500 ======================= Grid point 126 (45/96) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 25.177 26.235) 36.362 2.308 ( 0.000 36.248 6.074) 36.754 3.021 ( 0.000 21.388 9.106) 23.246 3.186 ( 0.000 8.543 -11.009) 13.935 3.378 ( 0.000 7.161 -9.862) 12.188 3.546 ( 0.000 12.833 -5.028) 13.783 4.093 ( 0.000 30.389 2.251) 30.472 4.097 ( 0.000 54.742 7.948) 55.316 4.351 ( 0.000 15.625 3.130) 15.935 4.427 ( 0.000 10.433 -1.665) 10.565 4.844 ( 0.000 3.802 -13.768) 14.284 4.918 ( 0.000 9.211 1.802) 9.385 4.962 ( 0.000 3.994 15.907) 16.401 5.044 ( 0.000 15.888 -6.397) 17.127 5.278 ( 0.000 4.056 -1.485) 4.319 5.776 ( 0.000 17.643 2.203) 17.780 5.879 ( 0.000 11.079 -3.303) 11.561 5.954 ( 0.000 2.478 -2.176) 3.298 6.030 ( 0.000 22.696 6.470) 23.600 6.348 ( 0.000 13.493 -10.516) 17.107 6.544 ( 0.000 3.594 5.809) 6.831 6.946 ( 0.000 7.356 8.751) 11.432 7.012 ( 0.000 9.088 -2.153) 9.339 7.364 ( 0.000 -5.399 -6.515) 8.462 7.643 ( 0.000 -1.817 -1.772) 2.539 7.733 ( 0.000 8.182 -2.679) 8.610 7.848 ( 0.000 -1.563 10.489) 10.605 7.988 ( 0.000 8.638 3.371) 9.272 8.084 ( 0.000 1.499 -1.458) 2.091 8.257 ( 0.000 16.360 1.228) 16.406 8.309 ( 0.000 12.402 1.111) 12.452 8.634 ( 0.000 2.529 5.292) 5.865 8.762 ( 0.000 -10.091 -9.355) 13.760 8.883 ( 0.000 -2.507 1.214) 2.786 8.969 ( 0.000 -6.036 1.244) 6.163 9.044 ( 0.000 -10.166 3.086) 10.624 9.899 ( 0.000 5.515 -0.120) 5.516 9.998 ( 0.000 11.628 -2.175) 11.830 10.210 ( 0.000 1.112 -0.602) 1.264 10.327 ( 0.000 15.112 -6.246) 16.352 10.441 ( 0.000 -7.595 1.858) 7.820 10.654 ( 0.000 -14.329 -4.717) 15.086 10.988 ( 0.000 -8.172 7.652) 11.195 11.553 ( 0.000 -3.591 -8.530) 9.255 17.348 ( 0.000 2.121 -0.528) 2.186 17.362 ( 0.000 2.423 -0.915) 2.590 17.400 ( 0.000 2.405 0.572) 2.472 17.418 ( 0.000 2.268 -0.054) 2.268 17.458 ( 0.000 1.195 0.209) 1.213 17.484 ( 0.000 1.460 -0.459) 1.530 17.638 ( 0.000 -0.184 -1.175) 1.189 17.647 ( 0.000 -6.061 -0.690) 6.100 21.838 ( 0.000 -10.920 9.557) 14.511 22.078 ( 0.000 -17.740 4.811) 18.381 23.320 ( 0.000 -11.228 0.360) 11.234 24.081 ( 0.000 -23.574 -17.372) 29.283 25.826 ( 0.000 -0.763 -0.442) 0.882 25.870 ( 0.000 -0.402 -1.118) 1.188 26.346 ( 0.000 14.339 1.885) 14.462 26.422 ( 0.000 15.225 -1.561) 15.305 26.659 ( 0.000 17.647 5.927) 18.616 27.078 ( 0.000 15.687 -5.307) 16.560 27.135 ( 0.000 -13.985 7.057) 15.665 27.770 ( 0.000 -24.034 -7.485) 25.172 31.804 ( 0.000 -1.470 0.690) 1.624 31.851 ( 0.000 -1.651 0.881) 1.871 31.867 ( 0.000 -2.152 -0.623) 2.240 31.907 ( 0.000 -1.270 -0.897) 1.554 51.455 ( 0.000 -3.057 5.790) 6.548 51.837 ( 0.000 -13.744 19.884) 24.171 51.946 ( 0.000 -8.781 -5.031) 10.120 52.818 ( 0.000 -22.768 -6.695) 23.731 ======================= Grid point 127 (46/96) ======================= q-point: ( 0.17 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.724 24.547 24.195) 34.938 2.276 ( -2.204 33.537 6.452) 34.223 3.034 ( -2.792 13.992 0.813) 14.291 3.078 ( -4.450 12.627 0.664) 13.405 3.425 ( 1.695 14.353 -14.483) 20.460 3.611 ( 6.180 13.738 -7.672) 16.905 3.937 ( -13.444 21.183 4.427) 25.477 4.238 ( 7.637 46.492 8.308) 47.842 4.379 ( 5.873 15.321 0.868) 16.431 4.409 ( 3.187 22.332 -0.682) 22.568 4.764 ( -9.458 5.848 8.474) 13.981 4.847 ( -0.777 7.422 -8.291) 11.155 5.098 ( 7.247 9.881 -2.537) 12.513 5.166 ( 11.872 10.182 2.861) 15.900 5.298 ( -0.320 4.936 2.782) 5.675 5.761 ( -5.868 13.513 -2.835) 15.002 5.833 ( -0.496 18.271 0.685) 18.291 5.912 ( -4.316 5.904 -1.636) 7.494 6.011 ( 0.751 13.230 5.567) 14.374 6.389 ( -3.531 5.152 1.264) 6.372 6.494 ( 1.054 20.799 -6.785) 21.903 6.923 ( -2.450 11.525 5.897) 13.176 7.038 ( 2.222 4.484 -3.714) 6.232 7.324 ( -4.038 -6.674 -7.359) 10.724 7.610 ( -1.578 -1.224 1.094) 2.277 7.787 ( 3.741 8.018 -2.322) 9.147 7.810 ( -3.746 -3.745 9.365) 10.759 7.964 ( -1.897 9.476 2.106) 9.891 8.157 ( 6.705 1.253 0.232) 6.825 8.272 ( 1.669 14.922 1.572) 15.097 8.304 ( 0.045 13.796 1.253) 13.853 8.657 ( 0.200 -2.104 3.472) 4.065 8.780 ( 2.645 -7.864 -5.971) 10.223 8.903 ( 1.112 -3.003 0.644) 3.266 8.958 ( 0.153 -6.850 0.892) 6.909 9.056 ( 0.907 -9.338 2.058) 9.605 9.926 ( 2.716 5.339 -0.671) 6.028 10.030 ( 3.286 9.243 -2.226) 10.060 10.197 ( -1.241 3.585 -0.325) 3.808 10.325 ( -0.528 11.393 -6.382) 13.070 10.444 ( 0.821 -3.343 1.483) 3.748 10.668 ( 1.221 -12.030 -5.250) 13.182 10.954 ( -3.115 -9.899 8.001) 13.104 11.469 ( -8.701 -4.437 -7.638) 12.399 17.351 ( 0.276 2.069 -0.450) 2.135 17.364 ( 0.220 2.444 -0.771) 2.572 17.396 ( -0.382 2.295 0.433) 2.367 17.418 ( -0.109 2.410 -0.195) 2.420 17.450 ( -0.961 1.394 0.103) 1.697 17.464 ( -1.468 1.809 -0.035) 2.330 17.651 ( 0.674 -4.372 -0.841) 4.503 17.653 ( 1.001 -2.338 -1.038) 2.747 21.848 ( 1.143 -11.062 8.975) 14.290 22.057 ( -2.157 -17.114 4.885) 17.928 23.352 ( 3.461 -11.149 -0.347) 11.679 23.995 ( -8.740 -20.718 -15.150) 27.113 25.821 ( -0.453 -0.309 -0.345) 0.648 25.862 ( -0.835 -0.137 -1.038) 1.339 26.351 ( 0.543 15.179 1.883) 15.305 26.433 ( 1.170 14.773 -1.349) 14.881 26.629 ( -3.400 18.318 5.302) 19.370 26.786 ( -13.897 12.202 2.432) 18.653 27.445 ( 15.927 -13.300 -1.462) 20.802 27.779 ( 0.818 -24.342 -6.636) 25.244 31.800 ( -0.448 -1.344 -0.089) 1.420 31.821 ( -1.688 -1.232 -1.070) 2.348 31.901 ( 2.005 -2.553 1.577) 3.609 31.916 ( 0.870 -1.637 0.253) 1.871 51.463 ( 1.004 -3.387 6.145) 7.088 51.740 ( -6.028 -9.699 11.093) 15.920 52.100 ( 11.718 -13.851 1.234) 18.185 52.784 ( -3.677 -22.386 -6.459) 23.588 ======================= Grid point 128 (47/96) ======================= q-point: ( 0.33 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 8.234 23.124 18.555) 30.770 2.264 ( 0.541 24.460 8.507) 25.902 2.896 ( -5.826 13.872 -2.233) 15.211 3.056 ( -5.120 10.620 0.669) 11.808 3.429 ( 1.482 21.696 -7.683) 23.064 3.703 ( -10.676 15.805 1.747) 19.152 3.751 ( 9.327 19.883 -9.771) 24.038 4.183 ( -10.496 26.498 -2.948) 28.653 4.489 ( 7.821 16.963 2.596) 18.859 4.657 ( 7.216 13.252 7.236) 16.735 4.762 ( 15.338 20.138 2.989) 25.490 4.823 ( 0.516 14.109 -1.909) 14.247 5.177 ( -1.557 6.197 3.737) 7.403 5.222 ( -1.772 8.960 5.797) 10.818 5.336 ( 0.802 12.769 3.424) 13.244 5.623 ( -5.772 6.161 -1.546) 8.583 5.812 ( -4.872 19.085 0.368) 19.700 5.876 ( 1.354 24.802 -1.138) 24.865 6.045 ( 2.620 7.922 4.436) 9.450 6.221 ( -9.314 4.367 6.031) 11.924 6.607 ( 7.841 24.383 -12.334) 28.428 6.858 ( -4.633 18.958 -0.133) 19.516 7.077 ( 2.093 -1.930 -7.349) 7.881 7.228 ( -6.033 -8.946 -9.243) 14.208 7.615 ( 2.126 -3.296 5.648) 6.876 7.737 ( -3.769 -6.064 7.553) 10.394 7.845 ( 2.622 9.789 -1.244) 10.210 7.928 ( -2.076 10.184 0.389) 10.401 8.250 ( 2.533 13.444 0.472) 13.689 8.288 ( -0.180 16.487 1.498) 16.555 8.382 ( 8.217 -1.329 2.814) 8.787 8.616 ( -3.927 -5.173 2.141) 6.839 8.832 ( 1.824 -8.351 -1.935) 8.764 8.894 ( -1.417 -6.297 0.828) 6.507 9.005 ( 3.876 -5.325 -0.500) 6.605 9.072 ( 0.620 -7.704 0.685) 7.759 9.990 ( 4.004 4.266 -1.553) 6.053 10.091 ( 1.611 0.403 -2.481) 2.986 10.181 ( 0.725 12.585 -0.655) 12.623 10.298 ( -2.483 4.396 -4.726) 6.915 10.487 ( 4.005 4.184 -0.119) 5.793 10.669 ( -2.334 -1.041 -4.182) 4.901 10.923 ( 1.682 -16.837 5.676) 17.848 11.262 ( -12.774 -7.756 -5.225) 15.832 17.357 ( 0.400 2.083 -0.224) 2.133 17.369 ( 0.159 2.484 -0.302) 2.508 17.389 ( -0.211 2.094 -0.019) 2.105 17.409 ( -0.919 2.492 -0.551) 2.712 17.431 ( -0.472 2.017 0.412) 2.112 17.445 ( -0.817 1.818 0.082) 1.995 17.662 ( 0.636 -4.783 -0.672) 4.872 17.669 ( 0.527 -2.375 -1.077) 2.660 21.881 ( 2.480 -11.778 7.597) 14.233 22.004 ( -3.507 -15.428 5.258) 16.672 23.446 ( 6.788 -11.195 -2.408) 13.312 23.799 ( -11.517 -15.507 -10.347) 21.913 25.815 ( 0.010 0.452 -0.296) 0.541 25.843 ( -1.187 0.398 -0.804) 1.488 26.368 ( 1.460 16.918 2.081) 17.108 26.455 ( 0.199 15.036 -0.252) 15.040 26.538 ( -4.206 18.994 3.893) 19.840 26.622 ( -5.093 13.673 1.924) 14.717 27.670 ( 8.543 -20.985 -3.150) 22.875 27.791 ( 0.119 -24.779 -5.040) 25.286 31.791 ( -0.432 -1.063 -1.335) 1.760 31.797 ( -0.902 -0.890 -1.786) 2.190 31.931 ( 1.178 -2.864 2.834) 4.198 31.934 ( 0.845 -2.334 2.113) 3.260 51.495 ( 2.601 -4.374 6.730) 8.438 51.640 ( -4.975 -7.539 8.513) 12.412 52.324 ( 12.047 -17.502 -1.015) 21.271 52.685 ( -7.049 -21.363 -5.601) 23.183 ======================= Grid point 129 (48/96) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -5.291 20.076 12.519) 24.244 2.232 ( 5.291 20.076 12.519) 24.244 2.906 ( -7.106 14.430 -1.197) 16.129 2.906 ( 7.106 14.430 -1.197) 16.129 3.530 ( -8.321 18.311 -2.109) 20.224 3.530 ( 8.321 18.311 -2.109) 20.224 3.956 ( -12.658 23.609 -7.305) 27.767 3.956 ( 12.658 23.609 -7.305) 27.767 4.633 ( -7.028 12.704 1.040) 14.555 4.633 ( 7.028 12.704 1.040) 14.555 4.920 ( -9.717 7.363 3.159) 12.594 4.920 ( 9.717 7.363 3.159) 12.594 5.175 ( -10.817 17.807 6.615) 21.860 5.175 ( 10.817 17.807 6.615) 21.860 5.415 ( -13.612 12.677 4.811) 19.213 5.415 ( 13.612 12.677 4.811) 19.213 5.840 ( -4.492 23.800 -1.402) 24.261 5.840 ( 4.492 23.800 -1.402) 24.261 6.105 ( -4.080 5.273 4.160) 7.859 6.105 ( 4.080 5.273 4.160) 7.859 6.750 ( -7.198 22.698 -7.097) 24.847 6.750 ( 7.198 22.698 -7.097) 24.847 7.129 ( -4.097 -7.315 -9.637) 12.774 7.129 ( 4.097 -7.315 -9.637) 12.774 7.671 ( -3.490 -5.800 6.959) 9.708 7.671 ( 3.490 -5.800 6.959) 9.708 7.888 ( -2.202 10.495 -0.554) 10.738 7.888 ( 2.202 10.495 -0.554) 10.738 8.278 ( -0.888 17.048 0.942) 17.097 8.278 ( 0.888 17.048 0.942) 17.097 8.523 ( -6.371 -6.002 2.686) 9.156 8.523 ( 6.371 -6.002 2.686) 9.156 8.860 ( -1.838 -8.039 0.029) 8.247 8.860 ( 1.838 -8.039 0.029) 8.247 9.064 ( -1.882 -6.094 -0.344) 6.388 9.064 ( 1.882 -6.094 -0.344) 6.388 10.062 ( -3.479 1.870 -1.995) 4.425 10.062 ( 3.479 1.870 -1.995) 4.425 10.237 ( -3.909 7.882 -2.768) 9.223 10.237 ( 3.909 7.882 -2.768) 9.223 10.583 ( -5.883 4.649 -0.848) 7.546 10.583 ( 5.883 4.649 -0.848) 7.546 11.040 ( -10.321 -14.209 -1.085) 17.595 11.040 ( 10.321 -14.209 -1.085) 17.595 17.365 ( -0.433 2.318 0.014) 2.358 17.365 ( 0.433 2.318 0.014) 2.358 17.393 ( -0.640 2.160 -0.398) 2.287 17.393 ( 0.640 2.160 -0.398) 2.287 17.433 ( -0.479 2.095 0.136) 2.153 17.433 ( 0.479 2.095 0.136) 2.153 17.671 ( -0.273 -3.637 -0.827) 3.740 17.671 ( 0.273 -3.637 -0.827) 3.740 21.937 ( -3.528 -13.359 6.179) 15.136 21.937 ( 3.528 -13.359 6.179) 15.136 23.599 ( -9.823 -12.237 -5.766) 16.718 23.599 ( 9.823 -12.237 -5.766) 16.718 25.823 ( -0.823 0.712 -0.496) 1.197 25.823 ( 0.823 0.712 -0.496) 1.197 26.409 ( -3.116 18.205 2.419) 18.627 26.409 ( 3.116 18.205 2.419) 18.627 26.548 ( -3.208 14.478 1.059) 14.866 26.548 ( 3.208 14.478 1.059) 14.866 27.770 ( -2.823 -24.181 -3.915) 24.658 27.770 ( 2.823 -24.181 -3.915) 24.658 31.788 ( -0.172 -0.860 -1.890) 2.084 31.788 ( 0.172 -0.860 -1.890) 2.084 31.942 ( -0.044 -2.799 3.073) 4.157 31.942 ( 0.044 -2.799 3.073) 4.157 51.557 ( -4.027 -5.829 7.374) 10.226 51.557 ( 4.027 -5.829 7.374) 10.226 52.528 ( -9.983 -19.825 -3.803) 22.520 52.528 ( 9.983 -19.825 -3.803) 22.520 ======================= Grid point 133 (49/96) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.000 26.801 15.918) 31.172 3.001 ( 0.000 32.699 -0.663) 32.705 3.365 ( 0.000 9.291 -1.253) 9.376 3.397 ( 0.000 15.014 3.463) 15.409 3.541 ( 0.000 12.802 2.226) 12.994 3.818 ( 0.000 14.857 -4.353) 15.482 4.455 ( 0.000 8.839 -8.121) 12.003 4.579 ( 0.000 5.405 -0.630) 5.441 4.676 ( 0.000 12.506 2.029) 12.669 4.738 ( 0.000 7.937 -10.256) 12.968 5.018 ( 0.000 1.969 -2.292) 3.021 5.023 ( 0.000 5.867 14.619) 15.752 5.220 ( 0.000 14.014 -0.396) 14.020 5.378 ( 0.000 15.656 5.796) 16.694 5.398 ( 0.000 24.250 1.527) 24.298 5.948 ( 0.000 -2.295 -0.436) 2.336 6.068 ( 0.000 11.245 -0.917) 11.283 6.084 ( 0.000 9.916 -5.347) 11.266 6.308 ( 0.000 7.372 10.177) 12.567 6.363 ( 0.000 -4.294 4.928) 6.536 6.752 ( 0.000 15.019 1.381) 15.082 7.165 ( 0.000 -2.839 -9.695) 10.102 7.347 ( 0.000 22.523 0.670) 22.532 7.412 ( 0.000 15.129 -2.519) 15.337 7.600 ( 0.000 1.010 2.094) 2.325 7.826 ( 0.000 5.430 -6.266) 8.291 7.869 ( 0.000 4.201 8.101) 9.125 8.122 ( 0.000 1.550 1.001) 1.845 8.123 ( 0.000 3.219 0.953) 3.357 8.445 ( 0.000 -2.233 -4.977) 5.455 8.445 ( 0.000 -0.146 4.232) 4.234 8.653 ( 0.000 3.864 -1.760) 4.246 8.797 ( 0.000 10.378 1.845) 10.541 8.822 ( 0.000 -7.600 3.351) 8.306 8.872 ( 0.000 0.336 -1.009) 1.064 8.965 ( 0.000 8.711 -0.050) 8.711 9.971 ( 0.000 1.874 -0.700) 2.000 10.000 ( 0.000 -5.465 -1.331) 5.625 10.305 ( 0.000 -6.005 0.586) 6.034 10.366 ( 0.000 -13.545 -0.723) 13.564 10.440 ( 0.000 16.490 0.415) 16.495 10.611 ( 0.000 11.230 -5.974) 12.720 10.878 ( 0.000 -2.406 6.546) 6.975 11.453 ( 0.000 -7.026 -8.403) 10.953 17.391 ( 0.000 2.140 -0.379) 2.173 17.408 ( 0.000 2.035 -1.152) 2.339 17.451 ( 0.000 2.723 0.643) 2.798 17.458 ( 0.000 1.624 0.136) 1.629 17.483 ( 0.000 1.332 0.303) 1.366 17.510 ( 0.000 0.933 -0.545) 1.080 17.552 ( 0.000 -3.203 0.822) 3.307 17.636 ( 0.000 -0.022 -1.634) 1.635 21.690 ( 0.000 -3.953 4.762) 6.189 21.813 ( 0.000 -8.761 2.916) 9.233 23.049 ( 0.000 -15.786 0.344) 15.790 23.589 ( 0.000 -25.963 -11.613) 28.441 25.813 ( 0.000 -0.271 -0.105) 0.291 25.837 ( 0.000 -1.974 -0.603) 2.064 26.578 ( 0.000 7.471 1.783) 7.681 26.666 ( 0.000 0.491 -1.294) 1.384 26.819 ( 0.000 1.814 5.574) 5.862 27.062 ( 0.000 11.455 4.610) 12.347 27.292 ( 0.000 -8.529 -6.047) 10.456 27.367 ( 0.000 -0.262 -2.284) 2.299 31.780 ( 0.000 -0.950 0.554) 1.100 31.829 ( 0.000 -0.605 0.654) 0.891 31.830 ( 0.000 -1.609 -0.478) 1.679 31.885 ( 0.000 -1.023 -0.859) 1.336 51.398 ( 0.000 -2.548 4.094) 4.822 51.611 ( 0.000 -9.376 12.541) 15.659 51.771 ( 0.000 -8.721 -3.958) 9.578 52.376 ( 0.000 -21.594 -6.249) 22.480 ======================= Grid point 134 (50/96) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 3.373 25.442 16.022) 30.255 2.923 ( -7.180 29.860 2.424) 30.806 3.285 ( -5.116 14.426 -0.303) 15.309 3.372 ( -2.956 15.237 4.357) 16.121 3.647 ( 7.723 8.090 -2.522) 11.465 3.887 ( 6.205 17.187 -6.367) 19.350 4.205 ( -15.940 7.105 0.850) 17.473 4.576 ( 2.093 9.328 -1.566) 9.687 4.744 ( -2.596 6.840 -10.847) 13.083 4.841 ( 4.887 11.858 -6.502) 14.380 4.916 ( -0.354 8.797 9.697) 13.097 5.205 ( 5.697 10.466 -0.282) 11.919 5.228 ( 5.833 1.960 2.318) 6.575 5.358 ( 3.042 15.769 5.926) 17.118 5.496 ( 6.579 22.542 4.620) 23.933 5.840 ( -13.288 -1.839 -1.130) 13.462 6.037 ( 0.224 9.223 -0.128) 9.227 6.148 ( 7.302 10.641 -0.340) 12.910 6.231 ( -1.624 9.535 7.911) 12.496 6.468 ( 2.005 2.880 4.584) 5.773 6.797 ( 5.290 11.439 -2.509) 12.851 7.139 ( -2.969 -3.944 -8.838) 10.123 7.315 ( -3.140 18.018 -0.529) 18.297 7.366 ( -4.915 18.685 -1.874) 19.412 7.569 ( -1.979 0.449 2.838) 3.489 7.791 ( -5.382 4.249 3.959) 7.918 7.896 ( 4.233 5.340 -2.008) 7.104 8.111 ( -1.201 3.669 0.108) 3.862 8.171 ( 4.971 0.299 1.836) 5.307 8.447 ( 0.241 -0.988 2.629) 2.819 8.463 ( 1.539 -0.833 -2.959) 3.437 8.664 ( 0.212 2.336 -1.750) 2.927 8.769 ( -2.079 8.304 2.724) 8.983 8.813 ( -0.959 -4.494 2.623) 5.291 8.898 ( 2.636 0.079 -0.692) 2.726 8.986 ( 1.934 8.387 -0.688) 8.635 9.991 ( 1.883 1.519 -1.126) 2.669 10.010 ( 1.009 -5.064 -1.207) 5.303 10.303 ( -0.193 -5.311 0.039) 5.314 10.371 ( 0.195 -9.595 -1.863) 9.776 10.456 ( 1.918 12.210 1.317) 12.430 10.630 ( 2.422 8.828 -5.157) 10.507 10.846 ( -3.329 -0.487 6.114) 6.978 11.377 ( -7.955 -5.742 -7.878) 12.582 17.393 ( 0.195 2.069 -0.290) 2.098 17.410 ( 0.274 2.044 -0.959) 2.275 17.444 ( -0.602 2.529 0.485) 2.644 17.461 ( 0.154 1.891 0.023) 1.898 17.478 ( -0.614 1.410 0.243) 1.557 17.498 ( -1.077 1.417 -0.424) 1.830 17.563 ( 1.083 -3.146 0.722) 3.405 17.639 ( 0.110 -0.476 -1.438) 1.519 21.696 ( 0.689 -4.144 4.571) 6.208 21.803 ( -1.052 -8.334 2.976) 8.911 23.078 ( 3.148 -16.075 -0.271) 16.382 23.542 ( -4.915 -24.587 -10.490) 27.180 25.811 ( -0.144 -0.266 -0.111) 0.322 25.833 ( -0.390 -1.796 -0.556) 1.920 26.591 ( 1.343 6.955 1.468) 7.234 26.667 ( 0.088 0.699 -1.148) 1.347 26.810 ( -0.800 3.775 5.129) 6.418 27.001 ( -5.379 14.464 3.985) 15.938 27.323 ( 2.302 -14.473 -4.864) 15.441 27.382 ( 1.401 0.466 -2.481) 2.887 31.778 ( -0.165 -0.802 0.092) 0.824 31.804 ( -1.224 -0.556 -0.863) 1.597 31.858 ( 1.485 -1.716 1.172) 2.554 31.888 ( 0.302 -1.254 -0.208) 1.307 51.401 ( 0.374 -2.772 4.397) 5.212 51.565 ( -3.552 -7.771 8.823) 12.282 51.855 ( 7.389 -11.258 -1.475) 13.547 52.350 ( -2.797 -21.159 -5.931) 22.152 ======================= Grid point 135 (51/96) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 5.727 22.607 16.018) 28.293 2.785 ( -7.232 25.546 9.129) 28.075 3.215 ( -2.244 18.701 -0.502) 18.841 3.296 ( -5.072 13.655 2.246) 14.739 3.758 ( 3.892 9.132 -3.900) 10.665 3.898 ( -6.188 12.250 -1.906) 13.856 4.122 ( 8.421 14.931 -6.097) 18.195 4.549 ( -9.604 13.039 -8.330) 18.211 4.695 ( 4.170 5.651 -2.115) 7.335 4.874 ( -1.215 6.322 -6.466) 9.125 4.989 ( 6.587 12.663 6.065) 15.509 5.212 ( -0.756 7.718 3.130) 8.363 5.305 ( 1.546 4.121 3.243) 5.467 5.522 ( 0.128 12.120 8.731) 14.938 5.585 ( -3.805 -4.357 -3.648) 6.839 5.616 ( 5.768 23.177 4.862) 24.374 6.071 ( 3.028 11.235 1.968) 11.801 6.238 ( 2.996 7.336 8.128) 11.351 6.313 ( 6.314 17.941 -1.975) 19.122 6.438 ( -1.572 14.873 4.624) 15.654 6.885 ( 1.958 3.606 -9.587) 10.428 7.058 ( -5.640 -7.805 -7.537) 12.228 7.233 ( -4.414 15.775 -0.661) 16.394 7.282 ( -2.953 16.518 -1.601) 16.857 7.556 ( 0.745 2.059 4.241) 4.773 7.681 ( -5.739 4.359 5.141) 8.853 7.976 ( 3.944 4.709 -2.810) 6.755 8.082 ( -1.996 3.952 -1.265) 4.604 8.285 ( 6.735 -2.370 2.734) 7.646 8.443 ( -1.014 -3.199 2.120) 3.969 8.497 ( 2.183 1.485 -1.688) 3.134 8.627 ( -3.957 3.650 0.405) 5.399 8.752 ( 0.231 3.645 2.252) 4.291 8.791 ( -1.355 0.193 1.891) 2.334 8.960 ( 3.717 0.622 -1.272) 3.978 9.019 ( 1.125 6.334 -1.436) 6.592 10.026 ( 1.588 -0.164 -1.430) 2.143 10.032 ( 1.175 -3.576 -0.913) 3.873 10.303 ( 0.420 -2.973 -1.905) 3.556 10.359 ( -1.552 -3.533 -4.013) 5.568 10.516 ( 4.645 5.874 3.363) 8.209 10.697 ( 1.699 -4.225 1.613) 4.831 10.787 ( 0.570 9.691 -0.118) 9.708 11.181 ( -12.686 -2.320 -6.628) 14.499 17.400 ( 0.561 2.090 -0.088) 2.166 17.417 ( 0.481 2.131 -0.564) 2.256 17.431 ( -0.752 2.300 0.240) 2.431 17.452 ( -1.234 1.840 -0.286) 2.234 17.469 ( 0.092 1.877 0.197) 1.890 17.482 ( -0.556 1.845 -0.194) 1.936 17.588 ( 1.570 -2.715 0.323) 3.153 17.635 ( -0.626 -1.295 -0.942) 1.719 21.715 ( 1.341 -4.776 4.099) 6.435 21.777 ( -1.708 -7.225 3.181) 8.077 23.161 ( 5.780 -17.022 -2.022) 18.090 23.424 ( -7.442 -21.605 -7.771) 24.136 25.810 ( 0.070 -0.389 -0.164) 0.428 25.824 ( -0.581 -1.333 -0.436) 1.518 26.623 ( 2.001 4.928 0.483) 5.340 26.668 ( -0.151 1.350 -0.933) 1.648 26.800 ( 0.020 8.631 4.634) 9.796 26.900 ( -5.142 16.565 4.137) 17.832 27.361 ( 1.873 -15.749 -3.692) 16.284 27.401 ( 0.331 -4.907 -3.015) 5.769 31.775 ( -0.099 -0.474 -0.795) 0.931 31.786 ( -0.746 -0.272 -1.361) 1.576 31.881 ( 0.997 -2.102 1.909) 3.009 31.893 ( 0.233 -1.747 1.060) 2.057 51.416 ( 1.344 -3.527 4.949) 6.224 51.502 ( -3.173 -6.153 6.568) 9.543 52.006 ( 8.548 -14.746 -1.878) 17.147 52.274 ( -5.385 -19.867 -4.989) 21.180 ======================= Grid point 136 (52/96) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -6.644 22.071 14.501) 27.231 2.659 ( 6.644 22.071 14.501) 27.231 3.216 ( -2.597 17.228 -0.152) 17.424 3.216 ( 2.597 17.228 -0.152) 17.424 3.812 ( -3.116 10.797 -1.483) 11.335 3.812 ( 3.116 10.797 -1.483) 11.335 4.330 ( -12.646 15.665 -10.806) 22.849 4.330 ( 12.646 15.665 -10.806) 22.849 4.804 ( -5.805 4.934 -3.769) 8.500 4.804 ( 5.805 4.934 -3.769) 8.500 5.136 ( -7.972 11.463 5.783) 15.113 5.136 ( 7.972 11.463 5.783) 15.113 5.358 ( -5.613 1.131 5.571) 7.989 5.358 ( 5.613 1.131 5.571) 7.989 5.667 ( -1.259 12.107 1.388) 12.251 5.667 ( 1.259 12.107 1.388) 12.251 6.172 ( -7.635 13.372 4.193) 15.959 6.172 ( 7.635 13.372 4.193) 15.959 6.423 ( -4.802 20.673 2.791) 21.406 6.423 ( 4.802 20.673 2.791) 21.406 6.930 ( -6.069 -5.058 -10.218) 12.916 6.930 ( 6.069 -5.058 -10.218) 12.916 7.232 ( -2.599 13.273 -1.079) 13.568 7.232 ( 2.599 13.273 -1.079) 13.568 7.595 ( -3.474 3.607 4.984) 7.065 7.595 ( 3.474 3.607 4.984) 7.065 8.038 ( -2.847 4.158 -2.207) 5.501 8.038 ( 2.847 4.158 -2.207) 5.501 8.394 ( -4.571 -4.601 2.345) 6.896 8.394 ( 4.571 -4.601 2.345) 6.896 8.550 ( -3.786 3.804 0.284) 5.374 8.550 ( 3.786 3.804 0.284) 5.374 8.766 ( -1.218 2.324 1.831) 3.199 8.766 ( 1.218 2.324 1.831) 3.199 9.015 ( -1.739 3.107 -1.731) 3.959 9.015 ( 1.739 3.107 -1.731) 3.959 10.043 ( -0.158 -2.051 -0.970) 2.274 10.043 ( 0.158 -2.051 -0.970) 2.274 10.324 ( -1.837 -1.478 -4.044) 4.681 10.324 ( 1.837 -1.478 -4.044) 4.681 10.620 ( -6.182 0.476 5.376) 8.207 10.620 ( 6.182 0.476 5.376) 8.207 10.943 ( -12.341 3.036 -5.424) 13.818 10.943 ( 12.341 3.036 -5.424) 13.818 17.413 ( -0.871 2.410 0.067) 2.563 17.413 ( 0.871 2.410 0.067) 2.563 17.432 ( -0.864 1.732 -0.282) 1.956 17.432 ( 0.864 1.732 -0.282) 1.956 17.474 ( -0.359 2.043 -0.070) 2.076 17.474 ( 0.359 2.043 -0.070) 2.076 17.616 ( -1.356 -2.069 -0.294) 2.491 17.616 ( 1.356 -2.069 -0.294) 2.491 21.744 ( -1.769 -5.880 3.572) 7.104 21.744 ( 1.769 -5.880 3.572) 7.104 23.284 ( -7.429 -18.838 -4.666) 20.780 23.284 ( 7.429 -18.838 -4.666) 20.780 25.814 ( -0.432 -0.783 -0.287) 0.939 25.814 ( 0.432 -0.783 -0.287) 0.939 26.655 ( -1.291 2.242 -0.616) 2.659 26.655 ( 1.291 2.242 -0.616) 2.659 26.824 ( -2.837 14.470 4.587) 15.443 26.824 ( 2.837 14.470 4.587) 15.443 27.391 ( -1.284 -11.561 -3.278) 12.085 27.391 ( 1.284 -11.561 -3.278) 12.085 31.776 ( -0.270 -0.252 -1.348) 1.397 31.776 ( 0.270 -0.252 -1.348) 1.397 31.893 ( -0.299 -2.110 1.903) 2.857 31.893 ( 0.299 -2.110 1.903) 2.857 51.450 ( -2.411 -4.733 5.554) 7.685 51.450 ( 2.411 -4.733 5.554) 7.685 52.155 ( -7.494 -17.723 -3.505) 19.558 52.155 ( 7.494 -17.723 -3.505) 19.558 ======================= Grid point 140 (53/96) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.000 24.463 7.583) 25.611 3.481 ( 0.000 12.108 -4.305) 12.851 3.543 ( 0.000 8.732 6.833) 11.088 3.641 ( 0.000 14.757 -0.295) 14.760 3.946 ( 0.000 26.020 8.160) 27.269 4.113 ( 0.000 14.093 -4.730) 14.866 4.536 ( 0.000 -0.546 -7.875) 7.894 4.635 ( 0.000 1.004 0.554) 1.147 4.796 ( 0.000 1.827 5.085) 5.403 4.847 ( 0.000 5.347 -6.128) 8.133 5.050 ( 0.000 2.612 -9.205) 9.568 5.107 ( 0.000 2.935 7.905) 8.432 5.268 ( 0.000 0.993 -2.334) 2.536 5.516 ( 0.000 -1.920 10.483) 10.657 5.801 ( 0.000 0.963 -0.290) 1.006 5.837 ( 0.000 -10.171 -0.888) 10.210 6.254 ( 0.000 8.197 -0.386) 8.206 6.280 ( 0.000 8.019 2.141) 8.299 6.403 ( 0.000 7.259 3.382) 8.009 6.488 ( 0.000 14.955 7.823) 16.877 7.068 ( 0.000 -2.377 -5.986) 6.441 7.081 ( 0.000 17.285 -1.991) 17.399 7.511 ( 0.000 -2.345 2.337) 3.311 7.651 ( 0.000 10.858 1.868) 11.018 7.758 ( 0.000 9.782 -2.957) 10.219 7.950 ( 0.000 0.068 2.932) 2.932 8.072 ( 0.000 7.556 -5.137) 9.137 8.146 ( 0.000 6.573 -4.034) 7.712 8.187 ( 0.000 7.138 2.369) 7.521 8.362 ( 0.000 -5.687 5.130) 7.659 8.371 ( 0.000 -0.161 -2.627) 2.632 8.545 ( 0.000 -11.130 2.417) 11.390 8.863 ( 0.000 8.811 4.661) 9.967 8.932 ( 0.000 4.839 1.208) 4.987 9.138 ( 0.000 19.697 -2.669) 19.877 9.213 ( 0.000 14.270 -2.331) 14.459 9.896 ( 0.000 -4.431 -0.061) 4.432 9.971 ( 0.000 -2.198 -2.906) 3.643 10.152 ( 0.000 -7.240 3.235) 7.930 10.204 ( 0.000 -4.266 0.414) 4.286 10.652 ( 0.000 -4.912 -0.079) 4.913 10.746 ( 0.000 13.598 -2.103) 13.760 10.968 ( 0.000 8.884 -0.003) 8.884 11.268 ( 0.000 -11.556 -6.230) 13.128 17.429 ( 0.000 1.571 -0.223) 1.587 17.436 ( 0.000 0.690 -0.620) 0.928 17.480 ( 0.000 0.648 0.139) 0.663 17.489 ( 0.000 -0.115 -0.057) 0.128 17.509 ( 0.000 1.256 0.330) 1.299 17.513 ( 0.000 1.750 0.730) 1.896 17.544 ( 0.000 1.172 0.340) 1.220 17.636 ( 0.000 -0.056 -1.504) 1.505 21.684 ( 0.000 3.283 1.948) 3.818 21.739 ( 0.000 1.318 1.431) 1.945 22.716 ( 0.000 -17.605 0.228) 17.606 23.072 ( 0.000 -26.106 -7.392) 27.132 25.816 ( 0.000 0.277 -0.017) 0.277 25.824 ( 0.000 1.616 -0.216) 1.630 26.445 ( 0.000 -13.836 1.608) 13.929 26.538 ( 0.000 -11.849 -0.247) 11.852 27.002 ( 0.000 9.578 0.129) 9.579 27.111 ( 0.000 -0.565 -2.157) 2.230 27.300 ( 0.000 10.797 4.062) 11.536 27.507 ( 0.000 5.936 -1.005) 6.021 31.767 ( 0.000 -0.306 0.450) 0.545 31.804 ( 0.000 -1.096 -0.275) 1.130 31.825 ( 0.000 0.157 0.424) 0.452 31.867 ( 0.000 -0.759 -0.624) 0.983 51.360 ( 0.000 -1.150 2.561) 2.808 51.469 ( 0.000 -4.923 7.638) 9.087 51.610 ( 0.000 -7.425 -2.729) 7.911 51.983 ( 0.000 -17.918 -4.633) 18.507 ======================= Grid point 141 (54/96) ======================= q-point: ( 0.17 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.862 23.326 8.506) 24.844 3.357 ( -8.398 14.596 6.148) 17.927 3.601 ( -1.409 14.891 0.794) 14.978 3.629 ( 1.403 7.715 -2.616) 8.267 3.896 ( -2.263 21.833 4.750) 22.458 4.234 ( 9.906 15.035 -2.562) 18.187 4.291 ( -13.740 4.268 -1.206) 14.438 4.723 ( 2.880 5.368 -4.767) 7.736 4.834 ( 0.675 4.274 -3.690) 5.686 4.995 ( -3.417 3.531 -8.086) 9.462 5.007 ( 12.579 0.033 -2.656) 12.856 5.163 ( 3.913 -0.978 6.200) 7.396 5.266 ( -0.074 0.056 -1.147) 1.151 5.508 ( 0.936 -1.460 9.400) 9.559 5.727 ( -6.229 -4.760 0.626) 7.864 5.902 ( 4.645 0.204 2.636) 5.345 6.223 ( -0.237 9.068 3.059) 9.573 6.289 ( -1.382 8.829 1.967) 9.150 6.433 ( 4.096 1.933 3.509) 5.729 6.569 ( 7.281 13.459 3.618) 15.724 7.039 ( -3.522 -2.042 -5.492) 6.836 7.072 ( -0.907 15.474 -2.901) 15.770 7.470 ( -4.299 -0.397 1.878) 4.708 7.640 ( -1.240 7.930 1.449) 8.156 7.695 ( -5.628 11.729 -1.694) 13.120 7.910 ( -4.030 1.979 2.580) 5.178 8.095 ( 1.927 7.822 -5.722) 9.881 8.158 ( 1.263 2.786 -3.459) 4.618 8.201 ( 1.373 7.467 2.178) 7.898 8.360 ( -0.249 -5.549 4.885) 7.397 8.391 ( 1.897 -0.575 -2.325) 3.055 8.544 ( -0.227 -9.985 2.469) 10.288 8.875 ( 1.252 9.090 4.633) 10.279 8.967 ( 3.623 5.686 0.668) 6.775 9.088 ( -3.839 17.011 -1.257) 17.484 9.238 ( 1.138 15.175 -2.820) 15.477 9.917 ( 2.157 -3.886 -0.154) 4.447 9.990 ( 1.831 -1.834 -2.917) 3.902 10.160 ( 0.686 -7.497 2.462) 7.920 10.212 ( 0.874 -4.300 0.064) 4.388 10.645 ( -0.586 -3.901 0.382) 3.963 10.734 ( -1.226 12.371 -1.601) 12.535 10.967 ( -0.145 8.701 -0.578) 8.721 11.225 ( -4.499 -9.725 -5.807) 12.188 17.428 ( 0.107 1.393 -0.112) 1.401 17.440 ( 0.337 0.957 -0.509) 1.135 17.486 ( 0.423 1.255 -0.077) 1.327 17.493 ( -0.019 1.263 -0.037) 1.264 17.501 ( -0.154 0.477 0.167) 0.528 17.511 ( -0.485 0.926 0.235) 1.072 17.543 ( 0.153 1.095 0.838) 1.388 17.631 ( -0.524 -0.311 -1.272) 1.410 21.687 ( 0.402 3.227 1.898) 3.765 21.736 ( -0.396 1.523 1.454) 2.143 22.738 ( 2.362 -18.013 -0.245) 18.169 23.045 ( -2.809 -25.294 -6.816) 26.347 25.815 ( -0.139 0.399 -0.051) 0.425 25.822 ( -0.242 1.504 -0.192) 1.536 26.452 ( 0.742 -13.869 1.411) 13.960 26.536 ( -0.309 -12.521 -0.274) 12.528 26.999 ( 0.154 9.679 0.795) 9.713 27.148 ( 3.534 0.523 -2.420) 4.314 27.265 ( -3.513 10.900 4.135) 12.176 27.487 ( -2.228 5.219 -1.309) 5.824 31.769 ( 0.125 -0.171 0.222) 0.307 31.797 ( -0.566 -0.282 -0.711) 0.952 31.834 ( 0.713 -0.711 0.913) 1.359 31.867 ( -0.076 -0.914 -0.304) 0.967 51.360 ( 0.020 -1.224 2.774) 3.032 51.445 ( -2.010 -4.159 5.949) 7.532 51.655 ( 4.202 -8.936 -1.699) 10.020 51.966 ( -1.886 -17.521 -4.380) 18.159 ======================= Grid point 142 (55/96) ======================= q-point: ( 0.33 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 3.031 20.891 10.876) 23.747 3.203 ( -8.272 16.773 11.892) 22.163 3.557 ( -1.599 14.617 0.594) 14.716 3.616 ( -2.906 14.304 -2.580) 14.822 3.909 ( 3.047 12.193 0.952) 12.604 4.089 ( -7.905 6.597 0.608) 10.314 4.437 ( 11.124 16.636 -7.586) 21.402 4.787 ( -4.529 8.986 -7.956) 12.828 4.791 ( 3.050 7.178 -5.305) 9.432 4.946 ( -2.553 2.218 -8.230) 8.898 5.167 ( 6.416 1.839 1.459) 6.832 5.213 ( 1.590 -2.483 4.617) 5.478 5.259 ( -0.844 -5.888 1.531) 6.142 5.521 ( -6.651 -1.798 1.927) 7.154 5.693 ( 8.277 3.285 9.380) 12.933 5.945 ( -1.145 4.871 1.826) 5.326 6.253 ( 3.001 5.425 4.863) 7.880 6.288 ( 2.087 2.128 5.927) 6.634 6.522 ( 5.719 0.649 1.980) 6.087 6.736 ( 10.602 11.313 -1.474) 15.574 6.915 ( -10.347 -0.244 -2.950) 10.762 7.040 ( -3.143 10.802 -4.412) 12.084 7.393 ( -2.629 2.930 0.730) 4.004 7.526 ( -8.653 8.730 -2.138) 12.477 7.675 ( 1.979 8.870 2.868) 9.530 7.820 ( -5.219 4.960 2.029) 7.480 8.127 ( 1.520 7.255 -5.662) 9.328 8.170 ( -0.353 4.258 -5.006) 6.581 8.245 ( 3.402 1.533 3.900) 5.398 8.347 ( -1.322 -4.717 4.871) 6.908 8.434 ( 2.793 -1.747 -1.830) 3.769 8.530 ( -1.516 -6.994 1.608) 7.335 8.909 ( 2.411 10.547 4.079) 11.562 9.017 ( -3.142 14.546 0.521) 14.891 9.059 ( 5.388 7.291 -0.250) 9.069 9.230 ( -2.143 12.884 -2.431) 13.286 9.966 ( 2.946 -2.423 -0.502) 3.847 10.023 ( 1.085 -0.392 -2.300) 2.573 10.177 ( 1.340 -8.180 0.396) 8.298 10.227 ( 0.198 -5.502 -0.787) 5.562 10.644 ( 0.739 -0.490 1.308) 1.580 10.707 ( -1.610 8.633 -0.117) 8.783 10.969 ( 0.827 7.165 -2.093) 7.510 11.119 ( -6.424 -4.601 -4.814) 9.252 17.436 ( 0.749 1.521 -0.002) 1.696 17.448 ( 0.532 1.072 -0.293) 1.232 17.477 ( -0.947 1.977 0.140) 2.197 17.485 ( -1.357 1.576 0.016) 2.080 17.501 ( 0.562 1.246 -0.084) 1.370 17.513 ( 0.258 1.089 -0.692) 1.316 17.556 ( 1.312 -0.394 1.034) 1.716 17.615 ( -1.267 -0.755 -0.687) 1.627 21.698 ( 0.690 3.018 1.773) 3.568 21.726 ( -0.687 2.032 1.522) 2.630 22.799 ( 4.175 -19.206 -1.548) 19.715 22.975 ( -4.603 -23.318 -5.310) 24.354 25.812 ( -0.092 0.670 -0.108) 0.685 25.816 ( -0.285 1.246 -0.158) 1.288 26.472 ( 1.361 -13.993 0.882) 14.086 26.524 ( -1.033 -13.660 -0.193) 13.700 27.021 ( 2.422 10.733 2.093) 11.200 27.179 ( -4.853 11.731 3.429) 13.151 27.233 ( 4.878 1.109 -2.062) 5.411 27.425 ( -4.394 3.761 -1.903) 6.089 31.772 ( 0.250 0.144 -0.325) 0.434 31.786 ( -0.527 0.302 -1.015) 1.183 31.847 ( 0.688 -1.396 1.304) 2.030 31.864 ( -0.219 -1.270 0.442) 1.363 51.364 ( 0.509 -1.560 3.209) 3.604 51.408 ( -1.845 -3.116 4.486) 5.766 51.745 ( 5.206 -11.676 -1.756) 12.904 51.915 ( -3.558 -16.319 -3.671) 17.101 ======================= Grid point 143 (56/96) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -6.427 18.516 13.042) 23.542 3.064 ( 6.427 18.516 13.042) 23.542 3.563 ( -2.100 15.800 -0.899) 15.964 3.563 ( 2.100 15.800 -0.899) 15.964 3.980 ( -4.567 8.330 0.218) 9.502 3.980 ( 4.567 8.330 0.218) 9.502 4.633 ( -10.035 15.037 -11.594) 21.476 4.633 ( 10.035 15.037 -11.594) 21.476 4.879 ( -4.653 3.313 -5.021) 7.604 4.879 ( 4.653 3.313 -5.021) 7.604 5.223 ( -1.299 -5.225 2.688) 6.018 5.223 ( 1.299 -5.225 2.688) 6.018 5.346 ( -9.962 2.452 5.594) 11.685 5.346 ( 9.962 2.452 5.594) 11.685 5.862 ( -7.479 5.098 3.408) 9.672 5.862 ( 7.479 5.098 3.408) 9.672 6.306 ( -1.539 0.662 6.368) 6.584 6.306 ( 1.539 0.662 6.368) 6.584 6.687 ( -12.447 -0.078 -0.043) 12.448 6.687 ( 12.447 -0.078 -0.043) 12.448 6.930 ( -9.111 9.955 -4.323) 14.170 6.930 ( 9.111 9.955 -4.323) 14.170 7.402 ( -3.890 6.791 -0.576) 7.847 7.402 ( 3.890 6.791 -0.576) 7.847 7.732 ( -4.134 6.914 2.131) 8.333 7.732 ( 4.134 6.914 2.131) 8.333 8.153 ( -1.275 6.062 -5.290) 8.146 8.153 ( 1.275 6.062 -5.290) 8.146 8.307 ( -2.961 -2.629 4.404) 5.923 8.307 ( 2.961 -2.629 4.404) 5.923 8.488 ( -2.848 -3.855 -0.198) 4.797 8.488 ( 2.848 -3.855 -0.198) 4.797 8.959 ( -2.987 12.550 2.622) 13.165 8.959 ( 2.987 12.550 2.622) 13.165 9.162 ( -5.079 9.554 -1.515) 10.925 9.162 ( 5.079 9.554 -1.515) 10.925 10.014 ( -1.911 -0.618 -1.160) 2.320 10.014 ( 1.911 -0.618 -1.160) 2.320 10.210 ( -1.857 -7.439 -1.118) 7.749 10.210 ( 1.857 -7.439 -1.118) 7.749 10.673 ( -2.078 4.013 1.325) 4.709 10.673 ( 2.078 4.013 1.325) 4.709 11.014 ( -4.347 2.247 -3.665) 6.114 11.014 ( 4.347 2.247 -3.665) 6.114 17.454 ( -0.806 1.519 -0.129) 1.724 17.454 ( 0.806 1.519 -0.129) 1.724 17.464 ( -0.431 1.562 0.136) 1.626 17.464 ( 0.431 1.562 0.136) 1.626 17.511 ( -0.417 1.649 -0.374) 1.742 17.511 ( 0.417 1.649 -0.374) 1.742 17.586 ( -1.750 -0.995 0.133) 2.017 17.586 ( 1.750 -0.995 0.133) 2.017 21.712 ( -0.794 2.600 1.633) 3.171 21.712 ( 0.794 2.600 1.633) 3.171 22.885 ( -5.017 -21.073 -3.379) 21.924 22.885 ( 5.017 -21.073 -3.379) 21.924 25.813 ( -0.116 0.959 -0.140) 0.976 25.813 ( 0.116 0.959 -0.140) 0.976 26.500 ( -1.543 -14.090 0.236) 14.176 26.500 ( 1.543 -14.090 0.236) 14.176 27.087 ( -4.608 11.517 3.209) 12.813 27.087 ( 4.608 11.517 3.209) 12.813 27.332 ( -5.516 2.354 -2.344) 6.440 27.332 ( 5.516 2.354 -2.344) 6.440 31.778 ( -0.392 0.387 -0.844) 1.008 31.778 ( 0.392 0.387 -0.844) 1.008 31.858 ( -0.457 -1.531 1.117) 1.950 31.858 ( 0.457 -1.531 1.117) 1.950 51.380 ( -1.239 -2.224 3.715) 4.504 51.380 ( 1.239 -2.224 3.715) 4.504 51.838 ( -4.780 -14.314 -2.673) 15.326 51.838 ( 4.780 -14.314 -2.673) 15.326 ======================= Grid point 147 (57/96) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 0.000 17.050 -0.431) 17.055 3.596 ( 0.000 2.157 -3.219) 3.875 3.717 ( 0.000 9.381 12.084) 15.298 3.893 ( 0.000 8.319 3.548) 9.045 4.307 ( 0.000 3.908 -1.748) 4.282 4.366 ( 0.000 1.373 -0.135) 1.380 4.564 ( 0.000 17.679 2.025) 17.795 4.676 ( 0.000 4.496 -2.276) 5.040 4.819 ( 0.000 1.937 0.984) 2.173 4.962 ( 0.000 6.377 5.935) 8.712 5.121 ( 0.000 3.176 -7.695) 8.324 5.148 ( 0.000 2.227 -7.069) 7.412 5.300 ( 0.000 0.328 -1.496) 1.531 5.397 ( 0.000 -8.264 4.761) 9.538 5.602 ( 0.000 -11.477 0.694) 11.498 5.614 ( 0.000 -14.654 0.270) 14.657 6.361 ( 0.000 2.531 6.580) 7.050 6.379 ( 0.000 3.508 4.609) 5.792 6.522 ( 0.000 3.869 -0.934) 3.980 6.627 ( 0.000 -1.748 -1.037) 2.033 7.189 ( 0.000 10.740 -0.122) 10.741 7.394 ( 0.000 10.665 -2.875) 11.046 7.438 ( 0.000 -0.478 2.046) 2.101 7.781 ( 0.000 -3.915 -4.861) 6.242 7.929 ( 0.000 2.437 -0.852) 2.582 7.974 ( 0.000 15.338 3.929) 15.833 8.020 ( 0.000 -3.904 -3.072) 4.967 8.257 ( 0.000 -2.121 3.944) 4.478 8.323 ( 0.000 0.540 -0.383) 0.662 8.363 ( 0.000 -3.181 -0.337) 3.198 8.375 ( 0.000 6.810 2.526) 7.263 8.426 ( 0.000 2.204 0.312) 2.226 9.004 ( 0.000 5.001 6.674) 8.340 9.022 ( 0.000 3.552 4.628) 5.834 9.485 ( 0.000 12.631 -4.126) 13.288 9.522 ( 0.000 16.445 -6.617) 17.727 9.836 ( 0.000 -1.592 0.258) 1.612 9.894 ( 0.000 -4.299 -1.885) 4.694 10.085 ( 0.000 -0.677 3.173) 3.244 10.136 ( 0.000 -2.695 0.744) 2.795 10.551 ( 0.000 -2.920 0.541) 2.969 10.886 ( 0.000 -6.312 -8.381) 10.492 11.076 ( 0.000 -0.900 0.815) 1.214 11.109 ( 0.000 4.552 -1.671) 4.849 17.440 ( 0.000 0.128 0.099) 0.161 17.449 ( 0.000 0.367 -0.103) 0.381 17.487 ( 0.000 0.250 0.025) 0.251 17.490 ( 0.000 0.229 -0.072) 0.240 17.531 ( 0.000 0.909 0.274) 0.949 17.541 ( 0.000 0.635 0.024) 0.635 17.578 ( 0.000 2.058 0.290) 2.079 17.631 ( 0.000 -0.502 -0.939) 1.065 21.814 ( 0.000 9.691 0.455) 9.701 21.861 ( 0.000 10.795 -0.070) 10.795 22.370 ( 0.000 -17.075 0.045) 17.075 22.577 ( 0.000 -23.716 -4.191) 24.084 25.861 ( 0.000 4.569 0.193) 4.573 25.882 ( 0.000 4.443 -0.292) 4.453 26.194 ( 0.000 -11.367 0.606) 11.383 26.250 ( 0.000 -14.674 -0.632) 14.688 27.145 ( 0.000 4.843 -0.359) 4.856 27.162 ( 0.000 3.128 -0.522) 3.172 27.474 ( 0.000 6.821 2.882) 7.405 27.580 ( 0.000 1.520 0.215) 1.535 31.767 ( 0.000 0.188 0.350) 0.397 31.786 ( 0.000 -0.744 -0.030) 0.744 31.832 ( 0.000 0.485 0.164) 0.512 31.854 ( 0.000 -0.597 -0.356) 0.695 51.359 ( 0.000 1.143 1.205) 1.661 51.421 ( 0.000 0.187 3.789) 3.794 51.483 ( 0.000 -5.343 -1.376) 5.517 51.679 ( 0.000 -12.736 -2.342) 12.949 ======================= Grid point 148 (58/96) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -0.832 16.550 1.310) 16.622 3.574 ( -3.275 7.196 4.089) 8.901 3.697 ( -1.120 2.934 4.719) 5.668 3.842 ( -4.489 7.225 2.949) 9.003 4.249 ( -2.784 5.574 0.960) 6.304 4.451 ( -4.994 16.498 -1.552) 17.307 4.499 ( 7.586 9.879 1.111) 12.505 4.786 ( 6.089 0.979 -6.846) 9.214 4.838 ( 3.375 -1.294 2.994) 4.693 5.013 ( 2.051 5.734 -2.379) 6.538 5.091 ( 0.068 4.688 -2.144) 5.156 5.177 ( -0.398 -0.868 -6.762) 6.829 5.273 ( -2.203 0.039 -0.542) 2.270 5.388 ( 2.935 -8.126 5.370) 10.172 5.595 ( 0.378 -7.106 2.846) 7.664 5.721 ( 7.873 -13.265 1.278) 15.478 6.353 ( -0.821 3.720 5.748) 6.896 6.390 ( 1.174 0.926 4.204) 4.462 6.479 ( -3.869 4.202 1.743) 5.971 6.652 ( 1.749 -4.202 -2.268) 5.085 7.165 ( -2.253 10.469 0.115) 10.710 7.365 ( -3.120 11.671 -3.216) 12.502 7.403 ( -3.269 -2.468 1.791) 4.470 7.726 ( -5.962 -3.724 -4.997) 8.625 7.922 ( -0.511 3.062 0.049) 3.105 7.955 ( -1.605 15.272 3.352) 15.718 8.043 ( 2.174 -4.420 -3.047) 5.792 8.225 ( -2.412 -3.334 1.506) 4.382 8.329 ( -0.718 -1.691 2.378) 3.005 8.343 ( 0.404 7.305 -0.884) 7.370 8.418 ( 2.666 1.166 1.111) 3.114 8.455 ( 2.432 1.983 1.133) 3.336 9.026 ( 2.577 5.757 6.415) 8.997 9.065 ( 4.456 3.576 3.584) 6.744 9.406 ( -5.823 14.147 -3.574) 15.711 9.528 ( -1.834 11.833 -4.946) 12.956 9.864 ( 2.962 -1.399 0.190) 3.281 9.920 ( 2.709 -4.125 -1.837) 5.266 10.093 ( 0.535 -0.242 2.071) 2.152 10.145 ( 0.548 -2.545 0.048) 2.603 10.571 ( 2.452 -1.417 0.768) 2.934 10.878 ( -0.779 -3.548 -7.510) 8.343 11.051 ( -2.547 -1.879 0.638) 3.229 11.095 ( -1.555 3.602 -1.850) 4.337 17.444 ( 0.463 0.402 0.095) 0.620 17.452 ( 0.360 0.298 -0.099) 0.478 17.497 ( 0.992 0.188 -0.007) 1.010 17.500 ( 1.009 0.322 -0.127) 1.066 17.523 ( -0.822 0.982 0.279) 1.311 17.533 ( -0.894 0.669 0.026) 1.117 17.576 ( -0.260 1.828 0.316) 1.873 17.624 ( -0.805 -0.549 -0.802) 1.262 21.818 ( 0.449 9.802 0.411) 9.821 21.859 ( -0.222 10.763 -0.037) 10.765 22.384 ( 1.503 -17.459 -0.270) 17.526 22.563 ( -1.455 -23.189 -3.929) 23.565 25.861 ( -0.061 4.543 0.173) 4.547 25.879 ( -0.355 4.442 -0.241) 4.463 26.196 ( 0.245 -11.659 0.593) 11.676 26.245 ( -0.516 -14.559 -0.484) 14.576 27.150 ( 1.176 5.519 0.201) 5.646 27.199 ( 3.400 2.588 -0.897) 4.366 27.443 ( -3.197 6.976 2.767) 8.158 27.554 ( -2.839 1.391 0.016) 3.162 31.770 ( 0.374 0.290 0.279) 0.550 31.789 ( 0.311 -0.508 -0.184) 0.623 31.830 ( -0.241 0.223 0.342) 0.475 31.851 ( -0.342 -0.700 -0.243) 0.816 51.359 ( -0.007 1.226 1.339) 1.815 51.408 ( -1.102 0.545 2.956) 3.202 51.505 ( 1.991 -6.253 -0.859) 6.618 51.668 ( -1.148 -12.462 -2.223) 12.711 ======================= Grid point 149 (59/96) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 0.758 15.553 5.084) 16.380 3.479 ( -6.001 11.982 10.080) 16.769 3.695 ( 0.624 -2.345 -1.257) 2.733 3.763 ( -3.617 3.794 1.528) 5.460 4.225 ( 0.192 12.362 2.429) 12.600 4.335 ( -5.671 23.139 1.635) 23.880 4.685 ( 10.428 4.357 -5.034) 12.372 4.855 ( 2.860 0.750 -3.854) 4.858 4.930 ( 3.665 -1.324 -7.237) 8.219 4.986 ( -2.402 1.370 -4.859) 5.591 5.063 ( -4.714 -0.607 -7.248) 8.668 5.152 ( -2.997 -1.529 -1.774) 3.804 5.284 ( 5.728 2.995 6.235) 8.981 5.493 ( 2.692 -0.127 4.882) 5.576 5.644 ( 7.284 -6.319 6.948) 11.886 5.835 ( 3.194 -11.112 2.131) 11.757 6.336 ( -0.854 3.244 4.843) 5.891 6.380 ( -3.264 5.161 3.679) 7.129 6.454 ( 3.197 -4.378 4.385) 6.973 6.655 ( -2.508 -9.139 -2.239) 9.738 7.129 ( -0.549 11.319 0.325) 11.337 7.279 ( -5.864 11.500 -3.131) 13.283 7.364 ( 0.270 -3.626 -0.360) 3.654 7.581 ( -9.026 -3.095 -4.296) 10.464 7.916 ( -0.136 5.300 0.926) 5.382 7.930 ( -1.040 13.238 2.406) 13.495 8.089 ( 2.706 -4.923 -3.032) 6.383 8.182 ( -2.304 -4.455 -0.768) 5.074 8.326 ( 0.390 2.972 1.491) 3.348 8.345 ( -0.218 5.960 0.919) 6.035 8.465 ( 2.189 1.491 0.909) 2.800 8.490 ( 1.118 1.582 1.211) 2.285 9.095 ( 4.715 7.671 4.718) 10.165 9.176 ( 7.291 3.956 1.689) 8.465 9.297 ( -5.917 12.737 -1.268) 14.101 9.450 ( -6.130 7.561 -2.448) 10.037 9.935 ( 4.495 -0.807 -0.298) 4.576 9.986 ( 4.141 -3.548 -1.687) 5.708 10.087 ( -1.459 -0.593 0.419) 1.630 10.137 ( -1.768 -3.433 -0.610) 3.909 10.648 ( 5.861 2.378 0.619) 6.355 10.852 ( -2.567 3.957 -4.451) 6.485 11.001 ( -1.967 -5.119 -0.759) 5.536 11.054 ( -2.814 0.931 -2.262) 3.728 17.458 ( 0.996 0.724 0.062) 1.233 17.462 ( 0.766 0.441 -0.062) 0.886 17.502 ( -1.106 0.777 0.194) 1.366 17.510 ( -1.334 0.623 0.015) 1.472 17.520 ( 1.145 0.745 -0.048) 1.367 17.526 ( 1.584 0.477 -0.318) 1.684 17.568 ( -0.509 1.097 0.445) 1.288 17.602 ( -1.500 -0.611 -0.438) 1.678 21.829 ( 0.695 10.080 0.300) 10.108 21.853 ( -0.470 10.640 0.050) 10.650 22.423 ( 2.573 -18.542 -1.099) 18.752 22.526 ( -2.521 -21.825 -3.202) 22.202 25.860 ( 0.051 4.489 0.111) 4.490 25.871 ( -0.470 4.439 -0.123) 4.465 26.203 ( 0.566 -12.420 0.502) 12.443 26.232 ( -0.846 -14.135 -0.124) 14.161 27.193 ( 3.430 6.535 0.951) 7.442 27.278 ( 5.075 1.819 -1.053) 5.493 27.365 ( -4.976 7.197 2.372) 9.066 27.481 ( -4.973 1.230 -0.437) 5.142 31.779 ( 0.602 0.563 0.045) 0.825 31.794 ( 0.122 0.325 -0.551) 0.651 31.826 ( -0.041 -0.665 0.750) 1.003 31.842 ( -0.582 -0.971 0.083) 1.135 51.361 ( 0.284 1.380 1.613) 2.142 51.387 ( -1.079 1.120 2.285) 2.764 51.548 ( 2.573 -8.219 -0.924) 8.662 51.638 ( -2.047 -11.612 -1.883) 11.941 ======================= Grid point 150 (60/96) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -3.809 13.992 8.593) 16.856 3.385 ( 3.809 13.992 8.593) 16.856 3.715 ( -1.685 -0.519 -0.253) 1.782 3.715 ( 1.685 -0.519 -0.253) 1.782 4.255 ( -3.013 19.159 2.356) 19.537 4.255 ( 3.013 19.159 2.356) 19.537 4.854 ( -6.544 2.236 -7.602) 10.277 4.854 ( 6.544 2.236 -7.602) 10.277 4.934 ( -2.359 2.647 -6.059) 7.020 4.934 ( 2.359 2.647 -6.059) 7.020 5.071 ( -4.654 -5.646 -3.589) 8.149 5.071 ( 4.654 -5.646 -3.589) 8.149 5.427 ( -7.598 5.801 7.773) 12.321 5.427 ( 7.598 5.801 7.773) 12.321 5.805 ( -6.568 -8.992 4.192) 11.898 5.805 ( 6.568 -8.992 4.192) 11.898 6.336 ( -1.169 3.058 5.121) 6.078 6.336 ( 1.169 3.058 5.121) 6.078 6.555 ( -6.975 -8.624 1.082) 11.144 6.555 ( 6.975 -8.624 1.082) 11.144 7.173 ( -4.956 10.995 -1.772) 12.190 7.173 ( 4.956 10.995 -1.772) 12.190 7.429 ( -6.568 -2.910 -2.781) 7.704 7.429 ( 6.568 -2.910 -2.781) 7.704 7.917 ( -0.336 9.198 1.573) 9.337 7.917 ( 0.336 9.198 1.573) 9.337 8.138 ( -2.538 -4.791 -2.373) 5.918 8.138 ( 2.538 -4.791 -2.373) 5.918 8.337 ( -0.655 4.946 1.500) 5.209 8.337 ( 0.655 4.946 1.500) 5.209 8.493 ( -0.768 1.624 0.931) 2.023 8.493 ( 0.768 1.624 0.931) 2.023 9.191 ( -5.605 10.247 1.727) 11.807 9.191 ( 5.605 10.247 1.727) 11.807 9.319 ( -7.865 5.085 -0.226) 9.369 9.319 ( 7.866 5.085 -0.226) 9.369 10.014 ( -3.206 0.278 -1.358) 3.493 10.014 ( 3.206 0.278 -1.358) 3.493 10.084 ( -3.205 -4.800 -0.136) 5.774 10.084 ( 3.205 -4.800 -0.136) 5.774 10.767 ( -6.334 5.811 -0.786) 8.632 10.767 ( 6.334 5.811 -0.786) 8.632 11.004 ( -2.057 -3.303 -2.483) 4.616 11.004 ( 2.057 -3.303 -2.483) 4.616 17.476 ( -0.300 0.856 -0.124) 0.915 17.476 ( 0.300 0.856 -0.124) 0.915 17.487 ( -0.497 0.602 0.266) 0.825 17.487 ( 0.497 0.602 0.266) 0.825 17.539 ( -0.628 1.257 -0.388) 1.458 17.539 ( 0.628 1.257 -0.388) 1.458 17.573 ( -1.444 -0.545 0.214) 1.558 17.573 ( 1.444 -0.545 0.214) 1.558 21.842 ( -0.673 10.398 0.168) 10.422 21.842 ( 0.673 10.398 0.168) 10.422 22.474 ( -2.933 -20.113 -2.175) 20.442 22.474 ( 2.933 -20.113 -2.175) 20.442 25.864 ( -0.304 4.448 0.007) 4.459 25.864 ( 0.304 4.448 0.007) 4.459 26.216 ( -0.841 -13.357 0.256) 13.386 26.216 ( 0.841 -13.357 0.256) 13.386 27.271 ( -4.945 7.114 1.722) 8.834 27.271 ( 4.945 7.114 1.722) 8.834 27.380 ( -5.737 1.349 -0.866) 5.957 27.380 ( 5.737 1.349 -0.866) 5.957 31.790 ( -0.495 0.827 -0.370) 1.032 31.790 ( 0.495 0.827 -0.370) 1.032 31.831 ( -0.530 -1.214 0.566) 1.440 31.831 ( 0.530 -1.214 0.566) 1.440 51.370 ( -0.735 1.397 1.908) 2.476 51.370 ( 0.735 1.397 1.908) 2.476 51.596 ( -2.545 -10.158 -1.393) 10.565 51.596 ( 2.545 -10.158 -1.393) 10.565 ======================= Grid point 154 (61/96) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 0.000 -5.099 -3.587) 6.234 3.574 ( 0.000 5.099 -3.587) 6.234 3.905 ( 0.000 -7.318 9.955) 12.356 3.905 ( 0.000 7.318 9.955) 12.356 4.313 ( 0.000 -0.016 1.716) 1.716 4.313 ( 0.000 0.016 1.716) 1.716 4.761 ( 0.000 -1.595 -3.457) 3.807 4.761 ( 0.000 1.595 -3.457) 3.807 5.049 ( 0.000 -9.241 -1.230) 9.323 5.049 ( 0.000 9.241 -1.230) 9.323 5.135 ( 0.000 -5.903 5.008) 7.741 5.135 ( 0.000 5.903 5.008) 7.742 5.239 ( 0.000 -6.590 -6.909) 9.548 5.239 ( 0.000 6.590 -6.909) 9.548 5.462 ( 0.000 -1.442 1.045) 1.781 5.462 ( 0.000 1.442 1.045) 1.781 6.398 ( 0.000 -0.940 6.239) 6.309 6.398 ( 0.000 0.940 6.239) 6.309 6.573 ( 0.000 -2.323 -2.323) 3.285 6.573 ( 0.000 2.323 -2.323) 3.285 7.343 ( 0.000 -5.035 2.189) 5.490 7.343 ( 0.000 5.035 2.189) 5.490 7.638 ( 0.000 -9.333 -4.045) 10.172 7.638 ( 0.000 9.333 -4.045) 10.172 7.968 ( 0.000 -1.717 -2.476) 3.013 7.968 ( 0.000 1.717 -2.476) 3.013 8.253 ( 0.000 -2.914 3.725) 4.729 8.253 ( 0.000 2.914 3.725) 4.729 8.267 ( 0.000 -10.218 0.843) 10.253 8.267 ( 0.000 10.218 0.843) 10.253 8.452 ( 0.000 -0.743 0.712) 1.029 8.452 ( 0.000 0.743 0.712) 1.029 9.056 ( 0.000 -0.333 6.682) 6.690 9.056 ( 0.000 0.333 6.682) 6.690 9.662 ( 0.000 -3.041 -5.954) 6.686 9.662 ( 0.000 3.042 -5.954) 6.686 9.835 ( 0.000 -1.539 -0.183) 1.550 9.835 ( 0.000 1.539 -0.183) 1.550 10.096 ( 0.000 -1.423 1.468) 2.044 10.096 ( 0.000 1.423 1.468) 2.044 10.635 ( 0.000 -11.801 -3.573) 12.330 10.635 ( 0.000 11.801 -3.573) 12.330 11.135 ( 0.000 -1.880 -1.067) 2.162 11.135 ( 0.000 1.880 -1.067) 2.162 17.446 ( 0.000 -0.395 0.052) 0.399 17.446 ( 0.000 0.395 0.052) 0.399 17.491 ( 0.000 -0.099 -0.060) 0.116 17.491 ( 0.000 0.099 -0.060) 0.116 17.543 ( 0.000 -0.310 0.147) 0.343 17.543 ( 0.000 0.310 0.147) 0.343 17.613 ( 0.000 -1.380 -0.282) 1.409 17.613 ( 0.000 1.380 -0.282) 1.409 22.053 ( 0.000 -13.606 -0.372) 13.611 22.053 ( 0.000 13.606 -0.372) 13.611 22.157 ( 0.000 -17.729 -1.494) 17.792 22.157 ( 0.000 17.729 -1.494) 17.792 25.998 ( 0.000 -0.620 -0.269) 0.676 25.998 ( 0.000 0.620 -0.269) 0.676 26.009 ( 0.000 -1.448 0.129) 1.454 26.009 ( 0.000 1.448 0.129) 1.454 27.194 ( 0.000 -0.228 -0.367) 0.432 27.194 ( 0.000 0.228 -0.367) 0.432 27.568 ( 0.000 -2.730 1.521) 3.125 27.568 ( 0.000 2.730 1.521) 3.125 31.774 ( 0.000 -0.495 0.195) 0.532 31.774 ( 0.000 0.495 0.195) 0.532 31.843 ( 0.000 -0.551 -0.098) 0.560 31.843 ( 0.000 0.551 -0.098) 0.560 51.401 ( 0.000 -3.065 0.020) 3.065 51.401 ( 0.000 3.065 0.020) 3.065 51.487 ( 0.000 -6.642 0.401) 6.654 51.487 ( 0.000 6.642 0.401) 6.654 ======================= Grid point 156 (62/96) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -0.292 -6.154 -2.255) 6.560 3.569 ( -0.292 6.154 -2.255) 6.560 3.830 ( -6.688 -7.184 8.621) 13.064 3.830 ( -6.688 7.184 8.621) 13.064 4.386 ( 6.530 -9.005 2.182) 11.335 4.386 ( 6.530 9.005 2.182) 11.335 4.778 ( 1.493 -4.498 -4.149) 6.299 4.778 ( 1.493 4.498 -4.149) 6.299 4.970 ( -6.478 -13.322 -2.240) 14.982 4.970 ( -6.478 13.322 -2.240) 14.982 5.193 ( 3.406 -2.627 3.141) 5.326 5.193 ( 3.406 2.627 3.141) 5.326 5.236 ( 1.978 -5.120 -4.362) 7.011 5.236 ( 1.978 5.120 -4.362) 7.011 5.536 ( 6.508 -3.166 1.963) 7.499 5.536 ( 6.508 3.166 1.963) 7.499 6.391 ( -0.636 -0.765 6.047) 6.129 6.391 ( -0.636 0.765 6.047) 6.129 6.556 ( -2.005 -4.248 -1.580) 4.956 6.556 ( -2.005 4.248 -1.580) 4.956 7.314 ( -2.561 -4.935 1.809) 5.847 7.314 ( -2.561 4.936 1.809) 5.847 7.590 ( -5.039 -8.945 -3.944) 10.998 7.590 ( -5.039 8.945 -3.944) 10.998 7.976 ( 0.961 -2.602 -2.049) 3.448 7.976 ( 0.961 2.602 -2.049) 3.448 8.167 ( -4.608 -4.054 1.257) 6.265 8.167 ( -4.608 4.054 1.257) 6.265 8.349 ( 4.381 -5.441 2.500) 7.419 8.349 ( 4.381 5.441 2.500) 7.419 8.462 ( 0.841 -2.367 0.709) 2.610 8.462 ( 0.841 2.367 0.709) 2.610 9.093 ( 3.953 -0.948 5.790) 7.075 9.093 ( 3.953 0.948 5.790) 7.075 9.605 ( -5.553 -4.462 -4.564) 8.460 9.605 ( -5.553 4.462 -4.564) 8.460 9.863 ( 2.959 -1.371 -0.112) 3.263 9.863 ( 2.959 1.371 -0.112) 3.263 10.108 ( 0.616 -1.359 0.342) 1.531 10.108 ( 0.616 1.359 0.342) 1.531 10.666 ( 3.487 -10.912 -3.096) 11.867 10.666 ( 3.487 10.912 -3.096) 11.867 11.107 ( -3.110 -2.351 -1.167) 4.069 11.107 ( -3.110 2.351 -1.167) 4.069 17.451 ( 0.533 -0.291 0.065) 0.610 17.451 ( 0.533 0.291 0.065) 0.610 17.501 ( 0.993 -0.145 -0.093) 1.008 17.501 ( 0.993 0.145 -0.093) 1.008 17.536 ( -0.788 -0.303 0.178) 0.863 17.536 ( -0.788 0.303 0.178) 0.863 17.607 ( -0.685 -1.230 -0.248) 1.430 17.607 ( -0.685 1.230 -0.248) 1.430 22.061 ( 0.872 -13.878 -0.472) 13.913 22.061 ( 0.872 13.878 -0.472) 13.913 22.152 ( -0.630 -17.446 -1.446) 17.517 22.152 ( -0.630 17.446 -1.446) 17.517 25.997 ( -0.146 -2.586 -0.178) 2.596 25.997 ( -0.146 2.586 -0.178) 2.596 26.006 ( -0.294 -2.920 0.147) 2.938 26.006 ( -0.294 2.920 0.147) 2.939 27.216 ( 2.340 -1.166 -0.289) 2.631 27.216 ( 2.340 1.166 -0.289) 2.631 27.540 ( -2.995 -2.817 1.366) 4.332 27.540 ( -2.995 2.817 1.366) 4.332 31.778 ( 0.515 -0.513 0.187) 0.750 31.778 ( 0.515 0.513 0.187) 0.750 31.838 ( -0.477 -0.562 -0.067) 0.740 31.838 ( -0.477 0.562 -0.067) 0.740 51.406 ( 0.502 -3.456 0.036) 3.493 51.406 ( 0.502 3.456 0.036) 3.493 51.480 ( -0.729 -6.486 0.368) 6.537 51.480 ( -0.729 6.486 0.368) 6.537 ======================= Grid point 158 (63/96) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( 0.924 -7.481 0.693) 7.569 3.572 ( 0.924 7.481 0.693) 7.570 3.704 ( -6.337 -7.593 6.394) 11.777 3.704 ( -6.337 7.593 6.394) 11.777 4.513 ( 6.906 -15.042 2.256) 16.705 4.513 ( 6.906 15.042 2.256) 16.705 4.756 ( -5.314 -16.429 -1.027) 17.298 4.756 ( -5.314 16.429 -1.027) 17.298 4.919 ( 2.852 -1.890 -6.403) 7.260 4.919 ( 2.852 1.890 -6.403) 7.260 5.133 ( -5.755 -4.663 -7.571) 10.591 5.133 ( -5.755 4.663 -7.571) 10.591 5.410 ( 11.865 -9.730 5.716) 16.375 5.410 ( 11.865 9.730 5.716) 16.375 5.635 ( 2.698 -7.543 3.861) 8.893 5.635 ( 2.698 7.543 3.861) 8.893 6.384 ( 0.200 -2.250 5.148) 5.622 6.384 ( 0.200 2.250 5.148) 5.622 6.495 ( -4.544 -6.566 0.623) 8.009 6.495 ( -4.544 6.566 0.623) 8.009 7.284 ( 0.188 -5.080 0.188) 5.087 7.284 ( 0.188 5.080 0.188) 5.087 7.468 ( -7.615 -7.652 -3.334) 11.299 7.468 ( -7.615 7.652 -3.334) 11.299 8.003 ( 1.862 -3.914 -1.514) 4.591 8.003 ( 1.862 3.914 -1.514) 4.591 8.095 ( -3.302 -4.668 -0.100) 5.719 8.095 ( -3.302 4.668 -0.100) 5.719 8.418 ( 3.018 -5.624 2.219) 6.758 8.418 ( 3.018 5.624 2.219) 6.758 8.472 ( 0.038 -4.105 1.065) 4.241 8.472 ( 0.038 4.105 1.065) 4.241 9.195 ( 6.895 -2.164 3.442) 8.005 9.195 ( 6.895 2.164 3.442) 8.005 9.480 ( -7.636 -4.652 -2.114) 9.188 9.480 ( -7.636 4.652 -2.114) 9.188 9.936 ( 4.721 -1.110 -0.170) 4.853 9.936 ( 4.721 1.110 -0.170) 4.853 10.094 ( -2.415 -1.074 -0.644) 2.721 10.094 ( -2.415 1.074 -0.644) 2.721 10.763 ( 6.759 -8.371 -2.325) 11.008 10.763 ( 6.759 8.371 -2.325) 11.008 11.023 ( -5.883 -3.585 -1.440) 7.038 11.023 ( -5.883 3.585 -1.440) 7.038 17.466 ( 1.037 -0.097 0.086) 1.045 17.466 ( 1.037 0.097 0.086) 1.045 17.512 ( -0.992 -0.259 -0.047) 1.026 17.512 ( -0.992 0.259 -0.047) 1.026 17.530 ( 1.317 -0.187 0.117) 1.336 17.530 ( 1.317 0.187 0.117) 1.336 17.588 ( -1.310 -0.869 -0.166) 1.581 17.588 ( -1.310 0.869 -0.166) 1.581 22.083 ( 1.414 -14.622 -0.729) 14.708 22.083 ( 1.414 14.622 -0.729) 14.708 22.135 ( -1.172 -16.679 -1.293) 16.770 22.135 ( -1.172 16.679 -1.293) 16.770 25.994 ( -0.096 -4.411 0.008) 4.412 25.994 ( -0.096 4.411 0.008) 4.412 25.999 ( -0.347 -4.575 0.176) 4.591 25.999 ( -0.347 4.575 0.176) 4.591 27.278 ( 4.301 -2.099 -0.027) 4.786 27.278 ( 4.301 2.099 -0.027) 4.786 27.465 ( -4.951 -2.896 0.952) 5.814 27.465 ( -4.951 2.896 0.952) 5.814 31.792 ( 0.875 -0.550 0.156) 1.045 31.792 ( 0.875 0.550 0.156) 1.045 31.826 ( -0.836 -0.579 0.009) 1.017 31.826 ( -0.836 0.579 0.009) 1.017 51.419 ( 0.945 -4.336 0.090) 4.438 51.419 ( 0.945 4.336 0.090) 4.438 51.462 ( -1.172 -6.020 0.282) 6.140 51.462 ( -1.172 6.020 0.282) 6.140 ======================= Grid point 160 (64/96) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -3.303 -8.835 3.754) 10.152 3.612 ( 2.992 -8.807 3.754) 10.031 3.612 ( -2.992 8.807 3.754) 10.031 3.612 ( 3.303 8.835 3.754) 10.152 4.637 ( -6.722 -17.780 1.336) 19.055 4.637 ( 6.667 -17.775 1.336) 19.031 4.637 ( -6.667 17.775 1.336) 19.031 4.637 ( 6.722 17.780 1.336) 19.055 5.017 ( -6.451 -3.406 -8.283) 11.037 5.017 ( 2.327 -1.598 -8.283) 8.750 5.017 ( -2.327 1.598 -8.283) 8.750 5.017 ( 6.451 3.406 -8.283) 11.037 5.597 ( -6.683 -10.719 5.509) 13.781 5.597 ( 5.878 -10.601 5.509) 13.315 5.597 ( -5.878 10.601 5.509) 13.315 5.597 ( 6.683 10.719 5.509) 13.781 6.414 ( -3.369 -5.258 3.230) 7.031 6.414 ( 3.360 -5.257 3.230) 7.025 6.414 ( -3.360 5.257 3.230) 7.025 6.414 ( 3.369 5.258 3.230) 7.031 7.339 ( -5.645 -6.148 -1.955) 8.572 7.339 ( 5.632 -6.145 -1.955) 8.562 7.339 ( -5.632 6.145 -1.955) 8.562 7.339 ( 5.645 6.148 -1.955) 8.572 8.043 ( -2.452 -4.720 -1.011) 5.415 8.043 ( 2.430 -4.718 -1.011) 5.402 8.043 ( -2.430 4.718 -1.011) 5.402 8.043 ( 2.452 4.721 -1.011) 5.415 8.459 ( -1.460 -5.233 1.679) 5.687 8.459 ( 1.450 -5.232 1.679) 5.683 8.459 ( -1.450 5.233 1.679) 5.683 8.459 ( 1.460 5.233 1.679) 5.687 9.334 ( -8.026 -3.594 0.579) 8.813 9.334 ( -5.629 2.176 0.579) 6.063 9.334 ( 5.629 -2.176 0.579) 6.063 9.334 ( 8.026 3.594 0.579) 8.814 10.026 ( -4.481 -1.185 -0.509) 4.662 10.026 ( -3.817 0.165 -0.509) 3.854 10.026 ( 3.817 -0.165 -0.509) 3.854 10.026 ( 4.481 1.185 -0.509) 4.662 10.898 ( -6.915 -6.666 -1.817) 9.775 10.898 ( 3.174 -5.916 -1.817) 6.955 10.898 ( -3.174 5.916 -1.817) 6.955 10.898 ( 6.915 6.666 -1.817) 9.775 17.488 ( -1.265 -0.247 0.085) 1.291 17.488 ( -1.167 -0.040 0.085) 1.171 17.488 ( 1.167 0.040 0.085) 1.171 17.488 ( 1.265 0.247 0.085) 1.291 17.560 ( -1.514 -0.717 -0.069) 1.677 17.560 ( -0.847 -0.347 -0.069) 0.918 17.560 ( 0.847 0.347 -0.069) 0.918 17.560 ( 1.514 0.717 -0.069) 1.677 22.110 ( -1.423 -16.437 -1.037) 16.531 22.110 ( 1.410 -16.436 -1.037) 16.529 22.110 ( -1.410 16.436 -1.037) 16.529 22.110 ( 1.423 16.437 -1.037) 16.531 25.995 ( -0.083 -8.958 0.145) 8.960 25.995 ( 0.082 -8.958 0.145) 8.959 25.995 ( -0.082 8.958 0.145) 8.960 25.995 ( 0.083 8.958 0.145) 8.960 27.368 ( -5.336 -2.705 0.426) 5.997 27.368 ( 0.368 -0.484 0.426) 0.743 27.368 ( -0.368 0.484 0.426) 0.743 27.368 ( 5.336 2.705 0.426) 5.998 31.809 ( -0.763 -1.002 0.094) 1.263 31.809 ( 0.095 -0.928 0.094) 0.937 31.809 ( -0.095 0.928 0.094) 0.937 31.809 ( 0.763 1.002 0.094) 1.263 51.439 ( -1.143 -5.688 0.177) 5.805 51.439 ( 1.106 -5.686 0.177) 5.795 51.439 ( -1.106 5.686 0.177) 5.795 51.439 ( 1.143 5.688 0.177) 5.805 ======================= Grid point 210 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 0.000 16.025) 16.025 1.001 ( 0.000 0.000 -13.025) 13.025 1.569 ( 0.000 0.000 38.206) 38.206 2.270 ( 0.000 0.000 -19.986) 19.986 2.657 ( 0.000 0.000 32.647) 32.647 2.885 ( 0.000 0.000 8.417) 8.417 3.189 ( 0.000 0.000 0.198) 0.198 3.465 ( 0.000 0.000 10.391) 10.391 3.579 ( 0.000 0.000 -22.627) 22.627 3.671 ( 0.000 0.000 -9.417) 9.417 4.210 ( 0.000 0.000 3.067) 3.067 4.273 ( 0.000 0.000 -2.956) 2.956 4.551 ( 0.000 0.000 3.049) 3.049 4.602 ( 0.000 0.000 -6.548) 6.548 4.615 ( 0.000 0.000 -3.130) 3.130 4.673 ( 0.000 0.000 -10.838) 10.838 5.258 ( 0.000 0.000 15.854) 15.854 5.587 ( 0.000 0.000 -17.963) 17.963 5.765 ( 0.000 0.000 7.172) 7.172 5.877 ( 0.000 0.000 -3.949) 3.949 6.975 ( 0.000 0.000 2.196) 2.196 7.019 ( 0.000 0.000 -2.106) 2.106 7.078 ( 0.000 0.000 0.959) 0.959 7.097 ( 0.000 0.000 -0.875) 0.875 7.165 ( 0.000 0.000 13.356) 13.356 7.431 ( 0.000 0.000 -12.071) 12.071 7.620 ( 0.000 0.000 8.481) 8.481 7.727 ( 0.000 0.000 -2.561) 2.561 8.088 ( 0.000 0.000 -0.926) 0.926 8.088 ( 0.000 0.000 -0.537) 0.537 8.512 ( 0.000 0.000 22.123) 22.123 8.875 ( 0.000 0.000 -3.307) 3.307 9.089 ( 0.000 0.000 1.116) 1.116 9.115 ( 0.000 0.000 -1.447) 1.447 9.135 ( 0.000 0.000 -0.043) 0.043 9.182 ( 0.000 0.000 -13.373) 13.373 9.230 ( 0.000 0.000 0.568) 0.568 9.238 ( 0.000 0.000 -0.298) 0.298 9.841 ( 0.000 0.000 -2.240) 2.240 9.855 ( 0.000 0.000 -3.746) 3.746 10.786 ( 0.000 0.000 4.891) 4.891 10.905 ( 0.000 0.000 -6.851) 6.851 11.721 ( 0.000 0.000 8.313) 8.313 11.890 ( 0.000 0.000 -8.044) 8.044 17.257 ( 0.000 0.000 0.456) 0.456 17.267 ( 0.000 0.000 -0.505) 0.505 17.320 ( 0.000 0.000 0.178) 0.178 17.323 ( 0.000 0.000 -0.124) 0.124 17.419 ( 0.000 0.000 0.144) 0.144 17.423 ( 0.000 0.000 -0.274) 0.274 17.783 ( 0.000 0.000 4.297) 4.297 17.882 ( 0.000 0.000 -5.288) 5.288 23.440 ( 0.000 0.000 0.572) 0.572 23.452 ( 0.000 0.000 -0.577) 0.577 23.486 ( 0.000 0.000 19.770) 19.770 23.862 ( 0.000 0.000 -16.410) 16.410 25.467 ( 0.000 0.000 1.262) 1.262 25.499 ( 0.000 0.000 -1.745) 1.745 25.677 ( 0.000 0.000 0.062) 0.062 25.678 ( 0.000 0.000 -0.060) 0.060 26.059 ( 0.000 0.000 3.141) 3.141 26.131 ( 0.000 0.000 -3.852) 3.852 27.989 ( 0.000 0.000 18.462) 18.462 28.378 ( 0.000 0.000 -18.940) 18.940 31.900 ( 0.000 0.000 1.730) 1.730 31.936 ( 0.000 0.000 -1.695) 1.695 31.988 ( 0.000 0.000 1.501) 1.501 32.005 ( 0.000 0.000 -0.167) 0.167 51.812 ( 0.000 0.000 13.293) 13.293 52.074 ( 0.000 0.000 -11.798) 11.798 53.581 ( 0.000 0.000 2.174) 2.174 53.636 ( 0.000 0.000 -3.089) 3.089 ======================= Grid point 211 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 22.102 0.000 11.192) 24.774 1.164 ( 15.734 0.000 -9.797) 18.535 1.538 ( -0.269 0.000 35.212) 35.213 2.181 ( -6.568 0.000 -18.221) 19.369 2.598 ( -6.803 0.000 8.055) 10.543 2.813 ( -13.966 0.000 -7.801) 15.997 3.346 ( -11.886 0.000 7.764) 14.197 3.348 ( 25.993 0.000 29.566) 39.368 3.493 ( -16.463 0.000 -6.248) 17.608 3.872 ( 23.537 0.000 -14.749) 27.777 4.241 ( 1.891 0.000 1.713) 2.551 4.292 ( 1.167 0.000 -3.115) 3.327 4.589 ( 1.214 0.000 -0.521) 1.322 4.598 ( 5.308 0.000 3.908) 6.592 4.673 ( 4.913 0.000 -3.371) 5.958 4.724 ( 2.194 0.000 -13.438) 13.616 5.275 ( 1.730 0.000 9.432) 9.589 5.458 ( -6.471 0.000 -7.568) 9.958 5.870 ( -2.886 0.000 7.103) 7.667 5.999 ( 16.984 0.000 -6.873) 18.322 6.897 ( -21.138 0.000 7.523) 22.437 6.980 ( 0.575 0.000 2.100) 2.177 7.023 ( 0.347 0.000 -1.995) 2.025 7.070 ( -0.801 0.000 1.007) 1.287 7.072 ( -26.966 0.000 -8.009) 28.130 7.091 ( -0.665 0.000 -0.948) 1.158 7.580 ( -10.202 0.000 3.625) 10.827 7.621 ( -8.244 0.000 -0.048) 8.244 8.166 ( 4.263 0.000 2.230) 4.811 8.200 ( 3.897 0.000 -0.357) 3.913 8.585 ( 12.163 0.000 18.064) 21.777 8.877 ( 0.038 0.000 -7.270) 7.270 9.097 ( 0.833 0.000 1.036) 1.330 9.121 ( 0.631 0.000 -1.360) 1.499 9.224 ( -0.638 0.000 0.597) 0.874 9.233 ( -0.584 0.000 -0.333) 0.672 9.233 ( 12.246 0.000 2.551) 12.509 9.374 ( 14.645 0.000 -12.340) 19.151 9.739 ( -6.802 0.000 2.110) 7.122 9.858 ( -2.398 0.000 -8.567) 8.896 10.730 ( -5.933 0.000 4.118) 7.222 10.832 ( -7.401 0.000 -5.610) 9.288 11.782 ( 6.014 0.000 8.018) 10.023 11.951 ( 5.157 0.000 -8.629) 10.052 17.261 ( 0.482 0.000 0.410) 0.633 17.270 ( 0.376 0.000 -0.453) 0.588 17.317 ( -0.398 0.000 0.151) 0.426 17.319 ( -0.448 0.000 -0.104) 0.460 17.394 ( -2.271 0.000 0.891) 2.440 17.407 ( -1.479 0.000 -0.416) 1.536 17.806 ( 2.111 0.000 2.536) 3.300 17.883 ( 0.067 0.000 -4.631) 4.632 23.341 ( -14.005 0.000 16.435) 21.593 23.439 ( -0.133 0.000 0.497) 0.514 23.449 ( -0.304 0.000 -0.500) 0.585 23.565 ( -24.970 0.000 -3.210) 25.176 25.447 ( -1.175 0.000 1.065) 1.586 25.480 ( -1.546 0.000 -2.003) 2.530 25.678 ( 0.125 0.000 0.053) 0.136 25.680 ( 0.106 0.000 -0.052) 0.118 26.089 ( 2.746 0.000 3.537) 4.478 26.166 ( 2.078 0.000 -3.679) 4.225 28.225 ( 19.851 0.000 6.050) 20.752 28.464 ( 8.145 0.000 -15.026) 17.092 31.848 ( -3.188 0.000 -0.035) 3.189 31.861 ( -4.162 0.000 -1.245) 4.344 32.068 ( 5.266 0.000 2.241) 5.723 32.085 ( 5.248 0.000 0.686) 5.292 51.836 ( 2.529 0.000 12.976) 13.221 52.075 ( -0.240 0.000 -9.370) 9.373 53.467 ( -9.972 0.000 5.385) 11.333 53.567 ( -6.842 0.000 -4.681) 8.290 ======================= Grid point 212 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 21.695 0.000 6.014) 22.513 1.482 ( 16.072 0.000 -4.171) 16.605 1.649 ( 12.722 0.000 22.836) 26.141 2.117 ( 0.043 0.000 -13.771) 13.771 2.371 ( -16.134 0.000 -1.732) 16.227 2.544 ( -14.232 0.000 -14.864) 20.579 3.092 ( -13.464 0.000 3.334) 13.870 3.163 ( -17.230 0.000 -3.306) 17.544 3.945 ( 34.967 0.000 30.895) 46.661 4.268 ( 1.164 0.000 1.186) 1.661 4.296 ( 20.578 0.000 -1.003) 20.603 4.298 ( -0.336 0.000 -1.538) 1.575 4.634 ( 0.044 0.000 -0.160) 0.166 4.709 ( 5.532 0.000 2.093) 5.915 4.723 ( -0.188 0.000 -6.482) 6.485 4.754 ( 3.212 0.000 -2.248) 3.921 5.262 ( -3.745 0.000 6.068) 7.131 5.449 ( 1.291 0.000 -8.760) 8.855 5.677 ( -12.833 0.000 23.194) 26.507 6.192 ( -5.117 0.000 -21.008) 21.622 6.632 ( -4.956 0.000 1.996) 5.343 6.712 ( -4.206 0.000 -4.501) 6.161 6.995 ( 1.091 0.000 1.827) 2.128 7.031 ( 0.305 0.000 -1.267) 1.303 7.052 ( -0.896 0.000 0.720) 1.150 7.074 ( -1.046 0.000 -1.135) 1.544 7.350 ( -11.512 0.000 3.023) 11.903 7.435 ( -11.809 0.000 -5.422) 12.994 8.191 ( -0.328 0.000 2.058) 2.084 8.208 ( -1.300 0.000 1.292) 1.833 8.839 ( 11.225 0.000 8.085) 13.834 8.921 ( 4.007 0.000 1.367) 4.234 9.117 ( 1.244 0.000 0.747) 1.451 9.135 ( 0.641 0.000 -0.990) 1.180 9.209 ( -0.739 0.000 0.541) 0.915 9.218 ( -0.905 0.000 -0.355) 0.972 9.470 ( 11.411 0.000 0.347) 11.416 9.617 ( 7.333 0.000 -12.266) 14.291 9.646 ( -0.319 0.000 5.359) 5.369 9.805 ( -1.448 0.000 -9.540) 9.649 10.587 ( -8.233 0.000 2.579) 8.627 10.665 ( -9.801 0.000 -4.790) 10.909 11.908 ( 6.810 0.000 5.729) 8.900 12.023 ( 1.795 0.000 -5.619) 5.898 17.274 ( 0.821 0.000 0.292) 0.871 17.280 ( 0.651 0.000 -0.319) 0.725 17.306 ( -0.726 0.000 0.100) 0.733 17.308 ( -0.734 0.000 -0.071) 0.738 17.358 ( -1.248 0.000 0.942) 1.564 17.376 ( -1.695 0.000 -0.722) 1.842 17.845 ( 1.838 0.000 0.182) 1.847 17.882 ( -0.268 0.000 -3.175) 3.186 23.078 ( -11.425 0.000 12.702) 17.085 23.170 ( -15.998 0.000 4.247) 16.552 23.436 ( -0.070 0.000 0.288) 0.296 23.442 ( -0.367 0.000 -0.288) 0.466 25.437 ( -0.043 0.000 -0.028) 0.052 25.456 ( -1.040 0.000 -1.702) 1.995 25.681 ( 0.131 0.000 0.029) 0.134 25.682 ( 0.100 0.000 -0.030) 0.104 26.138 ( 2.264 0.000 2.675) 3.504 26.183 ( -0.057 0.000 -1.488) 1.489 28.536 ( 12.104 0.000 -3.117) 12.498 28.613 ( 6.422 0.000 -9.295) 11.298 31.805 ( -1.502 0.000 -1.009) 1.809 31.808 ( -1.614 0.000 -1.271) 2.054 32.148 ( 3.190 0.000 2.957) 4.350 32.159 ( 2.631 0.000 1.999) 3.304 51.901 ( 4.368 0.000 11.169) 11.993 52.052 ( -2.452 0.000 -2.115) 3.238 53.315 ( -4.858 0.000 3.718) 6.117 53.420 ( -8.072 0.000 -6.080) 10.106 ======================= Grid point 213 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -3.052 0.000 1.499) 3.400 1.630 ( 3.052 0.000 1.499) 3.400 1.957 ( -18.466 0.000 12.087) 22.071 1.957 ( 18.466 0.000 12.087) 22.071 2.303 ( -10.263 0.000 -19.852) 22.348 2.303 ( 10.263 0.000 -19.852) 22.348 2.961 ( -2.032 0.000 -0.699) 2.149 2.961 ( 2.032 0.000 -0.699) 2.149 4.286 ( -0.831 0.000 0.148) 0.844 4.286 ( 0.831 0.000 0.148) 0.844 4.460 ( -15.262 0.000 15.503) 21.755 4.460 ( 15.262 0.000 15.503) 21.755 4.650 ( -13.003 0.000 -2.624) 13.266 4.650 ( 13.003 0.000 -2.624) 13.266 4.774 ( -1.269 0.000 -0.252) 1.294 4.774 ( 1.269 0.000 -0.252) 1.294 5.242 ( -6.465 0.000 22.299) 23.217 5.242 ( 6.465 0.000 22.299) 23.217 5.854 ( -21.353 0.000 -22.067) 30.707 5.854 ( 21.353 0.000 -22.067) 30.707 6.703 ( -3.557 0.000 2.551) 4.377 6.703 ( 3.557 0.000 2.551) 4.377 7.018 ( -1.295 0.000 1.310) 1.842 7.018 ( 1.295 0.000 1.310) 1.842 7.055 ( -0.926 0.000 -1.242) 1.549 7.055 ( 0.926 0.000 -1.242) 1.549 7.260 ( -3.933 0.000 -6.259) 7.392 7.260 ( 3.933 0.000 -6.259) 7.392 8.188 ( -0.417 0.000 1.182) 1.254 8.188 ( 0.417 0.000 1.182) 1.254 8.955 ( -1.835 0.000 5.740) 6.027 8.955 ( 1.835 0.000 5.740) 6.027 9.136 ( -0.621 0.000 -0.003) 0.621 9.136 ( 0.621 0.000 -0.003) 0.621 9.205 ( -0.371 0.000 -0.025) 0.372 9.205 ( 0.371 0.000 -0.025) 0.372 9.589 ( -3.563 0.000 -5.945) 6.931 9.589 ( 3.563 0.000 -5.945) 6.931 9.774 ( -5.893 0.000 -0.962) 5.971 9.774 ( 5.893 0.000 -0.962) 5.971 10.524 ( -3.311 0.000 -2.580) 4.198 10.524 ( 3.311 0.000 -2.580) 4.198 12.007 ( -3.471 0.000 0.555) 3.516 12.007 ( 3.471 0.000 0.555) 3.516 17.289 ( -0.619 0.000 0.092) 0.626 17.289 ( 0.619 0.000 0.092) 0.626 17.295 ( -0.469 0.000 -0.090) 0.478 17.295 ( 0.469 0.000 -0.090) 0.478 17.353 ( -0.595 0.000 -0.125) 0.608 17.353 ( 0.595 0.000 -0.125) 0.608 17.871 ( -0.977 0.000 -1.569) 1.848 17.871 ( 0.977 0.000 -1.569) 1.848 22.995 ( -2.749 0.000 7.872) 8.339 22.995 ( 2.749 0.000 7.872) 8.339 23.437 ( -0.172 0.000 0.001) 0.172 23.437 ( 0.172 0.000 0.001) 0.172 25.442 ( -0.494 0.000 -0.950) 1.071 25.442 ( 0.494 0.000 -0.950) 1.071 25.683 ( -0.018 0.000 -0.001) 0.018 25.683 ( 0.018 0.000 -0.001) 0.018 26.170 ( -1.256 0.000 0.762) 1.469 26.170 ( 1.256 0.000 0.762) 1.469 28.660 ( -1.770 0.000 -5.809) 6.073 28.660 ( 1.770 0.000 -5.809) 6.073 31.793 ( -0.127 0.000 -1.188) 1.195 31.793 ( 0.127 0.000 -1.188) 1.195 32.180 ( -0.314 0.000 2.852) 2.870 32.180 ( 0.314 0.000 2.852) 2.870 51.986 ( -4.500 0.000 6.192) 7.654 51.986 ( 4.500 0.000 6.192) 7.654 53.306 ( -3.550 0.000 -2.928) 4.601 53.306 ( 3.550 0.000 -2.928) 4.601 ======================= Grid point 217 (69/96) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 50.192 10.525) 51.284 1.615 ( 0.000 46.697 -4.887) 46.952 1.682 ( 0.000 12.987 31.046) 33.653 2.311 ( 0.000 5.541 -18.345) 19.163 2.680 ( 0.000 4.699 23.756) 24.217 2.900 ( 0.000 1.665 3.586) 3.954 3.250 ( 0.000 7.159 4.312) 8.357 3.459 ( 0.000 3.748 -2.495) 4.503 3.774 ( 0.000 16.402 -4.379) 16.977 3.821 ( 0.000 13.619 -6.418) 15.055 4.384 ( 0.000 15.223 4.931) 16.001 4.479 ( 0.000 17.223 -4.513) 17.804 4.539 ( 0.000 -0.533 -3.608) 3.647 4.624 ( 0.000 -0.859 -10.431) 10.466 4.836 ( 0.000 19.227 -2.009) 19.331 4.844 ( 0.000 23.298 -3.952) 23.631 5.272 ( 0.000 1.639 15.962) 16.046 5.598 ( 0.000 1.226 -17.568) 17.611 5.736 ( 0.000 -1.708 7.400) 7.595 5.855 ( 0.000 -1.571 -4.336) 4.612 6.900 ( 0.000 -7.266 6.045) 9.452 6.974 ( 0.000 -1.212 -1.484) 1.916 7.194 ( 0.000 11.319 0.370) 11.325 7.207 ( 0.000 10.491 -0.728) 10.517 7.256 ( 0.000 2.267 7.456) 7.793 7.429 ( 0.000 -1.579 -9.150) 9.285 7.689 ( 0.000 8.758 6.560) 10.942 7.779 ( 0.000 6.813 -2.321) 7.198 8.054 ( 0.000 -3.133 0.594) 3.188 8.068 ( 0.000 -1.811 -1.407) 2.294 8.424 ( 0.000 -6.861 21.705) 22.764 8.820 ( 0.000 -5.293 -9.671) 11.025 8.954 ( 0.000 -7.348 1.084) 7.428 9.036 ( 0.000 -4.054 -2.560) 4.795 9.232 ( 0.000 -0.132 3.137) 3.140 9.253 ( 0.000 1.534 0.909) 1.783 9.359 ( 0.000 14.962 -1.883) 15.080 9.398 ( 0.000 13.900 -7.168) 15.640 9.869 ( 0.000 3.310 -1.138) 3.500 9.919 ( 0.000 6.285 -6.330) 8.920 10.753 ( 0.000 -3.285 4.459) 5.539 10.865 ( 0.000 -3.941 -6.598) 7.685 11.612 ( 0.000 -10.269 7.722) 12.848 11.756 ( 0.000 -11.822 -5.945) 13.233 17.270 ( 0.000 1.239 0.185) 1.253 17.278 ( 0.000 1.057 -0.475) 1.158 17.331 ( 0.000 1.107 0.183) 1.122 17.334 ( 0.000 1.138 -0.124) 1.145 17.424 ( 0.000 0.549 0.174) 0.576 17.430 ( 0.000 0.638 -0.333) 0.720 17.739 ( 0.000 -3.637 4.004) 5.409 17.830 ( 0.000 -4.692 -4.794) 6.708 23.005 ( 0.000 -29.482 12.571) 32.050 23.111 ( 0.000 -24.099 3.224) 24.314 23.593 ( 0.000 2.426 13.029) 13.253 24.018 ( 0.000 3.737 -27.393) 27.647 25.584 ( 0.000 10.525 -0.471) 10.535 25.588 ( 0.000 8.802 -0.773) 8.836 25.888 ( 0.000 17.367 1.606) 17.441 25.917 ( 0.000 15.817 -1.111) 15.856 26.114 ( 0.000 10.098 0.544) 10.113 26.148 ( 0.000 2.958 -2.462) 3.849 27.901 ( 0.000 -8.722 17.449) 19.508 28.267 ( 0.000 -10.892 -17.713) 20.794 31.888 ( 0.000 -1.161 1.625) 1.997 31.922 ( 0.000 -1.344 -1.639) 2.119 31.966 ( 0.000 -2.068 1.321) 2.454 31.980 ( 0.000 -2.261 -0.004) 2.261 51.785 ( 0.000 -2.681 12.798) 13.076 52.038 ( 0.000 -3.595 -11.417) 11.970 53.286 ( 0.000 -25.691 13.020) 28.801 53.470 ( 0.000 -15.769 -6.569) 17.082 ======================= Grid point 218 (70/96) ======================= q-point: ( 0.17 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 6.529 36.650 16.889) 40.879 1.652 ( 4.454 25.083 20.503) 32.701 1.743 ( 10.124 38.741 -1.138) 40.058 2.247 ( -4.898 7.991 -19.415) 21.559 2.606 ( -8.449 3.583 6.466) 11.226 2.806 ( -12.799 0.679 -8.335) 15.289 3.386 ( 17.102 6.800 22.866) 29.352 3.493 ( -3.397 10.923 6.645) 13.229 3.669 ( -11.709 16.092 -1.208) 19.938 3.906 ( 16.210 6.600 -10.591) 20.457 4.456 ( 5.616 16.333 3.581) 17.639 4.493 ( 1.665 16.078 -1.617) 16.245 4.581 ( 3.420 1.981 -2.411) 4.629 4.672 ( 4.846 2.592 -7.649) 9.418 4.860 ( 2.830 18.617 -1.677) 18.905 4.870 ( 1.538 19.809 -4.909) 20.466 5.290 ( 1.689 1.688 9.542) 9.836 5.473 ( -6.025 1.832 -7.194) 9.562 5.842 ( -2.998 -1.966 5.155) 6.279 5.936 ( 13.956 -4.613 -5.450) 15.677 6.719 ( -15.509 -9.194 5.713) 18.913 6.867 ( -15.718 -5.193 -7.916) 18.349 7.149 ( -4.031 5.192 7.164) 9.722 7.198 ( -0.570 12.312 -0.137) 12.326 7.211 ( -0.666 11.503 0.970) 11.563 7.325 ( -5.506 10.167 -7.621) 13.848 7.617 ( -6.712 5.133 3.361) 9.094 7.657 ( -10.545 7.507 0.056) 12.945 8.125 ( 3.888 -3.763 2.811) 6.098 8.166 ( 3.263 -3.100 -0.498) 4.528 8.521 ( 12.491 -5.708 17.118) 21.946 8.822 ( 0.838 -4.968 -9.035) 10.345 9.034 ( 6.592 -6.231 1.353) 9.171 9.070 ( 2.681 -3.970 -1.548) 5.035 9.221 ( -1.043 -0.201 2.371) 2.598 9.236 ( -1.511 1.273 0.604) 2.066 9.417 ( 6.327 13.889 -0.608) 15.275 9.495 ( 9.526 10.317 -7.943) 16.133 9.801 ( -5.550 5.858 0.321) 8.076 9.900 ( -2.481 4.818 -8.466) 10.052 10.700 ( -5.748 -3.032 3.937) 7.598 10.799 ( -6.882 -3.229 -5.650) 9.472 11.659 ( 4.660 -11.681 7.350) 14.566 11.799 ( 3.702 -13.669 -6.223) 15.469 17.275 ( 0.481 1.237 0.135) 1.334 17.281 ( 0.364 1.046 -0.418) 1.184 17.327 ( -0.422 1.092 0.162) 1.182 17.330 ( -0.452 1.134 -0.103) 1.225 17.403 ( -2.008 0.878 0.692) 2.298 17.414 ( -1.379 0.687 -0.348) 1.579 17.762 ( 2.070 -3.759 2.466) 4.949 17.832 ( 0.181 -4.588 -4.149) 6.189 22.948 ( -5.762 -26.858 13.542) 30.626 23.058 ( -5.709 -23.162 3.416) 24.098 23.558 ( -2.896 4.022 8.644) 9.964 23.853 ( -14.122 9.265 -18.476) 25.032 25.556 ( -2.198 10.343 0.283) 10.578 25.570 ( -1.650 8.798 -1.079) 9.016 25.860 ( -2.115 15.550 1.071) 15.729 25.871 ( -2.958 15.518 0.102) 15.797 26.125 ( 1.776 5.331 2.776) 6.268 26.182 ( 1.397 2.748 -2.647) 4.064 28.113 ( 18.015 -10.870 6.625) 22.059 28.344 ( 7.261 -11.739 -13.999) 19.660 31.839 ( -2.987 -0.822 -0.114) 3.100 31.850 ( -3.910 -1.021 -1.128) 4.196 32.042 ( 4.982 -2.407 2.006) 5.885 32.056 ( 5.008 -2.722 0.837) 5.761 51.807 ( 2.342 -2.856 12.499) 13.033 52.036 ( -0.410 -3.773 -8.909) 9.683 53.223 ( -5.444 -21.735 11.968) 25.402 53.412 ( -5.833 -14.824 -7.316) 17.530 ======================= Grid point 219 (71/96) ======================= q-point: ( 0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 12.698 13.229 21.329) 28.128 1.862 ( 14.863 31.530 10.154) 36.306 1.967 ( 11.744 37.846 -4.677) 39.902 2.200 ( 0.254 10.701 -15.689) 18.992 2.358 ( -17.068 2.263 -0.737) 17.233 2.546 ( -14.281 2.780 -13.759) 20.024 3.270 ( -11.653 14.823 4.323) 19.345 3.357 ( -14.359 16.028 -3.877) 21.866 3.970 ( 30.209 6.361 23.726) 38.936 4.217 ( 14.148 1.320 -1.213) 14.261 4.518 ( 0.474 15.952 2.911) 16.223 4.570 ( 7.212 18.484 3.886) 20.218 4.647 ( 2.221 2.511 -2.814) 4.377 4.737 ( 1.367 5.336 -5.252) 7.610 4.896 ( 2.222 17.030 0.837) 17.195 4.918 ( 2.538 15.949 -1.541) 16.223 5.270 ( -3.756 1.306 7.368) 8.372 5.497 ( 5.212 5.562 -12.649) 14.768 5.653 ( -13.983 -1.500 23.954) 27.777 6.112 ( -1.139 -6.666 -16.350) 17.693 6.518 ( -5.700 -10.945 -1.300) 12.408 6.542 ( -9.222 -4.511 -4.291) 11.126 7.103 ( -1.879 1.887 2.573) 3.703 7.169 ( -3.262 9.196 -2.169) 9.996 7.221 ( 2.312 14.512 1.213) 14.745 7.288 ( 1.019 12.573 -5.886) 13.920 7.457 ( -10.123 10.963 1.585) 15.006 7.474 ( -7.888 11.916 -0.514) 14.299 8.152 ( -0.091 -3.711 2.401) 4.421 8.170 ( -1.305 -3.633 1.547) 4.159 8.769 ( 11.043 -6.567 7.696) 14.977 8.866 ( 3.155 -5.200 -0.356) 6.092 9.116 ( 2.553 -3.255 0.443) 4.160 9.133 ( 3.662 -2.851 -0.643) 4.685 9.197 ( -1.493 -0.589 1.289) 2.058 9.207 ( -1.541 1.201 0.275) 1.973 9.564 ( 7.428 9.643 -0.803) 12.199 9.675 ( 5.655 6.147 -9.981) 13.015 9.719 ( -0.007 6.975 4.189) 8.136 9.864 ( 0.244 6.000 -9.187) 10.975 10.560 ( -8.079 -2.477 2.582) 8.836 10.638 ( -9.671 -2.451 -4.850) 11.093 11.758 ( 5.435 -14.276 5.229) 16.146 11.852 ( 1.303 -15.923 -3.914) 16.448 17.287 ( 0.762 1.178 0.065) 1.405 17.291 ( 0.678 1.046 -0.302) 1.283 17.316 ( -0.771 1.063 0.182) 1.326 17.319 ( -0.682 1.160 -0.128) 1.352 17.371 ( -1.165 1.200 0.785) 1.848 17.385 ( -1.534 0.936 -0.585) 1.890 17.800 ( 1.796 -3.944 0.348) 4.347 17.834 ( -0.134 -4.361 -2.757) 5.161 22.837 ( -4.800 -19.834 12.374) 23.865 22.922 ( -7.998 -19.183 4.333) 21.231 23.520 ( -0.847 5.364 2.212) 5.864 23.632 ( -8.588 10.660 -7.729) 15.720 25.527 ( -0.855 8.996 0.217) 9.040 25.540 ( -1.385 8.410 -1.117) 8.596 25.832 ( -0.812 13.763 0.790) 13.810 25.836 ( -1.047 13.769 0.380) 13.814 26.157 ( 1.476 2.701 2.104) 3.729 26.190 ( -0.288 1.187 -0.949) 1.547 28.401 ( 11.405 -13.182 -2.205) 17.570 28.476 ( 5.724 -13.241 -8.405) 16.695 31.799 ( -1.504 -0.637 -1.017) 1.924 31.801 ( -1.508 -0.729 -1.169) 2.043 32.119 ( 3.077 -2.786 2.734) 4.971 32.128 ( 2.643 -2.971 1.976) 4.440 51.867 ( 4.072 -3.309 10.788) 11.997 52.012 ( -2.495 -4.008 -1.744) 5.033 53.147 ( -1.766 -15.710 5.582) 16.766 53.284 ( -7.320 -13.184 -7.194) 16.708 ======================= Grid point 220 (72/96) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -18.802 7.405 12.721) 23.878 1.975 ( 18.802 7.405 12.721) 23.878 2.072 ( -3.990 33.671 2.121) 33.973 2.072 ( 3.990 33.671 2.121) 33.973 2.313 ( -9.559 4.330 -18.996) 21.702 2.313 ( 9.559 4.330 -18.996) 21.702 3.171 ( -3.176 17.288 -1.059) 17.609 3.171 ( 3.176 17.288 -1.059) 17.609 4.345 ( -3.695 4.942 5.436) 8.224 4.345 ( 3.695 4.942 5.436) 8.224 4.564 ( -7.449 7.704 5.123) 11.878 4.564 ( 7.449 7.704 5.123) 11.878 4.727 ( -6.613 10.665 -0.924) 12.583 4.727 ( 6.613 10.665 -0.924) 12.583 4.933 ( -0.949 14.965 0.007) 14.995 4.933 ( 0.949 14.965 0.007) 14.995 5.275 ( -9.019 4.360 23.948) 25.959 5.275 ( 9.019 4.360 23.948) 25.959 5.842 ( -19.751 -0.324 -21.105) 28.907 5.842 ( 19.751 -0.324 -21.105) 28.907 6.512 ( -1.670 -11.032 0.123) 11.158 6.512 ( 1.670 -11.032 0.123) 11.158 7.102 ( -2.549 2.659 -2.615) 4.517 7.102 ( 2.549 2.659 -2.615) 4.517 7.291 ( -4.624 8.944 -0.728) 10.095 7.291 ( 4.624 8.944 -0.728) 10.095 7.360 ( -3.537 20.835 -1.509) 21.187 7.360 ( 3.537 20.835 -1.509) 21.187 8.151 ( -0.396 -3.583 1.541) 3.921 8.151 ( 0.396 -3.583 1.541) 3.921 8.886 ( -2.126 -6.444 4.297) 8.032 8.886 ( 2.126 -6.444 4.297) 8.032 9.160 ( -1.968 -3.268 1.035) 3.953 9.160 ( 1.968 -3.268 1.035) 3.953 9.182 ( -1.290 1.573 -0.335) 2.061 9.182 ( 1.290 1.573 -0.335) 2.061 9.641 ( -2.908 6.276 -5.391) 8.770 9.641 ( 2.908 6.276 -5.391) 8.770 9.849 ( -5.600 7.080 -1.191) 9.105 9.849 ( 5.600 7.080 -1.191) 9.105 10.498 ( -3.325 -2.414 -2.528) 4.825 10.498 ( 3.325 -2.414 -2.528) 4.825 11.837 ( -2.813 -16.029 0.927) 16.300 11.837 ( 2.813 -16.029 0.927) 16.300 17.301 ( -0.642 0.874 0.107) 1.090 17.301 ( 0.642 0.874 0.107) 1.090 17.306 ( -0.668 1.344 -0.194) 1.513 17.306 ( 0.668 1.344 -0.194) 1.513 17.365 ( -0.489 1.173 -0.061) 1.272 17.365 ( 0.489 1.173 -0.061) 1.272 17.825 ( -0.887 -4.132 -1.263) 4.411 17.825 ( 0.887 -4.132 -1.263) 4.411 22.814 ( -2.695 -16.426 7.829) 18.394 22.814 ( 2.695 -16.426 7.829) 18.394 23.534 ( -2.629 7.242 -2.230) 8.021 23.534 ( 2.629 7.242 -2.230) 8.021 25.523 ( -0.424 8.233 -0.531) 8.261 25.523 ( 0.424 8.233 -0.531) 8.261 25.826 ( -0.119 13.229 0.536) 13.241 25.826 ( 0.119 13.229 0.536) 13.241 26.178 ( -0.892 1.302 0.621) 1.696 26.178 ( 0.892 1.302 0.621) 1.696 28.518 ( -1.698 -13.814 -5.086) 14.818 28.518 ( 1.698 -13.814 -5.086) 14.818 31.786 ( -0.106 -0.651 -1.147) 1.323 31.786 ( 0.106 -0.651 -1.147) 1.323 32.150 ( -0.250 -2.926 2.691) 3.983 32.150 ( 0.250 -2.926 2.691) 3.983 51.947 ( -4.270 -3.817 6.116) 8.379 51.947 ( 4.270 -3.817 6.116) 8.379 53.172 ( -4.242 -12.926 -2.826) 13.894 53.172 ( 4.242 -12.926 -2.826) 13.894 ======================= Grid point 224 (73/96) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 21.708 23.375) 31.900 2.152 ( 0.000 19.514 25.522) 32.128 2.552 ( 0.000 41.215 -6.484) 41.722 2.560 ( 0.000 17.131 -23.844) 29.360 2.965 ( 0.000 5.575 -2.711) 6.199 2.986 ( 0.000 26.516 -0.673) 26.525 3.551 ( 0.000 27.443 16.300) 31.919 3.702 ( 0.000 21.845 3.657) 22.149 4.137 ( 0.000 16.892 -0.999) 16.922 4.147 ( 0.000 19.184 3.098) 19.433 4.545 ( 0.000 3.118 -12.015) 12.413 4.561 ( 0.000 -2.491 -10.989) 11.268 4.726 ( 0.000 17.043 5.372) 17.870 4.857 ( 0.000 16.220 -7.075) 17.696 5.311 ( 0.000 9.308 14.116) 16.908 5.393 ( 0.000 26.378 3.521) 26.612 5.434 ( 0.000 32.589 -3.459) 32.772 5.646 ( 0.000 4.328 -17.379) 17.910 5.762 ( 0.000 6.704 5.979) 8.982 5.859 ( 0.000 3.903 -3.756) 5.417 6.779 ( 0.000 -4.716 9.663) 10.753 6.932 ( 0.000 -2.311 -4.394) 4.964 7.195 ( 0.000 -6.416 7.315) 9.730 7.330 ( 0.000 -5.473 -6.767) 8.703 7.470 ( 0.000 14.078 -0.583) 14.090 7.475 ( 0.000 12.723 -1.529) 12.814 7.956 ( 0.000 15.647 2.614) 15.864 7.975 ( 0.000 3.154 1.525) 3.503 8.012 ( 0.000 8.287 0.576) 8.307 8.033 ( 0.000 -0.394 -1.856) 1.897 8.291 ( 0.000 -5.963 18.890) 19.809 8.680 ( 0.000 -8.410 -16.475) 18.497 8.829 ( 0.000 -5.386 6.875) 8.734 8.946 ( 0.000 -4.883 -3.576) 6.052 9.173 ( 0.000 -5.860 4.264) 7.247 9.225 ( 0.000 -4.883 -0.279) 4.891 9.675 ( 0.000 16.131 -0.996) 16.162 9.689 ( 0.000 14.316 -2.918) 14.611 9.989 ( 0.000 8.990 -0.063) 8.990 10.063 ( 0.000 7.036 -6.796) 9.782 10.653 ( 0.000 -6.935 3.765) 7.891 10.750 ( 0.000 -7.796 -5.876) 9.762 11.369 ( 0.000 -12.811 7.641) 14.917 11.514 ( 0.000 -10.946 -6.589) 12.776 17.301 ( 0.000 1.784 -0.073) 1.786 17.306 ( 0.000 1.762 -0.515) 1.836 17.363 ( 0.000 2.082 0.281) 2.101 17.368 ( 0.000 2.215 -0.216) 2.225 17.440 ( 0.000 1.020 0.247) 1.049 17.447 ( 0.000 1.132 -0.466) 1.225 17.670 ( 0.000 -3.041 2.158) 3.729 17.725 ( 0.000 -5.409 -3.065) 6.217 22.459 ( 0.000 -24.859 13.534) 28.304 22.599 ( 0.000 -25.876 0.520) 25.881 23.569 ( 0.000 -5.093 11.170) 12.276 23.949 ( 0.000 -9.400 -25.179) 26.877 25.782 ( 0.000 6.420 -0.578) 6.446 25.782 ( 0.000 7.913 -0.464) 7.926 26.105 ( 0.000 10.631 1.460) 10.731 26.137 ( 0.000 9.482 -1.838) 9.659 26.397 ( 0.000 20.782 5.875) 21.597 26.529 ( 0.000 23.966 -7.307) 25.055 27.659 ( 0.000 -15.231 14.827) 21.256 27.970 ( 0.000 -18.522 -14.972) 23.817 31.858 ( 0.000 -1.751 1.383) 2.231 31.887 ( 0.000 -2.011 -1.470) 2.491 31.917 ( 0.000 -2.603 1.100) 2.826 31.931 ( 0.000 -2.408 -0.265) 2.423 51.712 ( 0.000 -4.517 11.394) 12.257 51.939 ( 0.000 -6.191 -10.330) 12.043 52.742 ( 0.000 -26.890 21.876) 34.665 53.074 ( 0.000 -22.927 -11.900) 25.831 ======================= Grid point 225 (74/96) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -2.892 22.688 24.277) 33.354 2.191 ( 4.063 17.849 23.499) 29.787 2.503 ( -3.777 17.868 -21.959) 28.561 2.628 ( 5.630 35.768 -11.466) 37.980 2.889 ( -7.296 9.382 -3.372) 12.354 2.927 ( -5.217 30.384 -3.194) 30.994 3.688 ( 10.147 25.540 13.901) 30.798 3.727 ( -1.783 14.322 5.074) 15.299 4.047 ( -3.234 20.770 4.456) 21.488 4.169 ( 5.283 17.696 -0.131) 18.468 4.583 ( 3.559 4.494 -4.719) 7.424 4.608 ( 3.885 -0.884 -8.115) 9.040 4.849 ( 10.301 17.685 1.948) 20.558 4.924 ( 6.686 16.722 -4.518) 18.567 5.307 ( -1.495 8.782 10.155) 13.509 5.364 ( -2.154 27.618 1.343) 27.735 5.438 ( -1.004 23.369 -0.948) 23.409 5.568 ( -2.075 11.076 -9.661) 14.843 5.857 ( -0.146 6.373 -0.190) 6.378 5.884 ( 7.745 1.201 -3.012) 8.397 6.593 ( -15.437 -3.030 9.275) 18.263 6.806 ( -14.169 -0.924 -10.451) 17.630 7.143 ( -3.329 -4.238 9.780) 11.167 7.323 ( -3.495 -6.300 -7.835) 10.644 7.475 ( 1.461 14.444 0.895) 14.545 7.499 ( 2.139 15.591 -1.318) 15.792 7.861 ( -4.753 13.219 2.117) 14.206 7.893 ( -5.621 11.596 -1.063) 12.931 8.061 ( 2.605 0.473 4.006) 4.802 8.115 ( 1.373 0.964 -0.321) 1.709 8.391 ( 11.160 -6.752 14.783) 19.715 8.696 ( 1.693 -7.495 -12.196) 14.414 8.900 ( 6.298 -6.898 3.559) 9.996 8.972 ( 2.530 -5.475 -2.588) 6.563 9.159 ( -1.186 -5.779 4.169) 7.224 9.215 ( -0.951 -4.612 -0.741) 4.767 9.722 ( 5.165 15.665 -0.689) 16.509 9.740 ( 5.148 13.093 -2.718) 14.329 9.958 ( -3.044 10.277 -0.714) 10.742 10.035 ( -2.459 7.535 -7.227) 10.727 10.614 ( -4.284 -5.566 3.664) 7.922 10.710 ( -4.574 -5.833 -5.782) 9.401 11.377 ( 0.967 -15.236 7.041) 16.812 11.505 ( -0.955 -14.086 -5.575) 15.179 17.305 ( 0.454 1.774 -0.098) 1.834 17.309 ( 0.361 1.775 -0.453) 1.867 17.359 ( -0.446 2.049 0.254) 2.113 17.364 ( -0.457 2.221 -0.239) 2.280 17.426 ( -1.412 1.359 0.379) 1.996 17.433 ( -1.181 1.257 -0.246) 1.743 17.688 ( 1.615 -3.396 1.296) 3.977 17.729 ( 0.413 -5.294 -2.595) 5.910 22.442 ( -1.605 -23.593 12.730) 26.856 22.568 ( -3.206 -24.848 1.018) 25.074 23.563 ( -0.459 -3.989 8.625) 9.513 23.872 ( -7.453 -6.327 -20.771) 22.957 25.763 ( -1.741 7.462 -0.326) 7.670 25.767 ( -1.508 8.187 -0.631) 8.348 26.106 ( 0.161 11.358 1.811) 11.503 26.141 ( 0.399 11.444 -1.584) 11.560 26.361 ( -3.562 18.091 4.134) 18.896 26.427 ( -7.886 20.626 -1.893) 22.163 27.825 ( 13.999 -17.510 6.848) 23.441 28.028 ( 5.423 -19.500 -11.795) 23.426 31.819 ( -2.498 -1.172 -0.198) 2.766 31.826 ( -3.263 -1.327 -0.873) 3.629 31.984 ( 4.112 -3.163 1.364) 5.364 31.991 ( 4.258 -3.510 0.811) 5.578 51.729 ( 1.842 -4.812 11.144) 12.278 51.933 ( -0.839 -6.481 -7.611) 10.032 52.742 ( 0.342 -24.756 17.506) 30.322 53.035 ( -3.923 -21.982 -11.385) 25.065 ======================= Grid point 226 (75/96) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.604 20.433 20.192) 29.268 2.273 ( 2.275 13.143 19.514) 23.637 2.418 ( -4.069 12.839 -20.185) 24.266 2.640 ( -7.501 14.741 -16.077) 23.066 2.832 ( 3.111 33.975 0.944) 34.130 2.877 ( 2.269 42.320 -3.328) 42.512 3.568 ( -9.987 13.658 5.574) 17.815 3.676 ( -10.100 16.170 -3.621) 19.406 4.261 ( 20.276 21.937 11.144) 31.883 4.344 ( 11.104 11.396 2.211) 16.064 4.661 ( 1.632 3.741 0.270) 4.090 4.681 ( 6.222 3.852 -0.957) 7.380 4.997 ( 4.430 18.814 0.977) 19.353 5.029 ( 1.543 18.043 -1.476) 18.169 5.262 ( -0.525 11.909 7.062) 13.855 5.332 ( -1.456 21.021 -1.169) 21.103 5.401 ( -0.676 19.340 7.210) 20.651 5.621 ( 1.877 4.992 -0.569) 5.364 5.791 ( -3.750 21.307 1.888) 21.717 6.006 ( 2.839 -1.573 -9.620) 10.152 6.361 ( -6.778 -4.350 3.602) 8.823 6.520 ( -13.950 2.848 -10.604) 17.753 7.079 ( -2.876 -3.319 3.249) 5.462 7.203 ( -8.189 -5.065 -8.139) 12.608 7.519 ( 2.640 15.596 1.402) 15.879 7.538 ( 1.764 16.600 -0.539) 16.702 7.796 ( -2.430 15.084 0.772) 15.298 7.809 ( -3.307 13.971 -0.439) 14.364 8.083 ( 0.215 0.040 3.631) 3.638 8.105 ( -1.315 0.573 2.375) 2.775 8.606 ( 9.968 -9.320 6.485) 15.109 8.730 ( 1.410 -8.164 -3.981) 9.192 8.997 ( 3.482 -7.709 1.454) 8.583 9.031 ( 3.202 -6.498 -0.719) 7.280 9.144 ( 0.005 -5.125 2.547) 5.723 9.194 ( -1.303 -4.184 -1.381) 4.595 9.822 ( 3.113 13.828 -1.006) 14.209 9.867 ( 7.452 11.554 -3.003) 14.072 9.899 ( -1.607 11.738 0.679) 11.867 10.015 ( 1.608 8.531 -8.064) 11.849 10.505 ( -6.634 -2.444 2.551) 7.516 10.586 ( -8.364 -2.285 -5.244) 10.132 11.405 ( 2.043 -19.728 4.805) 20.407 11.480 ( -1.648 -19.549 -2.628) 19.793 17.316 ( 0.620 1.734 -0.039) 1.842 17.319 ( 0.638 1.777 -0.358) 1.922 17.348 ( -0.660 2.062 0.177) 2.173 17.353 ( -0.677 2.166 -0.255) 2.284 17.402 ( -0.937 1.812 0.520) 2.105 17.410 ( -1.165 1.577 -0.317) 1.986 17.717 ( 1.353 -4.021 0.106) 4.244 17.736 ( 0.210 -4.996 -1.667) 5.271 22.417 ( -0.652 -21.252 10.063) 23.523 22.495 ( -4.266 -22.380 2.831) 22.958 23.566 ( 1.118 -2.019 2.834) 3.655 23.724 ( -7.626 -2.067 -12.016) 14.381 25.732 ( -1.317 8.712 -0.145) 8.812 25.738 ( -1.450 8.903 -0.679) 9.046 26.115 ( 0.854 13.506 2.483) 13.759 26.148 ( 0.059 15.971 -0.172) 15.973 26.288 ( -3.283 11.379 2.181) 12.042 26.319 ( -3.910 14.859 -0.440) 15.371 28.053 ( 9.372 -20.903 -0.427) 22.912 28.126 ( 4.149 -21.307 -6.806) 22.750 31.783 ( -1.416 -0.905 -0.902) 1.908 31.784 ( -1.302 -0.835 -1.003) 1.844 32.049 ( 2.674 -3.963 2.142) 5.238 32.055 ( 2.431 -4.132 1.675) 5.078 51.778 ( 3.291 -5.568 9.705) 11.663 51.902 ( -2.547 -6.793 -0.810) 7.300 52.768 ( 2.690 -21.105 7.113) 22.434 52.943 ( -5.722 -20.184 -8.929) 22.801 ======================= Grid point 227 (76/96) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -11.326 13.793 12.942) 22.046 2.150 ( 11.326 13.793 12.942) 22.046 2.481 ( -8.068 13.993 -12.157) 20.216 2.481 ( 8.068 13.993 -12.157) 20.216 2.904 ( -2.987 41.678 -0.396) 41.787 2.904 ( 2.987 41.678 -0.396) 41.787 3.504 ( -5.057 14.574 -1.393) 15.489 3.504 ( 5.057 14.574 -1.393) 15.489 4.480 ( -2.116 8.600 3.934) 9.691 4.480 ( 2.116 8.600 3.934) 9.691 4.720 ( -4.555 9.906 -0.537) 10.916 4.720 ( 4.555 9.906 -0.537) 10.916 5.006 ( -0.316 13.838 1.168) 13.890 5.006 ( 0.316 13.838 1.168) 13.890 5.316 ( -2.455 21.636 1.776) 21.847 5.316 ( 2.455 21.636 1.776) 21.847 5.459 ( -9.738 13.241 21.409) 26.991 5.459 ( 9.738 13.241 21.409) 26.991 5.917 ( -10.686 11.179 -15.841) 22.138 5.917 ( 10.686 11.179 -15.841) 22.138 6.357 ( -4.479 -3.688 -3.807) 6.940 6.357 ( 4.479 -3.688 -3.807) 6.940 7.080 ( -3.788 -3.591 -4.505) 6.894 7.080 ( 3.788 -3.591 -4.505) 6.894 7.552 ( -0.536 16.419 0.530) 16.436 7.552 ( 0.536 16.419 0.530) 16.436 7.775 ( -0.321 15.138 -0.098) 15.142 7.775 ( 0.321 15.138 -0.098) 15.142 8.087 ( -0.488 0.764 2.799) 2.942 8.087 ( 0.488 0.764 2.799) 2.942 8.723 ( -2.887 -9.602 1.571) 10.149 8.723 ( 2.887 -9.602 1.571) 10.149 9.044 ( -1.576 -7.506 1.759) 7.869 9.044 ( 1.576 -7.506 1.759) 7.869 9.166 ( -1.806 -4.221 -0.952) 4.689 9.166 ( 1.806 -4.221 -0.952) 4.689 9.848 ( -1.435 12.923 -2.702) 13.281 9.848 ( 1.435 12.923 -2.702) 13.281 10.022 ( -4.579 9.514 -1.834) 10.716 10.022 ( 4.579 9.514 -1.834) 10.716 10.454 ( -3.420 -0.766 -2.570) 4.346 10.454 ( 3.420 -0.766 -2.570) 4.346 11.445 ( -2.145 -21.821 1.272) 21.963 11.445 ( 2.145 -21.821 1.272) 21.963 17.325 ( -0.256 1.675 0.004) 1.694 17.325 ( 0.256 1.675 0.004) 1.694 17.342 ( -0.296 2.164 -0.215) 2.194 17.342 ( 0.296 2.164 -0.215) 2.194 17.396 ( -0.303 1.869 0.043) 1.894 17.396 ( 0.303 1.869 0.043) 1.894 17.734 ( -0.497 -4.568 -0.787) 4.662 17.734 ( 0.497 -4.568 -0.787) 4.662 22.431 ( -2.301 -20.582 6.184) 21.614 22.431 ( 2.301 -20.582 6.184) 21.614 23.613 ( -4.248 -0.932 -4.019) 5.922 23.613 ( 4.248 -0.932 -4.019) 5.922 25.721 ( -0.208 9.128 -0.402) 9.139 25.721 ( 0.208 9.128 -0.402) 9.139 26.136 ( -1.225 16.679 2.312) 16.883 26.136 ( 1.225 16.679 2.312) 16.883 26.270 ( -1.238 9.924 -0.392) 10.009 26.270 ( 1.238 9.924 -0.392) 10.009 28.153 ( -1.661 -22.094 -3.581) 22.444 28.153 ( 1.661 -22.094 -3.581) 22.444 31.771 ( -0.090 -0.800 -1.022) 1.301 31.771 ( 0.090 -0.800 -1.022) 1.301 32.076 ( -0.160 -4.255 2.196) 4.791 32.076 ( 0.160 -4.255 2.196) 4.791 51.844 ( -3.653 -6.414 5.838) 9.411 51.844 ( 3.653 -6.414 5.838) 9.411 52.841 ( -5.082 -19.446 -2.894) 20.306 52.841 ( 5.082 -19.446 -2.894) 20.306 ======================= Grid point 231 (77/96) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.000 15.742 24.453) 29.082 2.498 ( 0.000 26.813 11.938) 29.351 2.899 ( 0.000 18.189 -13.292) 22.528 3.055 ( 0.000 11.057 -19.484) 22.403 3.251 ( 0.000 24.074 10.982) 26.461 3.441 ( 0.000 19.027 -6.855) 20.225 4.201 ( 0.000 19.586 7.889) 21.116 4.311 ( 0.000 33.469 4.500) 33.770 4.419 ( 0.000 10.645 3.357) 11.162 4.431 ( 0.000 10.754 6.000) 12.315 4.585 ( 0.000 16.144 -7.186) 17.671 4.808 ( 0.000 25.299 -15.617) 29.731 4.993 ( 0.000 9.598 4.386) 10.552 5.093 ( 0.000 8.100 -3.854) 8.970 5.415 ( 0.000 4.123 15.499) 16.038 5.724 ( 0.000 5.771 -13.347) 14.541 5.823 ( 0.000 14.032 2.335) 14.225 5.875 ( 0.000 9.024 -3.289) 9.605 6.142 ( 0.000 26.242 3.961) 26.539 6.203 ( 0.000 26.655 -3.298) 26.858 6.732 ( 0.000 0.412 10.709) 10.717 6.923 ( 0.000 2.325 -7.141) 7.510 7.093 ( 0.000 -0.012 6.126) 6.126 7.219 ( 0.000 -3.198 -6.924) 7.627 7.634 ( 0.000 1.975 0.850) 2.151 7.673 ( 0.000 4.802 -2.811) 5.565 8.029 ( 0.000 6.631 2.119) 6.961 8.056 ( 0.000 4.803 -1.161) 4.941 8.126 ( 0.000 -3.450 13.888) 14.310 8.273 ( 0.000 12.304 -0.570) 12.317 8.341 ( 0.000 12.713 2.635) 12.983 8.522 ( 0.000 -5.387 -13.729) 14.748 8.761 ( 0.000 -0.374 6.535) 6.546 8.870 ( 0.000 -1.607 -3.519) 3.869 9.017 ( 0.000 -9.221 3.561) 9.885 9.070 ( 0.000 -10.195 -0.850) 10.231 9.903 ( 0.000 6.570 0.773) 6.615 9.940 ( 0.000 8.136 -2.835) 8.616 10.203 ( 0.000 9.433 -0.109) 9.433 10.224 ( 0.000 14.315 -2.955) 14.617 10.489 ( 0.000 -9.134 2.918) 9.588 10.561 ( 0.000 -10.944 -4.241) 11.737 11.156 ( 0.000 -8.298 8.907) 12.173 11.351 ( 0.000 -6.000 -10.377) 11.986 17.340 ( 0.000 2.174 -0.148) 2.179 17.345 ( 0.000 2.160 -0.642) 2.254 17.410 ( 0.000 2.579 0.422) 2.613 17.416 ( 0.000 2.510 -0.179) 2.516 17.463 ( 0.000 1.330 0.339) 1.372 17.473 ( 0.000 1.384 -0.569) 1.497 17.623 ( 0.000 -1.707 -0.109) 1.711 17.631 ( 0.000 -3.950 -0.718) 4.015 22.045 ( 0.000 -16.939 9.098) 19.228 22.145 ( 0.000 -19.416 -0.084) 19.416 23.396 ( 0.000 -12.156 8.667) 14.930 23.686 ( 0.000 -16.575 -19.022) 25.230 25.826 ( 0.000 -0.222 0.517) 0.562 25.845 ( 0.000 -0.241 -1.232) 1.255 26.379 ( 0.000 14.850 1.188) 14.898 26.398 ( 0.000 15.301 -0.895) 15.327 26.798 ( 0.000 18.383 7.419) 19.824 26.948 ( 0.000 18.046 -7.190) 19.426 27.328 ( 0.000 -17.361 11.404) 20.771 27.569 ( 0.000 -21.155 -11.727) 24.188 31.823 ( 0.000 -1.657 1.143) 2.013 31.848 ( 0.000 -1.895 -1.210) 2.248 31.872 ( 0.000 -1.853 1.037) 2.123 31.890 ( 0.000 -1.662 -0.803) 1.846 51.615 ( 0.000 -5.173 9.355) 10.691 51.804 ( 0.000 -7.321 -8.693) 11.365 52.267 ( 0.000 -21.092 20.334) 29.297 52.613 ( 0.000 -22.946 -13.641) 26.695 ======================= Grid point 232 (78/96) ======================= q-point: ( 0.17 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -1.792 26.894 16.032) 31.361 2.503 ( 3.142 16.603 20.979) 26.938 2.830 ( -5.867 18.043 -12.821) 22.899 3.025 ( -3.609 12.435 -18.320) 22.434 3.298 ( 4.677 24.002 7.710) 25.640 3.459 ( 2.351 20.155 -7.141) 21.512 4.066 ( -12.177 15.880 8.174) 21.616 4.240 ( -9.340 19.933 -7.630) 23.298 4.451 ( 5.338 10.122 5.920) 12.884 4.571 ( 13.522 25.378 14.058) 32.008 4.612 ( 2.883 14.199 -7.848) 16.477 4.850 ( 1.836 23.657 -7.727) 24.954 5.097 ( 10.145 6.727 3.684) 12.718 5.175 ( 9.036 8.388 -2.725) 12.627 5.421 ( -0.172 6.210 10.176) 11.922 5.641 ( -6.102 6.624 -9.653) 13.202 5.844 ( 0.548 15.632 0.724) 15.658 5.869 ( -1.126 10.460 -1.929) 10.695 6.126 ( -0.419 21.508 5.212) 22.134 6.237 ( 3.119 25.545 -7.085) 26.692 6.629 ( -9.899 6.966 11.271) 16.539 6.858 ( -6.680 7.059 -10.219) 14.102 7.070 ( -2.202 0.286 5.436) 5.872 7.185 ( -3.995 -5.203 -6.076) 8.941 7.657 ( 2.812 1.634 3.169) 4.541 7.726 ( 4.293 4.506 -3.435) 7.109 7.965 ( -5.882 1.780 4.029) 7.349 7.991 ( -3.836 6.309 0.347) 7.392 8.222 ( 5.867 3.049 6.113) 9.005 8.295 ( 2.706 9.873 -0.735) 10.263 8.350 ( 1.535 10.690 5.532) 12.134 8.554 ( 2.368 -5.073 -11.785) 13.047 8.791 ( 2.904 -2.916 5.347) 6.748 8.883 ( 1.294 -2.358 -3.026) 4.049 9.010 ( -0.540 -8.682 3.512) 9.381 9.065 ( -0.470 -9.871 -1.344) 9.973 9.927 ( 2.491 5.569 1.013) 6.184 9.970 ( 2.966 6.304 -3.053) 7.606 10.190 ( -1.351 11.203 -0.148) 11.285 10.217 ( -0.558 13.495 -3.334) 13.912 10.489 ( 0.104 -6.495 2.964) 7.140 10.566 ( 0.421 -8.528 -4.630) 9.713 11.119 ( -3.679 -9.907 8.236) 13.398 11.292 ( -6.085 -7.403 -8.991) 13.140 17.344 ( 0.438 2.162 -0.109) 2.208 17.349 ( 0.425 2.206 -0.587) 2.322 17.405 ( -0.558 2.482 0.418) 2.578 17.412 ( -0.462 2.549 -0.335) 2.612 17.455 ( -0.880 1.503 0.314) 1.770 17.461 ( -0.966 1.525 -0.285) 1.827 17.634 ( 0.966 -2.082 -0.344) 2.321 17.638 ( 0.659 -3.755 -0.572) 3.855 22.042 ( -0.219 -16.588 8.435) 18.610 22.129 ( -1.568 -18.819 0.403) 18.888 23.403 ( 0.856 -11.804 6.898) 13.699 23.650 ( -3.706 -15.287 -16.552) 22.834 25.821 ( -0.459 0.111 0.464) 0.662 25.838 ( -0.648 0.081 -1.151) 1.323 26.386 ( 0.889 15.294 1.481) 15.391 26.411 ( 1.395 14.972 -1.009) 15.070 26.741 ( -5.576 18.321 5.120) 19.823 26.809 ( -10.480 16.272 -1.024) 19.382 27.466 ( 10.441 -17.284 4.392) 20.665 27.612 ( 3.889 -21.649 -8.942) 23.744 31.796 ( -1.921 -1.033 -0.048) 2.182 31.803 ( -2.433 -0.960 -0.682) 2.703 31.925 ( 3.223 -2.848 0.700) 4.358 31.927 ( 2.894 -2.691 0.503) 3.984 51.626 ( 1.186 -5.496 9.162) 10.749 51.791 ( -1.351 -7.632 -5.696) 9.619 52.292 ( 2.652 -20.501 15.636) 25.919 52.591 ( -2.418 -22.344 -12.593) 25.762 ======================= Grid point 233 (79/96) ======================= q-point: ( 0.33 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 1.466 26.799 14.722) 30.611 2.565 ( 1.387 16.997 20.587) 26.732 2.744 ( -1.450 19.289 -12.692) 23.135 2.931 ( -6.278 16.076 -13.564) 21.951 3.406 ( 6.999 22.079 5.045) 23.705 3.551 ( 8.212 21.671 -8.805) 24.791 3.812 ( -14.300 13.713 8.670) 21.626 4.023 ( -13.743 17.258 -10.896) 24.606 4.559 ( 5.971 8.387 4.168) 11.107 4.656 ( 1.320 7.352 -5.135) 9.065 4.849 ( 12.739 23.262 6.567) 27.322 4.900 ( 5.023 19.174 2.481) 19.975 5.264 ( 5.159 9.377 4.837) 11.745 5.343 ( 4.190 12.572 -1.871) 13.383 5.400 ( 1.675 7.763 9.939) 12.722 5.574 ( -0.477 2.398 -4.893) 5.470 5.832 ( -2.023 16.048 1.058) 16.209 5.852 ( 0.881 21.127 -0.984) 21.168 6.145 ( 2.426 15.496 5.696) 16.688 6.318 ( 5.745 17.918 -11.113) 21.853 6.416 ( -11.816 17.332 10.842) 23.612 6.700 ( -10.325 15.299 -14.141) 23.252 7.024 ( -2.191 0.266 1.614) 2.734 7.086 ( -5.698 -4.372 -4.511) 8.481 7.722 ( 3.665 -0.775 4.533) 5.880 7.795 ( 2.360 0.126 -2.494) 3.436 7.870 ( -3.510 5.383 3.936) 7.536 7.921 ( -3.430 7.550 -1.236) 8.384 8.290 ( 2.305 13.716 3.013) 14.231 8.330 ( 0.302 15.839 0.642) 15.855 8.437 ( 6.777 -6.155 4.658) 10.272 8.576 ( -0.311 -5.835 -6.542) 8.772 8.847 ( 2.807 -6.235 3.658) 7.755 8.905 ( 0.425 -5.296 -0.763) 5.368 9.012 ( 1.056 -7.349 1.330) 7.543 9.055 ( -0.592 -8.893 -2.173) 9.174 9.983 ( 3.114 3.794 1.075) 5.024 10.029 ( 2.424 2.233 -3.137) 4.550 10.166 ( -0.411 12.852 0.204) 12.860 10.209 ( -0.370 9.484 -3.694) 10.184 10.499 ( 1.264 2.649 1.759) 3.422 10.568 ( -0.541 0.747 -4.848) 4.935 11.046 ( -3.201 -15.100 5.819) 16.496 11.154 ( -7.976 -12.136 -5.150) 15.408 17.355 ( 0.679 2.201 0.026) 2.304 17.360 ( 0.667 2.307 -0.450) 2.443 17.392 ( -0.731 2.297 0.281) 2.427 17.399 ( -0.870 2.424 -0.438) 2.613 17.439 ( -0.604 1.893 0.366) 2.020 17.445 ( -0.784 1.810 -0.166) 1.980 17.650 ( 0.635 -3.394 -0.383) 3.474 17.651 ( 0.642 -2.740 -0.543) 2.867 22.042 ( 0.341 -16.054 6.592) 17.358 22.093 ( -2.159 -17.436 1.868) 17.668 23.430 ( 2.217 -11.241 2.297) 11.686 23.567 ( -4.813 -12.881 -10.659) 17.398 25.813 ( -0.273 0.726 0.201) 0.802 25.824 ( -0.765 0.690 -0.839) 1.329 26.414 ( 2.128 15.826 2.140) 16.111 26.446 ( 2.259 14.426 -0.959) 14.633 26.618 ( -6.661 18.847 3.326) 20.264 26.651 ( -6.488 16.416 0.236) 17.654 27.627 ( 6.433 -20.856 -0.145) 21.826 27.679 ( 2.766 -22.789 -4.943) 23.482 31.767 ( -1.098 -0.578 -0.621) 1.387 31.770 ( -1.172 -0.532 -0.853) 1.544 31.973 ( 1.984 -3.542 1.336) 4.274 31.975 ( 1.953 -3.739 1.226) 4.393 51.658 ( 2.265 -6.333 8.083) 10.515 51.755 ( -2.471 -7.833 0.303) 8.219 52.359 ( 4.390 -19.721 5.803) 21.021 52.529 ( -4.124 -21.012 -9.250) 23.326 ======================= Grid point 234 (80/96) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -4.499 22.491 13.514) 26.622 2.517 ( 4.499 22.491 13.514) 26.622 2.809 ( -6.469 18.363 -8.257) 21.147 2.809 ( 6.469 18.363 -8.257) 21.147 3.567 ( -10.796 20.876 6.179) 24.301 3.567 ( 10.796 20.876 6.179) 24.301 3.765 ( -13.360 15.593 -10.427) 23.029 3.765 ( 13.360 15.593 -10.427) 23.029 4.644 ( -2.792 6.849 0.221) 7.400 4.644 ( 2.792 6.849 0.221) 7.400 4.969 ( -2.511 14.739 1.318) 15.010 4.969 ( 2.511 14.739 1.318) 15.010 5.306 ( -4.266 17.452 3.820) 18.368 5.306 ( 4.266 17.452 3.820) 18.368 5.531 ( -6.757 1.662 5.028) 8.585 5.531 ( 6.757 1.662 5.028) 8.585 5.843 ( -2.476 23.396 1.576) 23.579 5.843 ( 2.476 23.396 1.576) 23.579 6.222 ( -6.806 12.867 8.624) 16.919 6.222 ( 6.806 12.867 8.624) 16.919 6.491 ( -11.413 19.122 -16.294) 27.593 6.491 ( 11.413 19.122 -16.294) 27.593 7.014 ( -1.621 -0.665 -2.026) 2.678 7.014 ( 1.621 -0.665 -2.026) 2.678 7.780 ( -2.667 -5.262 3.343) 6.780 7.780 ( 2.667 -5.262 3.343) 6.780 7.870 ( -2.136 11.049 -1.074) 11.305 7.870 ( 2.136 11.049 -1.074) 11.305 8.322 ( -1.115 16.189 2.502) 16.419 8.322 ( 1.115 16.189 2.502) 16.419 8.539 ( -3.833 -7.675 -1.006) 8.637 8.539 ( 3.833 -7.675 -1.006) 8.637 8.890 ( -1.805 -7.124 2.449) 7.746 8.890 ( 1.805 -7.124 2.449) 7.746 9.039 ( -1.356 -7.582 -1.835) 7.918 9.039 ( 1.356 -7.582 -1.835) 7.918 10.030 ( -1.801 3.432 -0.802) 3.958 10.030 ( 1.801 3.432 -0.802) 3.958 10.190 ( -1.948 6.977 -1.525) 7.402 10.190 ( 1.948 6.977 -1.525) 7.402 10.538 ( -2.530 9.756 -2.270) 10.331 10.538 ( 2.530 9.756 -2.270) 10.331 11.041 ( -3.261 -17.836 0.607) 18.141 11.041 ( 3.261 -17.836 0.607) 18.141 17.366 ( -0.319 2.389 0.026) 2.410 17.366 ( 0.319 2.389 0.026) 2.410 17.386 ( -0.374 2.153 -0.257) 2.201 17.386 ( 0.374 2.153 -0.257) 2.201 17.435 ( -0.189 2.037 0.072) 2.047 17.435 ( 0.189 2.037 0.072) 2.047 17.657 ( -0.063 -3.130 -0.448) 3.163 17.657 ( 0.063 -3.130 -0.448) 3.163 22.058 ( -1.487 -16.262 4.129) 16.844 22.058 ( 1.487 -16.262 4.129) 16.844 23.486 ( -3.824 -11.393 -3.885) 12.630 23.486 ( 3.824 -11.393 -3.885) 12.630 25.814 ( -0.328 0.992 -0.308) 1.090 25.814 ( 0.328 0.992 -0.308) 1.090 26.459 ( -2.024 15.042 1.804) 15.284 26.459 ( 2.024 15.042 1.804) 15.284 26.564 ( -2.107 17.859 0.353) 17.986 26.564 ( 2.107 17.859 0.353) 17.986 27.696 ( -1.216 -22.922 -2.418) 23.081 27.696 ( 1.216 -22.922 -2.418) 23.081 31.758 ( -0.096 -0.446 -0.823) 0.941 31.758 ( 0.096 -0.446 -0.823) 0.941 31.993 ( -0.064 -3.947 1.521) 4.230 31.993 ( 0.064 -3.947 1.521) 4.230 51.706 ( -2.805 -7.294 5.267) 9.424 51.706 ( 2.805 -7.294 5.267) 9.424 52.445 ( -4.830 -19.898 -3.163) 20.718 52.445 ( 4.830 -19.898 -3.163) 20.718 ======================= Grid point 238 (81/96) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 17.576 18.479) 25.502 3.015 ( 0.000 23.615 -0.236) 23.616 3.278 ( 0.000 19.700 -6.144) 20.636 3.284 ( 0.000 13.928 -9.373) 16.788 3.704 ( 0.000 22.008 9.063) 23.801 3.789 ( 0.000 16.497 0.041) 16.497 4.345 ( 0.000 2.023 -0.774) 2.166 4.469 ( 0.000 2.811 -11.695) 12.028 4.621 ( 0.000 7.032 2.417) 7.435 4.676 ( 0.000 11.438 -1.997) 11.611 5.041 ( 0.000 -0.272 4.012) 4.021 5.125 ( 0.000 6.745 -2.729) 7.276 5.398 ( 0.000 25.877 5.855) 26.531 5.439 ( 0.000 27.362 0.165) 27.362 5.473 ( 0.000 8.463 14.365) 16.672 5.809 ( 0.000 1.126 -14.403) 14.447 6.021 ( 0.000 7.652 0.518) 7.669 6.045 ( 0.000 8.868 -1.334) 8.967 6.489 ( 0.000 2.696 5.546) 6.167 6.492 ( 0.000 9.336 5.824) 11.003 6.806 ( 0.000 8.025 4.448) 9.176 6.956 ( 0.000 -0.930 -9.977) 10.020 7.354 ( 0.000 22.751 0.020) 22.751 7.364 ( 0.000 18.269 -1.473) 18.329 7.635 ( 0.000 0.299 1.894) 1.918 7.702 ( 0.000 0.975 -5.050) 5.143 8.064 ( 0.000 -2.101 9.693) 9.918 8.133 ( 0.000 0.401 -0.049) 0.404 8.145 ( 0.000 3.949 1.789) 4.336 8.293 ( 0.000 -3.596 -9.352) 10.020 8.545 ( 0.000 4.448 4.924) 6.635 8.622 ( 0.000 8.585 -2.398) 8.914 8.855 ( 0.000 9.311 3.887) 10.090 8.865 ( 0.000 -7.412 0.777) 7.453 8.865 ( 0.000 -2.873 0.257) 2.884 8.933 ( 0.000 8.063 -3.135) 8.650 9.961 ( 0.000 -0.044 -0.100) 0.109 9.972 ( 0.000 -2.654 -1.136) 2.887 10.322 ( 0.000 -7.073 1.068) 7.154 10.346 ( 0.000 -9.403 -1.171) 9.476 10.458 ( 0.000 14.143 1.456) 14.217 10.508 ( 0.000 12.532 -3.805) 13.097 11.033 ( 0.000 -4.461 9.042) 10.083 11.243 ( 0.000 -5.733 -11.260) 12.635 17.384 ( 0.000 2.255 -0.165) 2.261 17.389 ( 0.000 2.158 -0.624) 2.246 17.460 ( 0.000 2.282 0.231) 2.294 17.461 ( 0.000 1.824 0.112) 1.827 17.491 ( 0.000 1.406 0.404) 1.463 17.500 ( 0.000 1.239 -0.475) 1.327 17.572 ( 0.000 -1.940 1.146) 2.253 17.600 ( 0.000 -0.638 -1.686) 1.802 21.798 ( 0.000 -7.952 4.976) 9.380 21.853 ( 0.000 -9.879 0.016) 9.879 23.107 ( 0.000 -16.675 6.424) 17.869 23.317 ( 0.000 -20.489 -13.481) 24.526 25.814 ( 0.000 -0.505 0.277) 0.576 25.824 ( 0.000 -1.178 -0.648) 1.344 26.615 ( 0.000 6.682 1.646) 6.881 26.642 ( 0.000 5.305 -1.149) 5.428 26.963 ( 0.000 -6.336 8.360) 10.489 27.140 ( 0.000 -9.923 -8.617) 13.142 27.176 ( 0.000 10.442 6.076) 12.081 27.291 ( 0.000 6.898 -5.004) 8.522 31.795 ( 0.000 -1.108 0.953) 1.462 31.815 ( 0.000 -1.354 -0.936) 1.646 31.846 ( 0.000 -0.834 0.926) 1.246 31.865 ( 0.000 -0.930 -0.988) 1.357 51.516 ( 0.000 -4.683 7.041) 8.456 51.660 ( 0.000 -7.027 -6.721) 9.724 51.907 ( 0.000 -15.493 15.392) 21.839 52.190 ( 0.000 -19.650 -11.946) 22.997 ======================= Grid point 239 (82/96) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 3.673 17.326 18.598) 25.682 3.000 ( -1.241 24.794 3.700) 25.099 3.220 ( -4.311 21.022 -5.369) 22.121 3.284 ( -0.766 14.052 -11.604) 18.240 3.713 ( 0.827 17.738 7.144) 19.141 3.806 ( 1.372 17.603 -2.310) 17.807 4.257 ( -8.976 5.295 5.454) 11.763 4.457 ( -4.256 6.240 -13.553) 15.516 4.598 ( 2.071 5.769 3.255) 6.940 4.703 ( 1.604 7.087 -6.429) 9.702 5.127 ( 6.349 1.416 7.109) 9.637 5.197 ( 8.171 3.881 -1.100) 9.112 5.313 ( -4.929 12.978 5.939) 15.100 5.403 ( -0.166 22.408 -1.550) 22.462 5.614 ( 7.479 17.209 7.056) 20.047 5.764 ( -3.867 7.225 -6.600) 10.522 6.051 ( 3.238 9.272 1.759) 9.978 6.102 ( 5.503 10.832 -2.863) 12.483 6.441 ( -1.464 8.461 9.902) 13.106 6.543 ( 2.048 6.643 0.755) 6.992 6.775 ( -3.171 8.130 2.333) 9.033 6.927 ( -3.237 -2.056 -10.856) 11.513 7.315 ( -3.647 19.597 0.525) 19.940 7.335 ( -3.433 20.802 -1.226) 21.119 7.633 ( 0.318 -0.888 3.788) 3.904 7.730 ( 1.721 0.323 -5.603) 5.870 7.994 ( -4.265 0.735 6.859) 8.111 8.090 ( -3.484 1.314 -2.540) 4.508 8.227 ( 6.314 0.269 4.020) 7.490 8.340 ( 3.891 -3.007 -6.610) 8.239 8.547 ( 0.077 3.495 4.789) 5.929 8.625 ( 0.004 6.926 -2.748) 7.451 8.844 ( -0.520 7.483 4.189) 8.591 8.860 ( -0.538 -4.045 2.440) 4.754 8.885 ( 1.395 -2.266 -0.934) 2.820 8.942 ( 0.923 7.526 -3.770) 8.468 9.975 ( 1.371 -0.164 -0.243) 1.402 9.984 ( 1.237 -2.612 -1.087) 3.087 10.310 ( -1.377 -5.283 0.684) 5.502 10.333 ( -1.491 -5.629 -1.612) 6.042 10.488 ( 3.317 10.343 1.798) 11.010 10.539 ( 3.556 9.965 -3.531) 11.154 10.990 ( -4.564 -3.527 8.333) 10.134 11.183 ( -6.379 -4.710 -10.341) 13.031 17.388 ( 0.405 2.208 -0.068) 2.246 17.393 ( 0.488 2.169 -0.606) 2.305 17.453 ( -0.657 2.268 0.398) 2.395 17.459 ( -0.359 2.084 -0.219) 2.126 17.484 ( -0.639 1.407 0.305) 1.575 17.490 ( -0.785 1.289 -0.319) 1.542 17.581 ( 0.836 -1.883 1.069) 2.322 17.607 ( 0.531 -0.852 -1.523) 1.824 21.799 ( 0.109 -7.874 4.631) 9.135 21.847 ( -0.664 -9.558 0.325) 9.586 23.117 ( 1.086 -16.699 5.139) 17.506 23.297 ( -2.017 -19.910 -11.956) 23.311 25.812 ( -0.201 -0.485 0.244) 0.579 25.821 ( -0.294 -1.084 -0.612) 1.279 26.622 ( 0.758 5.897 1.446) 6.119 26.646 ( 0.387 4.777 -0.987) 4.894 26.940 ( -2.126 -0.791 7.144) 7.495 27.051 ( -5.529 7.580 -1.597) 9.517 27.245 ( 3.624 -7.051 -0.384) 7.937 27.307 ( 1.419 2.294 -4.437) 5.193 31.781 ( -1.202 -0.546 0.222) 1.338 31.789 ( -1.664 -0.441 -0.597) 1.822 31.877 ( 2.173 -1.912 0.659) 2.968 31.885 ( 1.664 -1.672 -0.145) 2.364 51.521 ( 0.567 -4.938 6.887) 8.494 51.642 ( -1.713 -7.208 -3.512) 8.199 51.937 ( 2.966 -15.530 10.989) 19.255 52.176 ( -1.467 -19.294 -10.934) 22.225 ======================= Grid point 240 (83/96) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 4.970 17.903 18.460) 26.191 2.986 ( -0.083 25.424 9.599) 27.176 3.157 ( -1.742 22.317 -5.410) 23.030 3.254 ( -2.979 16.052 -9.165) 18.722 3.738 ( 2.033 10.981 2.974) 11.557 3.820 ( -0.359 12.636 -4.400) 13.385 4.099 ( -5.446 13.389 4.694) 15.197 4.300 ( -11.182 11.633 -13.608) 21.108 4.671 ( 4.640 4.055 1.227) 6.283 4.743 ( 1.636 3.385 -5.535) 6.691 5.205 ( 1.720 10.692 10.731) 15.246 5.271 ( -0.530 8.728 2.224) 9.023 5.344 ( 6.110 0.128 1.235) 6.235 5.457 ( 6.021 0.111 -7.779) 9.837 5.686 ( -3.888 13.902 5.064) 15.298 5.706 ( 1.942 18.386 2.724) 18.688 6.136 ( 6.381 14.827 4.377) 16.724 6.235 ( 8.082 17.659 -4.686) 19.978 6.454 ( 2.575 10.820 10.531) 15.317 6.543 ( -2.397 9.842 4.540) 11.100 6.706 ( -3.599 8.585 -5.568) 10.847 6.831 ( -7.394 -3.161 -12.674) 15.010 7.241 ( -3.511 18.084 0.857) 18.442 7.260 ( -3.820 18.638 -0.898) 19.046 7.648 ( 1.185 -1.636 4.581) 5.007 7.724 ( -2.282 -0.643 -1.813) 2.985 7.960 ( 0.625 1.378 2.304) 2.756 8.032 ( -2.711 1.542 -3.582) 4.750 8.347 ( 6.244 -1.901 3.173) 7.258 8.410 ( 3.278 -1.828 -3.097) 4.866 8.545 ( -0.137 1.710 3.813) 4.181 8.609 ( -1.940 4.229 -2.247) 5.167 8.837 ( -0.318 7.068 5.122) 8.734 8.844 ( -0.908 -0.065 3.825) 3.932 8.918 ( 2.144 -0.677 -2.837) 3.620 8.958 ( 0.533 5.062 -4.611) 6.868 10.005 ( 1.710 -0.813 -0.377) 1.930 10.012 ( 1.511 -2.451 -0.857) 3.004 10.278 ( -1.645 -2.035 -0.334) 2.638 10.295 ( -2.277 -1.346 -2.033) 3.336 10.579 ( 6.588 5.468 2.888) 9.035 10.645 ( 7.998 4.870 -3.849) 10.125 10.874 ( -7.749 -1.029 6.527) 10.184 11.023 ( -10.435 -2.059 -8.085) 13.360 17.399 ( 0.792 2.195 0.114) 2.337 17.406 ( 0.824 2.188 -0.518) 2.394 17.437 ( -1.009 2.251 0.349) 2.491 17.445 ( -1.120 2.143 -0.422) 2.455 17.474 ( -0.265 1.628 0.244) 1.667 17.479 ( -0.437 1.554 -0.187) 1.625 17.597 ( 0.897 -1.799 0.625) 2.106 17.614 ( 0.141 -1.267 -0.981) 1.609 21.804 ( 0.397 -7.817 3.685) 8.651 21.831 ( -0.967 -8.805 1.188) 8.938 23.147 ( 2.135 -16.906 1.679) 17.122 23.249 ( -3.004 -18.656 -8.029) 20.531 25.808 ( -0.109 -0.497 0.096) 0.518 25.814 ( -0.369 -0.863 -0.456) 1.043 26.639 ( 0.925 3.652 0.876) 3.868 26.653 ( 0.268 3.241 -0.577) 3.303 26.906 ( -1.141 9.221 5.075) 10.587 26.961 ( -4.051 14.807 0.553) 15.361 27.296 ( 2.043 -12.680 -1.375) 12.917 27.327 ( 0.483 -6.235 -3.621) 7.226 31.761 ( -0.749 -0.000 -0.340) 0.823 31.765 ( -0.926 0.031 -0.651) 1.133 31.911 ( 1.384 -2.707 0.864) 3.161 31.913 ( 1.230 -2.554 0.630) 2.904 51.538 ( 1.270 -5.624 6.148) 8.428 51.605 ( -2.170 -7.104 1.166) 7.519 52.004 ( 4.019 -16.103 3.429) 16.948 52.137 ( -2.780 -18.365 -7.954) 20.205 ======================= Grid point 241 (84/96) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -1.383 22.750 14.659) 27.099 2.981 ( 1.383 22.750 14.659) 27.099 3.179 ( -3.951 19.001 -4.660) 19.960 3.179 ( 3.951 19.001 -4.660) 19.960 3.785 ( -2.814 7.353 -0.835) 7.917 3.785 ( 2.814 7.353 -0.835) 7.917 4.117 ( -6.961 16.781 -7.611) 19.697 4.117 ( 6.961 16.781 -7.611) 19.697 4.739 ( -2.189 3.256 -1.909) 4.363 4.739 ( 2.189 3.256 -1.909) 4.363 5.237 ( -2.254 10.116 2.925) 10.769 5.237 ( 2.254 10.116 2.925) 10.769 5.465 ( -5.533 -3.942 3.818) 7.793 5.465 ( 5.533 -3.942 3.818) 7.793 5.686 ( -3.079 16.021 0.328) 16.317 5.686 ( 3.079 16.021 0.328) 16.317 6.275 ( -6.148 19.779 4.396) 21.174 6.275 ( 6.148 19.779 4.396) 21.174 6.504 ( -2.339 14.381 5.641) 15.624 6.504 ( 2.339 14.381 5.641) 15.624 6.694 ( -4.497 0.599 -11.610) 12.465 6.694 ( 4.497 0.599 -11.610) 12.465 7.215 ( -0.768 16.725 -0.469) 16.749 7.215 ( 0.768 16.725 -0.469) 16.749 7.678 ( -2.163 -1.302 2.468) 3.531 7.678 ( 2.163 -1.302 2.468) 3.531 7.989 ( -2.037 1.234 -1.804) 2.987 7.989 ( 2.037 1.234 -1.804) 2.987 8.430 ( -1.946 -2.462 0.979) 3.287 8.430 ( 1.946 -2.462 0.979) 3.287 8.562 ( -2.396 2.428 0.375) 3.432 8.562 ( 2.396 2.428 0.375) 3.432 8.834 ( -0.157 4.129 4.766) 6.308 8.834 ( 0.157 4.129 4.766) 6.308 8.952 ( -1.234 2.141 -4.336) 4.991 8.952 ( 1.234 2.141 -4.336) 4.991 10.026 ( -0.242 -1.908 -0.489) 1.984 10.026 ( 0.242 -1.908 -0.489) 1.984 10.265 ( -0.534 -0.246 -1.532) 1.641 10.265 ( 0.534 -0.246 -1.532) 1.641 10.721 ( -8.478 1.253 4.621) 9.737 10.721 ( 8.478 1.253 4.621) 9.737 10.822 ( -10.836 1.775 -5.672) 12.359 10.822 ( 10.836 1.775 -5.672) 12.359 17.416 ( -0.818 2.505 0.171) 2.640 17.416 ( 0.818 2.505 0.171) 2.640 17.425 ( -0.828 1.817 -0.337) 2.025 17.425 ( 0.828 1.817 -0.337) 2.025 17.473 ( -0.132 1.787 -0.016) 1.792 17.473 ( 0.132 1.787 -0.016) 1.792 17.611 ( -0.478 -1.613 -0.160) 1.690 17.611 ( 0.478 -1.613 -0.160) 1.690 21.815 ( -0.794 -8.107 2.414) 8.496 21.815 ( 0.794 -8.107 2.414) 8.496 23.194 ( -2.901 -17.535 -3.062) 18.035 23.194 ( 2.901 -17.535 -3.062) 18.035 25.809 ( -0.175 -0.632 -0.178) 0.679 25.809 ( 0.175 -0.632 -0.178) 0.679 26.652 ( -0.430 2.094 0.093) 2.140 26.652 ( 0.430 2.094 0.093) 2.140 26.909 ( -1.567 15.820 2.829) 16.147 26.909 ( 1.567 15.820 2.829) 16.147 27.323 ( -0.907 -12.080 -2.520) 12.373 27.323 ( 0.907 -12.080 -2.520) 12.373 31.755 ( -0.095 0.169 -0.587) 0.618 31.755 ( 0.095 0.169 -0.587) 0.618 31.925 ( -0.036 -2.942 0.928) 3.085 31.925 ( 0.036 -2.942 0.928) 3.085 51.567 ( -1.903 -6.472 4.358) 8.032 51.567 ( 1.903 -6.472 4.358) 8.032 52.077 ( -3.744 -17.179 -3.118) 17.856 52.077 ( 3.744 -17.179 -3.118) 17.856 ======================= Grid point 245 (85/96) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.000 15.757 11.039) 19.239 3.348 ( 0.000 10.894 -9.199) 14.258 3.638 ( 0.000 19.942 0.741) 19.956 3.649 ( 0.000 17.314 1.611) 17.389 4.079 ( 0.000 12.505 2.903) 12.837 4.122 ( 0.000 19.445 4.942) 20.063 4.392 ( 0.000 4.007 -0.883) 4.103 4.587 ( 0.000 9.607 -14.616) 17.490 4.708 ( 0.000 2.050 5.666) 6.025 4.850 ( 0.000 6.177 -7.038) 9.364 4.990 ( 0.000 -3.197 8.729) 9.297 5.168 ( 0.000 0.512 -7.358) 7.376 5.399 ( 0.000 -4.520 16.609) 17.213 5.651 ( 0.000 -4.953 -1.058) 5.065 5.747 ( 0.000 -6.401 -4.652) 7.912 5.777 ( 0.000 -1.465 -2.237) 2.674 6.274 ( 0.000 14.908 2.043) 15.048 6.299 ( 0.000 15.145 -0.145) 15.146 6.509 ( 0.000 1.275 6.663) 6.784 6.606 ( 0.000 2.638 0.144) 2.642 6.977 ( 0.000 6.677 -0.637) 6.707 7.025 ( 0.000 13.552 -3.350) 13.960 7.576 ( 0.000 -0.867 4.004) 4.097 7.663 ( 0.000 2.039 -3.922) 4.420 7.752 ( 0.000 18.168 6.279) 19.222 7.925 ( 0.000 18.928 -9.140) 21.020 8.003 ( 0.000 -4.343 2.321) 4.924 8.059 ( 0.000 -5.228 -3.643) 6.372 8.254 ( 0.000 7.813 3.719) 8.653 8.320 ( 0.000 5.085 -2.678) 5.747 8.478 ( 0.000 -7.001 5.569) 8.946 8.557 ( 0.000 -9.447 -1.703) 9.599 8.970 ( 0.000 12.634 4.377) 13.371 8.971 ( 0.000 10.107 2.327) 10.372 9.084 ( 0.000 12.606 -1.377) 12.681 9.140 ( 0.000 11.468 -4.648) 12.375 9.900 ( 0.000 -3.728 0.601) 3.776 9.923 ( 0.000 -3.164 -1.763) 3.623 10.202 ( 0.000 -4.979 1.451) 5.187 10.212 ( 0.000 -4.202 0.187) 4.206 10.660 ( 0.000 0.986 1.039) 1.432 10.697 ( 0.000 8.495 -2.439) 8.838 10.999 ( 0.000 2.078 3.640) 4.192 11.118 ( 0.000 -6.173 -7.592) 9.785 17.424 ( 0.000 1.677 -0.149) 1.683 17.426 ( 0.000 1.449 -0.304) 1.481 17.484 ( 0.000 0.518 0.208) 0.558 17.487 ( 0.000 0.302 -0.144) 0.334 17.517 ( 0.000 1.218 0.373) 1.274 17.522 ( 0.000 1.165 0.023) 1.166 17.562 ( 0.000 0.857 1.462) 1.694 17.598 ( 0.000 0.381 -2.000) 2.036 21.731 ( 0.000 1.001 2.305) 2.513 21.758 ( 0.000 0.147 -0.087) 0.171 22.756 ( 0.000 -18.542 4.371) 19.051 22.896 ( 0.000 -21.797 -8.874) 23.534 25.817 ( 0.000 0.820 0.074) 0.824 25.820 ( 0.000 1.336 -0.198) 1.351 26.486 ( 0.000 -14.548 2.159) 14.708 26.523 ( 0.000 -13.853 -1.350) 13.919 27.018 ( 0.000 7.568 1.514) 7.718 27.061 ( 0.000 3.728 -2.563) 4.524 27.392 ( 0.000 9.429 4.545) 10.467 27.469 ( 0.000 7.569 -2.875) 8.097 31.780 ( 0.000 -0.472 0.742) 0.879 31.794 ( 0.000 -0.785 -0.624) 1.003 31.837 ( 0.000 -0.147 0.674) 0.690 31.852 ( 0.000 -0.458 -0.804) 0.925 51.437 ( 0.000 -3.166 4.693) 5.662 51.534 ( 0.000 -5.581 -4.575) 7.216 51.656 ( 0.000 -10.040 10.079) 14.226 51.848 ( 0.000 -14.841 -8.474) 17.090 ======================= Grid point 246 (86/96) ======================= q-point: ( 0.17 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 3.027 15.345 11.919) 19.664 3.371 ( 2.104 12.201 -6.749) 14.101 3.595 ( -3.238 17.205 0.873) 17.529 3.624 ( -2.874 18.150 -0.276) 18.378 4.018 ( -3.908 14.678 7.195) 16.807 4.152 ( -1.112 14.854 -4.915) 15.685 4.363 ( -1.867 8.022 8.009) 11.488 4.605 ( -0.334 9.971 -14.221) 17.371 4.686 ( 0.838 2.971 2.672) 4.082 4.812 ( -3.021 3.577 -8.648) 9.834 5.084 ( 8.068 -3.790 6.239) 10.880 5.201 ( 3.145 -1.450 -4.876) 5.981 5.377 ( -1.865 -1.302 11.910) 12.125 5.567 ( -5.603 -2.259 -5.089) 7.899 5.782 ( 5.227 -3.197 5.972) 8.556 5.896 ( 6.391 -2.582 -3.802) 7.872 6.292 ( 2.393 12.925 3.379) 13.572 6.327 ( 2.870 10.885 0.377) 11.263 6.523 ( 1.498 2.325 6.143) 6.737 6.627 ( 2.179 1.814 -1.211) 3.083 6.950 ( -2.825 7.660 -0.919) 8.216 7.000 ( -2.585 13.818 -3.908) 14.591 7.528 ( -4.882 0.027 3.637) 6.088 7.605 ( -5.839 2.829 -3.720) 7.479 7.752 ( 0.051 15.602 6.628) 16.951 7.910 ( -2.303 13.514 -6.533) 15.186 7.996 ( 0.083 0.388 0.475) 0.619 8.061 ( -0.064 -3.014 -4.665) 5.554 8.274 ( 2.211 5.607 3.921) 7.190 8.341 ( 2.250 3.431 -2.639) 4.878 8.477 ( -0.356 -6.167 5.538) 8.297 8.555 ( -0.394 -8.463 -1.728) 8.647 8.981 ( 1.040 12.800 4.165) 13.500 8.989 ( 2.020 9.894 1.360) 10.190 9.069 ( -1.090 11.694 0.692) 11.765 9.154 ( 0.843 12.241 -5.317) 13.372 9.919 ( 1.921 -3.259 0.498) 3.816 9.941 ( 1.814 -2.718 -1.769) 3.716 10.198 ( -0.513 -5.173 1.199) 5.335 10.211 ( -0.084 -4.532 -0.271) 4.541 10.661 ( 0.239 0.893 1.231) 1.540 10.695 ( -0.084 7.481 -1.993) 7.743 10.983 ( -1.673 2.958 2.851) 4.436 11.086 ( -3.283 -4.658 -6.878) 8.932 17.427 ( 0.316 1.569 0.002) 1.601 17.430 ( 0.437 1.468 -0.367) 1.575 17.487 ( 0.240 1.027 0.142) 1.064 17.490 ( 0.229 0.861 -0.196) 0.912 17.507 ( -0.808 1.078 0.344) 1.391 17.512 ( -0.927 1.138 -0.128) 1.474 17.567 ( 0.484 0.462 1.446) 1.593 17.600 ( 0.054 0.069 -1.711) 1.713 21.733 ( 0.186 1.036 2.150) 2.393 21.756 ( -0.199 0.296 0.077) 0.365 22.764 ( 0.865 -18.683 3.483) 19.024 22.885 ( -1.159 -21.474 -7.951) 22.928 25.815 ( -0.194 0.892 0.058) 0.915 25.817 ( -0.215 1.279 -0.194) 1.312 26.488 ( 0.237 -14.377 1.921) 14.507 26.522 ( -0.199 -13.948 -1.237) 14.004 27.031 ( 1.598 7.788 2.326) 8.284 27.088 ( 2.842 4.253 -3.152) 6.008 27.360 ( -3.321 9.136 4.730) 10.811 27.442 ( -2.865 7.034 -3.187) 8.237 31.775 ( -0.459 -0.049 0.398) 0.609 31.784 ( -0.813 -0.061 -0.531) 0.973 31.849 ( 1.059 -0.971 0.611) 1.561 31.859 ( 0.678 -0.966 -0.401) 1.246 51.438 ( 0.169 -3.275 4.581) 5.634 51.517 ( -1.583 -5.335 -1.689) 5.816 51.680 ( 2.294 -10.578 6.464) 12.607 51.840 ( -0.903 -14.659 -7.746) 16.604 ======================= Grid point 247 (87/96) ======================= q-point: ( 0.33 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 5.529 14.454 13.367) 20.449 3.398 ( -0.057 15.111 2.427) 15.304 3.551 ( -1.362 13.912 -2.270) 14.161 3.566 ( -2.827 16.267 -0.656) 16.524 3.952 ( -2.499 14.730 4.717) 15.667 4.063 ( -6.486 11.221 -3.911) 13.538 4.367 ( 1.965 14.445 2.302) 14.759 4.530 ( -6.436 12.206 -12.584) 18.675 4.741 ( 3.722 3.085 -0.326) 4.845 4.797 ( 0.666 2.216 -5.701) 6.153 5.215 ( 4.719 -7.263 2.394) 8.986 5.256 ( 1.746 -6.979 -1.421) 7.333 5.364 ( 1.999 4.147 8.655) 9.803 5.503 ( -1.685 2.150 -4.139) 4.959 5.866 ( 3.158 2.047 6.957) 7.910 5.955 ( -0.100 2.829 -1.652) 3.278 6.371 ( 5.833 7.247 5.457) 10.785 6.412 ( 6.146 -0.046 3.569) 7.107 6.557 ( 2.111 4.166 3.203) 5.663 6.676 ( 2.440 -1.354 -5.458) 6.130 6.877 ( -4.679 12.708 0.609) 13.556 6.939 ( -3.967 13.897 -4.759) 15.216 7.429 ( -4.603 0.725 2.574) 5.323 7.480 ( -6.686 3.212 -2.363) 7.785 7.756 ( 0.519 12.043 5.177) 13.119 7.844 ( -4.138 9.689 -1.266) 10.612 8.012 ( 1.240 3.842 -3.250) 5.182 8.052 ( -0.823 0.755 -5.459) 5.572 8.333 ( 3.904 1.630 4.117) 5.903 8.398 ( 3.676 1.165 -2.275) 4.477 8.458 ( -1.741 -5.336 5.282) 7.707 8.533 ( -2.226 -6.429 -1.726) 7.019 9.004 ( 1.392 12.593 3.936) 13.268 9.037 ( 1.789 10.011 0.718) 10.195 9.057 ( 0.861 11.518 1.653) 11.668 9.153 ( -1.106 12.150 -5.094) 13.221 9.961 ( 2.357 -2.153 0.208) 3.199 9.980 ( 1.905 -1.509 -1.650) 2.937 10.187 ( -0.428 -5.773 0.690) 5.830 10.206 ( -0.638 -5.214 -1.139) 5.375 10.675 ( 1.294 0.759 1.532) 2.144 10.699 ( 0.507 4.058 -0.795) 4.166 10.946 ( -1.882 4.809 0.687) 5.209 11.009 ( -4.655 -0.543 -5.121) 6.942 17.437 ( 0.793 1.544 0.112) 1.740 17.441 ( 0.744 1.376 -0.308) 1.595 17.480 ( -1.018 2.048 0.172) 2.293 17.484 ( -1.152 1.800 -0.137) 2.142 17.500 ( 0.200 0.993 0.045) 1.014 17.503 ( 0.163 0.928 -0.279) 0.982 17.577 ( 0.610 -0.333 1.022) 1.236 17.598 ( -0.314 -0.476 -0.973) 1.128 21.737 ( 0.327 1.066 1.720) 2.049 21.751 ( -0.347 0.639 0.522) 0.895 22.787 ( 1.586 -19.114 1.081) 19.210 22.856 ( -1.861 -20.694 -5.480) 21.488 25.811 ( -0.164 1.009 0.002) 1.022 25.813 ( -0.242 1.184 -0.161) 1.219 26.495 ( 0.460 -14.065 1.205) 14.124 26.515 ( -0.497 -13.997 -0.749) 14.026 27.081 ( 3.824 8.590 3.602) 10.069 27.158 ( 4.392 5.884 -3.745) 8.242 27.280 ( -4.893 7.709 4.741) 10.289 27.368 ( -4.988 5.755 -3.707) 8.470 31.767 ( -0.320 0.542 -0.071) 0.633 31.771 ( -0.563 0.583 -0.482) 0.943 31.868 ( 0.795 -1.802 0.623) 2.066 31.872 ( 0.543 -1.729 0.182) 1.822 51.445 ( 0.571 -3.609 4.128) 5.513 51.486 ( -1.614 -4.760 1.356) 5.206 51.728 ( 2.768 -11.821 1.574) 12.243 51.816 ( -1.752 -14.090 -5.670) 15.289 ======================= Grid point 248 (88/96) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -5.239 14.193 11.651) 19.096 3.348 ( 5.239 14.193 11.651) 19.096 3.538 ( -0.212 14.958 -1.687) 15.054 3.538 ( 0.212 14.958 -1.687) 15.054 3.962 ( -3.727 12.683 -1.855) 13.349 3.962 ( 3.727 12.683 -1.855) 13.349 4.424 ( -4.422 14.770 -6.670) 16.798 4.424 ( 4.422 14.770 -6.670) 16.798 4.793 ( -1.593 2.524 -2.568) 3.937 4.793 ( 1.593 2.524 -2.568) 3.937 5.256 ( -0.966 -8.216 0.693) 8.301 5.256 ( 0.966 -8.216 0.693) 8.301 5.450 ( -4.958 3.958 3.351) 7.175 5.450 ( 4.958 3.958 3.351) 7.175 5.918 ( -2.962 5.403 1.597) 6.365 5.918 ( 2.962 5.403 1.597) 6.365 6.463 ( -2.509 -0.915 8.088) 8.517 6.463 ( 2.509 -0.915 8.088) 8.517 6.639 ( -6.641 0.229 -5.240) 8.462 6.639 ( 6.641 0.229 -5.240) 8.462 6.860 ( -3.688 15.692 -1.592) 16.198 6.860 ( 3.688 15.692 -1.592) 16.198 7.398 ( -1.581 1.952 0.069) 2.513 7.398 ( 1.581 1.952 0.069) 2.513 7.781 ( -2.416 10.418 2.153) 10.909 7.781 ( 2.416 10.418 2.153) 10.909 8.034 ( -1.089 2.903 -4.772) 5.691 8.034 ( 1.089 2.903 -4.772) 5.691 8.403 ( -3.382 -0.274 4.110) 5.330 8.403 ( 3.382 -0.274 4.110) 5.330 8.476 ( -3.723 -4.855 -1.340) 6.263 8.476 ( 3.723 -4.855 -1.340) 6.263 9.028 ( -1.163 11.799 3.964) 12.501 9.028 ( 1.163 11.799 3.964) 12.501 9.112 ( -3.167 11.259 -3.336) 12.162 9.112 ( 3.167 11.259 -3.336) 12.162 9.993 ( -0.707 -1.091 -0.675) 1.465 9.993 ( 0.707 -1.091 -0.675) 1.465 10.190 ( -0.797 -5.892 -0.616) 5.978 10.190 ( 0.797 -5.892 -0.616) 5.978 10.699 ( -0.860 0.822 0.969) 1.534 10.699 ( 0.860 0.822 0.969) 1.534 10.941 ( -1.957 4.255 -2.569) 5.342 10.941 ( 1.957 4.255 -2.569) 5.342 17.452 ( -0.304 1.313 -0.040) 1.349 17.452 ( 0.304 1.313 -0.040) 1.349 17.465 ( -0.210 1.999 0.011) 2.010 17.465 ( 0.210 1.999 0.011) 2.010 17.505 ( -0.112 1.422 -0.180) 1.437 17.505 ( 0.112 1.422 -0.180) 1.437 17.589 ( -0.603 -0.742 0.067) 0.958 17.589 ( 0.603 -0.742 0.067) 0.958 21.744 ( -0.391 0.946 1.124) 1.520 21.744 ( 0.391 0.946 1.124) 1.520 22.820 ( -1.973 -19.821 -2.182) 20.038 22.820 ( 1.973 -19.821 -2.182) 20.038 25.810 ( -0.054 1.100 -0.086) 1.104 25.810 ( 0.054 1.100 -0.086) 1.104 26.505 ( -0.606 -13.939 0.177) 13.953 26.505 ( 0.606 -13.939 0.177) 13.953 27.164 ( -4.750 10.054 3.775) 11.743 27.164 ( 4.750 10.054 3.775) 11.743 27.271 ( -5.027 3.821 -3.292) 7.121 27.271 ( 5.027 3.821 -3.292) 7.121 31.765 ( -0.108 0.779 -0.356) 0.864 31.765 ( 0.108 0.779 -0.356) 0.864 31.876 ( -0.102 -2.070 0.526) 2.139 31.876 ( 0.102 -2.070 0.526) 2.139 51.460 ( -1.137 -4.137 3.131) 5.311 51.460 ( 1.137 -4.137 3.131) 5.311 51.777 ( -2.441 -13.111 -2.492) 13.567 51.777 ( 2.441 -13.111 -2.492) 13.567 ======================= Grid point 252 (89/96) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 0.000 9.880 3.630) 10.526 3.494 ( 0.000 4.225 -6.000) 7.338 3.942 ( 0.000 12.109 7.603) 14.298 3.972 ( 0.000 12.635 3.071) 13.002 4.272 ( 0.000 6.737 0.001) 6.737 4.337 ( 0.000 2.461 -4.245) 4.907 4.612 ( 0.000 15.857 6.649) 17.194 4.709 ( 0.000 0.042 4.138) 4.138 4.840 ( 0.000 13.529 -10.762) 17.287 4.863 ( 0.000 -1.603 -4.598) 4.870 5.033 ( 0.000 6.531 4.965) 8.204 5.160 ( 0.000 -1.713 -2.632) 3.140 5.311 ( 0.000 -3.270 7.242) 7.946 5.451 ( 0.000 -12.257 -1.881) 12.400 5.581 ( 0.000 -9.681 -1.295) 9.767 5.599 ( 0.000 -12.954 -1.609) 13.054 6.466 ( 0.000 4.772 3.344) 5.827 6.473 ( 0.000 4.044 3.228) 5.174 6.525 ( 0.000 0.131 1.261) 1.267 6.578 ( 0.000 -3.680 -3.556) 5.117 7.220 ( 0.000 13.258 3.342) 13.672 7.308 ( 0.000 13.491 -4.824) 14.328 7.519 ( 0.000 -3.923 5.557) 6.803 7.652 ( 0.000 -3.711 -7.190) 8.092 7.934 ( 0.000 -1.301 1.032) 1.660 7.965 ( 0.000 -2.966 -2.126) 3.649 8.082 ( 0.000 14.399 6.834) 15.938 8.230 ( 0.000 9.893 -6.881) 12.051 8.341 ( 0.000 -2.278 3.592) 4.253 8.381 ( 0.000 -3.907 -0.162) 3.910 8.422 ( 0.000 3.726 1.651) 4.075 8.435 ( 0.000 1.354 0.268) 1.381 9.158 ( 0.000 7.372 8.525) 11.270 9.175 ( 0.000 6.738 9.467) 11.620 9.350 ( 0.000 13.125 -9.627) 16.277 9.360 ( 0.000 10.495 -8.039) 13.220 9.845 ( 0.000 -1.737 0.651) 1.855 9.863 ( 0.000 -2.498 -1.199) 2.771 10.139 ( 0.000 -1.713 1.755) 2.453 10.151 ( 0.000 -2.145 0.414) 2.185 10.589 ( 0.000 -5.143 3.755) 6.368 10.711 ( 0.000 -6.851 -8.055) 10.575 11.074 ( 0.000 2.087 -0.407) 2.126 11.078 ( 0.000 3.932 -1.004) 4.058 17.443 ( 0.000 0.388 0.142) 0.413 17.446 ( 0.000 0.471 -0.158) 0.497 17.488 ( 0.000 0.141 0.044) 0.147 17.489 ( 0.000 0.125 -0.025) 0.128 17.537 ( 0.000 0.777 0.276) 0.825 17.541 ( 0.000 0.656 -0.090) 0.662 17.588 ( 0.000 1.378 0.752) 1.570 17.608 ( 0.000 0.385 -1.193) 1.253 21.830 ( 0.000 8.755 1.108) 8.825 21.852 ( 0.000 9.095 -0.869) 9.137 22.393 ( 0.000 -17.779 2.599) 17.968 22.475 ( 0.000 -20.347 -5.147) 20.988 25.867 ( 0.000 4.525 0.357) 4.539 25.875 ( 0.000 4.482 -0.407) 4.500 26.211 ( 0.000 -12.562 1.030) 12.604 26.233 ( 0.000 -13.857 -1.052) 13.897 27.142 ( 0.000 4.487 0.154) 4.490 27.150 ( 0.000 3.790 -0.545) 3.829 27.536 ( 0.000 5.138 2.768) 5.836 27.575 ( 0.000 3.181 -1.019) 3.340 31.775 ( 0.000 -0.029 0.468) 0.469 31.783 ( 0.000 -0.404 -0.255) 0.478 31.837 ( 0.000 0.141 0.321) 0.350 31.845 ( 0.000 -0.255 -0.455) 0.522 51.397 ( 0.000 -0.850 2.327) 2.477 51.445 ( 0.000 -3.364 -2.299) 4.075 51.514 ( 0.000 -4.269 5.048) 6.611 51.611 ( 0.000 -9.131 -4.291) 10.088 ======================= Grid point 253 (90/96) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 2.272 9.577 4.692) 10.904 3.521 ( 2.712 3.777 -5.535) 7.229 3.874 ( -6.627 9.743 7.113) 13.764 3.908 ( -5.906 10.489 2.456) 12.286 4.276 ( 0.572 9.583 2.220) 9.854 4.358 ( 0.925 9.105 -5.084) 10.469 4.622 ( 0.095 14.839 9.051) 17.382 4.717 ( 1.956 0.703 1.209) 2.404 4.818 ( -2.079 -2.425 -6.707) 7.429 4.845 ( -1.275 12.382 -11.737) 17.108 5.039 ( 0.374 0.255 4.658) 4.680 5.151 ( -1.381 -3.150 -4.181) 5.414 5.345 ( 3.284 -1.476 7.972) 8.747 5.459 ( 2.458 -6.779 -0.955) 7.274 5.633 ( 6.020 -9.485 2.647) 11.542 5.707 ( 8.717 -12.758 -3.017) 15.744 6.450 ( -1.332 4.012 3.253) 5.334 6.466 ( -0.465 3.927 2.464) 4.659 6.532 ( 0.522 -0.768 2.664) 2.821 6.589 ( 0.863 -4.122 -3.454) 5.447 7.195 ( -2.493 12.608 3.049) 13.209 7.278 ( -3.094 13.004 -4.761) 14.189 7.474 ( -4.485 -3.848 5.126) 7.823 7.599 ( -5.430 -3.363 -6.831) 9.351 7.938 ( 0.402 -0.528 1.450) 1.595 7.979 ( 1.378 -2.313 -2.590) 3.735 8.054 ( -2.584 11.885 6.049) 13.584 8.183 ( -3.806 5.335 -5.632) 8.640 8.351 ( 0.539 2.656 1.986) 3.360 8.372 ( -0.007 -0.692 0.624) 0.932 8.449 ( 2.388 1.898 1.712) 3.498 8.471 ( 2.557 1.094 -0.032) 2.781 9.167 ( 1.214 7.056 6.406) 9.607 9.195 ( 1.886 6.718 9.311) 11.636 9.303 ( -2.705 12.080 -6.226) 13.856 9.386 ( 0.461 9.977 -8.688) 13.238 9.871 ( 2.737 -1.435 0.553) 3.139 9.888 ( 2.669 -2.219 -1.165) 3.662 10.130 ( -1.083 -1.839 1.345) 2.523 10.145 ( -0.743 -2.341 -0.241) 2.468 10.611 ( 2.472 -3.439 3.590) 5.552 10.722 ( 1.214 -4.812 -7.172) 8.722 11.050 ( -2.616 1.582 -0.229) 3.066 11.059 ( -2.080 3.052 -1.319) 3.922 17.447 ( 0.441 0.534 0.133) 0.706 17.450 ( 0.399 0.503 -0.141) 0.657 17.497 ( 0.895 0.170 0.024) 0.911 17.498 ( 0.903 0.260 -0.063) 0.942 17.529 ( -0.842 0.893 0.267) 1.256 17.532 ( -0.874 0.758 -0.089) 1.160 17.586 ( -0.252 1.083 0.710) 1.319 17.604 ( -0.469 0.187 -1.039) 1.155 21.833 ( 0.274 8.822 0.986) 8.881 21.852 ( -0.035 9.122 -0.730) 9.152 22.398 ( 0.546 -17.934 2.052) 18.059 22.469 ( -0.626 -20.145 -4.654) 20.685 25.866 ( -0.129 4.543 0.316) 4.556 25.873 ( -0.236 4.508 -0.351) 4.528 26.212 ( 0.137 -12.708 0.946) 12.743 26.231 ( -0.153 -13.835 -0.881) 13.864 27.160 ( 2.062 4.744 0.756) 5.228 27.178 ( 2.868 3.605 -1.054) 4.726 27.503 ( -3.388 5.203 2.757) 6.793 27.544 ( -3.245 3.138 -1.183) 4.667 31.777 ( 0.179 0.236 0.382) 0.483 31.784 ( 0.095 -0.018 -0.290) 0.305 31.837 ( 0.021 -0.284 0.371) 0.468 31.845 ( -0.069 -0.552 -0.344) 0.654 51.398 ( 0.136 -0.749 2.318) 2.440 51.439 ( -0.589 -2.449 -1.144) 2.766 51.521 ( 0.763 -5.415 3.535) 6.512 51.604 ( -0.691 -9.136 -3.963) 9.982 ======================= Grid point 254 (91/96) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 4.391 8.838 6.712) 11.935 3.580 ( 3.099 4.126 -2.772) 5.857 3.738 ( -7.012 6.143 5.991) 11.081 3.793 ( -6.064 6.455 0.540) 8.873 4.288 ( 0.654 15.447 3.440) 15.839 4.343 ( -2.186 18.741 -1.391) 18.920 4.630 ( 1.559 10.398 1.336) 10.599 4.750 ( -3.509 6.680 -9.448) 12.092 4.787 ( 3.484 0.870 -1.081) 3.750 4.843 ( 0.462 4.091 -6.389) 7.601 5.036 ( -0.508 -9.055 2.832) 9.501 5.103 ( -3.570 -7.985 -3.118) 9.286 5.435 ( 6.355 3.419 7.007) 10.059 5.530 ( 3.704 1.537 -1.704) 4.357 5.772 ( 7.752 -9.328 5.488) 13.312 5.847 ( 5.286 -10.301 -1.511) 11.676 6.432 ( -0.194 2.484 4.237) 4.915 6.461 ( -0.176 2.201 2.399) 3.261 6.539 ( 0.419 -3.068 3.232) 4.476 6.595 ( -0.553 -5.472 -3.177) 6.352 7.147 ( -2.058 11.542 1.714) 11.849 7.204 ( -4.449 11.747 -3.746) 13.108 7.386 ( -3.850 -3.298 2.892) 5.836 7.475 ( -7.191 -2.803 -5.465) 9.457 7.948 ( 0.770 1.830 2.382) 3.101 8.001 ( -1.329 8.433 3.330) 9.164 8.016 ( 1.041 -1.691 -2.313) 3.049 8.115 ( -3.464 1.832 -5.339) 6.622 8.364 ( 0.921 3.695 2.049) 4.324 8.378 ( 0.413 2.125 1.019) 2.393 8.489 ( 1.684 2.470 1.259) 3.244 8.505 ( 1.025 1.871 -0.038) 2.134 9.199 ( 1.867 7.006 4.015) 8.288 9.240 ( 2.919 6.270 4.788) 8.411 9.262 ( -1.593 10.984 -1.530) 11.204 9.368 ( -2.296 7.847 -5.623) 9.922 9.934 ( 3.713 -0.616 0.320) 3.777 9.952 ( 3.756 -1.282 -1.439) 4.222 10.100 ( -2.043 -2.585 0.864) 3.406 10.120 ( -2.007 -3.256 -1.032) 3.962 10.677 ( 4.488 0.710 2.490) 5.182 10.752 ( 1.714 0.524 -4.782) 5.107 10.988 ( -3.548 -0.641 -0.141) 3.608 11.006 ( -3.409 0.685 -1.945) 3.984 17.459 ( 0.915 0.771 0.077) 1.199 17.461 ( 0.825 0.666 -0.074) 1.063 17.507 ( -0.971 0.525 0.202) 1.122 17.510 ( -1.024 0.444 -0.082) 1.119 17.519 ( 0.807 1.086 -0.014) 1.353 17.520 ( 1.018 1.022 -0.167) 1.452 17.579 ( -0.469 0.289 0.587) 0.805 17.591 ( -0.901 -0.278 -0.623) 1.130 21.839 ( 0.393 8.975 0.643) 9.007 21.850 ( -0.157 9.156 -0.352) 9.164 22.413 ( 0.978 -18.363 0.578) 18.398 22.454 ( -1.052 -19.624 -3.290) 19.926 25.863 ( -0.086 4.576 0.193) 4.581 25.868 ( -0.286 4.558 -0.199) 4.571 26.216 ( 0.258 -13.059 0.656) 13.078 26.227 ( -0.290 -13.717 -0.425) 13.726 27.219 ( 4.337 5.124 1.557) 6.891 27.251 ( 4.946 3.331 -1.548) 6.160 27.419 ( -5.493 5.317 2.615) 8.079 27.462 ( -5.467 3.095 -1.506) 6.460 31.781 ( 0.232 0.836 0.144) 0.880 31.786 ( 0.033 0.800 -0.302) 0.855 31.838 ( 0.083 -1.176 0.415) 1.250 31.843 ( -0.123 -1.216 -0.055) 1.224 51.402 ( 0.384 -0.562 2.176) 2.279 51.426 ( -0.798 -1.173 0.575) 1.530 51.540 ( 1.201 -7.260 0.902) 7.414 51.587 ( -1.170 -9.022 -2.981) 9.573 ======================= Grid point 255 (92/96) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( -5.065 8.393 7.218) 12.174 3.566 ( 5.065 8.393 7.218) 12.174 3.700 ( -3.462 2.567 -1.450) 4.547 3.700 ( 3.462 2.567 -1.450) 4.547 4.306 ( -1.465 19.973 2.040) 20.130 4.306 ( 1.465 19.973 2.040) 20.130 4.679 ( -3.553 9.661 -6.460) 12.153 4.679 ( 3.553 9.661 -6.460) 12.153 4.840 ( -1.469 2.065 -2.798) 3.775 4.840 ( 1.469 2.065 -2.798) 3.775 5.044 ( -2.017 -12.030 -0.170) 12.199 5.044 ( 2.017 -12.030 -0.170) 12.199 5.538 ( -3.412 5.124 2.901) 6.805 5.538 ( 3.412 5.124 2.901) 6.805 5.874 ( -2.497 -8.316 1.950) 8.899 5.874 ( 2.497 -8.316 1.950) 8.899 6.447 ( -1.378 0.514 4.531) 4.764 6.447 ( 1.378 0.514 4.531) 4.764 6.565 ( -2.309 -5.445 -0.432) 5.930 6.565 ( 2.309 -5.445 -0.432) 5.930 7.141 ( -1.773 11.301 -0.988) 11.481 7.141 ( 1.773 11.301 -0.988) 11.481 7.374 ( -2.913 -2.769 -1.915) 4.452 7.374 ( 2.913 -2.769 -1.915) 4.452 7.968 ( -1.481 5.081 3.564) 6.380 7.968 ( 1.481 5.081 3.564) 6.380 8.058 ( -2.755 -0.289 -4.881) 5.612 8.058 ( 2.755 -0.289 -4.881) 5.612 8.379 ( -0.465 3.124 1.769) 3.620 8.379 ( 0.465 3.124 1.769) 3.620 8.509 ( -0.498 2.771 0.431) 2.849 8.509 ( 0.498 2.771 0.431) 2.849 9.229 ( -1.528 8.334 1.563) 8.616 9.229 ( 1.528 8.334 1.563) 8.616 9.310 ( -3.797 6.811 -0.566) 7.819 9.310 ( 3.797 6.811 -0.566) 7.819 9.988 ( -1.119 0.616 -0.837) 1.527 9.988 ( 1.119 0.616 -0.837) 1.527 10.081 ( -1.200 -4.550 -0.119) 4.707 10.081 ( 1.200 -4.550 -0.119) 4.707 10.752 ( -2.586 4.417 -0.490) 5.142 10.752 ( 2.586 4.417 -0.490) 5.142 10.956 ( -0.999 -2.530 -1.611) 3.161 10.956 ( 0.999 -2.530 -1.611) 3.161 17.474 ( -0.056 0.987 -0.035) 0.990 17.474 ( 0.056 0.987 -0.035) 0.990 17.491 ( -0.137 0.534 0.125) 0.565 17.491 ( 0.137 0.534 0.125) 0.565 17.533 ( -0.144 1.454 -0.204) 1.475 17.533 ( 0.144 1.454 -0.204) 1.475 17.576 ( -0.454 -0.679 0.094) 0.822 17.576 ( 0.454 -0.679 0.094) 0.822 21.846 ( -0.322 9.113 0.155) 9.120 21.846 ( 0.322 9.113 0.155) 9.120 22.433 ( -1.172 -18.971 -1.384) 19.058 22.433 ( 1.172 -18.971 -1.384) 19.058 25.864 ( -0.118 4.585 0.004) 4.587 25.864 ( 0.118 4.585 0.004) 4.587 26.221 ( -0.328 -13.442 0.156) 13.447 26.221 ( 0.328 -13.442 0.156) 13.447 27.313 ( -5.714 5.291 2.215) 8.097 27.313 ( 5.714 5.291 2.215) 8.097 27.354 ( -5.992 3.184 -1.694) 6.994 27.354 ( 5.992 3.184 -1.694) 6.994 31.785 ( -0.131 1.199 -0.143) 1.215 31.785 ( 0.131 1.199 -0.143) 1.215 31.840 ( -0.134 -1.611 0.264) 1.638 31.840 ( 0.134 -1.611 0.264) 1.638 51.412 ( -0.671 -0.586 1.667) 1.890 51.412 ( 0.671 -0.586 1.667) 1.890 51.563 ( -1.338 -8.489 -1.350) 8.699 51.563 ( 1.338 -8.489 -1.350) 8.699 ======================= Grid point 259 (93/96) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 0.000 -2.508 -1.867) 3.126 3.513 ( 0.000 2.508 -1.867) 3.126 4.093 ( 0.000 -1.466 6.344) 6.512 4.093 ( 0.000 1.466 6.344) 6.512 4.339 ( 0.000 -1.052 0.610) 1.216 4.339 ( 0.000 1.052 0.610) 1.216 4.725 ( 0.000 -1.303 -0.378) 1.357 4.725 ( 0.000 1.303 -0.378) 1.357 4.977 ( 0.000 -5.989 -4.001) 7.202 4.977 ( 0.000 5.989 -4.001) 7.202 5.153 ( 0.000 -0.357 -0.954) 1.019 5.153 ( 0.000 0.357 -0.954) 1.019 5.259 ( 0.000 -0.465 5.591) 5.611 5.259 ( 0.000 0.465 5.591) 5.611 5.433 ( 0.000 -1.805 -3.342) 3.798 5.433 ( 0.000 1.805 -3.342) 3.798 6.507 ( 0.000 -0.465 2.895) 2.932 6.507 ( 0.000 0.466 2.895) 2.932 6.528 ( 0.000 -0.603 -1.106) 1.260 6.528 ( 0.000 0.603 -1.106) 1.260 7.412 ( 0.000 -6.272 4.472) 7.703 7.412 ( 0.000 6.272 4.472) 7.703 7.531 ( 0.000 -8.016 -5.800) 9.894 7.531 ( 0.000 8.016 -5.800) 9.894 7.932 ( 0.000 -0.710 -0.873) 1.126 7.932 ( 0.000 0.710 -0.873) 1.126 8.284 ( 0.000 -4.589 0.752) 4.651 8.284 ( 0.000 4.589 0.752) 4.651 8.321 ( 0.000 -1.129 2.130) 2.411 8.321 ( 0.000 1.129 2.130) 2.411 8.460 ( 0.000 -0.252 0.090) 0.267 8.460 ( 0.000 0.252 0.090) 0.267 9.235 ( 0.000 -0.427 9.960) 9.970 9.235 ( 0.000 0.427 9.960) 9.969 9.494 ( 0.000 -0.555 -9.667) 9.683 9.494 ( 0.000 0.555 -9.667) 9.683 9.832 ( 0.000 -0.514 -0.043) 0.516 9.832 ( 0.000 0.514 -0.043) 0.516 10.126 ( 0.000 -0.323 1.080) 1.128 10.126 ( 0.000 0.323 1.080) 1.128 10.566 ( 0.000 -4.377 -2.320) 4.954 10.566 ( 0.000 4.377 -2.320) 4.954 11.114 ( 0.000 -0.512 -0.728) 0.890 11.114 ( 0.000 0.512 -0.728) 0.890 17.447 ( 0.000 -0.150 0.032) 0.154 17.447 ( 0.000 0.150 0.032) 0.154 17.491 ( 0.000 -0.029 -0.021) 0.036 17.491 ( 0.000 0.029 -0.021) 0.036 17.546 ( 0.000 -0.114 0.085) 0.142 17.546 ( 0.000 0.114 0.085) 0.142 17.608 ( 0.000 -0.522 -0.186) 0.554 17.608 ( 0.000 0.522 -0.186) 0.554 22.048 ( 0.000 -7.350 -0.049) 7.350 22.048 ( 0.000 7.350 -0.049) 7.350 22.127 ( 0.000 -8.906 -1.101) 8.974 22.127 ( 0.000 8.907 -1.101) 8.974 25.995 ( 0.000 -0.285 -0.100) 0.302 25.995 ( 0.000 0.285 -0.100) 0.302 26.010 ( 0.000 -0.506 0.018) 0.507 26.010 ( 0.000 0.506 0.018) 0.507 27.188 ( 0.000 -0.125 -0.166) 0.208 27.188 ( 0.000 0.125 -0.166) 0.208 27.596 ( 0.000 -0.998 0.873) 1.326 27.596 ( 0.000 0.998 0.873) 1.326 31.777 ( 0.000 -0.200 0.128) 0.237 31.777 ( 0.000 0.200 0.128) 0.237 31.841 ( 0.000 -0.205 -0.068) 0.217 31.841 ( 0.000 0.205 -0.068) 0.217 51.401 ( 0.000 -1.192 0.017) 1.193 51.401 ( 0.000 1.192 0.017) 1.193 51.494 ( 0.000 -2.507 0.242) 2.519 51.494 ( 0.000 2.507 0.242) 2.519 ======================= Grid point 261 (94/96) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 2.032 -2.691 -1.167) 3.568 3.532 ( 2.032 2.691 -1.168) 3.568 3.991 ( -8.638 -1.788 5.341) 10.312 3.991 ( -8.638 1.788 5.341) 10.312 4.425 ( 7.151 -4.436 1.221) 8.503 4.425 ( 7.151 4.436 1.221) 8.503 4.722 ( -0.212 -1.823 -1.236) 2.213 4.722 ( -0.212 1.823 -1.236) 2.213 4.914 ( -5.027 -8.083 -2.482) 9.837 4.914 ( -5.027 8.083 -2.482) 9.837 5.105 ( -4.876 -4.701 -2.950) 7.388 5.105 ( -4.876 4.701 -2.950) 7.388 5.344 ( 8.365 -3.523 5.893) 10.822 5.344 ( 8.365 3.523 5.893) 10.822 5.526 ( 8.231 -2.078 -2.490) 8.847 5.526 ( 8.231 2.078 -2.490) 8.847 6.499 ( -0.859 -1.243 3.232) 3.568 6.499 ( -0.859 1.243 3.232) 3.568 6.525 ( -0.474 -1.579 -1.010) 1.934 6.525 ( -0.474 1.579 -1.010) 1.934 7.377 ( -3.512 -6.131 4.332) 8.288 7.377 ( -3.512 6.131 4.332) 8.288 7.487 ( -4.564 -7.744 -5.684) 10.635 7.487 ( -4.564 7.744 -5.684) 10.635 7.945 ( 1.284 -0.981 -0.846) 1.824 7.945 ( 1.284 0.981 -0.846) 1.824 8.186 ( -5.968 -2.318 0.512) 6.423 8.186 ( -5.968 2.318 0.512) 6.423 8.404 ( 4.406 -2.332 2.090) 5.405 8.404 ( 4.406 2.332 2.090) 5.405 8.469 ( 0.939 -1.822 -0.040) 2.050 8.469 ( 0.939 1.822 -0.040) 2.050 9.248 ( 1.374 -0.903 8.532) 8.689 9.248 ( 1.374 0.903 8.532) 8.689 9.470 ( -2.390 -2.746 -7.966) 8.758 9.470 ( -2.390 2.746 -7.966) 8.758 9.862 ( 3.025 -0.430 -0.028) 3.056 9.862 ( 3.025 0.430 -0.028) 3.056 10.117 ( -1.090 -0.442 0.367) 1.232 10.117 ( -1.090 0.442 0.367) 1.232 10.607 ( 4.392 -3.997 -1.933) 6.245 10.607 ( 4.392 3.997 -1.933) 6.245 11.084 ( -3.313 -0.700 -0.791) 3.477 11.084 ( -3.313 0.700 -0.791) 3.477 17.452 ( 0.556 -0.108 0.041) 0.568 17.452 ( 0.556 0.108 0.041) 0.568 17.500 ( 0.924 -0.050 -0.037) 0.926 17.500 ( 0.924 0.050 -0.037) 0.926 17.539 ( -0.727 -0.110 0.098) 0.741 17.539 ( -0.727 0.110 0.098) 0.741 17.602 ( -0.618 -0.467 -0.164) 0.792 17.602 ( -0.618 0.467 -0.164) 0.792 22.054 ( 0.641 -7.465 -0.134) 7.493 22.054 ( 0.641 7.465 -0.134) 7.493 22.122 ( -0.495 -8.811 -1.047) 8.887 22.122 ( -0.495 8.811 -1.047) 8.887 25.995 ( 0.016 -1.095 -0.046) 1.096 25.995 ( 0.016 1.095 -0.046) 1.096 26.007 ( -0.255 -1.211 0.030) 1.238 26.007 ( -0.255 1.211 0.030) 1.238 27.211 ( 2.495 -0.444 -0.125) 2.537 27.211 ( 2.495 0.444 -0.125) 2.537 27.565 ( -3.291 -1.033 0.785) 3.537 27.565 ( -3.291 1.033 0.785) 3.537 31.782 ( 0.496 -0.205 0.122) 0.550 31.782 ( 0.496 0.205 0.122) 0.550 31.837 ( -0.415 -0.211 -0.048) 0.468 31.837 ( -0.415 0.211 -0.048) 0.468 51.406 ( 0.537 -1.326 0.027) 1.431 51.406 ( 0.537 1.326 0.027) 1.431 51.487 ( -0.794 -2.444 0.222) 2.579 51.487 ( -0.794 2.444 0.222) 2.579 ======================= Grid point 263 (95/96) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 4.107 -2.856 0.512) 5.028 3.588 ( 4.107 2.856 0.512) 5.028 3.826 ( -8.728 -2.212 4.097) 9.893 3.826 ( -8.728 2.212 4.097) 9.893 4.557 ( 6.788 -7.429 1.501) 10.174 4.557 ( 6.788 7.429 1.501) 10.175 4.716 ( -0.958 -4.619 -2.123) 5.173 4.716 ( -0.958 4.619 -2.123) 5.173 4.843 ( -1.664 -5.938 -1.047) 6.255 4.843 ( -1.664 5.938 -1.047) 6.255 4.992 ( -6.822 -4.275 -4.609) 9.277 4.992 ( -6.822 4.275 -4.609) 9.277 5.529 ( 10.630 -5.575 4.757) 12.911 5.529 ( 10.630 5.575 4.757) 12.911 5.666 ( 5.376 -4.923 -0.622) 7.316 5.666 ( 5.376 4.923 -0.622) 7.316 6.481 ( -0.874 -2.079 3.301) 3.998 6.481 ( -0.874 2.079 3.301) 3.998 6.507 ( -1.535 -2.563 0.219) 2.996 6.507 ( -1.535 2.563 0.219) 2.996 7.308 ( -2.996 -5.264 2.520) 6.560 7.308 ( -2.996 5.264 2.520) 6.560 7.383 ( -5.941 -6.583 -4.516) 9.951 7.383 ( -5.941 6.583 -4.516) 9.951 7.976 ( 2.096 -1.524 -0.816) 2.717 7.976 ( 2.096 1.524 -0.816) 2.717 8.090 ( -4.431 -2.231 -0.263) 4.968 8.090 ( -4.431 2.231 -0.263) 4.968 8.466 ( 2.347 -4.092 1.949) 5.104 8.466 ( 2.347 4.092 1.949) 5.104 8.488 ( 0.860 -3.857 0.204) 3.957 8.488 ( 0.860 3.858 0.204) 3.958 9.286 ( 2.753 -1.423 4.916) 5.811 9.286 ( 2.753 1.423 4.916) 5.811 9.414 ( -3.580 -3.372 -4.140) 6.428 9.414 ( -3.580 3.372 -4.140) 6.428 9.933 ( 4.484 -0.497 -0.055) 4.512 9.933 ( 4.484 0.497 -0.055) 4.512 10.082 ( -2.816 -0.575 -0.396) 2.901 10.082 ( -2.816 0.575 -0.396) 2.901 10.719 ( 7.382 -3.028 -1.432) 8.106 10.719 ( 7.382 3.028 -1.432) 8.106 10.995 ( -6.221 -1.200 -0.959) 6.408 10.995 ( -6.221 1.200 -0.959) 6.408 17.467 ( 1.053 -0.031 0.054) 1.055 17.467 ( 1.053 0.031 0.054) 1.055 17.511 ( -0.601 -0.095 -0.018) 0.609 17.511 ( -0.601 0.095 -0.018) 0.609 17.532 ( 0.892 -0.063 0.066) 0.897 17.532 ( 0.892 0.063 0.066) 0.897 17.585 ( -1.209 -0.334 -0.109) 1.259 17.585 ( -1.209 0.334 -0.109) 1.259 22.070 ( 1.045 -7.770 -0.356) 7.848 22.070 ( 1.045 7.770 -0.356) 7.848 22.109 ( -0.898 -8.546 -0.887) 8.638 22.109 ( -0.898 8.546 -0.887) 8.639 25.995 ( 0.056 -2.073 0.050) 2.074 25.995 ( 0.056 2.073 0.050) 2.074 26.002 ( -0.305 -2.146 0.061) 2.168 26.002 ( -0.305 2.146 0.061) 2.168 27.278 ( 4.653 -0.787 0.016) 4.719 27.278 ( 4.653 0.787 0.016) 4.719 27.482 ( -5.439 -1.070 0.553) 5.571 27.482 ( -5.439 1.070 0.553) 5.571 31.795 ( 0.825 -0.217 0.101) 0.859 31.795 ( 0.825 0.217 0.101) 0.859 31.826 ( -0.744 -0.220 0.001) 0.775 31.826 ( -0.744 0.220 0.001) 0.775 51.421 ( 1.016 -1.635 0.058) 1.926 51.421 ( 1.016 1.635 0.058) 1.926 51.467 ( -1.274 -2.260 0.171) 2.600 51.467 ( -1.274 2.260 0.171) 2.600 ======================= Grid point 265 (96/96) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( -6.051 -3.390 2.425) 7.348 3.685 ( -1.539 -1.711 2.425) 3.343 3.685 ( 1.539 1.712 2.425) 3.343 3.685 ( 6.051 3.390 2.425) 7.348 4.663 ( -3.413 -13.764 0.901) 14.210 4.663 ( 2.532 -13.717 0.901) 13.977 4.663 ( -2.532 13.717 0.901) 13.977 4.663 ( 3.413 13.764 0.901) 14.210 4.878 ( -4.899 -2.961 -4.162) 7.078 4.878 ( 3.630 -2.462 -4.162) 6.047 4.878 ( -3.630 2.462 -4.162) 6.047 4.878 ( 4.899 2.961 -4.162) 7.078 5.680 ( -3.271 -9.357 2.193) 10.152 5.680 ( 2.102 -9.273 2.193) 9.758 5.680 ( -2.102 9.273 2.193) 9.758 5.680 ( 3.271 9.357 2.193) 10.152 6.479 ( -0.903 -2.846 2.241) 3.733 6.479 ( 0.867 -2.843 2.241) 3.722 6.479 ( -0.867 2.843 2.241) 3.722 6.479 ( 0.903 2.846 2.241) 3.733 7.300 ( -2.397 -5.266 -1.375) 5.947 7.300 ( 2.361 -5.262 -1.375) 5.929 7.300 ( -2.361 5.262 -1.375) 5.929 7.300 ( 2.397 5.266 -1.375) 5.947 8.022 ( -2.851 -2.247 -0.709) 3.698 8.022 ( 1.258 -1.847 -0.709) 2.344 8.022 ( -1.258 1.847 -0.709) 2.345 8.022 ( 2.851 2.247 -0.709) 3.698 8.492 ( -0.547 -4.727 1.117) 4.888 8.492 ( 0.543 -4.727 1.117) 4.888 8.492 ( -0.543 4.727 1.117) 4.888 8.492 ( 0.547 4.728 1.117) 4.888 9.346 ( -3.469 -2.763 0.380) 4.451 9.346 ( 1.576 -2.291 0.380) 2.806 9.346 ( -1.576 2.291 0.380) 2.806 9.346 ( 3.469 2.763 0.380) 4.451 10.016 ( -3.334 -1.808 -0.319) 3.806 10.016 ( -2.452 -1.412 -0.319) 2.848 10.016 ( 2.452 1.412 -0.319) 2.848 10.016 ( 3.334 1.808 -0.319) 3.806 10.863 ( -5.661 -5.446 -1.169) 7.942 10.863 ( -2.547 -4.824 -1.169) 5.579 10.863 ( 2.547 4.824 -1.169) 5.579 10.863 ( 5.661 5.446 -1.169) 7.942 17.490 ( -1.085 -0.342 0.054) 1.139 17.490 ( -1.020 -0.287 0.054) 1.061 17.490 ( 1.020 0.287 0.054) 1.061 17.490 ( 1.085 0.342 0.054) 1.139 17.559 ( -1.058 -0.936 -0.044) 1.413 17.559 ( -0.779 -0.865 -0.044) 1.165 17.559 ( 0.779 0.865 -0.044) 1.165 17.559 ( 1.058 0.936 -0.044) 1.413 22.090 ( -0.623 -15.303 -0.637) 15.329 22.090 ( 0.565 -15.302 -0.637) 15.326 22.090 ( -0.565 15.302 -0.637) 15.326 22.090 ( 0.623 15.303 -0.637) 15.329 25.997 ( -0.052 -9.080 0.087) 9.080 25.997 ( 0.049 -9.080 0.087) 9.080 25.997 ( -0.049 9.080 0.087) 9.080 25.997 ( 0.052 9.080 0.087) 9.080 27.376 ( -5.832 -1.020 0.262) 5.926 27.376 ( -5.785 0.951 0.262) 5.869 27.376 ( 5.785 -0.951 0.262) 5.869 27.376 ( 5.832 1.020 0.262) 5.927 31.811 ( -0.393 -1.356 0.058) 1.413 31.811 ( -0.145 -1.343 0.058) 1.353 31.811 ( 0.146 1.343 0.058) 1.353 31.811 ( 0.393 1.356 0.058) 1.413 51.443 ( -0.835 -3.741 0.109) 3.835 51.443 ( 0.499 -3.726 0.109) 3.761 51.443 ( -0.499 3.726 0.109) 3.761 51.443 ( 0.835 3.741 0.109) 3.835 =================== 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 3/30240 10.0 726.890 276.000 279.413 0.000 0.000 0.000 3/30240 20.0 224.256 262.511 170.098 0.000 0.000 0.000 3/30240 30.0 93.905 175.435 90.910 0.000 0.000 0.000 3/30240 40.0 50.071 112.588 51.108 0.000 0.000 0.000 3/30240 50.0 31.451 76.989 32.206 0.000 0.000 0.000 3/30240 60.0 22.079 56.365 22.410 0.000 0.000 0.000 3/30240 70.0 16.737 43.707 16.804 0.000 0.000 0.000 3/30240 80.0 13.395 35.456 13.315 0.000 0.000 0.000 3/30240 90.0 11.149 29.774 10.988 0.000 0.000 0.000 3/30240 100.0 9.551 25.672 9.348 0.000 0.000 0.000 3/30240 110.0 8.362 22.588 8.138 0.000 0.000 0.000 3/30240 120.0 7.445 20.190 7.212 0.000 0.000 0.000 3/30240 130.0 6.715 18.272 6.481 0.000 0.000 0.000 3/30240 140.0 6.120 16.701 5.888 0.000 0.000 0.000 3/30240 150.0 5.625 15.388 5.398 0.000 0.000 0.000 3/30240 160.0 5.205 14.273 4.985 0.000 0.000 0.000 3/30240 170.0 4.845 13.313 4.633 0.000 0.000 0.000 3/30240 180.0 4.533 12.476 4.327 0.000 0.000 0.000 3/30240 190.0 4.258 11.740 4.060 0.000 0.000 0.000 3/30240 200.0 4.014 11.086 3.825 0.000 0.000 0.000 3/30240 210.0 3.797 10.502 3.615 0.000 0.000 0.000 3/30240 220.0 3.602 9.976 3.427 0.000 0.000 0.000 3/30240 230.0 3.426 9.501 3.257 0.000 0.000 0.000 3/30240 240.0 3.266 9.068 3.104 0.000 0.000 0.000 3/30240 250.0 3.120 8.673 2.964 0.000 0.000 0.000 3/30240 260.0 2.987 8.311 2.837 0.000 0.000 0.000 3/30240 270.0 2.864 7.977 2.719 0.000 0.000 0.000 3/30240 280.0 2.751 7.670 2.611 0.000 0.000 0.000 3/30240 290.0 2.647 7.385 2.512 0.000 0.000 0.000 3/30240 300.0 2.550 7.121 2.419 0.000 0.000 0.000 3/30240 310.0 2.460 6.874 2.334 0.000 0.000 0.000 3/30240 320.0 2.376 6.645 2.254 0.000 0.000 0.000 3/30240 330.0 2.297 6.430 2.179 0.000 0.000 0.000 3/30240 340.0 2.224 6.229 2.109 0.000 0.000 0.000 3/30240 350.0 2.155 6.040 2.044 0.000 0.000 0.000 3/30240 360.0 2.090 5.862 1.983 0.000 0.000 0.000 3/30240 370.0 2.029 5.695 1.925 0.000 0.000 0.000 3/30240 380.0 1.972 5.537 1.870 0.000 0.000 0.000 3/30240 390.0 1.918 5.388 1.819 0.000 0.000 0.000 3/30240 400.0 1.866 5.246 1.770 0.000 0.000 0.000 3/30240 410.0 1.818 5.112 1.724 0.000 0.000 0.000 3/30240 420.0 1.772 4.985 1.681 0.000 0.000 0.000 3/30240 430.0 1.728 4.864 1.639 0.000 0.000 0.000 3/30240 440.0 1.686 4.749 1.600 0.000 0.000 0.000 3/30240 450.0 1.647 4.639 1.562 0.000 0.000 0.000 3/30240 460.0 1.609 4.535 1.527 0.000 0.000 0.000 3/30240 470.0 1.573 4.435 1.492 0.000 0.000 0.000 3/30240 480.0 1.538 4.340 1.460 0.000 0.000 0.000 3/30240 490.0 1.505 4.248 1.429 0.000 0.000 0.000 3/30240 500.0 1.474 4.161 1.399 0.000 0.000 0.000 3/30240 510.0 1.444 4.077 1.370 0.000 0.000 0.000 3/30240 520.0 1.415 3.997 1.343 0.000 0.000 0.000 3/30240 530.0 1.387 3.920 1.317 0.000 0.000 0.000 3/30240 540.0 1.360 3.845 1.291 0.000 0.000 0.000 3/30240 550.0 1.335 3.774 1.267 0.000 0.000 0.000 3/30240 560.0 1.310 3.705 1.244 0.000 0.000 0.000 3/30240 570.0 1.286 3.639 1.221 0.000 0.000 0.000 3/30240 580.0 1.263 3.575 1.200 0.000 0.000 0.000 3/30240 590.0 1.241 3.514 1.179 0.000 0.000 0.000 3/30240 600.0 1.220 3.455 1.159 0.000 0.000 0.000 3/30240 610.0 1.199 3.397 1.139 0.000 0.000 0.000 3/30240 620.0 1.179 3.342 1.120 0.000 0.000 0.000 3/30240 630.0 1.160 3.288 1.102 0.000 0.000 0.000 3/30240 640.0 1.142 3.237 1.085 0.000 0.000 0.000 3/30240 650.0 1.124 3.187 1.068 0.000 0.000 0.000 3/30240 660.0 1.106 3.138 1.051 0.000 0.000 0.000 3/30240 670.0 1.089 3.091 1.035 0.000 0.000 0.000 3/30240 680.0 1.073 3.045 1.020 0.000 0.000 0.000 3/30240 690.0 1.057 3.001 1.005 0.000 0.000 0.000 3/30240 700.0 1.042 2.958 0.990 0.000 0.000 0.000 3/30240 710.0 1.027 2.917 0.976 0.000 0.000 0.000 3/30240 720.0 1.012 2.876 0.963 0.000 0.000 0.000 3/30240 730.0 0.998 2.837 0.949 0.000 0.000 0.000 3/30240 740.0 0.985 2.799 0.936 0.000 0.000 0.000 3/30240 750.0 0.971 2.761 0.924 0.000 0.000 0.000 3/30240 760.0 0.958 2.725 0.912 0.000 0.000 0.000 3/30240 770.0 0.946 2.690 0.900 0.000 0.000 0.000 3/30240 780.0 0.934 2.656 0.888 0.000 0.000 0.000 3/30240 790.0 0.922 2.622 0.877 0.000 0.000 0.000 3/30240 800.0 0.910 2.590 0.866 0.000 0.000 0.000 3/30240 810.0 0.899 2.558 0.855 0.000 0.000 0.000 3/30240 820.0 0.888 2.527 0.845 0.000 0.000 0.000 3/30240 830.0 0.877 2.497 0.835 0.000 0.000 0.000 3/30240 840.0 0.866 2.468 0.825 0.000 0.000 0.000 3/30240 850.0 0.856 2.439 0.815 0.000 0.000 0.000 3/30240 860.0 0.846 2.411 0.806 0.000 0.000 0.000 3/30240 870.0 0.836 2.384 0.796 0.000 0.000 0.000 3/30240 880.0 0.827 2.357 0.787 0.000 0.000 0.000 3/30240 890.0 0.818 2.331 0.779 0.000 0.000 0.000 3/30240 900.0 0.808 2.306 0.770 0.000 0.000 0.000 3/30240 910.0 0.800 2.281 0.762 0.000 0.000 0.000 3/30240 920.0 0.791 2.256 0.753 0.000 0.000 0.000 3/30240 930.0 0.782 2.232 0.745 0.000 0.000 0.000 3/30240 940.0 0.774 2.209 0.738 0.000 0.000 0.000 3/30240 950.0 0.766 2.186 0.730 0.000 0.000 0.000 3/30240 960.0 0.758 2.164 0.722 0.000 0.000 0.000 3/30240 970.0 0.750 2.142 0.715 0.000 0.000 0.000 3/30240 980.0 0.742 2.121 0.708 0.000 0.000 0.000 3/30240 990.0 0.735 2.100 0.701 0.000 0.000 0.000 3/30240 1000.0 0.728 2.079 0.694 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m6145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:53:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|