----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:09:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.151615261778526 0.000000000000000 0.000000000000000 b 0.000000000000000 7.445854629999999 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): *1 Na 0.44109421975951 0.49476480360275 0.75717856270731 22.990 2 Na 0.55890578024049 0.99476480360275 0.74282143729269 22.990 3 Na 0.55890578024049 0.50523519639725 0.24282143729269 22.990 4 Na 0.44109421975951 0.00523519639725 0.25717856270731 22.990 *5 Na 0.74963240048044 0.03162085034151 0.58377330345317 22.990 6 Na 0.25036759951956 0.53162085034151 0.91622669654683 22.990 7 Na 0.25036759951956 0.96837914965849 0.41622669654683 22.990 8 Na 0.74963240048044 0.46837914965849 0.08377330345317 22.990 *9 Na 0.91399705952588 0.51536454266753 0.58841578997305 22.990 10 Na 0.08600294047412 0.01536454266753 0.91158421002695 22.990 11 Na 0.08600294047412 0.48463545733247 0.41158421002695 22.990 12 Na 0.91399705952588 0.98463545733247 0.08841578997305 22.990 *13 Na 0.84261733373177 0.66341558813590 0.91972037522123 22.990 14 Na 0.15738266626823 0.16341558813590 0.58027962477877 22.990 15 Na 0.15738266626823 0.33658441186410 0.08027962477877 22.990 16 Na 0.84261733373177 0.83658441186410 0.41972037522123 22.990 *17 Na 0.16633830159819 0.84774107605711 0.74125502485828 22.990 18 Na 0.83366169840181 0.34774107605711 0.75874497514172 22.990 19 Na 0.83366169840181 0.15225892394289 0.25874497514172 22.990 20 Na 0.16633830159819 0.65225892394289 0.24125502485828 22.990 *21 Si 0.51509922765873 0.85967725330831 0.08516889234023 28.085 22 Si 0.48490077234127 0.35967725330831 0.41483110765977 28.085 23 Si 0.48490077234127 0.14032274669169 0.91483110765977 28.085 24 Si 0.51509922765873 0.64032274669169 0.58516889234023 28.085 *25 As 0.24044067830316 0.76120492985760 0.58053470878465 74.922 26 As 0.75955932169684 0.26120492985760 0.91946529121535 74.922 27 As 0.75955932169684 0.23879507014240 0.41946529121535 74.922 28 As 0.24044067830316 0.73879507014240 0.08053470878465 74.922 *29 As 0.80936137997723 0.73446329297942 0.72589909199487 74.922 30 As 0.19063862002277 0.23446329297942 0.77410090800513 74.922 31 As 0.19063862002277 0.26553670702058 0.27410090800513 74.922 32 As 0.80936137997723 0.76553670702058 0.22589909199487 74.922 *33 As 0.52327519727549 0.81486421029182 0.93393500329339 74.922 34 As 0.47672480272451 0.31486421029182 0.56606499670661 74.922 35 As 0.47672480272451 0.18513578970818 0.06606499670661 74.922 36 As 0.52327519727549 0.68513578970818 0.43393500329339 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.151615261778526 0.000000000000000 0.000000000000000 b 0.000000000000000 7.445854629999999 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): *1 Na 0.44109421975951 0.49476480360275 0.75717856270731 22.990 > 1 2 Na 0.55890578024049 0.99476480360275 0.74282143729269 22.990 > 2 3 Na 0.55890578024049 0.50523519639725 0.24282143729269 22.990 > 3 4 Na 0.44109421975951 0.00523519639725 0.25717856270731 22.990 > 4 *5 Na 0.74963240048044 0.03162085034151 0.58377330345317 22.990 > 5 6 Na 0.25036759951956 0.53162085034151 0.91622669654683 22.990 > 6 7 Na 0.25036759951956 0.96837914965849 0.41622669654683 22.990 > 7 8 Na 0.74963240048044 0.46837914965849 0.08377330345317 22.990 > 8 *9 Na 0.91399705952588 0.51536454266753 0.58841578997305 22.990 > 9 10 Na 0.08600294047412 0.01536454266753 0.91158421002695 22.990 > 10 11 Na 0.08600294047412 0.48463545733247 0.41158421002695 22.990 > 11 12 Na 0.91399705952588 0.98463545733247 0.08841578997305 22.990 > 12 *13 Na 0.84261733373177 0.66341558813590 0.91972037522123 22.990 > 13 14 Na 0.15738266626823 0.16341558813590 0.58027962477877 22.990 > 14 15 Na 0.15738266626823 0.33658441186410 0.08027962477877 22.990 > 15 16 Na 0.84261733373177 0.83658441186410 0.41972037522123 22.990 > 16 *17 Na 0.16633830159819 0.84774107605711 0.74125502485828 22.990 > 17 18 Na 0.83366169840181 0.34774107605711 0.75874497514172 22.990 > 18 19 Na 0.83366169840181 0.15225892394289 0.25874497514172 22.990 > 19 20 Na 0.16633830159819 0.65225892394289 0.24125502485828 22.990 > 20 *21 Si 0.51509922765873 0.85967725330831 0.08516889234023 28.085 > 21 22 Si 0.48490077234127 0.35967725330831 0.41483110765977 28.085 > 22 23 Si 0.48490077234127 0.14032274669169 0.91483110765977 28.085 > 23 24 Si 0.51509922765873 0.64032274669169 0.58516889234023 28.085 > 24 *25 As 0.24044067830316 0.76120492985760 0.58053470878465 74.922 > 25 26 As 0.75955932169684 0.26120492985760 0.91946529121535 74.922 > 26 27 As 0.75955932169684 0.23879507014240 0.41946529121535 74.922 > 27 28 As 0.24044067830316 0.73879507014240 0.08053470878465 74.922 > 28 *29 As 0.80936137997723 0.73446329297942 0.72589909199487 74.922 > 29 30 As 0.19063862002277 0.23446329297942 0.77410090800513 74.922 > 30 31 As 0.19063862002277 0.26553670702058 0.27410090800513 74.922 > 31 32 As 0.80936137997723 0.76553670702058 0.22589909199487 74.922 > 32 *33 As 0.52327519727549 0.81486421029182 0.93393500329339 74.922 > 33 34 As 0.47672480272451 0.31486421029182 0.56606499670661 74.922 > 34 35 As 0.47672480272451 0.18513578970818 0.06606499670661 74.922 > 35 36 As 0.52327519727549 0.68513578970818 0.43393500329339 74.922 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.303230523557051 0.000000000000000 0.000000000000000 b 0.000000000000000 14.891709259999997 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): *1 Na 0.22054710987976 0.24738240180138 0.75717856270731 22.990 > 1 2 Na 0.72054710987976 0.24738240180138 0.75717856270731 22.990 > 1 3 Na 0.22054710987976 0.74738240180138 0.75717856270731 22.990 > 1 4 Na 0.72054710987976 0.74738240180138 0.75717856270731 22.990 > 1 5 Na 0.27945289012024 0.49738240180138 0.74282143729269 22.990 > 2 6 Na 0.77945289012024 0.49738240180138 0.74282143729269 22.990 > 2 7 Na 0.27945289012024 0.99738240180138 0.74282143729269 22.990 > 2 8 Na 0.77945289012024 0.99738240180138 0.74282143729269 22.990 > 2 9 Na 0.27945289012024 0.25261759819862 0.24282143729269 22.990 > 3 10 Na 0.77945289012024 0.25261759819862 0.24282143729269 22.990 > 3 11 Na 0.27945289012024 0.75261759819862 0.24282143729269 22.990 > 3 12 Na 0.77945289012024 0.75261759819862 0.24282143729269 22.990 > 3 13 Na 0.22054710987976 0.00261759819862 0.25717856270731 22.990 > 4 14 Na 0.72054710987976 0.00261759819862 0.25717856270731 22.990 > 4 15 Na 0.22054710987976 0.50261759819862 0.25717856270731 22.990 > 4 16 Na 0.72054710987976 0.50261759819862 0.25717856270731 22.990 > 4 *17 Na 0.37481620024022 0.01581042517075 0.58377330345317 22.990 > 5 18 Na 0.87481620024022 0.01581042517075 0.58377330345317 22.990 > 5 19 Na 0.37481620024022 0.51581042517075 0.58377330345317 22.990 > 5 20 Na 0.87481620024022 0.51581042517075 0.58377330345317 22.990 > 5 21 Na 0.12518379975978 0.26581042517075 0.91622669654683 22.990 > 6 22 Na 0.62518379975978 0.26581042517075 0.91622669654683 22.990 > 6 23 Na 0.12518379975978 0.76581042517075 0.91622669654683 22.990 > 6 24 Na 0.62518379975978 0.76581042517075 0.91622669654683 22.990 > 6 25 Na 0.12518379975978 0.48418957482925 0.41622669654683 22.990 > 7 26 Na 0.62518379975978 0.48418957482925 0.41622669654683 22.990 > 7 27 Na 0.12518379975978 0.98418957482925 0.41622669654683 22.990 > 7 28 Na 0.62518379975978 0.98418957482925 0.41622669654683 22.990 > 7 29 Na 0.37481620024022 0.23418957482925 0.08377330345317 22.990 > 8 30 Na 0.87481620024022 0.23418957482925 0.08377330345317 22.990 > 8 31 Na 0.37481620024022 0.73418957482925 0.08377330345317 22.990 > 8 32 Na 0.87481620024022 0.73418957482925 0.08377330345317 22.990 > 8 *33 Na 0.45699852976294 0.25768227133377 0.58841578997305 22.990 > 9 34 Na 0.95699852976294 0.25768227133377 0.58841578997305 22.990 > 9 35 Na 0.45699852976294 0.75768227133377 0.58841578997305 22.990 > 9 36 Na 0.95699852976294 0.75768227133377 0.58841578997305 22.990 > 9 37 Na 0.04300147023706 0.00768227133377 0.91158421002695 22.990 > 10 38 Na 0.54300147023706 0.00768227133377 0.91158421002695 22.990 > 10 39 Na 0.04300147023706 0.50768227133377 0.91158421002695 22.990 > 10 40 Na 0.54300147023706 0.50768227133377 0.91158421002695 22.990 > 10 41 Na 0.04300147023706 0.24231772866623 0.41158421002695 22.990 > 11 42 Na 0.54300147023706 0.24231772866623 0.41158421002695 22.990 > 11 43 Na 0.04300147023706 0.74231772866623 0.41158421002695 22.990 > 11 44 Na 0.54300147023706 0.74231772866623 0.41158421002695 22.990 > 11 45 Na 0.45699852976294 0.49231772866623 0.08841578997305 22.990 > 12 46 Na 0.95699852976294 0.49231772866623 0.08841578997305 22.990 > 12 47 Na 0.45699852976294 0.99231772866623 0.08841578997305 22.990 > 12 48 Na 0.95699852976294 0.99231772866623 0.08841578997305 22.990 > 12 *49 Na 0.42130866686589 0.33170779406795 0.91972037522123 22.990 > 13 50 Na 0.92130866686589 0.33170779406795 0.91972037522123 22.990 > 13 51 Na 0.42130866686589 0.83170779406795 0.91972037522123 22.990 > 13 52 Na 0.92130866686589 0.83170779406795 0.91972037522123 22.990 > 13 53 Na 0.07869133313411 0.08170779406795 0.58027962477877 22.990 > 14 54 Na 0.57869133313411 0.08170779406795 0.58027962477877 22.990 > 14 55 Na 0.07869133313411 0.58170779406795 0.58027962477877 22.990 > 14 56 Na 0.57869133313411 0.58170779406795 0.58027962477877 22.990 > 14 57 Na 0.07869133313411 0.16829220593205 0.08027962477877 22.990 > 15 58 Na 0.57869133313411 0.16829220593205 0.08027962477877 22.990 > 15 59 Na 0.07869133313411 0.66829220593205 0.08027962477877 22.990 > 15 60 Na 0.57869133313411 0.66829220593205 0.08027962477877 22.990 > 15 61 Na 0.42130866686589 0.41829220593205 0.41972037522123 22.990 > 16 62 Na 0.92130866686589 0.41829220593205 0.41972037522123 22.990 > 16 63 Na 0.42130866686589 0.91829220593205 0.41972037522123 22.990 > 16 64 Na 0.92130866686589 0.91829220593205 0.41972037522123 22.990 > 16 *65 Na 0.08316915079909 0.42387053802856 0.74125502485828 22.990 > 17 66 Na 0.58316915079909 0.42387053802856 0.74125502485828 22.990 > 17 67 Na 0.08316915079909 0.92387053802856 0.74125502485828 22.990 > 17 68 Na 0.58316915079909 0.92387053802856 0.74125502485828 22.990 > 17 69 Na 0.41683084920091 0.17387053802856 0.75874497514172 22.990 > 18 70 Na 0.91683084920091 0.17387053802856 0.75874497514172 22.990 > 18 71 Na 0.41683084920091 0.67387053802856 0.75874497514172 22.990 > 18 72 Na 0.91683084920091 0.67387053802856 0.75874497514172 22.990 > 18 73 Na 0.41683084920091 0.07612946197144 0.25874497514172 22.990 > 19 74 Na 0.91683084920091 0.07612946197144 0.25874497514172 22.990 > 19 75 Na 0.41683084920091 0.57612946197144 0.25874497514172 22.990 > 19 76 Na 0.91683084920091 0.57612946197144 0.25874497514172 22.990 > 19 77 Na 0.08316915079909 0.32612946197144 0.24125502485828 22.990 > 20 78 Na 0.58316915079909 0.32612946197144 0.24125502485828 22.990 > 20 79 Na 0.08316915079909 0.82612946197144 0.24125502485828 22.990 > 20 80 Na 0.58316915079909 0.82612946197144 0.24125502485828 22.990 > 20 *81 Si 0.25754961382936 0.42983862665416 0.08516889234023 28.085 > 21 82 Si 0.75754961382936 0.42983862665416 0.08516889234023 28.085 > 21 83 Si 0.25754961382936 0.92983862665416 0.08516889234023 28.085 > 21 84 Si 0.75754961382936 0.92983862665416 0.08516889234023 28.085 > 21 85 Si 0.24245038617064 0.17983862665416 0.41483110765977 28.085 > 22 86 Si 0.74245038617064 0.17983862665416 0.41483110765977 28.085 > 22 87 Si 0.24245038617064 0.67983862665416 0.41483110765977 28.085 > 22 88 Si 0.74245038617064 0.67983862665416 0.41483110765977 28.085 > 22 89 Si 0.24245038617064 0.07016137334584 0.91483110765977 28.085 > 23 90 Si 0.74245038617064 0.07016137334584 0.91483110765977 28.085 > 23 91 Si 0.24245038617064 0.57016137334584 0.91483110765977 28.085 > 23 92 Si 0.74245038617064 0.57016137334584 0.91483110765977 28.085 > 23 93 Si 0.25754961382936 0.32016137334584 0.58516889234023 28.085 > 24 94 Si 0.75754961382936 0.32016137334584 0.58516889234023 28.085 > 24 95 Si 0.25754961382936 0.82016137334584 0.58516889234023 28.085 > 24 96 Si 0.75754961382936 0.82016137334584 0.58516889234023 28.085 > 24 *97 As 0.12022033915158 0.38060246492880 0.58053470878465 74.922 > 25 98 As 0.62022033915158 0.38060246492880 0.58053470878465 74.922 > 25 99 As 0.12022033915158 0.88060246492880 0.58053470878465 74.922 > 25 100 As 0.62022033915158 0.88060246492880 0.58053470878465 74.922 > 25 101 As 0.37977966084842 0.13060246492880 0.91946529121535 74.922 > 26 102 As 0.87977966084842 0.13060246492880 0.91946529121535 74.922 > 26 103 As 0.37977966084842 0.63060246492880 0.91946529121535 74.922 > 26 104 As 0.87977966084842 0.63060246492880 0.91946529121535 74.922 > 26 105 As 0.37977966084842 0.11939753507120 0.41946529121535 74.922 > 27 106 As 0.87977966084842 0.11939753507120 0.41946529121535 74.922 > 27 107 As 0.37977966084842 0.61939753507120 0.41946529121535 74.922 > 27 108 As 0.87977966084842 0.61939753507120 0.41946529121535 74.922 > 27 109 As 0.12022033915158 0.36939753507120 0.08053470878465 74.922 > 28 110 As 0.62022033915158 0.36939753507120 0.08053470878465 74.922 > 28 111 As 0.12022033915158 0.86939753507120 0.08053470878465 74.922 > 28 112 As 0.62022033915158 0.86939753507120 0.08053470878465 74.922 > 28 *113 As 0.40468068998862 0.36723164648971 0.72589909199487 74.922 > 29 114 As 0.90468068998862 0.36723164648971 0.72589909199487 74.922 > 29 115 As 0.40468068998862 0.86723164648971 0.72589909199487 74.922 > 29 116 As 0.90468068998862 0.86723164648971 0.72589909199487 74.922 > 29 117 As 0.09531931001138 0.11723164648971 0.77410090800513 74.922 > 30 118 As 0.59531931001138 0.11723164648971 0.77410090800513 74.922 > 30 119 As 0.09531931001138 0.61723164648971 0.77410090800513 74.922 > 30 120 As 0.59531931001138 0.61723164648971 0.77410090800513 74.922 > 30 121 As 0.09531931001138 0.13276835351029 0.27410090800513 74.922 > 31 122 As 0.59531931001138 0.13276835351029 0.27410090800513 74.922 > 31 123 As 0.09531931001138 0.63276835351029 0.27410090800513 74.922 > 31 124 As 0.59531931001138 0.63276835351029 0.27410090800513 74.922 > 31 125 As 0.40468068998862 0.38276835351029 0.22589909199487 74.922 > 32 126 As 0.90468068998862 0.38276835351029 0.22589909199487 74.922 > 32 127 As 0.40468068998862 0.88276835351029 0.22589909199487 74.922 > 32 128 As 0.90468068998862 0.88276835351029 0.22589909199487 74.922 > 32 *129 As 0.26163759863775 0.40743210514591 0.93393500329339 74.922 > 33 130 As 0.76163759863775 0.40743210514591 0.93393500329339 74.922 > 33 131 As 0.26163759863775 0.90743210514591 0.93393500329339 74.922 > 33 132 As 0.76163759863775 0.90743210514591 0.93393500329339 74.922 > 33 133 As 0.23836240136225 0.15743210514591 0.56606499670661 74.922 > 34 134 As 0.73836240136225 0.15743210514591 0.56606499670661 74.922 > 34 135 As 0.23836240136225 0.65743210514591 0.56606499670661 74.922 > 34 136 As 0.73836240136225 0.65743210514591 0.56606499670661 74.922 > 34 137 As 0.23836240136225 0.09256789485409 0.06606499670661 74.922 > 35 138 As 0.73836240136225 0.09256789485409 0.06606499670661 74.922 > 35 139 As 0.23836240136225 0.59256789485409 0.06606499670661 74.922 > 35 140 As 0.73836240136225 0.59256789485409 0.06606499670661 74.922 > 35 141 As 0.26163759863775 0.34256789485409 0.43393500329339 74.922 > 36 142 As 0.76163759863775 0.34256789485409 0.43393500329339 74.922 > 36 143 As 0.26163759863775 0.84256789485409 0.43393500329339 74.922 > 36 144 As 0.76163759863775 0.84256789485409 0.43393500329339 74.922 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5502054 0.0000000 0.0532619 0.0000000 10.0159439 0.0000000 0.0532386 0.0000000 9.7429126 -------------------------- Born effective charges -------------------------- 1 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 2 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 3 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 4 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 5 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 6 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 7 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 8 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 9 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 10 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 11 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 12 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 13 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 14 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 15 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 16 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 17 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 18 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 19 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 20 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 21 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 22 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 23 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 24 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 25 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 26 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 27 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 28 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 29 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 30 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 31 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 32 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 33 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 34 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 35 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 36 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.007 Solver_block: 200 / 1120 - Time: 1.791 Solver_block: 300 / 1120 - Time: 1.787 Solver_block: 400 / 1120 - Time: 1.797 Solver_block: 500 / 1120 - Time: 1.798 Solver_block: 600 / 1120 - Time: 1.787 Solver_block: 700 / 1120 - Time: 1.796 Solver_block: 800 / 1120 - Time: 1.792 Solver_block: 900 / 1120 - Time: 1.791 Solver_block: 1000 / 1120 - Time: 1.792 Solver_block: 1100 / 1120 - Time: 1.791 Solver_block: 1120 / 1120 - Time: 0.519 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.957 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 04:10:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:10:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.151615261778526 0.000000000000000 0.000000000000000 b 0.000000000000000 7.445854629999999 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): 1 Na 0.44109421975951 0.49476480360275 0.75717856270731 22.990 2 Na 0.55890578024049 0.99476480360275 0.74282143729269 22.990 3 Na 0.55890578024049 0.50523519639725 0.24282143729269 22.990 4 Na 0.44109421975951 0.00523519639725 0.25717856270731 22.990 5 Na 0.74963240048044 0.03162085034151 0.58377330345317 22.990 6 Na 0.25036759951956 0.53162085034151 0.91622669654683 22.990 7 Na 0.25036759951956 0.96837914965849 0.41622669654683 22.990 8 Na 0.74963240048044 0.46837914965849 0.08377330345317 22.990 9 Na 0.91399705952588 0.51536454266753 0.58841578997305 22.990 10 Na 0.08600294047412 0.01536454266753 0.91158421002695 22.990 11 Na 0.08600294047412 0.48463545733247 0.41158421002695 22.990 12 Na 0.91399705952588 0.98463545733247 0.08841578997305 22.990 13 Na 0.84261733373177 0.66341558813590 0.91972037522123 22.990 14 Na 0.15738266626823 0.16341558813590 0.58027962477877 22.990 15 Na 0.15738266626823 0.33658441186410 0.08027962477877 22.990 16 Na 0.84261733373177 0.83658441186410 0.41972037522123 22.990 17 Na 0.16633830159819 0.84774107605711 0.74125502485828 22.990 18 Na 0.83366169840181 0.34774107605711 0.75874497514172 22.990 19 Na 0.83366169840181 0.15225892394289 0.25874497514172 22.990 20 Na 0.16633830159819 0.65225892394289 0.24125502485828 22.990 21 Si 0.51509922765873 0.85967725330831 0.08516889234023 28.085 22 Si 0.48490077234127 0.35967725330831 0.41483110765977 28.085 23 Si 0.48490077234127 0.14032274669169 0.91483110765977 28.085 24 Si 0.51509922765873 0.64032274669169 0.58516889234023 28.085 25 As 0.24044067830316 0.76120492985760 0.58053470878465 74.922 26 As 0.75955932169684 0.26120492985760 0.91946529121535 74.922 27 As 0.75955932169684 0.23879507014240 0.41946529121535 74.922 28 As 0.24044067830316 0.73879507014240 0.08053470878465 74.922 29 As 0.80936137997723 0.73446329297942 0.72589909199487 74.922 30 As 0.19063862002277 0.23446329297942 0.77410090800513 74.922 31 As 0.19063862002277 0.26553670702058 0.27410090800513 74.922 32 As 0.80936137997723 0.76553670702058 0.22589909199487 74.922 33 As 0.52327519727549 0.81486421029182 0.93393500329339 74.922 34 As 0.47672480272451 0.31486421029182 0.56606499670661 74.922 35 As 0.47672480272451 0.18513578970818 0.06606499670661 74.922 36 As 0.52327519727549 0.68513578970818 0.43393500329339 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.303230523557051 0.000000000000000 0.000000000000000 b 0.000000000000000 14.891709259999997 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): 1 Na 0.22054710987976 0.24738240180138 0.75717856270731 22.990 > 1 2 Na 0.72054710987976 0.24738240180138 0.75717856270731 22.990 > 1 3 Na 0.22054710987976 0.74738240180138 0.75717856270731 22.990 > 1 4 Na 0.72054710987976 0.74738240180138 0.75717856270731 22.990 > 1 5 Na 0.27945289012024 0.49738240180138 0.74282143729269 22.990 > 5 6 Na 0.77945289012024 0.49738240180138 0.74282143729269 22.990 > 5 7 Na 0.27945289012024 0.99738240180138 0.74282143729269 22.990 > 5 8 Na 0.77945289012024 0.99738240180138 0.74282143729269 22.990 > 5 9 Na 0.27945289012024 0.25261759819862 0.24282143729269 22.990 > 9 10 Na 0.77945289012024 0.25261759819862 0.24282143729269 22.990 > 9 11 Na 0.27945289012024 0.75261759819862 0.24282143729269 22.990 > 9 12 Na 0.77945289012024 0.75261759819862 0.24282143729269 22.990 > 9 13 Na 0.22054710987976 0.00261759819862 0.25717856270731 22.990 > 13 14 Na 0.72054710987976 0.00261759819862 0.25717856270731 22.990 > 13 15 Na 0.22054710987976 0.50261759819862 0.25717856270731 22.990 > 13 16 Na 0.72054710987976 0.50261759819862 0.25717856270731 22.990 > 13 17 Na 0.37481620024022 0.01581042517075 0.58377330345317 22.990 > 17 18 Na 0.87481620024022 0.01581042517075 0.58377330345317 22.990 > 17 19 Na 0.37481620024022 0.51581042517075 0.58377330345317 22.990 > 17 20 Na 0.87481620024022 0.51581042517075 0.58377330345317 22.990 > 17 21 Na 0.12518379975978 0.26581042517075 0.91622669654683 22.990 > 21 22 Na 0.62518379975978 0.26581042517075 0.91622669654683 22.990 > 21 23 Na 0.12518379975978 0.76581042517075 0.91622669654683 22.990 > 21 24 Na 0.62518379975978 0.76581042517075 0.91622669654683 22.990 > 21 25 Na 0.12518379975978 0.48418957482925 0.41622669654683 22.990 > 25 26 Na 0.62518379975978 0.48418957482925 0.41622669654683 22.990 > 25 27 Na 0.12518379975978 0.98418957482925 0.41622669654683 22.990 > 25 28 Na 0.62518379975978 0.98418957482925 0.41622669654683 22.990 > 25 29 Na 0.37481620024022 0.23418957482925 0.08377330345317 22.990 > 29 30 Na 0.87481620024022 0.23418957482925 0.08377330345317 22.990 > 29 31 Na 0.37481620024022 0.73418957482925 0.08377330345317 22.990 > 29 32 Na 0.87481620024022 0.73418957482925 0.08377330345317 22.990 > 29 33 Na 0.45699852976294 0.25768227133377 0.58841578997305 22.990 > 33 34 Na 0.95699852976294 0.25768227133377 0.58841578997305 22.990 > 33 35 Na 0.45699852976294 0.75768227133377 0.58841578997305 22.990 > 33 36 Na 0.95699852976294 0.75768227133377 0.58841578997305 22.990 > 33 37 Na 0.04300147023706 0.00768227133377 0.91158421002695 22.990 > 37 38 Na 0.54300147023706 0.00768227133377 0.91158421002695 22.990 > 37 39 Na 0.04300147023706 0.50768227133377 0.91158421002695 22.990 > 37 40 Na 0.54300147023706 0.50768227133377 0.91158421002695 22.990 > 37 41 Na 0.04300147023706 0.24231772866623 0.41158421002695 22.990 > 41 42 Na 0.54300147023706 0.24231772866623 0.41158421002695 22.990 > 41 43 Na 0.04300147023706 0.74231772866623 0.41158421002695 22.990 > 41 44 Na 0.54300147023706 0.74231772866623 0.41158421002695 22.990 > 41 45 Na 0.45699852976294 0.49231772866623 0.08841578997305 22.990 > 45 46 Na 0.95699852976294 0.49231772866623 0.08841578997305 22.990 > 45 47 Na 0.45699852976294 0.99231772866623 0.08841578997305 22.990 > 45 48 Na 0.95699852976294 0.99231772866623 0.08841578997305 22.990 > 45 49 Na 0.42130866686589 0.33170779406795 0.91972037522123 22.990 > 49 50 Na 0.92130866686589 0.33170779406795 0.91972037522123 22.990 > 49 51 Na 0.42130866686589 0.83170779406795 0.91972037522123 22.990 > 49 52 Na 0.92130866686589 0.83170779406795 0.91972037522123 22.990 > 49 53 Na 0.07869133313411 0.08170779406795 0.58027962477877 22.990 > 53 54 Na 0.57869133313411 0.08170779406795 0.58027962477877 22.990 > 53 55 Na 0.07869133313411 0.58170779406795 0.58027962477877 22.990 > 53 56 Na 0.57869133313411 0.58170779406795 0.58027962477877 22.990 > 53 57 Na 0.07869133313411 0.16829220593205 0.08027962477877 22.990 > 57 58 Na 0.57869133313411 0.16829220593205 0.08027962477877 22.990 > 57 59 Na 0.07869133313411 0.66829220593205 0.08027962477877 22.990 > 57 60 Na 0.57869133313411 0.66829220593205 0.08027962477877 22.990 > 57 61 Na 0.42130866686589 0.41829220593205 0.41972037522123 22.990 > 61 62 Na 0.92130866686589 0.41829220593205 0.41972037522123 22.990 > 61 63 Na 0.42130866686589 0.91829220593205 0.41972037522123 22.990 > 61 64 Na 0.92130866686589 0.91829220593205 0.41972037522123 22.990 > 61 65 Na 0.08316915079909 0.42387053802856 0.74125502485828 22.990 > 65 66 Na 0.58316915079909 0.42387053802856 0.74125502485828 22.990 > 65 67 Na 0.08316915079909 0.92387053802856 0.74125502485828 22.990 > 65 68 Na 0.58316915079909 0.92387053802856 0.74125502485828 22.990 > 65 69 Na 0.41683084920091 0.17387053802856 0.75874497514172 22.990 > 69 70 Na 0.91683084920091 0.17387053802856 0.75874497514172 22.990 > 69 71 Na 0.41683084920091 0.67387053802856 0.75874497514172 22.990 > 69 72 Na 0.91683084920091 0.67387053802856 0.75874497514172 22.990 > 69 73 Na 0.41683084920091 0.07612946197144 0.25874497514172 22.990 > 73 74 Na 0.91683084920091 0.07612946197144 0.25874497514172 22.990 > 73 75 Na 0.41683084920091 0.57612946197144 0.25874497514172 22.990 > 73 76 Na 0.91683084920091 0.57612946197144 0.25874497514172 22.990 > 73 77 Na 0.08316915079909 0.32612946197144 0.24125502485828 22.990 > 77 78 Na 0.58316915079909 0.32612946197144 0.24125502485828 22.990 > 77 79 Na 0.08316915079909 0.82612946197144 0.24125502485828 22.990 > 77 80 Na 0.58316915079909 0.82612946197144 0.24125502485828 22.990 > 77 81 Si 0.25754961382936 0.42983862665416 0.08516889234023 28.085 > 81 82 Si 0.75754961382936 0.42983862665416 0.08516889234023 28.085 > 81 83 Si 0.25754961382936 0.92983862665416 0.08516889234023 28.085 > 81 84 Si 0.75754961382936 0.92983862665416 0.08516889234023 28.085 > 81 85 Si 0.24245038617064 0.17983862665416 0.41483110765977 28.085 > 85 86 Si 0.74245038617064 0.17983862665416 0.41483110765977 28.085 > 85 87 Si 0.24245038617064 0.67983862665416 0.41483110765977 28.085 > 85 88 Si 0.74245038617064 0.67983862665416 0.41483110765977 28.085 > 85 89 Si 0.24245038617064 0.07016137334584 0.91483110765977 28.085 > 89 90 Si 0.74245038617064 0.07016137334584 0.91483110765977 28.085 > 89 91 Si 0.24245038617064 0.57016137334584 0.91483110765977 28.085 > 89 92 Si 0.74245038617064 0.57016137334584 0.91483110765977 28.085 > 89 93 Si 0.25754961382936 0.32016137334584 0.58516889234023 28.085 > 93 94 Si 0.75754961382936 0.32016137334584 0.58516889234023 28.085 > 93 95 Si 0.25754961382936 0.82016137334584 0.58516889234023 28.085 > 93 96 Si 0.75754961382936 0.82016137334584 0.58516889234023 28.085 > 93 97 As 0.12022033915158 0.38060246492880 0.58053470878465 74.922 > 97 98 As 0.62022033915158 0.38060246492880 0.58053470878465 74.922 > 97 99 As 0.12022033915158 0.88060246492880 0.58053470878465 74.922 > 97 100 As 0.62022033915158 0.88060246492880 0.58053470878465 74.922 > 97 101 As 0.37977966084842 0.13060246492880 0.91946529121535 74.922 > 101 102 As 0.87977966084842 0.13060246492880 0.91946529121535 74.922 > 101 103 As 0.37977966084842 0.63060246492880 0.91946529121535 74.922 > 101 104 As 0.87977966084842 0.63060246492880 0.91946529121535 74.922 > 101 105 As 0.37977966084842 0.11939753507120 0.41946529121535 74.922 > 105 106 As 0.87977966084842 0.11939753507120 0.41946529121535 74.922 > 105 107 As 0.37977966084842 0.61939753507120 0.41946529121535 74.922 > 105 108 As 0.87977966084842 0.61939753507120 0.41946529121535 74.922 > 105 109 As 0.12022033915158 0.36939753507120 0.08053470878465 74.922 > 109 110 As 0.62022033915158 0.36939753507120 0.08053470878465 74.922 > 109 111 As 0.12022033915158 0.86939753507120 0.08053470878465 74.922 > 109 112 As 0.62022033915158 0.86939753507120 0.08053470878465 74.922 > 109 113 As 0.40468068998862 0.36723164648971 0.72589909199487 74.922 > 113 114 As 0.90468068998862 0.36723164648971 0.72589909199487 74.922 > 113 115 As 0.40468068998862 0.86723164648971 0.72589909199487 74.922 > 113 116 As 0.90468068998862 0.86723164648971 0.72589909199487 74.922 > 113 117 As 0.09531931001138 0.11723164648971 0.77410090800513 74.922 > 117 118 As 0.59531931001138 0.11723164648971 0.77410090800513 74.922 > 117 119 As 0.09531931001138 0.61723164648971 0.77410090800513 74.922 > 117 120 As 0.59531931001138 0.61723164648971 0.77410090800513 74.922 > 117 121 As 0.09531931001138 0.13276835351029 0.27410090800513 74.922 > 121 122 As 0.59531931001138 0.13276835351029 0.27410090800513 74.922 > 121 123 As 0.09531931001138 0.63276835351029 0.27410090800513 74.922 > 121 124 As 0.59531931001138 0.63276835351029 0.27410090800513 74.922 > 121 125 As 0.40468068998862 0.38276835351029 0.22589909199487 74.922 > 125 126 As 0.90468068998862 0.38276835351029 0.22589909199487 74.922 > 125 127 As 0.40468068998862 0.88276835351029 0.22589909199487 74.922 > 125 128 As 0.90468068998862 0.88276835351029 0.22589909199487 74.922 > 125 129 As 0.26163759863775 0.40743210514591 0.93393500329339 74.922 > 129 130 As 0.76163759863775 0.40743210514591 0.93393500329339 74.922 > 129 131 As 0.26163759863775 0.90743210514591 0.93393500329339 74.922 > 129 132 As 0.76163759863775 0.90743210514591 0.93393500329339 74.922 > 129 133 As 0.23836240136225 0.15743210514591 0.56606499670661 74.922 > 133 134 As 0.73836240136225 0.15743210514591 0.56606499670661 74.922 > 133 135 As 0.23836240136225 0.65743210514591 0.56606499670661 74.922 > 133 136 As 0.73836240136225 0.65743210514591 0.56606499670661 74.922 > 133 137 As 0.23836240136225 0.09256789485409 0.06606499670661 74.922 > 137 138 As 0.73836240136225 0.09256789485409 0.06606499670661 74.922 > 137 139 As 0.23836240136225 0.59256789485409 0.06606499670661 74.922 > 137 140 As 0.73836240136225 0.59256789485409 0.06606499670661 74.922 > 137 141 As 0.26163759863775 0.34256789485409 0.43393500329339 74.922 > 141 142 As 0.76163759863775 0.34256789485409 0.43393500329339 74.922 > 141 143 As 0.26163759863775 0.84256789485409 0.43393500329339 74.922 > 141 144 As 0.76163759863775 0.84256789485409 0.43393500329339 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5502054 0.0000000 0.0532619 0.0000000 10.0159439 0.0000000 0.0532386 0.0000000 9.7429126 -------------------------- Born effective charges -------------------------- 1 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 2 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 3 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 4 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 5 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 6 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 7 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 8 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 9 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 10 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 11 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 12 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 13 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 14 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 15 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 16 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 17 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 18 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 19 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 20 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 21 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 22 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 23 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 24 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 25 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 26 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 27 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 28 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 29 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 30 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 31 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 32 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 33 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 34 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 35 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 36 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 04:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:11:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.151615261778526 0.000000000000000 0.000000000000000 b 0.000000000000000 7.445854629999999 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): 1 Na 0.44109421975951 0.49476480360275 0.75717856270731 22.990 2 Na 0.55890578024049 0.99476480360275 0.74282143729269 22.990 3 Na 0.55890578024049 0.50523519639725 0.24282143729269 22.990 4 Na 0.44109421975951 0.00523519639725 0.25717856270731 22.990 5 Na 0.74963240048044 0.03162085034151 0.58377330345317 22.990 6 Na 0.25036759951956 0.53162085034151 0.91622669654683 22.990 7 Na 0.25036759951956 0.96837914965849 0.41622669654683 22.990 8 Na 0.74963240048044 0.46837914965849 0.08377330345317 22.990 9 Na 0.91399705952588 0.51536454266753 0.58841578997305 22.990 10 Na 0.08600294047412 0.01536454266753 0.91158421002695 22.990 11 Na 0.08600294047412 0.48463545733247 0.41158421002695 22.990 12 Na 0.91399705952588 0.98463545733247 0.08841578997305 22.990 13 Na 0.84261733373177 0.66341558813590 0.91972037522123 22.990 14 Na 0.15738266626823 0.16341558813590 0.58027962477877 22.990 15 Na 0.15738266626823 0.33658441186410 0.08027962477877 22.990 16 Na 0.84261733373177 0.83658441186410 0.41972037522123 22.990 17 Na 0.16633830159819 0.84774107605711 0.74125502485828 22.990 18 Na 0.83366169840181 0.34774107605711 0.75874497514172 22.990 19 Na 0.83366169840181 0.15225892394289 0.25874497514172 22.990 20 Na 0.16633830159819 0.65225892394289 0.24125502485828 22.990 21 Si 0.51509922765873 0.85967725330831 0.08516889234023 28.085 22 Si 0.48490077234127 0.35967725330831 0.41483110765977 28.085 23 Si 0.48490077234127 0.14032274669169 0.91483110765977 28.085 24 Si 0.51509922765873 0.64032274669169 0.58516889234023 28.085 25 As 0.24044067830316 0.76120492985760 0.58053470878465 74.922 26 As 0.75955932169684 0.26120492985760 0.91946529121535 74.922 27 As 0.75955932169684 0.23879507014240 0.41946529121535 74.922 28 As 0.24044067830316 0.73879507014240 0.08053470878465 74.922 29 As 0.80936137997723 0.73446329297942 0.72589909199487 74.922 30 As 0.19063862002277 0.23446329297942 0.77410090800513 74.922 31 As 0.19063862002277 0.26553670702058 0.27410090800513 74.922 32 As 0.80936137997723 0.76553670702058 0.22589909199487 74.922 33 As 0.52327519727549 0.81486421029182 0.93393500329339 74.922 34 As 0.47672480272451 0.31486421029182 0.56606499670661 74.922 35 As 0.47672480272451 0.18513578970818 0.06606499670661 74.922 36 As 0.52327519727549 0.68513578970818 0.43393500329339 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.303230523557051 0.000000000000000 0.000000000000000 b 0.000000000000000 14.891709259999997 0.000000000000000 c -8.096588059597485 0.000000000000000 13.303978887345073 Atomic positions (fractional): 1 Na 0.22054710987976 0.24738240180138 0.75717856270731 22.990 > 1 2 Na 0.72054710987976 0.24738240180138 0.75717856270731 22.990 > 1 3 Na 0.22054710987976 0.74738240180138 0.75717856270731 22.990 > 1 4 Na 0.72054710987976 0.74738240180138 0.75717856270731 22.990 > 1 5 Na 0.27945289012024 0.49738240180138 0.74282143729269 22.990 > 5 6 Na 0.77945289012024 0.49738240180138 0.74282143729269 22.990 > 5 7 Na 0.27945289012024 0.99738240180138 0.74282143729269 22.990 > 5 8 Na 0.77945289012024 0.99738240180138 0.74282143729269 22.990 > 5 9 Na 0.27945289012024 0.25261759819862 0.24282143729269 22.990 > 9 10 Na 0.77945289012024 0.25261759819862 0.24282143729269 22.990 > 9 11 Na 0.27945289012024 0.75261759819862 0.24282143729269 22.990 > 9 12 Na 0.77945289012024 0.75261759819862 0.24282143729269 22.990 > 9 13 Na 0.22054710987976 0.00261759819862 0.25717856270731 22.990 > 13 14 Na 0.72054710987976 0.00261759819862 0.25717856270731 22.990 > 13 15 Na 0.22054710987976 0.50261759819862 0.25717856270731 22.990 > 13 16 Na 0.72054710987976 0.50261759819862 0.25717856270731 22.990 > 13 17 Na 0.37481620024022 0.01581042517075 0.58377330345317 22.990 > 17 18 Na 0.87481620024022 0.01581042517075 0.58377330345317 22.990 > 17 19 Na 0.37481620024022 0.51581042517075 0.58377330345317 22.990 > 17 20 Na 0.87481620024022 0.51581042517075 0.58377330345317 22.990 > 17 21 Na 0.12518379975978 0.26581042517075 0.91622669654683 22.990 > 21 22 Na 0.62518379975978 0.26581042517075 0.91622669654683 22.990 > 21 23 Na 0.12518379975978 0.76581042517075 0.91622669654683 22.990 > 21 24 Na 0.62518379975978 0.76581042517075 0.91622669654683 22.990 > 21 25 Na 0.12518379975978 0.48418957482925 0.41622669654683 22.990 > 25 26 Na 0.62518379975978 0.48418957482925 0.41622669654683 22.990 > 25 27 Na 0.12518379975978 0.98418957482925 0.41622669654683 22.990 > 25 28 Na 0.62518379975978 0.98418957482925 0.41622669654683 22.990 > 25 29 Na 0.37481620024022 0.23418957482925 0.08377330345317 22.990 > 29 30 Na 0.87481620024022 0.23418957482925 0.08377330345317 22.990 > 29 31 Na 0.37481620024022 0.73418957482925 0.08377330345317 22.990 > 29 32 Na 0.87481620024022 0.73418957482925 0.08377330345317 22.990 > 29 33 Na 0.45699852976294 0.25768227133377 0.58841578997305 22.990 > 33 34 Na 0.95699852976294 0.25768227133377 0.58841578997305 22.990 > 33 35 Na 0.45699852976294 0.75768227133377 0.58841578997305 22.990 > 33 36 Na 0.95699852976294 0.75768227133377 0.58841578997305 22.990 > 33 37 Na 0.04300147023706 0.00768227133377 0.91158421002695 22.990 > 37 38 Na 0.54300147023706 0.00768227133377 0.91158421002695 22.990 > 37 39 Na 0.04300147023706 0.50768227133377 0.91158421002695 22.990 > 37 40 Na 0.54300147023706 0.50768227133377 0.91158421002695 22.990 > 37 41 Na 0.04300147023706 0.24231772866623 0.41158421002695 22.990 > 41 42 Na 0.54300147023706 0.24231772866623 0.41158421002695 22.990 > 41 43 Na 0.04300147023706 0.74231772866623 0.41158421002695 22.990 > 41 44 Na 0.54300147023706 0.74231772866623 0.41158421002695 22.990 > 41 45 Na 0.45699852976294 0.49231772866623 0.08841578997305 22.990 > 45 46 Na 0.95699852976294 0.49231772866623 0.08841578997305 22.990 > 45 47 Na 0.45699852976294 0.99231772866623 0.08841578997305 22.990 > 45 48 Na 0.95699852976294 0.99231772866623 0.08841578997305 22.990 > 45 49 Na 0.42130866686589 0.33170779406795 0.91972037522123 22.990 > 49 50 Na 0.92130866686589 0.33170779406795 0.91972037522123 22.990 > 49 51 Na 0.42130866686589 0.83170779406795 0.91972037522123 22.990 > 49 52 Na 0.92130866686589 0.83170779406795 0.91972037522123 22.990 > 49 53 Na 0.07869133313411 0.08170779406795 0.58027962477877 22.990 > 53 54 Na 0.57869133313411 0.08170779406795 0.58027962477877 22.990 > 53 55 Na 0.07869133313411 0.58170779406795 0.58027962477877 22.990 > 53 56 Na 0.57869133313411 0.58170779406795 0.58027962477877 22.990 > 53 57 Na 0.07869133313411 0.16829220593205 0.08027962477877 22.990 > 57 58 Na 0.57869133313411 0.16829220593205 0.08027962477877 22.990 > 57 59 Na 0.07869133313411 0.66829220593205 0.08027962477877 22.990 > 57 60 Na 0.57869133313411 0.66829220593205 0.08027962477877 22.990 > 57 61 Na 0.42130866686589 0.41829220593205 0.41972037522123 22.990 > 61 62 Na 0.92130866686589 0.41829220593205 0.41972037522123 22.990 > 61 63 Na 0.42130866686589 0.91829220593205 0.41972037522123 22.990 > 61 64 Na 0.92130866686589 0.91829220593205 0.41972037522123 22.990 > 61 65 Na 0.08316915079909 0.42387053802856 0.74125502485828 22.990 > 65 66 Na 0.58316915079909 0.42387053802856 0.74125502485828 22.990 > 65 67 Na 0.08316915079909 0.92387053802856 0.74125502485828 22.990 > 65 68 Na 0.58316915079909 0.92387053802856 0.74125502485828 22.990 > 65 69 Na 0.41683084920091 0.17387053802856 0.75874497514172 22.990 > 69 70 Na 0.91683084920091 0.17387053802856 0.75874497514172 22.990 > 69 71 Na 0.41683084920091 0.67387053802856 0.75874497514172 22.990 > 69 72 Na 0.91683084920091 0.67387053802856 0.75874497514172 22.990 > 69 73 Na 0.41683084920091 0.07612946197144 0.25874497514172 22.990 > 73 74 Na 0.91683084920091 0.07612946197144 0.25874497514172 22.990 > 73 75 Na 0.41683084920091 0.57612946197144 0.25874497514172 22.990 > 73 76 Na 0.91683084920091 0.57612946197144 0.25874497514172 22.990 > 73 77 Na 0.08316915079909 0.32612946197144 0.24125502485828 22.990 > 77 78 Na 0.58316915079909 0.32612946197144 0.24125502485828 22.990 > 77 79 Na 0.08316915079909 0.82612946197144 0.24125502485828 22.990 > 77 80 Na 0.58316915079909 0.82612946197144 0.24125502485828 22.990 > 77 81 Si 0.25754961382936 0.42983862665416 0.08516889234023 28.085 > 81 82 Si 0.75754961382936 0.42983862665416 0.08516889234023 28.085 > 81 83 Si 0.25754961382936 0.92983862665416 0.08516889234023 28.085 > 81 84 Si 0.75754961382936 0.92983862665416 0.08516889234023 28.085 > 81 85 Si 0.24245038617064 0.17983862665416 0.41483110765977 28.085 > 85 86 Si 0.74245038617064 0.17983862665416 0.41483110765977 28.085 > 85 87 Si 0.24245038617064 0.67983862665416 0.41483110765977 28.085 > 85 88 Si 0.74245038617064 0.67983862665416 0.41483110765977 28.085 > 85 89 Si 0.24245038617064 0.07016137334584 0.91483110765977 28.085 > 89 90 Si 0.74245038617064 0.07016137334584 0.91483110765977 28.085 > 89 91 Si 0.24245038617064 0.57016137334584 0.91483110765977 28.085 > 89 92 Si 0.74245038617064 0.57016137334584 0.91483110765977 28.085 > 89 93 Si 0.25754961382936 0.32016137334584 0.58516889234023 28.085 > 93 94 Si 0.75754961382936 0.32016137334584 0.58516889234023 28.085 > 93 95 Si 0.25754961382936 0.82016137334584 0.58516889234023 28.085 > 93 96 Si 0.75754961382936 0.82016137334584 0.58516889234023 28.085 > 93 97 As 0.12022033915158 0.38060246492880 0.58053470878465 74.922 > 97 98 As 0.62022033915158 0.38060246492880 0.58053470878465 74.922 > 97 99 As 0.12022033915158 0.88060246492880 0.58053470878465 74.922 > 97 100 As 0.62022033915158 0.88060246492880 0.58053470878465 74.922 > 97 101 As 0.37977966084842 0.13060246492880 0.91946529121535 74.922 > 101 102 As 0.87977966084842 0.13060246492880 0.91946529121535 74.922 > 101 103 As 0.37977966084842 0.63060246492880 0.91946529121535 74.922 > 101 104 As 0.87977966084842 0.63060246492880 0.91946529121535 74.922 > 101 105 As 0.37977966084842 0.11939753507120 0.41946529121535 74.922 > 105 106 As 0.87977966084842 0.11939753507120 0.41946529121535 74.922 > 105 107 As 0.37977966084842 0.61939753507120 0.41946529121535 74.922 > 105 108 As 0.87977966084842 0.61939753507120 0.41946529121535 74.922 > 105 109 As 0.12022033915158 0.36939753507120 0.08053470878465 74.922 > 109 110 As 0.62022033915158 0.36939753507120 0.08053470878465 74.922 > 109 111 As 0.12022033915158 0.86939753507120 0.08053470878465 74.922 > 109 112 As 0.62022033915158 0.86939753507120 0.08053470878465 74.922 > 109 113 As 0.40468068998862 0.36723164648971 0.72589909199487 74.922 > 113 114 As 0.90468068998862 0.36723164648971 0.72589909199487 74.922 > 113 115 As 0.40468068998862 0.86723164648971 0.72589909199487 74.922 > 113 116 As 0.90468068998862 0.86723164648971 0.72589909199487 74.922 > 113 117 As 0.09531931001138 0.11723164648971 0.77410090800513 74.922 > 117 118 As 0.59531931001138 0.11723164648971 0.77410090800513 74.922 > 117 119 As 0.09531931001138 0.61723164648971 0.77410090800513 74.922 > 117 120 As 0.59531931001138 0.61723164648971 0.77410090800513 74.922 > 117 121 As 0.09531931001138 0.13276835351029 0.27410090800513 74.922 > 121 122 As 0.59531931001138 0.13276835351029 0.27410090800513 74.922 > 121 123 As 0.09531931001138 0.63276835351029 0.27410090800513 74.922 > 121 124 As 0.59531931001138 0.63276835351029 0.27410090800513 74.922 > 121 125 As 0.40468068998862 0.38276835351029 0.22589909199487 74.922 > 125 126 As 0.90468068998862 0.38276835351029 0.22589909199487 74.922 > 125 127 As 0.40468068998862 0.88276835351029 0.22589909199487 74.922 > 125 128 As 0.90468068998862 0.88276835351029 0.22589909199487 74.922 > 125 129 As 0.26163759863775 0.40743210514591 0.93393500329339 74.922 > 129 130 As 0.76163759863775 0.40743210514591 0.93393500329339 74.922 > 129 131 As 0.26163759863775 0.90743210514591 0.93393500329339 74.922 > 129 132 As 0.76163759863775 0.90743210514591 0.93393500329339 74.922 > 129 133 As 0.23836240136225 0.15743210514591 0.56606499670661 74.922 > 133 134 As 0.73836240136225 0.15743210514591 0.56606499670661 74.922 > 133 135 As 0.23836240136225 0.65743210514591 0.56606499670661 74.922 > 133 136 As 0.73836240136225 0.65743210514591 0.56606499670661 74.922 > 133 137 As 0.23836240136225 0.09256789485409 0.06606499670661 74.922 > 137 138 As 0.73836240136225 0.09256789485409 0.06606499670661 74.922 > 137 139 As 0.23836240136225 0.59256789485409 0.06606499670661 74.922 > 137 140 As 0.73836240136225 0.59256789485409 0.06606499670661 74.922 > 137 141 As 0.26163759863775 0.34256789485409 0.43393500329339 74.922 > 141 142 As 0.76163759863775 0.34256789485409 0.43393500329339 74.922 > 141 143 As 0.26163759863775 0.84256789485409 0.43393500329339 74.922 > 141 144 As 0.76163759863775 0.84256789485409 0.43393500329339 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5502054 0.0000000 0.0532619 0.0000000 10.0159439 0.0000000 0.0532386 0.0000000 9.7429126 -------------------------- Born effective charges -------------------------- 1 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 2 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 3 Na 0.9593688 0.0846072 -0.3680207 0.1040697 1.2059176 -0.1209408 -0.3200444 -0.1733365 1.2972115 4 Na 0.9593688 -0.0846072 -0.3680207 -0.1040697 1.2059176 0.1209408 -0.3200444 0.1733365 1.2972115 5 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 6 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 7 Na 0.9385052 0.2126087 0.1790660 0.0282313 1.5439466 -0.1294986 0.1567414 -0.0173436 1.0917325 8 Na 0.9385052 -0.2126087 0.1790660 -0.0282313 1.5439466 0.1294986 0.1567414 0.0173436 1.0917325 9 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 10 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 11 Na 1.4112046 -0.0113491 0.2055098 -0.0530876 0.9113263 -0.0746692 0.1649528 -0.0818781 1.1497505 12 Na 1.4112046 0.0113491 0.2055098 0.0530876 0.9113263 0.0746692 0.1649528 0.0818781 1.1497505 13 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 14 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 15 Na 1.1268733 0.1143014 0.1850929 -0.0730991 1.0602093 0.1967827 -0.1195787 0.0132074 0.9965668 16 Na 1.1268733 -0.1143014 0.1850929 0.0730991 1.0602093 -0.1967827 -0.1195787 -0.0132074 0.9965668 17 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 18 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 19 Na 1.0834573 0.0904753 -0.1852264 0.1564504 0.9291587 0.2568428 0.1722123 0.2027889 0.9799335 20 Na 1.0834573 -0.0904753 -0.1852264 -0.1564504 0.9291587 -0.2568428 0.1722123 -0.2027889 0.9799335 21 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 22 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 23 Si 2.4665849 0.7173263 0.2653031 0.8073792 1.2969394 -1.0918355 0.2368937 -1.2210433 2.0892331 24 Si 2.4665849 -0.7173263 0.2653031 -0.8073792 1.2969394 1.0918355 0.2368937 1.2210433 2.0892331 25 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 26 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 27 As -3.5390416 0.6480921 -0.1155182 0.7362087 -2.1685847 0.1260932 0.1049401 -0.0620086 -2.1322889 28 As -3.5390416 -0.6480921 -0.1155182 -0.7362087 -2.1685847 -0.1260932 0.1049401 0.0620086 -2.1322889 29 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 30 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 31 As -2.6480001 -0.1842041 -0.6391276 -0.1446536 -2.1264835 -0.4966166 -0.9549415 -0.4860619 -3.0715747 32 As -2.6480001 0.1842041 -0.6391276 0.1446536 -2.1264835 0.4966166 -0.9549415 0.4860619 -3.0715747 33 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 34 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 35 As -1.7989524 -0.1484717 0.4729210 -0.1655738 -2.6524297 0.4502229 0.5588244 0.5717966 -2.4005643 36 As -1.7989524 0.1484717 0.4729210 0.1655738 -2.6524297 -0.4502229 0.5588244 -0.5717966 -2.4005643 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 1.303 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.865 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 14.414 0.000 13.275) 19.595 0.508 ( 22.972 0.000 8.355) 24.444 0.866 ( 36.919 0.000 15.290) 39.960 1.158 ( -0.996 0.000 -14.094) 14.129 1.552 ( 7.268 0.000 -18.462) 19.841 1.720 ( -2.344 0.000 8.913) 9.217 1.763 ( -9.748 0.000 -7.405) 12.242 1.871 ( 0.493 0.000 6.764) 6.782 2.030 ( 1.277 0.000 3.809) 4.017 2.052 ( 3.390 0.000 12.010) 12.480 2.053 ( -1.252 0.000 -2.311) 2.629 2.096 ( -5.932 0.000 1.625) 6.151 2.260 ( -2.146 0.000 0.573) 2.221 2.298 ( 0.667 0.000 -1.348) 1.504 2.313 ( -1.040 0.000 2.545) 2.749 2.452 ( -4.391 0.000 -2.081) 4.859 2.573 ( -8.128 0.000 2.990) 8.661 2.577 ( 0.076 0.000 0.306) 0.316 2.639 ( -4.505 0.000 -3.330) 5.602 2.681 ( 10.187 0.000 1.209) 10.259 2.682 ( -0.704 0.000 1.253) 1.437 2.748 ( 1.613 0.000 2.582) 3.045 2.782 ( -3.253 0.000 -4.338) 5.422 2.884 ( 2.038 0.000 -4.708) 5.130 2.963 ( -1.635 0.000 -2.021) 2.600 2.981 ( 3.498 0.000 2.117) 4.089 3.021 ( -1.105 0.000 0.410) 1.178 3.086 ( 5.449 0.000 -1.244) 5.589 3.120 ( 1.973 0.000 -1.349) 2.390 3.155 ( -0.907 0.000 4.175) 4.272 3.248 ( 1.075 0.000 0.836) 1.362 3.268 ( -1.297 0.000 -2.441) 2.764 3.374 ( 5.561 0.000 -1.021) 5.654 3.402 ( -0.470 0.000 -5.007) 5.029 3.421 ( 0.456 0.000 0.393) 0.601 3.462 ( 0.085 0.000 0.986) 0.989 3.577 ( -4.198 0.000 1.900) 4.608 3.594 ( -0.388 0.000 2.893) 2.919 3.626 ( -0.255 0.000 -1.067) 1.097 3.707 ( 2.507 0.000 -0.946) 2.679 3.752 ( -4.467 0.000 -2.469) 5.104 3.782 ( -1.237 0.000 1.732) 2.128 3.878 ( -0.104 0.000 0.360) 0.375 3.882 ( -1.381 0.000 0.751) 1.572 3.892 ( 1.032 0.000 0.290) 1.072 3.934 ( 0.805 0.000 0.902) 1.209 3.961 ( 4.063 0.000 0.685) 4.121 3.980 ( -2.372 0.000 -1.784) 2.968 4.004 ( -0.709 0.000 -0.652) 0.963 4.024 ( 3.210 0.000 0.728) 3.292 4.150 ( 2.193 0.000 3.485) 4.118 4.162 ( 5.706 0.000 -5.661) 8.037 4.236 ( -1.866 0.000 -2.258) 2.929 4.330 ( -2.649 0.000 -1.877) 3.246 4.374 ( -1.564 0.000 0.732) 1.727 4.417 ( -1.079 0.000 -0.731) 1.304 4.434 ( -3.370 0.000 -1.069) 3.535 4.559 ( -3.650 0.000 -2.053) 4.188 4.615 ( -1.514 0.000 5.954) 6.143 4.670 ( 7.647 0.000 -9.406) 12.122 4.681 ( -0.377 0.000 1.173) 1.232 4.712 ( -1.293 0.000 0.697) 1.469 4.845 ( 1.442 0.000 -5.192) 5.389 4.847 ( -2.305 0.000 0.528) 2.365 4.885 ( 3.260 0.000 3.392) 4.705 4.934 ( -1.887 0.000 2.629) 3.236 4.988 ( -0.365 0.000 -4.906) 4.919 4.996 ( -1.204 0.000 1.156) 1.669 5.057 ( -1.167 0.000 0.997) 1.535 5.141 ( 1.081 0.000 -0.515) 1.197 5.191 ( 1.004 0.000 -3.571) 3.710 5.237 ( -2.755 0.000 -4.434) 5.220 5.328 ( -0.095 0.000 7.492) 7.492 5.454 ( -6.852 0.000 -0.752) 6.893 5.472 ( -5.259 0.000 0.492) 5.282 5.494 ( -5.191 0.000 4.363) 6.781 5.603 ( -1.866 0.000 -2.840) 3.398 5.624 ( 0.329 0.000 5.580) 5.590 5.672 ( 0.024 0.000 -1.427) 1.427 5.727 ( 1.554 0.000 0.213) 1.568 5.793 ( 6.457 0.000 -4.046) 7.620 5.816 ( 2.855 0.000 1.949) 3.456 5.846 ( -2.506 0.000 -0.042) 2.507 5.921 ( -0.253 0.000 2.861) 2.873 5.924 ( -1.681 0.000 0.310) 1.709 5.976 ( -4.337 0.000 1.976) 4.766 5.987 ( -0.577 0.000 2.542) 2.607 6.041 ( 0.751 0.000 5.334) 5.386 6.069 ( 2.232 0.000 -2.038) 3.023 6.123 ( 1.451 0.000 -1.447) 2.050 6.180 ( -0.793 0.000 -0.472) 0.923 6.205 ( 0.653 0.000 -0.407) 0.769 6.215 ( 1.538 0.000 -1.013) 1.841 6.324 ( -2.699 0.000 -1.048) 2.896 6.401 ( 7.309 0.000 -1.242) 7.413 6.456 ( 3.451 0.000 -1.317) 3.693 8.639 ( 0.677 0.000 0.684) 0.962 8.674 ( -0.594 0.000 -0.946) 1.117 9.625 ( -0.766 0.000 -2.350) 2.472 9.660 ( -1.255 0.000 4.135) 4.321 10.387 ( -2.790 0.000 2.717) 3.895 10.611 ( -4.215 0.000 -3.066) 5.212 10.619 ( 3.106 0.000 3.320) 4.546 10.732 ( 0.797 0.000 -1.255) 1.487 10.889 ( 1.806 0.000 1.337) 2.247 10.910 ( 0.273 0.000 -3.155) 3.167 11.039 ( 3.945 0.000 -2.231) 4.533 11.061 ( 4.561 0.000 -0.261) 4.568 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 13.504 0.000 12.019) 18.078 0.948 ( 17.727 0.000 4.577) 18.309 1.159 ( 15.618 0.000 -6.253) 16.823 1.501 ( 14.553 0.000 -9.213) 17.224 1.521 ( -7.799 0.000 -3.979) 8.755 1.553 ( 19.212 0.000 -1.063) 19.241 1.811 ( -5.240 0.000 4.486) 6.898 1.916 ( -0.812 0.000 -0.166) 0.829 1.930 ( -1.516 0.000 3.874) 4.160 2.050 ( -1.829 0.000 2.244) 2.895 2.076 ( -1.439 0.000 5.485) 5.671 2.196 ( -6.960 0.000 1.350) 7.090 2.248 ( -0.674 0.000 9.593) 9.617 2.312 ( -2.881 0.000 -3.245) 4.340 2.323 ( 0.050 0.000 3.482) 3.483 2.359 ( 1.258 0.000 0.195) 1.273 2.433 ( -7.063 0.000 1.281) 7.178 2.523 ( -0.964 0.000 -5.191) 5.280 2.563 ( -0.080 0.000 -2.420) 2.422 2.634 ( -4.206 0.000 -1.951) 4.637 2.706 ( 4.306 0.000 -5.241) 6.783 2.752 ( 0.279 0.000 -0.201) 0.344 2.912 ( 0.745 0.000 -2.701) 2.802 2.947 ( 8.653 0.000 5.422) 10.212 2.947 ( 3.007 0.000 1.360) 3.301 3.018 ( -0.864 0.000 0.905) 1.252 3.039 ( 1.368 0.000 -0.907) 1.641 3.093 ( -0.206 0.000 -2.924) 2.931 3.119 ( 1.683 0.000 -3.154) 3.575 3.165 ( -1.659 0.000 -3.089) 3.506 3.259 ( 0.787 0.000 3.377) 3.468 3.286 ( 1.557 0.000 2.535) 2.975 3.349 ( 1.330 0.000 -1.476) 1.987 3.442 ( 1.127 0.000 1.581) 1.942 3.444 ( 0.967 0.000 0.491) 1.085 3.512 ( 3.194 0.000 0.315) 3.210 3.535 ( -2.997 0.000 0.507) 3.040 3.602 ( -0.670 0.000 -2.679) 2.761 3.609 ( 0.482 0.000 1.378) 1.460 3.640 ( -3.030 0.000 -1.150) 3.241 3.736 ( 1.434 0.000 -0.402) 1.490 3.744 ( -2.685 0.000 -0.549) 2.740 3.875 ( -1.413 0.000 2.167) 2.587 3.878 ( -3.934 0.000 2.684) 4.762 3.905 ( -0.024 0.000 -0.009) 0.025 3.905 ( -0.659 0.000 -3.052) 3.122 3.988 ( 2.121 0.000 1.527) 2.613 3.998 ( 0.188 0.000 0.929) 0.948 4.028 ( 3.260 0.000 -1.126) 3.449 4.086 ( 2.175 0.000 1.579) 2.688 4.168 ( -3.511 0.000 -2.014) 4.047 4.184 ( 1.784 0.000 -3.890) 4.280 4.236 ( 3.058 0.000 1.814) 3.556 4.245 ( -0.686 0.000 -3.654) 3.717 4.368 ( -0.229 0.000 0.781) 0.814 4.379 ( -2.391 0.000 -0.824) 2.529 4.401 ( 0.340 0.000 1.289) 1.333 4.513 ( -0.794 0.000 0.872) 1.179 4.610 ( -2.201 0.000 -0.966) 2.404 4.652 ( 0.465 0.000 -3.877) 3.905 4.676 ( -3.019 0.000 2.476) 3.905 4.778 ( 4.684 0.000 1.895) 5.053 4.813 ( 1.296 0.000 -4.459) 4.644 4.814 ( -1.046 0.000 -1.120) 1.532 4.852 ( -6.978 0.000 -0.098) 6.978 4.887 ( -2.254 0.000 -5.528) 5.970 5.014 ( 3.428 0.000 3.491) 4.893 5.016 ( -0.356 0.000 2.732) 2.755 5.044 ( 0.354 0.000 0.659) 0.748 5.112 ( -2.895 0.000 -4.569) 5.409 5.171 ( -0.562 0.000 -1.663) 1.756 5.189 ( 1.831 0.000 -0.070) 1.833 5.308 ( -6.712 0.000 -1.448) 6.866 5.330 ( -4.834 0.000 0.392) 4.850 5.419 ( -2.548 0.000 3.393) 4.244 5.490 ( -1.387 0.000 3.741) 3.990 5.537 ( -1.351 0.000 -2.408) 2.761 5.653 ( -2.192 0.000 2.760) 3.524 5.682 ( 0.878 0.000 2.647) 2.789 5.769 ( 0.379 0.000 3.239) 3.261 5.778 ( -2.482 0.000 -3.188) 4.040 5.827 ( -2.296 0.000 -0.166) 2.302 5.842 ( 0.844 0.000 -1.488) 1.710 5.898 ( 1.081 0.000 -1.437) 1.798 5.936 ( 0.014 0.000 2.283) 2.283 5.984 ( 2.286 0.000 2.184) 3.161 6.024 ( -0.863 0.000 1.673) 1.883 6.037 ( -1.265 0.000 -2.715) 2.995 6.105 ( 3.672 0.000 -0.148) 3.675 6.142 ( -1.533 0.000 -1.663) 2.262 6.171 ( 1.243 0.000 1.524) 1.967 6.206 ( -0.779 0.000 -0.981) 1.253 6.264 ( 3.476 0.000 1.982) 4.001 6.275 ( 0.003 0.000 -1.382) 1.382 6.501 ( 4.407 0.000 -0.068) 4.407 6.517 ( 3.821 0.000 0.148) 3.823 8.657 ( -0.132 0.000 -0.834) 0.844 8.662 ( 0.821 0.000 0.874) 1.199 9.558 ( -3.496 0.000 -2.559) 4.332 9.673 ( -3.044 0.000 4.946) 5.807 10.389 ( -0.646 0.000 3.168) 3.234 10.496 ( -3.418 0.000 -4.296) 5.490 10.723 ( 3.948 0.000 3.402) 5.212 10.742 ( 1.028 0.000 -0.238) 1.055 10.870 ( 0.288 0.000 -4.699) 4.708 10.948 ( 2.755 0.000 1.763) 3.271 11.085 ( 3.073 0.000 -1.553) 3.443 11.147 ( 4.994 0.000 -0.366) 5.007 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 12.451 0.000 8.606) 15.136 1.225 ( 9.340 0.000 0.983) 9.391 1.405 ( 9.185 0.000 -1.232) 9.267 1.473 ( 2.033 0.000 4.334) 4.787 1.496 ( -4.106 0.000 -7.811) 8.824 1.668 ( 4.173 0.000 -7.144) 8.273 1.803 ( -2.654 0.000 7.447) 7.906 1.862 ( -4.381 0.000 -2.222) 4.912 1.911 ( 1.268 0.000 -3.035) 3.290 2.033 ( -0.483 0.000 -1.033) 1.140 2.074 ( -8.754 0.000 3.030) 9.263 2.095 ( -2.487 0.000 1.487) 2.898 2.276 ( 2.771 0.000 -1.176) 3.011 2.290 ( -0.589 0.000 0.019) 0.589 2.368 ( 1.412 0.000 2.844) 3.175 2.376 ( 0.393 0.000 -0.567) 0.690 2.446 ( -1.973 0.000 11.117) 11.291 2.501 ( 3.671 0.000 -5.486) 6.601 2.538 ( 0.604 0.000 -2.244) 2.324 2.596 ( 0.175 0.000 -0.379) 0.417 2.708 ( -1.368 0.000 -1.865) 2.313 2.763 ( 1.519 0.000 -1.072) 1.860 2.904 ( 1.418 0.000 -0.902) 1.680 2.943 ( -1.327 0.000 -1.602) 2.080 2.995 ( -1.642 0.000 -0.176) 1.652 3.034 ( 1.055 0.000 -1.596) 1.913 3.081 ( 2.926 0.000 -0.587) 2.984 3.083 ( 1.765 0.000 -1.210) 2.140 3.143 ( -0.234 0.000 1.788) 1.803 3.143 ( 0.452 0.000 1.861) 1.915 3.218 ( -4.043 0.000 -0.470) 4.070 3.373 ( 3.951 0.000 4.543) 6.021 3.419 ( 4.246 0.000 1.386) 4.466 3.472 ( -1.759 0.000 -2.399) 2.975 3.478 ( 0.540 0.000 0.932) 1.077 3.504 ( 0.811 0.000 1.453) 1.664 3.532 ( -0.460 0.000 0.045) 0.462 3.556 ( -0.813 0.000 -0.720) 1.086 3.633 ( 2.270 0.000 0.279) 2.288 3.636 ( 0.707 0.000 0.309) 0.772 3.718 ( 0.216 0.000 -0.275) 0.350 3.752 ( 0.488 0.000 -0.230) 0.540 3.802 ( -5.208 0.000 1.907) 5.547 3.871 ( -2.588 0.000 4.157) 4.897 3.882 ( 0.414 0.000 -4.630) 4.649 3.900 ( 0.815 0.000 -1.896) 2.064 3.963 ( -4.224 0.000 0.779) 4.295 3.996 ( 0.180 0.000 -1.812) 1.821 4.109 ( 4.652 0.000 -0.386) 4.668 4.120 ( 1.291 0.000 3.061) 3.322 4.150 ( 0.199 0.000 -0.331) 0.386 4.169 ( 1.972 0.000 1.548) 2.507 4.230 ( 1.037 0.000 -3.611) 3.757 4.234 ( -3.261 0.000 -2.313) 3.998 4.318 ( -2.481 0.000 -1.807) 3.070 4.384 ( 0.647 0.000 0.917) 1.122 4.441 ( 1.252 0.000 0.463) 1.335 4.557 ( 1.555 0.000 6.742) 6.920 4.565 ( -0.733 0.000 0.327) 0.803 4.601 ( -1.010 0.000 -4.151) 4.272 4.633 ( -2.560 0.000 1.111) 2.791 4.711 ( -3.369 0.000 -8.775) 9.400 4.755 ( -2.726 0.000 0.610) 2.793 4.801 ( 0.285 0.000 -0.781) 0.831 4.864 ( 1.148 0.000 0.415) 1.221 4.896 ( 4.005 0.000 4.276) 5.859 5.006 ( -2.082 0.000 -5.298) 5.692 5.033 ( -1.037 0.000 1.228) 1.608 5.063 ( 2.947 0.000 -0.093) 2.948 5.091 ( 0.437 0.000 0.831) 0.939 5.132 ( -2.804 0.000 0.022) 2.804 5.207 ( -0.811 0.000 -2.067) 2.220 5.221 ( -1.049 0.000 1.341) 1.702 5.257 ( -2.655 0.000 0.565) 2.715 5.399 ( -1.172 0.000 -0.305) 1.211 5.500 ( -0.799 0.000 1.479) 1.681 5.522 ( 0.195 0.000 0.408) 0.452 5.657 ( -0.349 0.000 2.427) 2.452 5.707 ( -1.907 0.000 -0.042) 1.908 5.722 ( 0.769 0.000 -0.829) 1.131 5.783 ( -0.290 0.000 2.409) 2.426 5.836 ( 0.460 0.000 0.290) 0.544 5.850 ( 0.626 0.000 -0.450) 0.770 5.869 ( -0.040 0.000 -0.076) 0.086 5.932 ( -1.069 0.000 -2.340) 2.573 5.988 ( -2.055 0.000 -2.177) 2.993 6.018 ( 0.617 0.000 0.491) 0.789 6.035 ( 1.047 0.000 1.031) 1.469 6.098 ( -1.290 0.000 -0.781) 1.508 6.151 ( 0.692 0.000 0.092) 0.698 6.186 ( 0.196 0.000 0.021) 0.197 6.214 ( 1.867 0.000 1.132) 2.183 6.268 ( -0.213 0.000 -1.169) 1.189 6.336 ( 1.658 0.000 1.267) 2.087 6.549 ( 1.270 0.000 -0.052) 1.271 6.575 ( 1.792 0.000 0.422) 1.841 8.652 ( 0.163 0.000 -0.263) 0.309 8.681 ( 0.358 0.000 0.398) 0.536 9.480 ( -2.044 0.000 -1.254) 2.398 9.663 ( -1.896 0.000 1.969) 2.734 10.415 ( 0.204 0.000 1.415) 1.429 10.423 ( -0.974 0.000 -1.884) 2.121 10.752 ( -0.114 0.000 0.474) 0.488 10.805 ( 1.747 0.000 1.660) 2.410 10.837 ( 0.617 0.000 -2.441) 2.518 11.006 ( 1.524 0.000 1.095) 1.877 11.105 ( 0.900 0.000 -1.047) 1.381 11.210 ( 2.156 0.000 -0.226) 2.168 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 22.811 0.000) 22.811 0.513 ( 0.000 26.088 0.000) 26.088 0.702 ( 0.000 35.386 0.000) 35.386 1.293 ( 0.000 -0.841 0.000) 0.841 1.503 ( 0.000 -3.025 0.000) 3.025 1.721 ( 0.000 0.158 0.000) 0.158 1.756 ( 0.000 -3.775 0.000) 3.775 1.883 ( 0.000 -0.488 0.000) 0.488 1.885 ( 0.000 4.178 0.000) 4.178 2.026 ( 0.000 0.122 0.000) 0.122 2.064 ( 0.000 -0.868 0.000) 0.868 2.198 ( 0.000 1.463 0.000) 1.463 2.277 ( 0.000 -5.074 0.000) 5.074 2.340 ( 0.000 -0.313 0.000) 0.313 2.395 ( 0.000 -2.321 0.000) 2.321 2.453 ( 0.000 -5.086 0.000) 5.086 2.467 ( 0.000 -2.004 0.000) 2.004 2.561 ( 0.000 -2.106 0.000) 2.106 2.623 ( 0.000 -2.932 0.000) 2.932 2.664 ( 0.000 -1.730 0.000) 1.730 2.709 ( 0.000 -1.211 0.000) 1.211 2.725 ( 0.000 -2.563 0.000) 2.563 2.868 ( 0.000 -0.240 0.000) 0.240 2.878 ( 0.000 -1.881 0.000) 1.881 2.935 ( 0.000 -4.635 0.000) 4.635 2.977 ( 0.000 1.460 0.000) 1.460 2.996 ( 0.000 0.127 0.000) 0.127 3.083 ( 0.000 -0.297 0.000) 0.297 3.092 ( 0.000 -0.840 0.000) 0.840 3.154 ( 0.000 0.391 0.000) 0.391 3.206 ( 0.000 -3.795 0.000) 3.795 3.211 ( 0.000 -0.628 0.000) 0.628 3.261 ( 0.000 -1.265 0.000) 1.265 3.369 ( 0.000 -9.075 0.000) 9.075 3.398 ( 0.000 -1.599 0.000) 1.599 3.527 ( 0.000 -1.953 0.000) 1.953 3.547 ( 0.000 0.974 0.000) 0.974 3.577 ( 0.000 -3.074 0.000) 3.074 3.650 ( 0.000 0.984 0.000) 0.984 3.708 ( 0.000 2.432 0.000) 2.432 3.771 ( 0.000 -1.471 0.000) 1.471 3.791 ( 0.000 -1.172 0.000) 1.172 3.827 ( 0.000 -2.243 0.000) 2.243 3.829 ( 0.000 -0.358 0.000) 0.358 3.895 ( 0.000 -0.486 0.000) 0.486 3.902 ( 0.000 -0.274 0.000) 0.274 3.966 ( 0.000 -2.109 0.000) 2.109 4.001 ( 0.000 4.237 0.000) 4.237 4.007 ( 0.000 2.662 0.000) 2.662 4.069 ( 0.000 3.459 0.000) 3.459 4.096 ( 0.000 0.190 0.000) 0.190 4.129 ( 0.000 5.268 0.000) 5.268 4.265 ( 0.000 -0.493 0.000) 0.493 4.329 ( 0.000 -3.727 0.000) 3.727 4.416 ( 0.000 1.733 0.000) 1.733 4.419 ( 0.000 5.609 0.000) 5.609 4.481 ( 0.000 -1.936 0.000) 1.936 4.533 ( 0.000 -0.010 0.000) 0.010 4.618 ( 0.000 1.697 0.000) 1.697 4.638 ( 0.000 -1.612 0.000) 1.612 4.669 ( 0.000 1.941 0.000) 1.941 4.724 ( 0.000 0.803 0.000) 0.803 4.807 ( 0.000 -1.318 0.000) 1.318 4.848 ( 0.000 -2.006 0.000) 2.006 4.858 ( 0.000 5.300 0.000) 5.300 4.861 ( 0.000 -0.385 0.000) 0.385 4.967 ( 0.000 -4.518 0.000) 4.518 5.051 ( 0.000 1.585 0.000) 1.585 5.114 ( 0.000 1.787 0.000) 1.787 5.130 ( 0.000 -4.282 0.000) 4.282 5.172 ( 0.000 1.997 0.000) 1.997 5.333 ( 0.000 1.033 0.000) 1.033 5.377 ( 0.000 -0.437 0.000) 0.437 5.514 ( 0.000 -0.810 0.000) 0.810 5.550 ( 0.000 0.895 0.000) 0.895 5.558 ( 0.000 2.262 0.000) 2.262 5.583 ( 0.000 3.051 0.000) 3.051 5.668 ( 0.000 -0.032 0.000) 0.032 5.683 ( 0.000 -2.517 0.000) 2.517 5.710 ( 0.000 1.177 0.000) 1.177 5.737 ( 0.000 -0.457 0.000) 0.457 5.834 ( 0.000 3.284 0.000) 3.284 5.875 ( 0.000 -0.133 0.000) 0.133 5.891 ( 0.000 0.388 0.000) 0.388 5.900 ( 0.000 0.260 0.000) 0.260 5.932 ( 0.000 0.665 0.000) 0.665 6.026 ( 0.000 -2.735 0.000) 2.735 6.028 ( 0.000 -1.198 0.000) 1.198 6.073 ( 0.000 0.641 0.000) 0.641 6.097 ( 0.000 -0.636 0.000) 0.636 6.153 ( 0.000 -1.745 0.000) 1.745 6.184 ( 0.000 0.140 0.000) 0.140 6.218 ( 0.000 0.020 0.000) 0.020 6.249 ( 0.000 1.542 0.000) 1.542 6.474 ( 0.000 3.411 0.000) 3.411 6.506 ( 0.000 0.606 0.000) 0.606 8.618 ( 0.000 -1.018 0.000) 1.018 8.668 ( 0.000 -1.795 0.000) 1.795 9.688 ( 0.000 4.610 0.000) 4.610 9.892 ( 0.000 1.556 0.000) 1.556 10.428 ( 0.000 2.200 0.000) 2.200 10.454 ( 0.000 1.522 0.000) 1.522 10.664 ( 0.000 -1.366 0.000) 1.366 10.686 ( 0.000 -0.513 0.000) 0.513 10.755 ( 0.000 2.059 0.000) 2.059 10.894 ( 0.000 2.564 0.000) 2.564 10.939 ( 0.000 1.390 0.000) 1.390 11.024 ( 0.000 0.650 0.000) 0.650 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 14.976 14.870 1.306) 21.145 0.685 ( 10.256 17.994 12.131) 24.003 1.094 ( 21.572 16.747 6.633) 28.103 1.213 ( 5.462 6.780 -6.919) 11.120 1.526 ( 5.226 -1.416 -16.131) 17.016 1.646 ( 2.205 -3.271 6.627) 7.712 1.828 ( -7.136 4.221 -7.966) 11.498 1.883 ( 0.119 -0.559 5.694) 5.723 1.962 ( 1.878 -2.856 5.253) 6.267 2.030 ( 2.741 -1.295 7.939) 8.498 2.080 ( -1.041 -1.188 0.355) 1.619 2.151 ( -2.647 2.141 3.016) 4.548 2.240 ( -1.615 -0.341 -0.454) 1.712 2.295 ( -3.652 -4.920 -0.115) 6.129 2.330 ( -5.743 3.173 -2.751) 7.115 2.454 ( 0.181 -0.973 0.438) 1.082 2.467 ( -0.522 -5.083 -3.929) 6.446 2.559 ( -1.997 -1.816 0.574) 2.760 2.613 ( -4.354 -2.006 0.881) 4.874 2.664 ( 0.898 -2.716 4.486) 5.320 2.668 ( 5.710 -0.581 1.507) 5.934 2.753 ( 0.274 -3.054 -4.205) 5.204 2.779 ( -0.323 1.033 -0.903) 1.410 2.837 ( -4.859 -2.003 -4.827) 7.136 2.919 ( 1.265 -5.539 0.740) 5.730 2.961 ( -3.618 -0.367 3.612) 5.125 3.060 ( -0.398 -0.289 -0.207) 0.534 3.083 ( 4.721 0.021 -7.009) 8.451 3.108 ( 1.048 -1.310 3.509) 3.890 3.133 ( 0.497 -2.827 0.658) 2.945 3.200 ( 0.376 -1.546 0.345) 1.628 3.247 ( 2.999 -1.156 -1.820) 3.694 3.364 ( 1.305 -6.253 0.883) 6.448 3.388 ( 3.795 -3.166 1.530) 5.174 3.411 ( -0.326 1.474 -5.344) 5.553 3.450 ( -0.696 1.281 3.869) 4.135 3.552 ( 0.365 -3.703 -1.970) 4.210 3.578 ( -1.653 -0.677 -0.409) 1.833 3.634 ( -1.043 0.659 0.889) 1.521 3.688 ( 0.219 -1.221 -3.459) 3.675 3.759 ( -2.302 0.948 -0.334) 2.512 3.805 ( 1.290 0.701 0.735) 1.642 3.809 ( -1.091 -3.349 0.049) 3.523 3.890 ( -0.859 -1.250 0.699) 1.670 3.902 ( 0.261 1.044 0.440) 1.163 3.937 ( 2.509 -0.567 1.386) 2.922 3.974 ( 1.140 1.251 -0.237) 1.709 3.995 ( -0.298 0.375 -2.133) 2.186 4.004 ( 1.998 0.356 0.929) 2.232 4.063 ( 0.450 4.647 2.023) 5.088 4.129 ( 2.749 -0.217 0.788) 2.868 4.184 ( 3.737 2.186 -1.045) 4.454 4.225 ( -2.428 -1.097 -1.595) 3.105 4.334 ( -1.105 -1.555 0.384) 1.945 4.371 ( -1.748 3.224 -2.445) 4.408 4.427 ( -4.069 0.671 -0.499) 4.154 4.504 ( -0.393 3.923 0.562) 3.983 4.550 ( -3.017 0.255 -1.029) 3.198 4.580 ( 7.034 -5.900 -1.197) 9.259 4.639 ( -1.458 0.386 3.141) 3.485 4.700 ( 2.069 0.427 -1.889) 2.834 4.749 ( -0.333 2.091 2.298) 3.125 4.776 ( -3.118 -1.068 -0.638) 3.357 4.840 ( 1.114 -2.096 0.934) 2.551 4.871 ( 2.812 -0.437 -0.859) 2.972 4.913 ( 0.080 1.489 4.419) 4.664 4.957 ( -1.367 -3.191 0.963) 3.602 5.010 ( -1.991 -0.071 -5.283) 5.647 5.054 ( -0.338 1.659 -1.630) 2.350 5.150 ( -0.205 0.504 -1.310) 1.418 5.196 ( 0.765 -1.751 -1.029) 2.170 5.283 ( -3.373 0.753 -1.880) 3.935 5.335 ( -2.612 2.451 1.767) 3.994 5.470 ( -5.698 1.842 -0.713) 6.031 5.488 ( -4.615 1.170 1.377) 4.956 5.526 ( -2.852 3.259 2.038) 4.787 5.593 ( -2.388 -1.015 -0.348) 2.618 5.637 ( 3.024 -0.332 -1.681) 3.476 5.651 ( -3.394 0.181 4.174) 5.383 5.748 ( -1.484 -1.876 -2.060) 3.156 5.787 ( 2.136 2.568 0.934) 3.468 5.819 ( 3.388 -0.113 -1.840) 3.857 5.848 ( -0.826 -1.088 0.458) 1.441 5.904 ( 1.108 -0.439 1.569) 1.970 5.942 ( 0.909 1.220 1.279) 1.987 5.967 ( -1.376 -1.838 2.134) 3.135 5.992 ( -2.830 1.325 0.224) 3.133 6.033 ( 0.284 -0.351 3.991) 4.016 6.065 ( 2.180 -0.608 -2.093) 3.082 6.129 ( 3.075 0.592 -0.906) 3.260 6.181 ( 2.133 -0.396 -0.492) 2.224 6.197 ( -0.053 0.063 -0.495) 0.502 6.229 ( 0.371 0.950 1.400) 1.733 6.300 ( 2.455 -0.066 0.818) 2.588 6.465 ( 0.725 2.993 -2.213) 3.792 6.475 ( 1.921 1.759 -1.953) 3.256 8.626 ( 0.364 -1.267 0.624) 1.458 8.659 ( -0.323 -1.520 -0.799) 1.747 9.657 ( -3.660 3.806 0.475) 5.302 9.762 ( -4.150 6.481 -1.041) 7.766 10.415 ( -2.026 2.872 3.110) 4.693 10.592 ( 3.466 -1.931 2.487) 4.683 10.624 ( -2.165 0.172 -2.206) 3.096 10.735 ( 0.472 1.302 -0.847) 1.624 10.842 ( 5.833 -5.451 0.536) 8.001 10.930 ( 4.218 1.502 -0.066) 4.478 10.952 ( 2.018 -0.783 0.527) 2.228 11.059 ( 4.094 -0.274 -0.738) 4.169 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 15.000 9.188 5.625) 18.467 1.032 ( 13.201 9.180 9.690) 18.773 1.209 ( 13.040 5.669 -5.396) 15.208 1.445 ( 3.031 -2.180 -9.502) 10.209 1.570 ( 10.660 4.296 -2.016) 11.669 1.651 ( 3.608 5.730 -3.359) 7.559 1.820 ( -3.107 1.475 2.845) 4.463 1.907 ( 0.516 -0.621 2.667) 2.786 1.928 ( -3.573 0.238 -0.428) 3.606 2.070 ( -1.536 0.049 6.740) 6.913 2.094 ( -1.301 -0.960 3.910) 4.231 2.197 ( -5.885 -1.251 -0.877) 6.080 2.235 ( 2.028 -3.040 1.314) 3.883 2.266 ( 1.367 -0.027 1.693) 2.176 2.310 ( 3.345 -0.141 6.624) 7.422 2.365 ( -3.677 2.819 -0.261) 4.641 2.442 ( -0.417 -0.708 -2.624) 2.750 2.512 ( -2.375 -0.091 -2.184) 3.227 2.564 ( 0.848 -0.887 -1.344) 1.820 2.648 ( -5.295 0.967 -1.401) 5.562 2.670 ( 1.444 -2.058 -2.841) 3.793 2.775 ( -1.347 -6.597 1.466) 6.890 2.778 ( 2.007 -1.052 -3.924) 4.531 2.885 ( 5.908 -4.629 7.253) 10.437 2.938 ( 0.639 -4.959 -0.674) 5.045 2.977 ( 1.586 -1.256 2.292) 3.057 3.045 ( 1.251 -4.760 -6.131) 7.862 3.055 ( -1.143 -0.793 -0.408) 1.449 3.124 ( -1.350 -4.783 0.911) 5.053 3.157 ( 3.353 2.489 -1.638) 4.486 3.251 ( 0.606 -1.438 -0.753) 1.733 3.265 ( 2.604 -0.229 -0.273) 2.629 3.353 ( -0.153 -1.251 0.537) 1.370 3.380 ( -0.031 -3.424 3.878) 5.173 3.459 ( 1.378 -1.878 0.938) 2.511 3.500 ( -0.325 -1.302 -0.840) 1.584 3.529 ( 0.328 -1.081 -2.464) 2.711 3.551 ( 0.431 -0.326 -1.180) 1.298 3.597 ( -1.058 -0.406 -2.728) 2.953 3.653 ( 0.053 -2.949 -2.496) 3.864 3.715 ( -1.012 3.028 1.631) 3.585 3.764 ( -4.259 -4.003 1.731) 6.096 3.832 ( -1.452 1.762 -0.578) 2.355 3.895 ( 0.824 -1.591 -1.716) 2.481 3.901 ( 0.204 0.781 0.170) 0.825 3.944 ( 0.287 0.366 0.790) 0.917 3.965 ( -0.963 1.622 0.208) 1.898 4.006 ( 1.402 0.584 -0.760) 1.698 4.077 ( 2.674 -0.185 2.944) 3.982 4.105 ( 1.135 5.339 2.036) 5.826 4.163 ( -0.378 -0.730 -1.970) 2.135 4.194 ( 1.690 0.989 -0.898) 2.154 4.248 ( -1.206 1.745 -0.257) 2.136 4.278 ( 1.854 1.954 -1.653) 3.161 4.331 ( -0.791 -2.979 0.045) 3.082 4.366 ( -2.108 1.822 0.170) 2.791 4.484 ( -0.465 3.475 -1.532) 3.826 4.510 ( -0.626 0.910 1.334) 1.732 4.612 ( 0.180 -3.195 -4.520) 5.538 4.646 ( -1.874 1.946 -0.171) 2.707 4.709 ( -3.646 1.406 4.135) 5.689 4.731 ( 2.649 -2.467 -0.008) 3.620 4.796 ( -0.428 -0.705 -0.465) 0.947 4.832 ( 0.039 -1.260 1.234) 1.764 4.857 ( -2.841 1.561 -0.887) 3.361 4.893 ( -4.376 1.000 -4.533) 6.379 4.971 ( 2.976 -1.205 -0.550) 3.257 5.007 ( 3.347 -0.085 4.215) 5.383 5.038 ( 0.080 -0.070 -0.114) 0.156 5.135 ( -0.445 0.278 -3.191) 3.234 5.168 ( -0.230 -0.792 -1.640) 1.835 5.215 ( -3.071 -1.126 -1.110) 3.454 5.267 ( -5.566 1.272 -0.905) 5.781 5.376 ( -4.211 2.834 0.028) 5.076 5.430 ( -2.858 1.270 1.658) 3.540 5.515 ( -3.097 0.840 4.098) 5.205 5.553 ( -0.839 1.313 -1.517) 2.175 5.630 ( 0.052 -1.571 -0.413) 1.626 5.678 ( -1.424 -0.907 3.853) 4.207 5.712 ( -0.515 -4.480 -1.285) 4.689 5.769 ( -3.019 0.372 -0.750) 3.133 5.823 ( 1.092 2.395 -0.007) 2.632 5.860 ( -0.003 -1.780 1.218) 2.157 5.930 ( -1.940 3.102 0.116) 3.660 5.962 ( 1.461 -1.906 2.572) 3.519 5.981 ( 1.695 2.182 0.818) 2.881 6.013 ( 0.452 -0.738 1.270) 1.537 6.039 ( -0.296 0.455 -1.900) 1.976 6.107 ( 3.909 0.524 -0.648) 3.997 6.141 ( -2.477 -0.024 -0.890) 2.632 6.170 ( 1.792 -0.633 0.290) 1.923 6.220 ( -0.500 1.194 -1.535) 2.008 6.279 ( 2.092 1.906 0.649) 2.904 6.301 ( 1.691 2.338 0.496) 2.928 6.510 ( 3.177 0.100 0.127) 3.181 6.513 ( 3.714 0.147 -0.361) 3.735 8.634 ( 0.150 -1.843 -0.327) 1.878 8.654 ( 0.259 -1.161 0.407) 1.257 9.586 ( -3.622 2.909 -1.531) 4.891 9.705 ( -4.408 2.680 2.836) 5.887 10.435 ( 0.096 4.564 3.341) 5.657 10.523 ( -2.705 2.434 -3.846) 5.294 10.697 ( 3.047 -2.230 2.229) 4.385 10.738 ( 0.973 -0.199 0.108) 0.999 10.863 ( 0.803 -0.058 -3.728) 3.814 10.978 ( 2.049 1.861 1.957) 3.390 11.038 ( 4.496 -3.694 -0.807) 5.874 11.134 ( 4.536 -1.327 -0.403) 4.743 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 13.445 5.934 4.140) 15.268 1.278 ( 5.386 6.519 4.876) 9.761 1.439 ( 7.364 3.330 -2.187) 8.372 1.444 ( 4.437 -2.084 1.944) 5.273 1.541 ( 0.043 4.050 -6.564) 7.713 1.657 ( -5.135 -0.415 -3.654) 6.316 1.793 ( 1.310 0.328 4.941) 5.122 1.846 ( -4.182 -1.322 0.235) 4.392 1.881 ( -4.345 -2.094 -3.544) 5.985 2.046 ( -0.334 0.561 -1.131) 1.306 2.083 ( -4.273 1.617 2.977) 5.453 2.149 ( -0.871 2.140 -0.699) 2.413 2.268 ( 0.127 -0.147 2.165) 2.173 2.348 ( 1.681 5.173 0.577) 5.470 2.372 ( 4.482 -0.037 -3.254) 5.539 2.400 ( 0.095 -1.079 6.808) 6.893 2.442 ( -1.040 1.978 4.856) 5.345 2.490 ( 3.992 -0.736 -5.844) 7.115 2.559 ( -3.149 1.521 0.196) 3.502 2.606 ( 3.174 0.742 -1.806) 3.727 2.657 ( -1.760 -3.747 -0.353) 4.155 2.770 ( 0.852 0.263 -1.942) 2.138 2.791 ( 1.382 -7.257 1.216) 7.487 2.918 ( -2.004 -3.971 -1.511) 4.698 2.934 ( -2.513 -4.571 0.806) 5.278 2.974 ( 0.388 -5.973 -2.351) 6.431 3.056 ( 1.321 -3.278 0.438) 3.561 3.069 ( 1.904 -3.972 1.492) 4.650 3.132 ( 1.177 -1.976 1.865) 2.961 3.180 ( 0.997 2.412 -2.216) 3.424 3.229 ( -2.368 3.147 -0.244) 3.946 3.338 ( 4.312 -3.353 3.133) 6.297 3.364 ( 0.410 -4.418 1.970) 4.855 3.423 ( -1.267 -4.919 -3.396) 6.111 3.447 ( -1.216 -0.363 -0.190) 1.283 3.495 ( 1.894 -3.862 1.175) 4.459 3.528 ( 0.409 -1.683 0.913) 1.958 3.544 ( 1.441 2.337 0.806) 2.861 3.623 ( 2.993 -2.590 -1.266) 4.156 3.652 ( 1.171 -0.378 -0.485) 1.322 3.707 ( -3.399 -2.705 2.484) 5.004 3.711 ( -1.699 0.717 0.930) 2.065 3.772 ( -2.379 0.550 -1.939) 3.118 3.875 ( 1.492 0.234 -3.891) 4.174 3.905 ( -1.473 0.429 1.711) 2.298 3.925 ( -1.837 1.545 -1.358) 2.758 3.990 ( 0.156 1.708 2.860) 3.335 4.013 ( 0.270 2.585 -0.627) 2.673 4.099 ( -0.266 -0.572 -2.160) 2.250 4.132 ( -0.685 1.363 0.232) 1.543 4.157 ( 2.406 -0.107 2.512) 3.480 4.216 ( 0.772 3.976 -0.550) 4.087 4.229 ( -0.078 0.765 -2.166) 2.298 4.271 ( 0.129 1.682 0.434) 1.742 4.339 ( -0.582 2.327 1.124) 2.649 4.372 ( 1.418 -2.117 0.127) 2.551 4.454 ( -1.560 1.485 -0.511) 2.214 4.542 ( -1.907 -2.271 -2.900) 4.148 4.562 ( 2.543 -0.680 -0.296) 2.649 4.589 ( -0.871 2.398 1.187) 2.814 4.705 ( -1.053 4.925 1.216) 5.181 4.710 ( -3.228 0.024 -2.838) 4.298 4.738 ( -3.854 -1.366 -0.685) 4.146 4.828 ( -0.028 0.836 -0.300) 0.889 4.832 ( 2.812 -1.747 2.662) 4.248 4.915 ( 2.503 1.975 2.316) 3.941 4.994 ( 1.230 -0.852 -4.393) 4.641 5.022 ( -2.400 -0.079 -0.250) 2.414 5.065 ( 1.158 -1.610 0.074) 1.985 5.104 ( 0.636 1.674 -1.588) 2.393 5.148 ( 0.192 -1.201 -0.004) 1.217 5.162 ( -1.909 0.227 -0.421) 1.968 5.183 ( -3.723 -1.528 0.877) 4.119 5.328 ( -1.220 3.375 0.538) 3.629 5.412 ( -0.471 0.354 0.178) 0.616 5.505 ( -2.246 0.061 1.231) 2.562 5.522 ( -0.365 -0.098 0.447) 0.586 5.634 ( -0.136 -2.374 -0.626) 2.459 5.673 ( -0.902 -2.031 0.989) 2.433 5.706 ( 0.759 -3.936 -0.029) 4.008 5.741 ( -0.437 1.876 0.369) 1.961 5.857 ( 0.857 1.321 1.606) 2.249 5.876 ( 0.931 0.442 1.990) 2.241 5.895 ( -0.972 2.114 -1.034) 2.546 5.968 ( -2.977 2.231 -3.453) 5.075 5.998 ( -0.158 0.120 0.786) 0.810 6.016 ( 0.415 -0.495 -0.058) 0.648 6.020 ( 1.190 0.148 -0.156) 1.209 6.092 ( -1.557 -0.516 -0.361) 1.679 6.154 ( 1.235 0.549 0.085) 1.354 6.192 ( -0.316 0.467 -0.532) 0.775 6.225 ( 2.616 0.686 1.712) 3.201 6.276 ( -0.560 1.176 -1.916) 2.317 6.362 ( 1.677 2.559 1.076) 3.243 6.552 ( 0.998 0.301 0.129) 1.051 6.565 ( 1.854 -0.936 0.350) 2.106 8.633 ( 0.213 -1.779 -0.263) 1.811 8.664 ( 0.125 -1.663 0.387) 1.712 9.516 ( -1.907 3.458 -1.031) 4.081 9.668 ( -2.133 0.580 1.447) 2.642 10.454 ( -0.444 3.502 -1.287) 3.758 10.476 ( 0.048 5.655 1.106) 5.763 10.724 ( 0.067 -2.388 0.067) 2.390 10.783 ( 1.290 -2.648 1.552) 3.330 10.836 ( 0.449 0.799 -2.298) 2.474 11.032 ( 1.187 1.763 1.637) 2.683 11.076 ( 1.334 -2.629 -1.151) 3.164 11.191 ( 1.969 -1.915 -0.188) 2.753 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 20.426 0.000) 20.426 0.987 ( 0.000 22.812 0.000) 22.812 1.224 ( 0.000 5.929 0.000) 5.929 1.380 ( 0.000 21.583 0.000) 21.583 1.468 ( 0.000 -0.409 0.000) 0.409 1.681 ( 0.000 -3.245 0.000) 3.245 1.737 ( 0.000 0.873 0.000) 0.873 1.815 ( 0.000 -6.836 0.000) 6.836 1.923 ( 0.000 -2.815 0.000) 2.815 1.985 ( 0.000 -5.702 0.000) 5.702 2.012 ( 0.000 1.198 0.000) 1.198 2.160 ( 0.000 -6.083 0.000) 6.083 2.189 ( 0.000 -4.246 0.000) 4.246 2.335 ( 0.000 -0.930 0.000) 0.930 2.368 ( 0.000 -1.898 0.000) 1.898 2.378 ( 0.000 -0.850 0.000) 0.850 2.485 ( 0.000 4.326 0.000) 4.326 2.552 ( 0.000 -0.174 0.000) 0.174 2.580 ( 0.000 -0.262 0.000) 0.262 2.641 ( 0.000 1.107 0.000) 1.107 2.656 ( 0.000 -3.647 0.000) 3.647 2.701 ( 0.000 0.541 0.000) 0.541 2.799 ( 0.000 -4.089 0.000) 4.089 2.849 ( 0.000 0.104 0.000) 0.104 2.860 ( 0.000 -3.338 0.000) 3.338 2.980 ( 0.000 -2.412 0.000) 2.412 2.998 ( 0.000 -3.808 0.000) 3.808 3.035 ( 0.000 -2.019 0.000) 2.019 3.035 ( 0.000 -5.670 0.000) 5.670 3.147 ( 0.000 -3.932 0.000) 3.932 3.165 ( 0.000 -0.437 0.000) 0.437 3.227 ( 0.000 2.047 0.000) 2.047 3.232 ( 0.000 -1.881 0.000) 1.881 3.253 ( 0.000 1.935 0.000) 1.935 3.379 ( 0.000 -0.789 0.000) 0.789 3.490 ( 0.000 -3.331 0.000) 3.331 3.502 ( 0.000 -0.995 0.000) 0.995 3.530 ( 0.000 -4.219 0.000) 4.219 3.639 ( 0.000 -2.495 0.000) 2.495 3.671 ( 0.000 -4.298 0.000) 4.298 3.734 ( 0.000 -1.492 0.000) 1.492 3.756 ( 0.000 -1.861 0.000) 1.861 3.818 ( 0.000 -5.192 0.000) 5.192 3.821 ( 0.000 -2.471 0.000) 2.471 3.872 ( 0.000 4.301 0.000) 4.301 3.916 ( 0.000 2.450 0.000) 2.450 3.963 ( 0.000 0.933 0.000) 0.933 4.024 ( 0.000 -1.985 0.000) 1.985 4.070 ( 0.000 3.340 0.000) 3.340 4.126 ( 0.000 2.761 0.000) 2.761 4.141 ( 0.000 3.840 0.000) 3.840 4.229 ( 0.000 4.285 0.000) 4.285 4.278 ( 0.000 1.772 0.000) 1.772 4.295 ( 0.000 -0.010 0.000) 0.010 4.433 ( 0.000 -0.882 0.000) 0.882 4.452 ( 0.000 -1.407 0.000) 1.407 4.515 ( 0.000 3.376 0.000) 3.376 4.528 ( 0.000 1.020 0.000) 1.020 4.605 ( 0.000 -1.752 0.000) 1.752 4.616 ( 0.000 -1.323 0.000) 1.323 4.690 ( 0.000 0.202 0.000) 0.202 4.737 ( 0.000 0.141 0.000) 0.141 4.763 ( 0.000 -2.853 0.000) 2.853 4.823 ( 0.000 -0.434 0.000) 0.434 4.878 ( 0.000 1.586 0.000) 1.586 4.919 ( 0.000 0.132 0.000) 0.132 4.966 ( 0.000 5.491 0.000) 5.491 5.063 ( 0.000 -0.048 0.000) 0.048 5.075 ( 0.000 -1.835 0.000) 1.835 5.142 ( 0.000 0.490 0.000) 0.490 5.211 ( 0.000 1.853 0.000) 1.853 5.317 ( 0.000 -1.644 0.000) 1.644 5.372 ( 0.000 0.826 0.000) 0.826 5.490 ( 0.000 -1.093 0.000) 1.093 5.573 ( 0.000 -1.686 0.000) 1.686 5.595 ( 0.000 2.774 0.000) 2.774 5.634 ( 0.000 -0.408 0.000) 0.408 5.673 ( 0.000 4.136 0.000) 4.136 5.681 ( 0.000 1.751 0.000) 1.751 5.731 ( 0.000 -0.207 0.000) 0.207 5.750 ( 0.000 2.701 0.000) 2.701 5.843 ( 0.000 -4.259 0.000) 4.259 5.875 ( 0.000 -0.351 0.000) 0.351 5.892 ( 0.000 -1.231 0.000) 1.231 5.894 ( 0.000 2.170 0.000) 2.170 5.932 ( 0.000 -1.155 0.000) 1.155 5.990 ( 0.000 -0.741 0.000) 0.741 6.029 ( 0.000 1.913 0.000) 1.913 6.068 ( 0.000 -1.200 0.000) 1.200 6.105 ( 0.000 1.334 0.000) 1.334 6.140 ( 0.000 0.423 0.000) 0.423 6.191 ( 0.000 0.604 0.000) 0.604 6.206 ( 0.000 -1.527 0.000) 1.527 6.257 ( 0.000 -0.522 0.000) 0.522 6.530 ( 0.000 1.772 0.000) 1.772 6.536 ( 0.000 2.652 0.000) 2.652 8.596 ( 0.000 -1.103 0.000) 1.103 8.628 ( 0.000 -2.118 0.000) 2.118 9.795 ( 0.000 5.910 0.000) 5.910 9.926 ( 0.000 1.594 0.000) 1.594 10.483 ( 0.000 3.228 0.000) 3.228 10.491 ( 0.000 2.262 0.000) 2.262 10.632 ( 0.000 -1.809 0.000) 1.809 10.644 ( 0.000 -2.924 0.000) 2.924 10.842 ( 0.000 5.735 0.000) 5.735 10.947 ( 0.000 2.590 0.000) 2.590 10.966 ( 0.000 1.242 0.000) 1.242 11.037 ( 0.000 0.336 0.000) 0.336 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 7.985 17.860 -2.024) 19.668 1.076 ( 4.947 20.704 7.077) 22.432 1.249 ( 5.429 3.849 -2.967) 7.286 1.460 ( 10.012 9.043 -0.114) 13.491 1.541 ( -2.378 2.644 -9.397) 10.048 1.687 ( 12.808 9.641 7.887) 17.866 1.794 ( 1.692 -6.566 -4.709) 8.256 1.878 ( 2.657 -3.834 5.585) 7.277 1.889 ( -0.292 -2.244 -0.270) 2.279 1.999 ( 1.618 -2.117 -2.047) 3.360 2.049 ( -0.422 -0.199 5.367) 5.387 2.137 ( -3.431 -4.600 3.294) 6.617 2.203 ( -6.081 -1.479 0.132) 6.260 2.259 ( 2.050 -1.277 1.085) 2.648 2.324 ( -3.056 -3.454 -2.512) 5.251 2.403 ( -2.241 1.627 -2.177) 3.523 2.482 ( -2.003 1.914 0.855) 2.899 2.530 ( 0.839 -4.780 -0.001) 4.853 2.578 ( -0.722 -0.524 2.317) 2.483 2.607 ( -0.619 1.862 3.625) 4.122 2.677 ( 0.573 1.420 0.090) 1.533 2.710 ( 1.466 -1.273 -1.890) 2.709 2.729 ( -2.290 -3.862 -7.678) 8.895 2.834 ( -2.112 -1.480 -0.657) 2.662 2.854 ( 0.067 -0.218 4.036) 4.042 2.945 ( -3.154 -1.684 1.787) 3.997 2.980 ( -3.302 -4.123 1.501) 5.491 3.011 ( -1.270 -6.593 -0.263) 6.719 3.058 ( -1.463 -4.409 -2.307) 5.187 3.136 ( 3.691 0.389 0.204) 3.717 3.188 ( 2.460 -1.032 -0.701) 2.759 3.235 ( 1.363 0.297 -2.789) 3.119 3.243 ( 2.269 -2.344 1.523) 3.600 3.346 ( 4.201 -2.555 1.333) 5.094 3.397 ( -3.674 -3.745 -4.605) 6.980 3.441 ( 3.295 -3.774 -2.097) 5.431 3.493 ( 1.596 1.049 0.342) 1.940 3.564 ( -0.945 -1.793 0.541) 2.098 3.622 ( 1.527 -1.143 -0.289) 1.929 3.656 ( 0.481 -2.350 -2.329) 3.344 3.747 ( 1.030 -2.428 0.991) 2.818 3.770 ( -1.949 -0.838 -2.826) 3.534 3.805 ( 1.979 -0.646 -0.798) 2.229 3.856 ( -0.955 -2.184 -1.003) 2.586 3.932 ( 0.877 1.749 4.283) 4.709 3.938 ( 3.066 1.324 4.431) 5.548 3.963 ( 0.413 -0.979 0.616) 1.228 4.006 ( -0.720 0.005 -0.108) 0.728 4.064 ( -1.018 4.127 -4.036) 5.861 4.093 ( 0.205 -1.033 2.646) 2.847 4.168 ( 0.969 3.976 0.803) 4.170 4.217 ( -0.485 0.358 -0.250) 0.653 4.248 ( -1.006 3.841 -0.816) 4.053 4.330 ( 1.097 0.503 0.220) 1.227 4.425 ( -1.378 -0.449 -1.466) 2.062 4.444 ( -0.201 3.232 -2.474) 4.075 4.478 ( 1.659 -3.017 -2.855) 4.473 4.530 ( -2.822 0.117 1.656) 3.274 4.602 ( -0.963 -2.121 1.545) 2.795 4.617 ( -0.659 2.893 1.698) 3.419 4.688 ( 0.534 -2.186 -1.039) 2.478 4.747 ( 0.335 -0.063 0.220) 0.406 4.776 ( 0.551 -2.840 1.346) 3.191 4.814 ( -2.610 0.171 3.071) 4.034 4.880 ( 0.966 1.778 -1.379) 2.449 4.934 ( 0.318 1.005 1.690) 1.992 4.977 ( 0.488 4.338 1.353) 4.571 5.030 ( -0.169 1.207 -3.390) 3.602 5.077 ( -0.805 -0.764 -0.705) 1.315 5.135 ( 0.782 -0.468 -2.393) 2.560 5.166 ( -2.330 0.159 -1.427) 2.737 5.282 ( -3.682 -0.995 -2.099) 4.353 5.378 ( -1.643 2.029 4.065) 4.831 5.463 ( -3.432 -1.352 0.081) 3.690 5.548 ( -5.798 -1.371 1.525) 6.150 5.556 ( -3.993 3.705 0.477) 5.468 5.594 ( -0.930 1.809 -1.045) 2.287 5.641 ( 0.770 0.580 -2.926) 3.081 5.671 ( -2.824 0.817 3.313) 4.429 5.708 ( -3.452 -1.797 -2.724) 4.750 5.806 ( 1.416 -0.672 1.755) 2.353 5.822 ( 1.655 -0.242 -1.372) 2.164 5.838 ( 0.894 2.295 0.334) 2.486 5.900 ( -0.208 -0.918 1.514) 1.783 5.932 ( 1.339 -0.913 -0.248) 1.640 5.956 ( 0.977 -0.237 0.013) 1.006 6.015 ( 1.762 0.135 1.789) 2.515 6.032 ( -1.256 0.712 1.416) 2.022 6.068 ( 2.202 1.380 -0.156) 2.603 6.107 ( 1.520 -1.714 -1.678) 2.840 6.172 ( 0.266 -1.400 0.369) 1.472 6.214 ( 1.809 -0.507 0.301) 1.903 6.251 ( 3.515 2.760 3.314) 5.563 6.309 ( 3.369 0.716 1.120) 3.621 6.505 ( 0.082 1.672 -2.808) 3.269 6.514 ( -0.582 1.780 -2.132) 2.838 8.598 ( -0.150 -1.367 0.478) 1.456 8.623 ( -0.122 -1.971 -0.376) 2.011 9.749 ( -4.900 5.231 0.233) 7.172 9.854 ( -5.122 2.997 -1.157) 6.047 10.491 ( -0.044 4.694 3.562) 5.893 10.567 ( 3.775 -0.409 1.199) 3.982 10.609 ( -0.099 -1.363 -1.543) 2.062 10.738 ( 6.565 -3.058 1.023) 7.314 10.821 ( -1.162 4.372 -0.390) 4.541 10.953 ( 0.531 1.019 -1.457) 1.855 10.979 ( 1.478 1.953 0.612) 2.524 11.050 ( 2.592 -0.674 -0.934) 2.836 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 13.137 12.246 0.674) 17.972 1.271 ( 7.775 13.314 6.869) 16.878 1.367 ( 5.354 10.189 1.749) 11.642 1.462 ( 6.037 4.264 -5.875) 9.442 1.652 ( 9.152 4.315 -1.668) 10.255 1.717 ( -0.147 0.073 -5.028) 5.031 1.848 ( -4.348 -0.358 -1.949) 4.779 1.896 ( -4.000 -1.698 3.194) 5.393 1.920 ( -0.491 -2.103 -4.996) 5.443 2.004 ( 2.727 -1.308 6.931) 7.562 2.061 ( 2.389 -1.791 1.083) 3.176 2.145 ( -7.609 -3.337 -1.091) 8.380 2.175 ( 1.341 -2.978 3.317) 4.655 2.287 ( 7.007 0.313 4.463) 8.314 2.359 ( 5.381 0.198 2.814) 6.076 2.407 ( 2.417 1.230 -3.689) 4.578 2.421 ( -2.227 0.575 -1.815) 2.930 2.503 ( -1.957 -1.402 2.146) 3.225 2.573 ( -1.062 1.026 -0.303) 1.508 2.622 ( 0.314 -0.567 -0.662) 0.926 2.652 ( -5.535 -2.349 1.049) 6.104 2.664 ( -1.459 -2.315 0.417) 2.768 2.746 ( 0.233 -1.628 2.647) 3.116 2.810 ( -1.550 -4.556 1.304) 4.987 2.870 ( -0.078 0.739 0.699) 1.020 2.949 ( 2.523 -2.589 -4.829) 6.032 2.973 ( 3.255 -2.348 2.726) 4.852 2.986 ( -2.680 -5.030 1.891) 6.005 3.024 ( -0.940 -4.067 -0.672) 4.228 3.170 ( 1.679 -1.553 0.407) 2.323 3.213 ( 0.100 -2.122 -4.007) 4.535 3.237 ( 1.757 -2.333 0.788) 3.025 3.292 ( 1.055 -2.617 1.751) 3.321 3.338 ( 0.544 -3.988 -0.126) 4.027 3.406 ( 1.939 -1.955 1.980) 3.392 3.431 ( 0.211 -3.499 -4.026) 5.338 3.534 ( 0.390 -0.318 -2.294) 2.349 3.549 ( 2.462 0.407 -0.425) 2.531 3.613 ( 0.257 -0.106 -0.916) 0.957 3.655 ( -3.196 4.357 -2.934) 6.149 3.700 ( -0.713 -1.041 -3.829) 4.032 3.765 ( 1.260 0.264 1.662) 2.102 3.792 ( 1.240 -3.518 -2.349) 4.408 3.884 ( 1.335 -0.745 2.350) 2.804 3.913 ( -2.315 -1.161 -0.176) 2.596 3.940 ( -2.904 0.343 0.382) 2.949 3.996 ( 0.251 1.330 -0.249) 1.377 4.041 ( 1.109 2.384 -0.607) 2.699 4.074 ( 4.131 -0.604 2.300) 4.767 4.148 ( 0.857 -0.488 2.707) 2.881 4.179 ( 1.214 -0.966 -0.418) 1.607 4.211 ( -0.805 3.592 -0.956) 3.803 4.256 ( 1.314 0.133 2.087) 2.470 4.317 ( -3.354 2.882 0.506) 4.450 4.355 ( -2.168 3.733 -2.573) 5.026 4.414 ( 0.756 2.575 -1.714) 3.184 4.497 ( 0.327 0.559 -0.334) 0.729 4.518 ( 2.981 -3.282 -2.949) 5.325 4.564 ( -2.855 -1.528 -0.665) 3.305 4.623 ( -2.357 -1.078 4.329) 5.045 4.694 ( -1.139 -0.713 0.816) 1.572 4.765 ( 0.825 -0.892 1.212) 1.716 4.779 ( -2.596 -1.144 1.192) 3.077 4.810 ( 0.235 1.031 2.181) 2.424 4.871 ( -0.091 2.272 -3.393) 4.085 4.948 ( -1.432 2.391 0.551) 2.841 4.984 ( 1.619 0.211 -2.751) 3.199 5.029 ( 0.223 2.018 1.122) 2.320 5.047 ( 0.139 2.104 0.479) 2.162 5.115 ( -0.943 -2.510 -1.231) 2.950 5.124 ( 0.380 -0.247 -2.658) 2.696 5.196 ( -3.936 -0.693 0.393) 4.016 5.337 ( -4.757 3.557 -1.856) 6.223 5.389 ( -4.261 -1.339 0.570) 4.502 5.441 ( -5.042 -1.632 -0.985) 5.390 5.520 ( -2.514 0.278 3.319) 4.173 5.566 ( -3.508 -0.855 -3.183) 4.813 5.597 ( 0.077 -0.402 0.647) 0.765 5.660 ( 0.167 1.105 -0.512) 1.230 5.686 ( -0.418 0.100 1.623) 1.679 5.792 ( -2.049 1.517 0.164) 2.555 5.828 ( 0.952 -1.315 0.853) 1.833 5.866 ( 0.078 2.172 1.272) 2.518 5.920 ( 0.054 -1.864 2.282) 2.947 5.967 ( -0.808 -0.282 0.554) 1.019 5.986 ( 1.465 -0.746 0.040) 1.645 5.993 ( 0.137 -0.157 0.561) 0.598 6.076 ( 1.232 2.102 0.070) 2.437 6.116 ( -0.745 -1.750 -1.083) 2.189 6.140 ( 4.630 1.709 0.947) 5.025 6.151 ( 0.920 -0.725 -0.487) 1.268 6.238 ( -1.266 0.372 -0.852) 1.570 6.331 ( 1.834 2.984 -1.675) 3.883 6.358 ( 3.339 3.300 1.954) 5.085 6.496 ( 2.296 -0.788 -1.458) 2.832 6.524 ( 2.325 0.287 0.282) 2.360 8.597 ( -0.105 -1.744 -0.203) 1.759 8.622 ( -0.123 -2.000 0.401) 2.044 9.659 ( -4.411 4.263 -0.671) 6.171 9.753 ( -5.742 1.884 0.542) 6.068 10.544 ( 0.948 5.379 1.654) 5.707 10.572 ( 0.230 2.987 0.077) 2.997 10.652 ( 2.449 -2.066 0.802) 3.303 10.756 ( -0.815 2.309 -1.575) 2.911 10.865 ( 2.237 -0.280 -1.460) 2.686 10.948 ( 1.538 -3.437 1.061) 3.912 11.028 ( 2.849 1.386 0.231) 3.177 11.101 ( 3.335 -1.931 -0.384) 3.872 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 11.068 7.353 0.990) 13.325 1.425 ( 4.687 0.877 0.740) 4.825 1.462 ( -1.441 10.505 5.891) 12.130 1.530 ( 1.961 5.912 -3.672) 7.231 1.646 ( 5.422 7.762 -3.432) 10.071 1.690 ( -4.909 3.247 -1.580) 6.094 1.814 ( -1.199 -0.627 2.821) 3.128 1.824 ( 0.754 0.476 -0.342) 0.955 1.878 ( -6.613 2.911 -3.059) 7.847 2.002 ( -0.479 -5.465 -0.592) 5.518 2.111 ( 1.730 -0.728 3.617) 4.075 2.147 ( 4.335 0.691 0.788) 4.460 2.277 ( 2.912 -2.137 2.982) 4.684 2.325 ( -3.047 -0.652 0.038) 3.116 2.378 ( -0.061 -4.678 0.563) 4.712 2.428 ( 4.814 -1.593 -4.264) 6.625 2.443 ( 1.241 1.411 -1.470) 2.385 2.508 ( -0.751 3.350 2.188) 4.071 2.537 ( -3.009 -2.746 -0.188) 4.078 2.587 ( -4.812 -4.060 -1.682) 6.517 2.637 ( 3.217 -0.350 2.487) 4.081 2.714 ( 2.973 -0.175 1.895) 3.530 2.756 ( 2.367 -1.727 1.166) 3.154 2.795 ( -1.605 -6.362 4.062) 7.717 2.861 ( -3.553 -3.597 -0.772) 5.115 2.881 ( -4.258 -1.974 -6.591) 8.092 2.953 ( 0.180 -4.832 -0.526) 4.864 3.007 ( 0.106 -2.160 -0.453) 2.209 3.083 ( 2.515 -2.518 4.690) 5.887 3.148 ( -0.032 -5.200 -3.649) 6.352 3.263 ( 3.668 -3.610 0.274) 5.154 3.297 ( 0.887 -3.467 2.910) 4.612 3.304 ( 1.057 1.735 1.348) 2.438 3.342 ( 1.015 -2.080 -2.253) 3.230 3.399 ( -1.702 -1.410 -0.115) 2.214 3.459 ( -0.744 -4.254 -0.144) 4.321 3.494 ( 0.047 1.987 0.098) 1.990 3.577 ( 1.516 -1.443 -1.436) 2.538 3.604 ( 0.851 3.354 0.078) 3.462 3.641 ( 2.394 0.508 1.599) 2.923 3.693 ( 2.054 2.010 -1.113) 3.082 3.749 ( -3.680 0.291 0.591) 3.738 3.767 ( -1.276 -0.611 -2.359) 2.751 3.879 ( -0.695 -1.066 -1.384) 1.880 3.885 ( -0.943 -1.768 0.231) 2.017 3.950 ( 1.100 -0.169 0.573) 1.252 3.999 ( 0.106 0.828 -0.479) 0.962 4.067 ( 1.405 1.841 0.320) 2.338 4.135 ( 0.897 1.790 0.119) 2.005 4.151 ( -0.798 -0.205 -0.312) 0.881 4.164 ( -1.372 3.779 0.122) 4.022 4.211 ( -0.421 -2.720 -0.010) 2.752 4.262 ( -1.457 -0.070 -0.222) 1.475 4.294 ( 2.544 2.489 2.390) 4.287 4.369 ( 2.015 2.839 1.415) 3.758 4.403 ( -0.755 2.718 -0.507) 2.866 4.457 ( -3.134 -1.310 -3.154) 4.635 4.512 ( 0.691 -0.297 -0.585) 0.953 4.559 ( 1.694 0.208 -0.987) 1.971 4.625 ( -3.804 0.546 -0.159) 3.846 4.649 ( -0.501 -3.842 1.833) 4.287 4.766 ( -0.688 -1.280 0.196) 1.466 4.787 ( -2.365 2.700 -0.991) 3.724 4.805 ( -0.330 2.476 0.642) 2.579 4.854 ( 2.935 2.173 3.333) 4.944 4.953 ( 1.755 0.396 0.118) 1.803 4.993 ( 1.485 0.321 -2.799) 3.185 5.021 ( -2.847 -0.522 -2.978) 4.153 5.027 ( -0.126 -0.466 0.623) 0.788 5.091 ( -0.600 -0.597 -0.952) 1.274 5.137 ( -0.382 -0.232 0.379) 0.586 5.159 ( -0.249 0.726 1.183) 1.410 5.242 ( -2.479 4.166 -0.844) 4.921 5.344 ( -1.089 -1.485 0.492) 1.906 5.380 ( -1.822 -3.435 0.874) 3.985 5.460 ( -2.410 -4.469 -1.964) 5.444 5.533 ( -0.920 0.510 0.554) 1.189 5.608 ( 0.327 1.188 0.112) 1.238 5.667 ( 0.230 0.641 0.512) 0.853 5.671 ( -1.002 0.278 -0.060) 1.041 5.784 ( 0.062 1.974 0.395) 2.014 5.870 ( 2.067 -0.716 1.155) 2.473 5.888 ( 0.613 1.716 1.839) 2.589 5.919 ( -1.830 -0.105 0.023) 1.833 5.959 ( -0.290 -0.742 2.067) 2.216 5.986 ( -0.633 -0.310 -1.980) 2.102 6.009 ( 0.527 -0.978 -0.095) 1.115 6.067 ( 0.522 1.844 -2.506) 3.154 6.078 ( -2.380 0.189 0.974) 2.578 6.170 ( 1.180 0.661 0.191) 1.366 6.199 ( -1.004 0.142 -0.819) 1.304 6.222 ( 2.295 -0.969 0.584) 2.559 6.325 ( 0.294 3.713 -1.606) 4.056 6.421 ( 1.749 3.139 0.575) 3.639 6.542 ( 1.981 -1.345 0.398) 2.427 6.557 ( 0.653 0.046 0.390) 0.762 8.595 ( 0.130 -1.903 -0.213) 1.919 8.623 ( -0.175 -2.364 0.320) 2.392 9.595 ( -1.792 4.175 -0.593) 4.582 9.683 ( -2.531 0.750 0.579) 2.702 10.533 ( -0.024 4.061 -1.159) 4.223 10.615 ( 0.706 8.154 2.010) 8.427 10.673 ( 0.113 -2.687 -0.272) 2.703 10.745 ( 0.285 -0.481 -0.035) 0.560 10.850 ( 0.079 0.289 -1.715) 1.741 11.003 ( 1.334 -4.122 1.437) 4.564 11.066 ( 1.194 0.910 -0.149) 1.509 11.142 ( 1.460 -2.856 -0.162) 3.212 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 12.028 0.000) 12.028 1.258 ( 0.000 1.486 0.000) 1.486 1.350 ( 0.000 13.169 0.000) 13.169 1.498 ( 0.000 6.118 0.000) 6.118 1.572 ( 0.000 -9.421 0.000) 9.421 1.663 ( 0.000 -5.632 0.000) 5.632 1.667 ( 0.000 2.323 0.000) 2.323 1.739 ( 0.000 -3.540 0.000) 3.540 1.863 ( 0.000 0.037 0.000) 0.037 1.939 ( 0.000 -4.149 0.000) 4.149 2.072 ( 0.000 3.496 0.000) 3.496 2.083 ( 0.000 3.864 0.000) 3.864 2.155 ( 0.000 4.297 0.000) 4.297 2.299 ( 0.000 -3.315 0.000) 3.315 2.299 ( 0.000 -3.793 0.000) 3.793 2.325 ( 0.000 -5.039 0.000) 5.039 2.543 ( 0.000 1.267 0.000) 1.267 2.573 ( 0.000 -1.902 0.000) 1.902 2.629 ( 0.000 5.811 0.000) 5.811 2.649 ( 0.000 6.187 0.000) 6.187 2.713 ( 0.000 4.316 0.000) 4.316 2.733 ( 0.000 3.015 0.000) 3.015 2.748 ( 0.000 -2.490 0.000) 2.490 2.798 ( 0.000 -3.128 0.000) 3.128 2.819 ( 0.000 -9.867 0.000) 9.867 2.863 ( 0.000 -10.028 0.000) 10.028 2.909 ( 0.000 4.122 0.000) 4.122 2.949 ( 0.000 -1.244 0.000) 1.244 3.021 ( 0.000 1.536 0.000) 1.536 3.110 ( 0.000 -5.323 0.000) 5.323 3.156 ( 0.000 3.768 0.000) 3.768 3.225 ( 0.000 -0.743 0.000) 0.743 3.282 ( 0.000 3.242 0.000) 3.242 3.314 ( 0.000 3.035 0.000) 3.035 3.333 ( 0.000 -3.434 0.000) 3.434 3.410 ( 0.000 -7.118 0.000) 7.118 3.464 ( 0.000 0.235 0.000) 0.235 3.480 ( 0.000 -1.238 0.000) 1.238 3.592 ( 0.000 -0.867 0.000) 0.867 3.607 ( 0.000 -2.057 0.000) 2.057 3.720 ( 0.000 -1.638 0.000) 1.638 3.720 ( 0.000 -0.449 0.000) 0.449 3.744 ( 0.000 -1.434 0.000) 1.434 3.755 ( 0.000 -3.121 0.000) 3.121 3.951 ( 0.000 2.821 0.000) 2.821 3.960 ( 0.000 1.347 0.000) 1.347 3.975 ( 0.000 0.430 0.000) 0.430 3.989 ( 0.000 -0.972 0.000) 0.972 4.127 ( 0.000 2.340 0.000) 2.340 4.153 ( 0.000 -0.169 0.000) 0.169 4.218 ( 0.000 4.071 0.000) 4.071 4.278 ( 0.000 -1.098 0.000) 1.098 4.300 ( 0.000 1.432 0.000) 1.432 4.308 ( 0.000 0.804 0.000) 0.804 4.398 ( 0.000 -1.069 0.000) 1.069 4.417 ( 0.000 -2.121 0.000) 2.121 4.550 ( 0.000 1.070 0.000) 1.070 4.569 ( 0.000 -0.106 0.000) 0.106 4.593 ( 0.000 2.423 0.000) 2.423 4.608 ( 0.000 0.780 0.000) 0.780 4.677 ( 0.000 -1.365 0.000) 1.365 4.689 ( 0.000 -3.286 0.000) 3.286 4.758 ( 0.000 1.525 0.000) 1.525 4.801 ( 0.000 -2.204 0.000) 2.204 4.913 ( 0.000 1.798 0.000) 1.798 4.932 ( 0.000 0.128 0.000) 0.128 5.044 ( 0.000 0.795 0.000) 0.795 5.054 ( 0.000 -0.646 0.000) 0.646 5.075 ( 0.000 3.441 0.000) 3.441 5.133 ( 0.000 -1.760 0.000) 1.760 5.240 ( 0.000 1.693 0.000) 1.693 5.281 ( 0.000 -2.232 0.000) 2.232 5.423 ( 0.000 4.090 0.000) 4.090 5.498 ( 0.000 0.115 0.000) 0.115 5.515 ( 0.000 -1.590 0.000) 1.590 5.576 ( 0.000 -3.440 0.000) 3.440 5.669 ( 0.000 2.393 0.000) 2.393 5.695 ( 0.000 -0.497 0.000) 0.497 5.743 ( 0.000 1.108 0.000) 1.108 5.761 ( 0.000 3.366 0.000) 3.366 5.770 ( 0.000 -1.132 0.000) 1.132 5.809 ( 0.000 2.764 0.000) 2.764 5.837 ( 0.000 -3.335 0.000) 3.335 5.860 ( 0.000 -2.197 0.000) 2.197 5.909 ( 0.000 -0.044 0.000) 0.044 5.912 ( 0.000 -0.556 0.000) 0.556 6.002 ( 0.000 1.537 0.000) 1.537 6.034 ( 0.000 -1.692 0.000) 1.692 6.089 ( 0.000 3.413 0.000) 3.413 6.132 ( 0.000 1.021 0.000) 1.021 6.147 ( 0.000 -0.085 0.000) 0.085 6.158 ( 0.000 -3.097 0.000) 3.097 6.211 ( 0.000 1.444 0.000) 1.444 6.239 ( 0.000 -1.301 0.000) 1.301 6.562 ( 0.000 1.194 0.000) 1.194 6.568 ( 0.000 0.652 0.000) 0.652 8.583 ( 0.000 -0.114 0.000) 0.114 8.594 ( 0.000 -1.244 0.000) 1.244 9.893 ( 0.000 3.970 0.000) 3.970 9.938 ( 0.000 -0.663 0.000) 0.663 10.536 ( 0.000 2.240 0.000) 2.240 10.541 ( 0.000 2.555 0.000) 2.555 10.590 ( 0.000 -2.379 0.000) 2.379 10.596 ( 0.000 -2.009 0.000) 2.009 10.944 ( 0.000 4.206 0.000) 4.206 10.980 ( 0.000 -0.007 0.000) 0.007 10.988 ( 0.000 1.789 0.000) 1.789 11.025 ( 0.000 -1.647 0.000) 1.647 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.529 11.502 -2.267) 12.568 1.305 ( 7.541 1.462 -1.881) 7.908 1.414 ( 4.796 11.338 2.342) 12.531 1.527 ( 4.967 0.267 0.963) 5.066 1.611 ( 2.161 4.790 -5.584) 7.668 1.666 ( 2.147 -2.814 0.966) 3.669 1.742 ( 5.879 -5.290 -0.527) 7.926 1.764 ( 1.712 -6.995 1.989) 7.471 1.916 ( 4.882 3.438 1.203) 6.091 2.020 ( 2.045 -5.112 1.826) 5.801 2.054 ( -3.768 0.869 0.877) 3.965 2.080 ( 0.009 2.697 3.419) 4.355 2.143 ( 0.611 0.148 -1.159) 1.318 2.219 ( -3.741 -0.396 2.432) 4.479 2.310 ( -2.623 0.440 0.524) 2.711 2.389 ( -0.026 -6.750 5.516) 8.717 2.483 ( -2.779 5.603 -0.046) 6.254 2.533 ( -2.152 1.533 -0.982) 2.819 2.596 ( -3.142 2.960 -2.546) 5.012 2.635 ( -0.086 -2.153 -3.591) 4.188 2.694 ( -0.800 1.349 -3.709) 4.027 2.708 ( -1.815 0.720 -1.040) 2.212 2.753 ( -2.112 0.483 2.616) 3.397 2.770 ( 3.328 -2.038 -1.184) 4.078 2.832 ( -0.744 -5.944 0.445) 6.007 2.853 ( 2.136 -2.557 -0.218) 3.339 2.917 ( -0.464 1.110 4.971) 5.115 2.958 ( -1.400 -0.903 1.685) 2.369 3.024 ( -3.948 2.532 0.805) 4.759 3.128 ( -0.614 -5.507 0.220) 5.545 3.155 ( 2.460 2.015 0.105) 3.181 3.217 ( 0.686 -3.060 -2.411) 3.956 3.263 ( -1.330 1.652 -1.413) 2.549 3.292 ( -1.782 -1.632 -0.407) 2.450 3.327 ( 2.103 -0.930 -0.719) 2.410 3.369 ( 1.260 -3.712 -4.244) 5.778 3.513 ( 3.659 0.598 -0.786) 3.790 3.530 ( 1.721 -1.336 0.856) 2.341 3.605 ( 3.961 -0.240 -0.409) 3.989 3.619 ( 1.991 -1.416 -1.755) 3.008 3.710 ( 1.435 -0.561 -0.446) 1.604 3.734 ( 0.513 -2.549 -2.508) 3.613 3.798 ( 1.433 0.200 1.401) 2.014 3.816 ( 0.504 -1.730 1.494) 2.340 3.945 ( 1.435 0.312 0.732) 1.640 3.956 ( 0.916 0.271 3.693) 3.815 3.977 ( -1.613 0.665 1.106) 2.066 3.983 ( -1.015 -0.494 0.569) 1.264 4.120 ( -1.118 3.275 1.173) 3.654 4.153 ( -2.309 3.973 -5.233) 6.964 4.183 ( 1.463 -1.684 2.023) 3.011 4.220 ( -2.475 -1.213 -3.116) 4.160 4.318 ( 0.291 2.603 1.374) 2.958 4.334 ( 0.790 0.133 0.869) 1.182 4.411 ( 3.418 -0.729 -2.588) 4.348 4.419 ( -0.520 -1.266 1.357) 1.927 4.535 ( -3.251 3.079 -0.357) 4.491 4.540 ( 0.294 2.137 -2.725) 3.476 4.559 ( -1.208 -1.574 -0.750) 2.121 4.621 ( -0.352 -4.026 -1.581) 4.339 4.672 ( -0.877 2.341 3.776) 4.529 4.717 ( -0.540 -2.470 2.766) 3.747 4.761 ( 0.621 0.928 0.443) 1.201 4.793 ( -0.886 -1.922 0.318) 2.140 4.919 ( 0.715 1.578 -0.620) 1.840 4.942 ( 0.935 -0.646 -0.450) 1.223 5.031 ( -1.930 1.362 0.286) 2.380 5.049 ( -0.228 -0.702 0.822) 1.104 5.083 ( 1.194 3.609 -0.501) 3.834 5.133 ( 0.915 -1.265 -1.453) 2.133 5.198 ( -2.494 2.712 -1.815) 4.107 5.248 ( -2.731 -2.351 -1.586) 3.937 5.423 ( -3.539 2.624 3.911) 5.891 5.454 ( -4.511 0.088 0.054) 4.512 5.515 ( -3.828 -0.872 1.080) 4.072 5.552 ( -1.231 -3.187 -2.180) 4.053 5.632 ( -4.538 -0.312 -1.263) 4.721 5.641 ( -2.128 -0.469 -0.691) 2.286 5.671 ( -2.461 3.086 0.736) 4.015 5.718 ( -2.465 -0.304 1.676) 2.996 5.803 ( 0.588 1.077 -0.085) 1.230 5.830 ( 0.239 -0.199 -0.564) 0.644 5.865 ( 1.390 0.588 1.032) 1.828 5.884 ( 0.992 -0.579 0.021) 1.149 5.928 ( 2.308 0.381 -1.511) 2.785 5.939 ( 3.194 -1.022 -0.816) 3.452 6.018 ( 1.322 0.651 1.227) 1.918 6.039 ( 0.292 -0.784 -0.272) 0.880 6.083 ( 0.589 1.148 -0.376) 1.344 6.114 ( 0.579 0.359 0.856) 1.094 6.141 ( -0.188 -0.219 1.190) 1.225 6.180 ( 0.983 -2.408 2.264) 3.448 6.302 ( 5.462 1.907 2.430) 6.275 6.319 ( 4.974 0.029 1.746) 5.272 6.531 ( -1.057 0.937 -2.970) 3.289 6.536 ( -1.310 0.447 -2.794) 3.118 8.582 ( -0.378 -0.237 0.284) 0.529 8.591 ( -0.268 -1.201 0.011) 1.230 9.838 ( -5.370 3.625 -0.343) 6.488 9.878 ( -5.356 -0.465 -0.778) 5.432 10.564 ( 1.798 1.239 1.083) 2.437 10.582 ( 0.399 -0.383 -0.457) 0.718 10.592 ( 3.748 3.380 2.123) 5.475 10.671 ( 5.225 -3.835 2.745) 7.038 10.911 ( -2.151 4.120 -2.048) 5.079 10.959 ( -1.303 -0.780 -2.256) 2.719 11.010 ( 1.689 1.209 0.440) 2.123 11.032 ( 1.599 -1.162 -0.265) 1.995 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 8.849 10.526 0.329) 13.755 1.434 ( 3.725 2.086 0.359) 4.284 1.546 ( 8.937 6.324 1.880) 11.108 1.619 ( 3.505 8.642 5.184) 10.669 1.672 ( 1.667 -1.003 -3.542) 4.041 1.714 ( 11.171 1.629 -3.715) 11.885 1.772 ( 0.461 -5.007 0.153) 5.030 1.828 ( 1.952 -6.642 -0.884) 6.979 1.900 ( -4.731 3.389 -2.625) 6.385 1.994 ( -2.196 -4.600 0.278) 5.105 2.054 ( 1.539 0.735 1.882) 2.539 2.134 ( 3.440 6.794 -1.401) 7.743 2.135 ( -0.589 -4.827 -1.693) 5.149 2.268 ( 6.512 -6.465 2.113) 9.416 2.285 ( -3.128 2.560 4.881) 6.337 2.376 ( -7.055 -4.983 3.630) 9.369 2.476 ( 1.175 3.048 -1.945) 3.802 2.499 ( -0.328 1.664 -1.810) 2.480 2.555 ( -0.568 -0.814 4.404) 4.514 2.584 ( -4.749 -3.925 0.632) 6.194 2.637 ( -1.950 0.489 -1.065) 2.275 2.660 ( 0.445 -0.045 -4.563) 4.585 2.752 ( -3.168 -0.040 4.351) 5.382 2.784 ( -3.093 -1.171 -1.415) 3.598 2.851 ( 2.849 0.540 1.957) 3.499 2.915 ( -3.997 1.058 0.070) 4.135 2.943 ( 5.505 -0.739 0.604) 5.587 2.967 ( -1.980 1.696 0.302) 2.624 2.976 ( 1.831 -0.845 2.680) 3.354 3.074 ( -2.937 -7.104 0.247) 7.691 3.210 ( 1.777 -0.254 1.483) 2.329 3.224 ( -0.014 2.859 -1.736) 3.345 3.234 ( 2.519 -2.864 -0.029) 3.814 3.283 ( -1.405 -2.174 2.400) 3.530 3.374 ( 3.653 -1.258 -0.684) 3.924 3.377 ( 3.054 -1.795 -3.050) 4.675 3.526 ( 0.991 0.383 -1.967) 2.236 3.546 ( 1.486 -0.949 -1.421) 2.265 3.654 ( 2.601 3.113 -1.598) 4.360 3.690 ( 3.970 -0.061 -5.055) 6.428 3.714 ( 3.269 0.245 -0.224) 3.285 3.730 ( 0.966 -2.468 -0.848) 2.783 3.767 ( -1.848 1.611 0.151) 2.456 3.826 ( -0.993 -3.668 1.281) 4.010 3.921 ( -2.944 0.834 -1.779) 3.540 3.934 ( -3.681 -0.622 -0.843) 3.827 4.010 ( 1.875 1.077 1.538) 2.654 4.051 ( 2.854 -1.714 1.389) 3.607 4.100 ( 1.916 1.249 -1.041) 2.513 4.118 ( 0.955 -0.784 -1.008) 1.595 4.171 ( -0.854 1.726 0.406) 1.968 4.227 ( -0.007 -2.318 1.882) 2.986 4.313 ( -1.830 4.162 1.144) 4.688 4.360 ( -1.109 0.425 2.049) 2.369 4.409 ( -1.002 1.530 -1.113) 2.141 4.445 ( 2.184 -0.391 -0.249) 2.233 4.501 ( -0.213 2.418 -1.535) 2.872 4.505 ( -2.146 0.103 0.464) 2.198 4.531 ( 0.888 0.123 -1.959) 2.154 4.592 ( -1.302 -4.010 -0.466) 4.241 4.685 ( -2.175 0.830 2.879) 3.703 4.717 ( -2.469 -2.363 1.400) 3.693 4.790 ( 1.453 0.856 1.458) 2.229 4.804 ( 2.521 -0.731 0.691) 2.714 4.920 ( 0.971 1.357 -1.580) 2.298 4.952 ( 1.527 -2.205 -1.626) 3.137 4.993 ( -3.043 3.111 -0.804) 4.426 5.043 ( -2.138 -1.472 -0.079) 2.596 5.099 ( -0.841 2.696 -0.781) 2.930 5.122 ( -0.861 1.412 1.569) 2.279 5.149 ( 0.548 1.956 -1.569) 2.567 5.173 ( -2.799 -1.249 -0.720) 3.148 5.362 ( -4.875 -0.533 -0.009) 4.904 5.377 ( -4.370 -0.811 1.337) 4.642 5.400 ( -6.642 0.259 -2.187) 6.998 5.453 ( -4.712 -4.359 -2.969) 7.072 5.610 ( -0.860 1.789 -0.494) 2.045 5.623 ( -0.751 2.305 0.659) 2.512 5.656 ( 0.413 0.683 1.235) 1.471 5.705 ( -1.753 -0.790 2.075) 2.829 5.800 ( 0.722 -0.188 -1.266) 1.469 5.811 ( -1.450 -0.536 1.589) 2.217 5.895 ( 0.587 0.903 1.805) 2.102 5.916 ( 0.144 0.046 2.849) 2.853 5.943 ( 0.832 0.246 -0.158) 0.882 5.969 ( 1.168 -1.173 -0.409) 1.705 6.015 ( -1.422 1.720 -0.685) 2.335 6.060 ( -0.155 -2.925 -0.263) 2.941 6.105 ( 2.634 1.058 -0.581) 2.898 6.130 ( 1.713 -1.386 -0.079) 2.205 6.192 ( 2.396 2.673 1.736) 3.987 6.230 ( 0.179 -1.208 0.800) 1.459 6.382 ( 2.300 2.143 -1.602) 3.528 6.402 ( 3.540 0.540 0.310) 3.594 6.494 ( 1.164 0.915 -1.409) 2.044 6.518 ( 1.621 -0.996 -0.104) 1.905 8.576 ( -0.381 -0.295 0.023) 0.483 8.587 ( -0.394 -1.362 0.273) 1.444 9.733 ( -5.332 3.025 -0.444) 6.146 9.767 ( -5.898 -0.502 -0.287) 5.926 10.585 ( 0.757 1.077 -0.667) 1.476 10.608 ( 1.384 -1.316 0.812) 2.076 10.692 ( 3.877 6.157 2.970) 7.859 10.786 ( 3.530 -2.058 0.272) 4.095 10.853 ( -0.956 1.291 -0.530) 1.692 10.898 ( -1.852 -2.188 -2.461) 3.778 11.049 ( 2.007 0.839 0.328) 2.200 11.068 ( 2.164 -1.313 -0.004) 2.531 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.393 4.103 0.624) 6.044 1.469 ( 0.194 2.606 1.522) 3.024 1.610 ( -0.097 5.373 -3.104) 6.206 1.667 ( 0.145 6.923 0.172) 6.927 1.738 ( -0.069 -3.646 -1.963) 4.142 1.764 ( 1.771 3.425 -1.249) 4.053 1.817 ( 0.664 0.819 4.606) 4.725 1.839 ( 2.149 -0.084 0.266) 2.167 1.899 ( 5.630 2.069 -0.962) 6.075 1.982 ( -0.610 3.313 -2.843) 4.408 2.084 ( 0.923 1.533 1.133) 2.118 2.164 ( 5.245 -1.036 3.580) 6.434 2.213 ( 5.293 -2.715 1.574) 6.153 2.258 ( -4.524 -6.359 1.512) 7.949 2.310 ( 0.060 -1.462 0.786) 1.661 2.363 ( 2.044 -5.315 -1.405) 5.865 2.410 ( -7.578 -0.237 -3.893) 8.523 2.461 ( -6.165 -4.820 -3.530) 8.584 2.553 ( -1.513 3.212 1.318) 3.787 2.602 ( 5.166 2.752 3.837) 6.998 2.612 ( 4.931 -1.282 3.257) 6.047 2.657 ( 0.431 -4.787 -0.572) 4.841 2.718 ( -2.961 0.130 -1.038) 3.141 2.760 ( -0.247 -1.478 2.847) 3.217 2.839 ( -4.601 1.302 0.387) 4.797 2.869 ( -3.640 -1.036 -1.850) 4.213 2.910 ( -1.040 1.946 -1.126) 2.477 2.991 ( -0.248 -2.959 0.542) 3.018 3.024 ( -0.345 -0.981 -0.025) 1.040 3.061 ( 2.748 -2.911 -1.101) 4.152 3.212 ( 0.098 -0.287 -1.024) 1.068 3.241 ( 0.121 -2.305 0.445) 2.351 3.311 ( 2.424 -0.512 3.362) 4.176 3.320 ( 2.790 -0.948 2.202) 3.679 3.387 ( 1.362 0.120 -1.324) 1.903 3.407 ( 0.094 -1.562 -0.542) 1.656 3.538 ( 0.536 2.205 -0.833) 2.417 3.564 ( 0.997 -0.435 -1.014) 1.487 3.653 ( 1.711 2.912 -2.740) 4.349 3.696 ( 0.805 2.359 -0.846) 2.633 3.718 ( 0.313 -1.625 -2.060) 2.642 3.745 ( -1.216 -1.279 -1.017) 2.037 3.759 ( 0.631 3.453 2.851) 4.522 3.833 ( -0.872 -2.730 1.052) 3.053 3.870 ( -0.843 -0.287 -1.180) 1.478 3.897 ( 1.259 -3.411 -0.424) 3.661 4.034 ( 0.519 2.012 -0.931) 2.277 4.085 ( 1.263 -2.267 -0.127) 2.598 4.122 ( 0.068 0.681 -1.039) 1.244 4.151 ( 2.624 -0.656 0.467) 2.745 4.177 ( -0.278 1.851 1.611) 2.470 4.233 ( -0.616 -2.421 0.772) 2.615 4.293 ( -2.764 5.444 0.803) 6.158 4.335 ( 0.360 0.891 1.852) 2.086 4.412 ( -1.038 1.087 -0.720) 1.667 4.432 ( -0.254 0.157 -1.195) 1.231 4.470 ( -0.306 2.115 -0.442) 2.182 4.493 ( -1.000 -1.297 0.317) 1.668 4.557 ( 1.706 0.105 -0.051) 1.710 4.587 ( 0.946 -2.360 0.789) 2.662 4.642 ( -3.369 1.467 -0.490) 3.707 4.697 ( -0.828 -4.033 0.908) 4.216 4.829 ( 0.207 0.811 -0.290) 0.886 4.835 ( -0.474 0.693 -1.515) 1.732 4.919 ( 0.139 3.794 0.211) 3.803 4.940 ( 1.528 -0.062 0.122) 1.534 4.961 ( 0.375 -2.120 -0.267) 2.170 4.988 ( -2.277 -2.877 -0.520) 3.706 5.083 ( 0.776 3.084 0.388) 3.203 5.116 ( -1.665 0.793 0.680) 1.965 5.152 ( 0.205 2.773 -0.522) 2.829 5.179 ( 1.178 1.612 0.709) 2.118 5.270 ( -3.596 -1.858 -2.183) 4.599 5.295 ( -2.569 -3.517 -0.471) 4.381 5.332 ( -2.098 0.128 0.982) 2.320 5.368 ( -1.809 -3.821 -1.290) 4.420 5.574 ( -0.824 4.034 -0.527) 4.151 5.644 ( 0.623 -0.957 0.598) 1.289 5.660 ( -0.406 0.935 0.047) 1.021 5.686 ( -1.290 -0.351 0.091) 1.340 5.807 ( 0.416 0.630 0.028) 0.756 5.829 ( 0.596 -2.123 1.006) 2.424 5.929 ( 0.648 1.942 1.798) 2.724 5.942 ( -0.591 2.520 2.866) 3.861 5.958 ( 0.194 -0.578 1.251) 1.391 5.977 ( 0.269 -0.595 -1.015) 1.206 5.993 ( 0.007 0.021 0.181) 0.183 6.031 ( -0.811 -2.859 -1.293) 3.241 6.131 ( 0.431 2.604 -1.280) 2.933 6.168 ( 2.144 -1.054 -0.400) 2.422 6.198 ( -1.623 -0.143 -0.562) 1.723 6.202 ( -0.991 -0.747 -0.825) 1.490 6.402 ( 1.582 3.857 -0.747) 4.235 6.453 ( 2.020 -0.740 -0.196) 2.161 6.529 ( 1.404 0.587 0.688) 1.670 6.549 ( 0.773 -0.890 0.621) 1.332 8.571 ( -0.092 -0.360 -0.056) 0.376 8.583 ( -0.242 -1.530 0.157) 1.557 9.661 ( -2.076 2.504 -0.242) 3.262 9.688 ( -2.522 -0.398 0.052) 2.554 10.590 ( 0.351 1.920 -0.271) 1.970 10.625 ( 0.109 -2.069 0.135) 2.076 10.770 ( 1.856 6.285 0.824) 6.605 10.777 ( -0.378 4.137 -0.496) 4.184 10.837 ( -0.679 -1.643 -1.725) 2.477 10.909 ( 1.288 -5.767 1.616) 6.126 11.078 ( 0.836 0.485 0.099) 0.971 11.096 ( 0.905 -1.673 -0.058) 1.904 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 16.548 0.000 22.110) 27.617 0.427 ( -2.411 0.000 22.797) 22.924 0.740 ( -11.462 0.000 37.429) 39.145 1.149 ( -11.166 0.000 -14.294) 18.138 1.296 ( 2.538 0.000 -21.409) 21.559 1.690 ( 7.513 0.000 0.854) 7.562 1.787 ( 12.092 0.000 -8.822) 14.968 1.853 ( -4.760 0.000 -3.292) 5.787 1.991 ( 1.621 0.000 0.997) 1.904 2.056 ( 0.547 0.000 6.370) 6.394 2.142 ( 1.629 0.000 10.780) 10.903 2.159 ( -0.978 0.000 -1.179) 1.532 2.237 ( 3.373 0.000 -2.472) 4.182 2.284 ( -3.642 0.000 -4.532) 5.814 2.345 ( -1.663 0.000 0.674) 1.794 2.473 ( 1.258 0.000 0.803) 1.493 2.520 ( 0.656 0.000 -2.956) 3.028 2.594 ( 3.091 0.000 -1.755) 3.555 2.670 ( -4.149 0.000 -1.032) 4.275 2.698 ( 0.539 0.000 0.310) 0.622 2.708 ( 4.837 0.000 0.930) 4.925 2.790 ( -4.760 0.000 4.243) 6.376 2.854 ( -1.391 0.000 -1.813) 2.285 2.883 ( -11.426 0.000 -1.657) 11.546 2.944 ( 3.764 0.000 -1.846) 4.192 2.996 ( -1.375 0.000 1.810) 2.273 2.996 ( 1.404 0.000 2.931) 3.250 3.070 ( -2.538 0.000 0.500) 2.587 3.104 ( 0.110 0.000 -0.193) 0.222 3.198 ( 1.509 0.000 -3.028) 3.383 3.203 ( 7.474 0.000 -0.387) 7.484 3.243 ( 0.567 0.000 1.420) 1.529 3.283 ( -4.530 0.000 -2.347) 5.102 3.413 ( 1.831 0.000 -0.939) 2.058 3.426 ( -5.478 0.000 -3.378) 6.436 3.489 ( 0.255 0.000 4.049) 4.057 3.563 ( 5.241 0.000 -7.335) 9.015 3.624 ( 0.406 0.000 3.830) 3.852 3.634 ( 0.217 0.000 0.544) 0.586 3.668 ( -0.204 0.000 -2.829) 2.837 3.794 ( 1.831 0.000 0.680) 1.953 3.795 ( -0.821 0.000 0.035) 0.822 3.866 ( 1.456 0.000 -0.741) 1.634 3.876 ( -0.576 0.000 0.572) 0.812 3.895 ( 0.296 0.000 1.426) 1.457 3.906 ( 0.405 0.000 -1.028) 1.105 3.947 ( -1.554 0.000 -0.175) 1.564 3.968 ( -0.887 0.000 6.111) 6.175 3.985 ( -0.815 0.000 1.119) 1.385 4.015 ( -1.192 0.000 -0.212) 1.210 4.088 ( -0.936 0.000 0.029) 0.937 4.166 ( 1.173 0.000 5.443) 5.568 4.229 ( 1.139 0.000 -4.084) 4.240 4.338 ( 1.840 0.000 -2.472) 3.081 4.380 ( 1.077 0.000 -0.449) 1.167 4.417 ( 5.185 0.000 -1.654) 5.442 4.428 ( -0.759 0.000 -0.426) 0.870 4.475 ( -3.202 0.000 -4.800) 5.770 4.630 ( -4.204 0.000 0.223) 4.210 4.661 ( 3.667 0.000 4.706) 5.966 4.687 ( 0.566 0.000 2.212) 2.283 4.730 ( -1.319 0.000 -3.460) 3.703 4.852 ( 2.883 0.000 3.177) 4.290 4.870 ( -4.674 0.000 -2.146) 5.143 4.906 ( -2.863 0.000 -1.393) 3.184 4.929 ( 2.525 0.000 1.609) 2.994 4.957 ( 0.262 0.000 -1.261) 1.288 5.012 ( -1.159 0.000 0.021) 1.159 5.080 ( -0.518 0.000 1.262) 1.364 5.114 ( 0.206 0.000 -1.932) 1.943 5.143 ( 1.267 0.000 -3.246) 3.485 5.196 ( 1.771 0.000 -6.972) 7.193 5.380 ( 1.186 0.000 6.719) 6.823 5.498 ( 0.051 0.000 -1.945) 1.946 5.537 ( -0.387 0.000 0.556) 0.677 5.554 ( 1.228 0.000 0.042) 1.229 5.614 ( 3.643 0.000 0.375) 3.663 5.626 ( -1.684 0.000 0.738) 1.839 5.690 ( -0.381 0.000 -2.629) 2.657 5.695 ( -1.171 0.000 1.818) 2.163 5.780 ( -4.379 0.000 5.245) 6.832 5.794 ( 1.652 0.000 1.811) 2.452 5.884 ( 0.139 0.000 2.721) 2.725 5.917 ( 2.787 0.000 1.603) 3.215 5.950 ( -1.709 0.000 1.656) 2.379 6.009 ( 0.938 0.000 -1.549) 1.811 6.023 ( 3.328 0.000 -1.073) 3.496 6.062 ( -3.797 0.000 0.886) 3.899 6.089 ( -0.354 0.000 -0.860) 0.930 6.165 ( 1.476 0.000 -1.516) 2.116 6.172 ( -1.827 0.000 -0.707) 1.959 6.181 ( 0.996 0.000 -2.905) 3.071 6.221 ( -8.211 0.000 3.010) 8.745 6.264 ( 5.377 0.000 4.009) 6.707 6.331 ( 1.843 0.000 -2.258) 2.914 6.411 ( -1.914 0.000 -2.381) 3.055 8.636 ( 0.387 0.000 0.690) 0.791 8.676 ( -0.513 0.000 -1.015) 1.137 9.678 ( 2.902 0.000 3.203) 4.322 9.815 ( -17.269 0.000 -2.531) 17.454 10.461 ( -0.609 0.000 5.197) 5.232 10.630 ( -0.573 0.000 1.395) 1.508 10.642 ( -0.851 0.000 -2.918) 3.039 10.713 ( -0.795 0.000 -2.189) 2.329 10.729 ( 20.209 0.000 1.734) 20.284 10.891 ( -1.892 0.000 -3.620) 4.085 10.896 ( -1.010 0.000 2.691) 2.875 10.993 ( 1.250 0.000 -2.170) 2.505 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 10.321 0.000 14.933) 18.153 0.842 ( 1.193 0.000 25.183) 25.212 0.875 ( 5.355 0.000 -13.526) 14.548 1.150 ( 15.667 0.000 -6.515) 16.968 1.206 ( 15.781 0.000 3.076) 16.078 1.632 ( -9.109 0.000 -5.295) 10.536 1.865 ( 7.132 0.000 6.987) 9.984 1.867 ( 13.139 0.000 -14.819) 19.805 1.970 ( -9.204 0.000 -4.633) 10.305 2.018 ( -2.412 0.000 -0.384) 2.442 2.118 ( -0.517 0.000 2.454) 2.508 2.250 ( 3.699 0.000 -2.316) 4.364 2.291 ( 0.340 0.000 0.259) 0.427 2.294 ( 1.727 0.000 3.392) 3.806 2.370 ( 1.336 0.000 7.980) 8.091 2.421 ( -7.053 0.000 -1.011) 7.125 2.504 ( 3.001 0.000 -4.056) 5.045 2.518 ( -6.938 0.000 -2.492) 7.372 2.602 ( -4.516 0.000 -1.220) 4.678 2.629 ( -7.261 0.000 -6.547) 9.777 2.736 ( -1.059 0.000 1.301) 1.678 2.765 ( -5.661 0.000 4.802) 7.423 2.846 ( 8.245 0.000 5.715) 10.032 2.863 ( 6.936 0.000 0.381) 6.947 2.943 ( -5.715 0.000 0.428) 5.731 3.030 ( 0.157 0.000 1.245) 1.255 3.063 ( 4.624 0.000 -0.355) 4.638 3.071 ( 0.884 0.000 -2.274) 2.440 3.076 ( -2.299 0.000 4.288) 4.865 3.166 ( -2.829 0.000 -3.647) 4.615 3.216 ( 4.736 0.000 -3.308) 5.777 3.272 ( 0.329 0.000 -3.074) 3.091 3.312 ( 0.793 0.000 5.442) 5.499 3.382 ( 6.707 0.000 -0.887) 6.765 3.450 ( 1.296 0.000 1.949) 2.341 3.518 ( -2.823 0.000 4.784) 5.555 3.540 ( 1.425 0.000 -6.578) 6.730 3.601 ( -1.398 0.000 -2.883) 3.204 3.631 ( -1.519 0.000 0.424) 1.577 3.662 ( 2.460 0.000 -0.980) 2.648 3.717 ( -5.649 0.000 -0.723) 5.695 3.781 ( -2.741 0.000 -0.825) 2.863 3.856 ( 0.553 0.000 -0.279) 0.620 3.879 ( 0.273 0.000 0.088) 0.286 3.939 ( 1.683 0.000 -0.456) 1.744 3.967 ( 1.994 0.000 -0.043) 1.994 3.970 ( 1.712 0.000 1.652) 2.378 3.992 ( 1.053 0.000 -0.898) 1.384 4.005 ( -1.979 0.000 6.542) 6.835 4.055 ( 3.566 0.000 3.592) 5.062 4.100 ( 3.339 0.000 -2.209) 4.003 4.182 ( -1.454 0.000 -3.830) 4.097 4.223 ( -0.237 0.000 3.166) 3.175 4.283 ( -3.787 0.000 -3.242) 4.986 4.383 ( -0.311 0.000 0.956) 1.005 4.391 ( -1.318 0.000 -3.676) 3.905 4.415 ( -0.373 0.000 0.849) 0.927 4.495 ( 6.502 0.000 -6.260) 9.025 4.556 ( -3.288 0.000 1.867) 3.781 4.654 ( -3.854 0.000 -1.386) 4.096 4.721 ( 0.633 0.000 2.735) 2.808 4.771 ( -0.121 0.000 -2.927) 2.929 4.782 ( 1.704 0.000 6.207) 6.437 4.853 ( -2.222 0.000 -2.760) 3.543 4.908 ( -4.095 0.000 0.721) 4.158 4.935 ( -1.957 0.000 -1.765) 2.635 4.977 ( 3.867 0.000 4.278) 5.767 5.024 ( 1.594 0.000 0.318) 1.625 5.065 ( -1.719 0.000 0.325) 1.749 5.107 ( 1.263 0.000 -2.418) 2.728 5.139 ( -0.881 0.000 -4.404) 4.492 5.141 ( 2.029 0.000 -1.886) 2.770 5.412 ( -3.443 0.000 1.582) 3.789 5.435 ( -6.475 0.000 -1.530) 6.653 5.505 ( -3.570 0.000 2.241) 4.215 5.522 ( -2.342 0.000 -0.990) 2.543 5.553 ( -2.968 0.000 -1.865) 3.505 5.633 ( -0.280 0.000 0.613) 0.674 5.729 ( 4.305 0.000 -0.420) 4.326 5.748 ( 3.681 0.000 1.757) 4.079 5.781 ( -1.394 0.000 1.592) 2.116 5.849 ( 2.264 0.000 1.006) 2.477 5.880 ( -4.783 0.000 3.635) 6.008 5.913 ( -5.045 0.000 -0.588) 5.080 5.958 ( 2.049 0.000 0.814) 2.205 6.004 ( -4.543 0.000 1.807) 4.889 6.021 ( 4.403 0.000 -0.813) 4.477 6.041 ( 0.068 0.000 -0.706) 0.709 6.063 ( -1.981 0.000 1.254) 2.344 6.148 ( -0.968 0.000 -2.919) 3.075 6.157 ( 1.635 0.000 0.783) 1.812 6.181 ( 1.868 0.000 -1.041) 2.139 6.232 ( 1.892 0.000 3.370) 3.865 6.286 ( -2.788 0.000 -2.777) 3.935 6.410 ( 5.986 0.000 1.860) 6.269 6.428 ( 5.625 0.000 -1.659) 5.864 8.654 ( -0.455 0.000 -1.105) 1.195 8.656 ( 0.728 0.000 1.072) 1.296 9.630 ( -6.428 0.000 0.107) 6.429 9.760 ( -0.454 0.000 6.311) 6.328 10.467 ( -3.793 0.000 5.485) 6.669 10.528 ( -5.352 0.000 -5.554) 7.713 10.683 ( 3.514 0.000 3.381) 4.877 10.707 ( 2.013 0.000 -1.119) 2.304 10.815 ( 0.532 0.000 -6.745) 6.766 10.916 ( 2.477 0.000 0.990) 2.668 10.976 ( 7.818 0.000 -1.287) 7.923 11.036 ( 5.523 0.000 -2.245) 5.962 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 18.602 0.000 -2.308) 18.745 1.109 ( 2.635 0.000 19.309) 19.488 1.180 ( 13.959 0.000 8.749) 16.474 1.222 ( 16.209 0.000 -13.993) 21.414 1.531 ( -1.651 0.000 4.859) 5.132 1.612 ( 14.002 0.000 0.827) 14.027 1.760 ( -7.656 0.000 -4.683) 8.975 1.926 ( 2.733 0.000 -11.986) 12.293 1.948 ( 5.273 0.000 -6.758) 8.572 1.989 ( -1.983 0.000 2.488) 3.182 2.127 ( -0.935 0.000 0.656) 1.142 2.196 ( -5.236 0.000 -3.585) 6.345 2.243 ( -4.344 0.000 -2.831) 5.185 2.304 ( -2.987 0.000 0.873) 3.112 2.311 ( 0.934 0.000 -2.737) 2.892 2.412 ( 3.052 0.000 -0.069) 3.053 2.478 ( -5.474 0.000 2.766) 6.133 2.482 ( 1.140 0.000 -4.215) 4.366 2.558 ( -0.922 0.000 -0.654) 1.130 2.570 ( -0.774 0.000 10.329) 10.358 2.722 ( 0.901 0.000 -0.644) 1.108 2.767 ( -0.488 0.000 6.484) 6.502 2.847 ( 0.099 0.000 -2.994) 2.995 2.965 ( 1.587 0.000 0.265) 1.608 2.991 ( 0.002 0.000 -2.359) 2.359 3.017 ( 1.623 0.000 1.198) 2.017 3.031 ( -2.537 0.000 -4.951) 5.564 3.051 ( 0.428 0.000 -0.267) 0.505 3.143 ( 1.540 0.000 6.935) 7.104 3.146 ( 1.983 0.000 0.594) 2.071 3.293 ( 6.785 0.000 -0.655) 6.817 3.333 ( 0.643 0.000 -1.353) 1.498 3.344 ( 1.186 0.000 4.944) 5.084 3.470 ( -0.595 0.000 -1.860) 1.953 3.488 ( 0.146 0.000 2.542) 2.546 3.509 ( 2.897 0.000 0.868) 3.024 3.513 ( 1.054 0.000 0.159) 1.066 3.539 ( -0.512 0.000 -4.248) 4.279 3.607 ( -0.392 0.000 -1.516) 1.566 3.643 ( -2.643 0.000 0.775) 2.755 3.705 ( 3.120 0.000 -1.515) 3.468 3.724 ( -2.644 0.000 0.124) 2.647 3.859 ( -1.245 0.000 -1.038) 1.621 3.863 ( 0.002 0.000 -1.323) 1.323 3.920 ( -4.283 0.000 0.967) 4.391 3.975 ( -0.471 0.000 2.232) 2.281 3.996 ( 0.625 0.000 -1.118) 1.281 4.041 ( 0.718 0.000 2.863) 2.952 4.060 ( -0.127 0.000 6.170) 6.171 4.118 ( 0.977 0.000 -2.758) 2.926 4.142 ( 0.311 0.000 4.628) 4.639 4.153 ( 2.554 0.000 -0.975) 2.733 4.188 ( -1.975 0.000 -0.876) 2.160 4.245 ( 1.326 0.000 0.106) 1.330 4.323 ( -1.224 0.000 -5.384) 5.522 4.394 ( -0.530 0.000 1.683) 1.765 4.428 ( 0.191 0.000 0.946) 0.965 4.502 ( 3.111 0.000 -7.628) 8.238 4.583 ( 1.384 0.000 4.325) 4.541 4.583 ( -1.813 0.000 -0.246) 1.829 4.733 ( -5.277 0.000 1.485) 5.482 4.747 ( -5.242 0.000 -0.465) 5.263 4.760 ( 0.159 0.000 -2.719) 2.724 4.843 ( -0.602 0.000 -0.161) 0.623 4.846 ( -0.795 0.000 1.777) 1.946 4.915 ( -0.531 0.000 7.489) 7.507 5.010 ( -2.091 0.000 -3.423) 4.011 5.020 ( 0.828 0.000 -1.550) 1.758 5.070 ( -1.922 0.000 -0.254) 1.939 5.096 ( 1.340 0.000 3.145) 3.419 5.125 ( 4.204 0.000 -5.145) 6.644 5.156 ( 0.097 0.000 -0.510) 0.519 5.302 ( -5.828 0.000 0.084) 5.829 5.334 ( -5.275 0.000 0.047) 5.275 5.439 ( -3.821 0.000 -0.126) 3.823 5.492 ( 0.181 0.000 -3.135) 3.140 5.531 ( -0.400 0.000 0.946) 1.028 5.646 ( 0.641 0.000 1.325) 1.472 5.717 ( -3.421 0.000 -3.335) 4.778 5.803 ( 1.412 0.000 3.413) 3.694 5.819 ( 1.837 0.000 1.233) 2.213 5.835 ( -2.342 0.000 0.947) 2.526 5.848 ( -2.791 0.000 2.462) 3.722 5.861 ( -0.107 0.000 -1.725) 1.729 5.941 ( -2.219 0.000 -0.580) 2.294 6.002 ( -2.029 0.000 -3.576) 4.111 6.003 ( 0.716 0.000 1.564) 1.721 6.062 ( -1.126 0.000 3.410) 3.591 6.090 ( 1.595 0.000 -3.073) 3.462 6.103 ( 2.618 0.000 -1.791) 3.172 6.186 ( 0.738 0.000 0.716) 1.028 6.195 ( 0.763 0.000 0.086) 0.768 6.253 ( 0.744 0.000 -0.590) 0.949 6.307 ( 2.460 0.000 1.667) 2.972 6.506 ( 3.477 0.000 0.506) 3.514 6.517 ( 4.917 0.000 -0.221) 4.921 8.644 ( 0.322 0.000 -0.440) 0.545 8.677 ( 0.449 0.000 0.582) 0.735 9.531 ( -4.438 0.000 -0.528) 4.469 9.757 ( -5.804 0.000 3.250) 6.652 10.408 ( -0.947 0.000 -4.631) 4.727 10.464 ( -2.894 0.000 4.473) 5.327 10.743 ( 1.223 0.000 -0.952) 1.550 10.775 ( 3.035 0.000 1.670) 3.464 10.784 ( 3.106 0.000 -2.384) 3.915 10.973 ( 2.816 0.000 0.650) 2.890 11.064 ( 3.416 0.000 0.118) 3.418 11.120 ( 6.355 0.000 -2.207) 6.727 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 8.023 0.000 -2.772) 8.488 1.308 ( -4.304 0.000 4.555) 6.267 1.385 ( 11.744 0.000 -0.667) 11.763 1.433 ( 6.581 0.000 3.869) 7.634 1.549 ( 1.882 0.000 -4.125) 4.534 1.566 ( -5.499 0.000 5.261) 7.610 1.820 ( 8.063 0.000 -4.951) 9.462 1.848 ( -1.572 0.000 1.209) 1.983 1.931 ( -4.406 0.000 2.973) 5.315 1.946 ( 3.621 0.000 -5.603) 6.671 2.087 ( -4.933 0.000 -4.577) 6.729 2.091 ( -4.394 0.000 0.496) 4.422 2.224 ( 7.724 0.000 -3.022) 8.294 2.273 ( -0.331 0.000 -0.100) 0.346 2.319 ( 3.732 0.000 -3.492) 5.111 2.345 ( -0.412 0.000 -8.348) 8.358 2.463 ( 3.190 0.000 -7.049) 7.737 2.487 ( -5.340 0.000 5.803) 7.886 2.567 ( 0.859 0.000 4.047) 4.137 2.618 ( -3.847 0.000 5.024) 6.328 2.768 ( 1.330 0.000 1.651) 2.120 2.789 ( -3.872 0.000 5.190) 6.475 2.874 ( 4.169 0.000 -1.543) 4.445 2.942 ( -0.480 0.000 -0.147) 0.502 2.984 ( 2.150 0.000 -2.414) 3.232 3.009 ( -1.492 0.000 1.262) 1.954 3.049 ( 4.485 0.000 -1.345) 4.682 3.071 ( 1.807 0.000 -0.208) 1.819 3.154 ( -0.701 0.000 -0.352) 0.784 3.186 ( -2.897 0.000 2.348) 3.728 3.297 ( -3.831 0.000 5.635) 6.814 3.396 ( -2.990 0.000 -5.126) 5.934 3.412 ( 1.731 0.000 -2.264) 2.850 3.421 ( 5.706 0.000 0.547) 5.732 3.480 ( -0.796 0.000 -0.543) 0.963 3.505 ( 0.654 0.000 -0.800) 1.033 3.542 ( -0.018 0.000 -1.129) 1.129 3.555 ( -1.836 0.000 2.569) 3.157 3.612 ( 3.865 0.000 -2.605) 4.661 3.630 ( -0.039 0.000 -1.452) 1.453 3.691 ( -1.001 0.000 -0.389) 1.074 3.725 ( 1.684 0.000 -1.359) 2.164 3.816 ( -1.134 0.000 -3.909) 4.070 3.827 ( -4.307 0.000 0.448) 4.330 3.866 ( 1.086 0.000 3.006) 3.197 3.971 ( -2.116 0.000 1.465) 2.573 4.009 ( -4.393 0.000 3.330) 5.512 4.029 ( 0.905 0.000 4.753) 4.838 4.114 ( -0.179 0.000 1.676) 1.685 4.126 ( 2.015 0.000 -1.080) 2.286 4.173 ( 0.535 0.000 -1.638) 1.723 4.198 ( -0.297 0.000 1.705) 1.731 4.226 ( -3.354 0.000 4.073) 5.276 4.246 ( 3.069 0.000 4.225) 5.222 4.274 ( 2.021 0.000 -2.653) 3.335 4.392 ( -0.596 0.000 -0.340) 0.686 4.440 ( 0.414 0.000 -0.863) 0.957 4.483 ( 4.468 0.000 -5.924) 7.420 4.549 ( -2.589 0.000 -4.535) 5.222 4.596 ( 1.155 0.000 2.253) 2.532 4.669 ( -5.422 0.000 2.878) 6.138 4.709 ( -0.848 0.000 -2.857) 2.980 4.752 ( 0.725 0.000 10.865) 10.890 4.860 ( 0.805 0.000 -0.848) 1.169 4.870 ( -1.127 0.000 4.268) 4.415 4.916 ( -2.061 0.000 -4.903) 5.318 4.996 ( 0.616 0.000 4.231) 4.275 5.042 ( 3.563 0.000 -2.067) 4.119 5.065 ( -0.573 0.000 4.559) 4.595 5.118 ( -2.535 0.000 -0.927) 2.700 5.125 ( -0.804 0.000 1.721) 1.899 5.148 ( 3.863 0.000 -4.313) 5.789 5.230 ( -2.450 0.000 -0.356) 2.475 5.256 ( -2.985 0.000 0.076) 2.986 5.393 ( -0.834 0.000 -1.241) 1.496 5.452 ( 0.748 0.000 -5.496) 5.547 5.530 ( -0.573 0.000 0.270) 0.633 5.622 ( -2.150 0.000 -3.510) 4.117 5.676 ( 0.681 0.000 0.761) 1.021 5.781 ( -2.183 0.000 -2.721) 3.488 5.815 ( -2.622 0.000 2.291) 3.482 5.838 ( 1.672 0.000 1.086) 1.993 5.846 ( -0.314 0.000 1.344) 1.381 5.885 ( -1.933 0.000 -0.959) 2.158 5.938 ( 0.138 0.000 3.623) 3.626 5.961 ( 2.905 0.000 1.074) 3.097 6.017 ( -0.249 0.000 -0.343) 0.423 6.061 ( 1.388 0.000 -3.007) 3.312 6.074 ( -1.609 0.000 2.736) 3.174 6.139 ( 1.629 0.000 -1.480) 2.201 6.198 ( -0.485 0.000 0.865) 0.991 6.218 ( 0.640 0.000 -1.059) 1.237 6.265 ( 0.871 0.000 0.913) 1.262 6.336 ( 0.401 0.000 -1.112) 1.182 6.548 ( 1.242 0.000 -0.053) 1.243 6.573 ( 1.557 0.000 -0.542) 1.649 8.651 ( 0.476 0.000 0.141) 0.497 8.682 ( -0.091 0.000 -0.293) 0.307 9.483 ( -1.115 0.000 1.542) 1.903 9.669 ( -4.033 0.000 -1.510) 4.306 10.396 ( 2.377 0.000 -0.839) 2.520 10.447 ( -3.089 0.000 1.830) 3.590 10.735 ( 0.956 0.000 -1.730) 1.976 10.806 ( 0.207 0.000 -1.526) 1.539 10.847 ( 1.897 0.000 2.980) 3.533 11.005 ( 0.614 0.000 -1.224) 1.370 11.115 ( 1.230 0.000 1.926) 2.285 11.192 ( 3.445 0.000 -1.423) 3.727 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -18.272 0.000 -0.290) 18.274 1.216 ( -9.787 0.000 0.688) 9.811 1.416 ( -1.825 0.000 -1.117) 2.140 1.480 ( -9.345 0.000 5.523) 10.855 1.623 ( 10.150 0.000 -0.409) 10.158 1.656 ( 5.210 0.000 -0.151) 5.212 1.814 ( -3.727 0.000 4.864) 6.127 1.850 ( 3.668 0.000 -3.988) 5.418 1.963 ( 0.924 0.000 -2.248) 2.430 1.964 ( 1.297 0.000 -5.406) 5.559 1.990 ( -4.363 0.000 -2.342) 4.952 2.095 ( 5.033 0.000 4.041) 6.454 2.207 ( -5.726 0.000 -9.043) 10.703 2.266 ( 3.384 0.000 -2.051) 3.957 2.307 ( 1.592 0.000 -0.711) 1.744 2.345 ( 1.599 0.000 -2.923) 3.331 2.363 ( -5.247 0.000 -0.634) 5.285 2.511 ( 5.997 0.000 -3.013) 6.711 2.598 ( -3.104 0.000 5.106) 5.976 2.627 ( 0.322 0.000 5.194) 5.204 2.763 ( -1.344 0.000 -0.492) 1.431 2.784 ( -1.539 0.000 1.279) 2.001 2.921 ( 1.009 0.000 -0.655) 1.203 2.938 ( 0.644 0.000 -2.942) 3.012 3.015 ( -0.403 0.000 2.735) 2.764 3.042 ( 3.076 0.000 0.398) 3.102 3.087 ( 3.081 0.000 0.376) 3.104 3.089 ( -5.556 0.000 0.491) 5.578 3.130 ( 1.301 0.000 -0.514) 1.399 3.162 ( 0.875 0.000 2.068) 2.246 3.269 ( -3.194 0.000 -4.837) 5.797 3.308 ( -4.732 0.000 6.957) 8.413 3.363 ( 0.568 0.000 -3.550) 3.596 3.468 ( -0.593 0.000 -0.367) 0.697 3.481 ( 0.352 0.000 -0.264) 0.440 3.492 ( -1.802 0.000 -0.229) 1.816 3.548 ( -1.395 0.000 1.333) 1.930 3.549 ( 4.742 0.000 -1.828) 5.082 3.618 ( -0.983 0.000 -1.472) 1.770 3.621 ( 1.540 0.000 -0.543) 1.633 3.685 ( 1.384 0.000 -1.169) 1.812 3.748 ( 0.159 0.000 -0.819) 0.834 3.768 ( 0.804 0.000 -1.154) 1.406 3.800 ( 2.912 0.000 -1.467) 3.261 3.960 ( -1.660 0.000 2.636) 3.115 3.971 ( 1.061 0.000 3.353) 3.517 3.996 ( -0.830 0.000 3.693) 3.785 4.031 ( -4.134 0.000 -0.869) 4.224 4.108 ( -2.330 0.000 3.243) 3.993 4.125 ( -3.822 0.000 0.163) 3.825 4.130 ( 1.474 0.000 0.746) 1.652 4.204 ( 1.811 0.000 1.469) 2.332 4.255 ( -1.120 0.000 -1.342) 1.748 4.289 ( -0.729 0.000 2.369) 2.478 4.323 ( 3.453 0.000 -0.800) 3.544 4.359 ( -0.206 0.000 -1.757) 1.769 4.416 ( -1.584 0.000 -0.899) 1.821 4.527 ( -1.156 0.000 3.604) 3.785 4.535 ( 5.160 0.000 -4.588) 6.904 4.634 ( -0.665 0.000 1.190) 1.363 4.635 ( 0.925 0.000 0.811) 1.230 4.718 ( 5.134 0.000 -0.364) 5.146 4.823 ( -0.646 0.000 -0.664) 0.926 4.844 ( -0.739 0.000 -2.266) 2.383 4.896 ( -2.079 0.000 5.656) 6.026 4.897 ( 1.810 0.000 7.381) 7.600 5.011 ( -1.185 0.000 0.067) 1.187 5.027 ( -1.595 0.000 -4.035) 4.339 5.073 ( -2.228 0.000 -0.785) 2.362 5.133 ( -0.222 0.000 7.938) 7.941 5.155 ( 2.302 0.000 2.322) 3.270 5.157 ( 2.390 0.000 -6.038) 6.494 5.230 ( 3.645 0.000 0.195) 3.650 5.262 ( 2.351 0.000 2.013) 3.095 5.360 ( 0.582 0.000 -5.273) 5.305 5.410 ( 2.090 0.000 -6.849) 7.161 5.539 ( 0.820 0.000 2.091) 2.246 5.567 ( 0.197 0.000 -3.620) 3.625 5.696 ( 0.873 0.000 0.988) 1.319 5.736 ( 0.100 0.000 -2.530) 2.532 5.815 ( -0.070 0.000 2.353) 2.354 5.821 ( -1.074 0.000 -1.038) 1.494 5.854 ( -1.167 0.000 2.887) 3.114 5.897 ( 1.979 0.000 0.656) 2.085 5.958 ( -2.497 0.000 0.788) 2.618 5.995 ( -0.853 0.000 -1.226) 1.493 6.005 ( 0.182 0.000 -0.444) 0.479 6.075 ( -1.677 0.000 4.312) 4.627 6.095 ( 3.186 0.000 -1.438) 3.496 6.155 ( 0.728 0.000 1.377) 1.557 6.182 ( -1.223 0.000 -1.064) 1.622 6.186 ( -0.283 0.000 -1.960) 1.980 6.290 ( 0.040 0.000 1.026) 1.027 6.302 ( -2.171 0.000 -1.592) 2.692 6.551 ( -1.120 0.000 0.263) 1.150 6.561 ( -1.675 0.000 -0.850) 1.878 8.660 ( 0.182 0.000 0.565) 0.593 8.669 ( -0.641 0.000 -0.720) 0.964 9.529 ( 2.757 0.000 3.777) 4.676 9.605 ( 0.129 0.000 -3.795) 3.798 10.397 ( -3.065 0.000 -0.512) 3.108 10.458 ( 3.928 0.000 1.593) 4.239 10.745 ( 0.749 0.000 0.185) 0.771 10.757 ( -2.647 0.000 -2.881) 3.912 10.903 ( 0.464 0.000 3.843) 3.871 10.972 ( -1.691 0.000 -2.435) 2.964 11.136 ( -1.483 0.000 1.734) 2.282 11.198 ( -1.093 0.000 -1.470) 1.832 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -19.424 0.000 8.483) 21.196 0.907 ( -23.160 0.000 1.224) 23.192 1.315 ( -6.494 0.000 9.229) 11.285 1.425 ( -32.107 0.000 -3.567) 32.304 1.604 ( -1.600 0.000 -12.768) 12.868 1.635 ( 10.565 0.000 4.875) 11.636 1.803 ( 0.624 0.000 -7.171) 7.199 1.821 ( -5.309 0.000 13.713) 14.705 1.936 ( 2.981 0.000 -10.226) 10.652 1.961 ( 2.797 0.000 -6.486) 7.063 1.981 ( 7.113 0.000 1.409) 7.251 2.068 ( -0.753 0.000 -2.027) 2.163 2.183 ( 3.507 0.000 0.405) 3.530 2.294 ( -1.767 0.000 -1.417) 2.265 2.310 ( -0.808 0.000 -1.915) 2.079 2.358 ( 6.810 0.000 -0.159) 6.812 2.423 ( 8.232 0.000 -0.186) 8.234 2.567 ( 0.966 0.000 0.963) 1.364 2.613 ( -0.204 0.000 1.227) 1.244 2.686 ( 0.521 0.000 1.612) 1.694 2.760 ( 0.162 0.000 3.701) 3.705 2.777 ( 0.420 0.000 1.353) 1.417 2.863 ( -8.753 0.000 -0.441) 8.764 2.893 ( -0.371 0.000 -4.077) 4.094 2.973 ( -2.213 0.000 0.711) 2.324 3.031 ( -0.577 0.000 1.582) 1.684 3.033 ( -0.848 0.000 -0.797) 1.164 3.121 ( 0.320 0.000 -1.920) 1.947 3.183 ( -0.270 0.000 2.902) 2.915 3.196 ( 0.884 0.000 -5.077) 5.154 3.202 ( -4.493 0.000 1.317) 4.682 3.288 ( -0.218 0.000 5.257) 5.262 3.405 ( 1.882 0.000 1.678) 2.521 3.448 ( -1.953 0.000 1.634) 2.546 3.449 ( -1.501 0.000 0.685) 1.650 3.500 ( -3.956 0.000 -0.927) 4.063 3.506 ( 1.745 0.000 -1.665) 2.412 3.601 ( -1.599 0.000 2.148) 2.678 3.609 ( 3.585 0.000 -2.298) 4.259 3.666 ( 3.258 0.000 -0.226) 3.266 3.717 ( 3.603 0.000 -1.835) 4.043 3.735 ( 0.751 0.000 1.348) 1.543 3.811 ( 4.517 0.000 -3.015) 5.431 3.843 ( 1.360 0.000 0.610) 1.491 3.958 ( -2.554 0.000 -0.212) 2.563 3.964 ( -3.538 0.000 1.803) 3.971 3.977 ( 1.289 0.000 1.581) 2.040 3.991 ( -1.093 0.000 1.126) 1.569 4.039 ( -4.908 0.000 -0.248) 4.915 4.086 ( -4.076 0.000 2.466) 4.764 4.194 ( -3.565 0.000 -2.000) 4.088 4.206 ( 1.512 0.000 1.394) 2.057 4.251 ( 1.240 0.000 1.234) 1.750 4.310 ( 1.109 0.000 3.180) 3.368 4.326 ( 0.833 0.000 -3.623) 3.718 4.381 ( 3.658 0.000 1.494) 3.951 4.402 ( 1.123 0.000 0.408) 1.194 4.519 ( 1.998 0.000 -8.818) 9.041 4.549 ( -0.352 0.000 3.698) 3.715 4.646 ( 1.821 0.000 -3.170) 3.656 4.658 ( 1.242 0.000 0.927) 1.550 4.798 ( 0.812 0.000 0.791) 1.134 4.830 ( 1.152 0.000 1.733) 2.081 4.855 ( 2.367 0.000 -1.062) 2.594 4.912 ( -1.465 0.000 1.942) 2.433 4.924 ( -4.175 0.000 -2.828) 5.042 5.005 ( 2.078 0.000 3.244) 3.852 5.007 ( -0.696 0.000 5.608) 5.651 5.039 ( -0.585 0.000 0.084) 0.591 5.120 ( 2.791 0.000 -7.077) 7.607 5.206 ( 0.928 0.000 2.218) 2.404 5.221 ( 1.501 0.000 3.090) 3.435 5.269 ( -0.760 0.000 -7.167) 7.207 5.334 ( 6.428 0.000 1.578) 6.619 5.374 ( 5.295 0.000 0.908) 5.372 5.392 ( 3.656 0.000 -4.195) 5.564 5.549 ( 1.414 0.000 -2.105) 2.536 5.599 ( 2.032 0.000 3.444) 3.999 5.713 ( 0.590 0.000 -2.540) 2.608 5.731 ( 0.220 0.000 2.972) 2.980 5.837 ( 1.354 0.000 0.676) 1.514 5.846 ( -1.586 0.000 3.566) 3.903 5.872 ( 1.786 0.000 -1.639) 2.424 5.903 ( -0.494 0.000 -1.068) 1.177 5.904 ( -1.953 0.000 2.013) 2.805 5.953 ( -2.390 0.000 0.250) 2.403 5.974 ( -1.441 0.000 -2.425) 2.821 6.065 ( -3.830 0.000 -2.076) 4.357 6.101 ( 0.176 0.000 -1.000) 1.015 6.155 ( 1.167 0.000 -0.504) 1.271 6.155 ( -0.748 0.000 2.156) 2.282 6.213 ( 0.139 0.000 -0.386) 0.410 6.253 ( -2.048 0.000 0.103) 2.050 6.299 ( 0.712 0.000 1.203) 1.398 6.507 ( -4.366 0.000 0.411) 4.385 6.516 ( -2.611 0.000 0.009) 2.611 8.648 ( -0.850 0.000 -0.607) 1.045 8.672 ( 0.391 0.000 0.749) 0.845 9.589 ( 2.469 0.000 -3.760) 4.498 9.643 ( 3.785 0.000 6.602) 7.610 10.349 ( -0.822 0.000 -1.219) 1.470 10.553 ( 4.647 0.000 1.341) 4.836 10.670 ( -4.144 0.000 -1.555) 4.426 10.755 ( -0.543 0.000 1.122) 1.247 10.908 ( -2.076 0.000 -2.961) 3.616 10.941 ( -0.465 0.000 2.713) 2.753 11.090 ( -4.335 0.000 -1.162) 4.488 11.133 ( -3.862 0.000 -1.725) 4.230 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -25.051 0.000 4.092) 25.383 0.520 ( -24.557 0.000 9.453) 26.313 0.802 ( -35.407 0.000 19.196) 40.275 1.367 ( -3.834 0.000 6.339) 7.409 1.457 ( 0.133 0.000 -13.695) 13.696 1.682 ( 6.217 0.000 -12.126) 13.627 1.744 ( -5.137 0.000 -12.523) 13.536 1.860 ( 3.834 0.000 -1.220) 4.023 1.926 ( -1.951 0.000 14.301) 14.433 1.960 ( 3.173 0.000 1.142) 3.372 2.067 ( 3.346 0.000 0.604) 3.400 2.172 ( -2.376 0.000 0.924) 2.549 2.223 ( 2.341 0.000 -3.419) 4.144 2.253 ( 7.411 0.000 3.030) 8.007 2.336 ( 2.964 0.000 2.652) 3.978 2.451 ( 2.392 0.000 -2.370) 3.368 2.529 ( 2.253 0.000 0.273) 2.269 2.540 ( -2.096 0.000 -1.902) 2.830 2.634 ( 4.317 0.000 -1.942) 4.734 2.671 ( -0.121 0.000 -1.135) 1.141 2.727 ( -5.439 0.000 6.114) 8.183 2.813 ( 2.222 0.000 0.567) 2.293 2.816 ( -1.230 0.000 3.534) 3.742 2.895 ( 4.269 0.000 -2.118) 4.765 3.000 ( 0.842 0.000 1.688) 1.887 3.013 ( -4.312 0.000 1.933) 4.726 3.037 ( 0.751 0.000 1.610) 1.776 3.075 ( -3.267 0.000 -2.975) 4.418 3.112 ( -1.111 0.000 0.743) 1.337 3.132 ( -3.190 0.000 -0.425) 3.219 3.204 ( 0.908 0.000 -1.584) 1.826 3.298 ( -4.544 0.000 -2.197) 5.047 3.372 ( -3.884 0.000 1.571) 4.189 3.429 ( -1.657 0.000 -0.013) 1.657 3.441 ( 1.733 0.000 -0.574) 1.826 3.510 ( 0.566 0.000 1.596) 1.694 3.540 ( 4.007 0.000 -2.596) 4.774 3.573 ( -3.145 0.000 3.602) 4.782 3.606 ( 0.111 0.000 -2.288) 2.290 3.683 ( 0.799 0.000 -2.374) 2.505 3.743 ( 2.568 0.000 -1.597) 3.024 3.783 ( 1.201 0.000 0.235) 1.224 3.865 ( 2.918 0.000 -0.580) 2.975 3.876 ( 1.113 0.000 2.464) 2.703 3.913 ( -2.045 0.000 -0.773) 2.186 3.919 ( -0.921 0.000 -0.100) 0.926 3.969 ( -3.873 0.000 2.525) 4.624 4.000 ( -0.654 0.000 0.179) 0.678 4.022 ( -3.330 0.000 1.066) 3.497 4.042 ( -0.456 0.000 1.943) 1.996 4.114 ( -2.070 0.000 0.404) 2.109 4.187 ( -1.989 0.000 -3.623) 4.134 4.273 ( 0.298 0.000 -1.645) 1.672 4.341 ( -1.574 0.000 -5.185) 5.419 4.348 ( 3.446 0.000 -1.637) 3.815 4.392 ( 0.357 0.000 -2.566) 2.590 4.430 ( 0.632 0.000 0.610) 0.878 4.526 ( 5.039 0.000 1.051) 5.148 4.606 ( -0.848 0.000 -6.959) 7.011 4.609 ( 3.099 0.000 2.223) 3.814 4.684 ( -0.433 0.000 1.363) 1.430 4.793 ( -1.627 0.000 -1.767) 2.403 4.829 ( -2.566 0.000 -0.358) 2.591 4.854 ( 1.595 0.000 0.954) 1.858 4.895 ( 1.652 0.000 3.954) 4.286 4.912 ( -0.564 0.000 1.795) 1.881 5.016 ( -1.378 0.000 -3.590) 3.846 5.050 ( -2.520 0.000 2.612) 3.629 5.060 ( 0.418 0.000 2.411) 2.447 5.118 ( 3.193 0.000 -4.142) 5.230 5.173 ( 0.419 0.000 -7.114) 7.126 5.197 ( 2.571 0.000 -4.973) 5.598 5.286 ( 0.970 0.000 5.782) 5.863 5.458 ( 6.493 0.000 -0.805) 6.543 5.477 ( 4.840 0.000 0.683) 4.888 5.493 ( 6.627 0.000 3.422) 7.458 5.566 ( 1.038 0.000 -0.857) 1.346 5.640 ( -0.713 0.000 0.973) 1.206 5.725 ( -4.579 0.000 2.581) 5.256 5.733 ( 2.644 0.000 0.133) 2.648 5.785 ( -4.392 0.000 -1.027) 4.511 5.829 ( -1.435 0.000 -0.118) 1.440 5.869 ( -3.116 0.000 0.510) 3.158 5.896 ( -0.836 0.000 -1.306) 1.551 5.937 ( -0.023 0.000 5.071) 5.071 5.951 ( -0.256 0.000 1.517) 1.539 5.970 ( 3.385 0.000 0.055) 3.385 5.992 ( 3.303 0.000 2.241) 3.991 6.102 ( -0.959 0.000 1.170) 1.513 6.165 ( 0.610 0.000 -1.998) 2.089 6.172 ( -1.091 0.000 1.849) 2.147 6.187 ( 0.565 0.000 -2.158) 2.230 6.229 ( -1.191 0.000 0.477) 1.283 6.324 ( 1.223 0.000 -0.923) 1.533 6.411 ( -6.354 0.000 -1.605) 6.554 6.470 ( -2.793 0.000 -0.088) 2.795 8.632 ( -0.380 0.000 -0.071) 0.386 8.684 ( 0.241 0.000 0.047) 0.245 9.612 ( 3.114 0.000 -0.952) 3.256 9.852 ( 10.407 0.000 14.311) 17.695 10.346 ( 1.713 0.000 -1.681) 2.400 10.576 ( -6.735 0.000 0.840) 6.788 10.631 ( 3.717 0.000 -1.174) 3.898 10.748 ( -1.244 0.000 0.275) 1.275 10.819 ( -4.046 0.000 -9.544) 10.366 10.937 ( -1.545 0.000 -0.029) 1.545 10.948 ( -7.874 0.000 -2.205) 8.177 11.045 ( -3.529 0.000 -1.889) 4.003 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -3.415 14.235 12.010) 18.935 0.660 ( 8.084 18.560 13.739) 24.467 1.044 ( -5.654 21.802 23.216) 32.346 1.155 ( -5.350 2.452 -11.686) 13.085 1.316 ( 0.070 3.697 -14.760) 15.216 1.640 ( 2.141 -2.778 1.913) 3.995 1.871 ( 2.487 -0.746 0.948) 2.765 1.884 ( 8.763 5.526 -6.420) 12.188 1.894 ( -4.153 -3.527 -3.491) 6.471 2.012 ( 1.069 -2.942 3.556) 4.737 2.139 ( -0.770 -2.189 6.617) 7.012 2.198 ( 2.004 2.938 1.190) 3.750 2.253 ( -4.328 -1.336 -3.971) 6.024 2.291 ( 3.966 -4.691 -0.354) 6.153 2.357 ( -0.749 5.298 -2.370) 5.852 2.448 ( 0.912 -4.082 -0.136) 4.185 2.468 ( -1.510 -1.056 0.202) 1.854 2.537 ( 0.977 -6.799 -0.535) 6.889 2.600 ( 2.338 -0.677 -2.765) 3.684 2.646 ( 2.423 -3.297 -2.438) 4.763 2.728 ( -2.925 -1.907 1.486) 3.795 2.743 ( -1.396 -3.427 4.203) 5.599 2.829 ( -6.679 -4.320 -6.726) 10.417 2.871 ( -1.994 -0.104 -1.464) 2.476 2.945 ( 5.080 0.046 -1.070) 5.191 2.968 ( -1.184 -0.802 4.515) 4.736 3.028 ( 0.213 -1.209 -0.323) 1.269 3.076 ( -1.577 -1.100 1.491) 2.433 3.109 ( -4.710 1.245 1.662) 5.147 3.155 ( 4.169 -1.787 -1.918) 4.925 3.181 ( 3.700 -2.777 -0.403) 4.644 3.248 ( -3.827 -2.064 1.643) 4.649 3.263 ( 1.291 0.106 1.981) 2.367 3.353 ( 1.114 -1.733 -2.760) 3.444 3.402 ( 0.941 -6.625 0.030) 6.692 3.488 ( -0.432 0.007 -2.078) 2.122 3.537 ( -0.543 -3.934 -2.518) 4.702 3.581 ( 1.195 -1.394 0.063) 1.837 3.645 ( 0.108 -0.349 -0.722) 0.809 3.672 ( -1.657 -0.175 -2.917) 3.360 3.767 ( 2.329 -0.657 0.074) 2.421 3.798 ( -2.354 -0.739 -0.586) 2.536 3.824 ( 0.948 -1.132 2.689) 3.068 3.873 ( 3.535 -0.663 1.643) 3.954 3.895 ( -0.192 -2.114 0.422) 2.165 3.915 ( -2.471 1.001 -0.531) 2.719 3.968 ( 1.525 1.218 0.606) 2.044 3.992 ( -2.761 2.771 0.664) 3.968 4.020 ( -0.751 1.276 0.204) 1.495 4.058 ( 0.670 3.897 2.264) 4.556 4.117 ( -0.830 1.035 -0.450) 1.401 4.152 ( 0.570 2.408 2.312) 3.387 4.231 ( 0.266 0.430 -2.315) 2.369 4.331 ( 0.873 -1.832 -0.967) 2.248 4.362 ( 0.724 0.778 -1.981) 2.248 4.425 ( 2.321 -0.167 -2.939) 3.749 4.478 ( 1.593 4.499 1.696) 5.065 4.522 ( -1.213 3.511 -1.535) 4.020 4.633 ( -5.501 -1.122 0.100) 5.615 4.654 ( 3.007 -2.038 1.065) 3.785 4.688 ( -0.144 1.217 3.264) 3.486 4.769 ( 0.051 -0.711 0.796) 1.068 4.797 ( -0.502 1.338 -1.490) 2.064 4.823 ( 1.244 -1.376 2.133) 2.827 4.876 ( -2.763 -1.398 0.239) 3.106 4.932 ( 0.705 -0.699 2.234) 2.445 4.976 ( -0.142 0.804 0.073) 0.819 5.017 ( 0.187 -3.258 -1.496) 3.590 5.064 ( -3.311 2.649 0.841) 4.323 5.139 ( 0.607 1.604 -1.720) 2.429 5.162 ( 0.604 -0.332 -2.340) 2.439 5.246 ( 3.274 3.839 -6.703) 8.390 5.398 ( -0.973 1.334 3.276) 3.668 5.499 ( 2.014 0.340 -2.252) 3.040 5.519 ( 1.630 -1.198 0.952) 2.236 5.568 ( -0.504 1.337 -0.371) 1.477 5.618 ( -3.838 1.386 1.532) 4.359 5.659 ( 4.185 1.000 -0.753) 4.368 5.687 ( -2.448 -0.403 -0.276) 2.496 5.713 ( 2.392 0.973 -2.210) 3.399 5.774 ( -3.953 -0.183 3.710) 5.425 5.808 ( 0.177 1.259 3.734) 3.944 5.872 ( -0.127 -0.324 0.923) 0.986 5.909 ( 0.164 -1.617 0.793) 1.809 5.925 ( 0.189 -1.184 1.200) 1.696 5.995 ( 2.003 -1.092 -1.931) 2.989 6.003 ( 1.385 -1.959 1.906) 3.064 6.064 ( -0.381 0.364 -1.857) 1.930 6.071 ( -2.629 -0.449 2.920) 3.955 6.120 ( 0.762 -1.520 2.081) 2.687 6.152 ( -3.708 -1.083 -0.538) 3.900 6.191 ( 1.186 -0.343 -1.138) 1.679 6.236 ( -0.596 1.444 1.833) 2.408 6.258 ( 3.086 0.866 3.857) 5.015 6.411 ( 0.654 3.657 -5.421) 6.572 6.458 ( -1.425 3.142 -3.459) 4.886 8.625 ( 0.429 -1.021 0.656) 1.287 8.660 ( -0.552 -1.565 -0.797) 1.841 9.719 ( 1.362 3.995 2.920) 5.132 9.850 ( -7.730 2.721 -3.175) 8.789 10.467 ( 2.546 0.848 4.567) 5.297 10.569 ( 1.170 -2.743 6.127) 6.814 10.647 ( 0.873 -0.255 -3.185) 3.313 10.678 ( 0.368 -1.804 0.617) 1.941 10.740 ( 2.793 2.682 -0.276) 3.883 10.894 ( -0.925 1.534 -1.721) 2.484 10.941 ( -0.465 2.267 0.448) 2.357 11.001 ( 0.644 0.560 -1.774) 1.968 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 8.210 4.121 11.980) 15.096 0.933 ( 7.440 8.215 0.481) 11.094 1.040 ( 5.496 12.786 7.590) 15.852 1.175 ( 9.872 2.749 -16.875) 19.743 1.383 ( 10.260 14.808 13.401) 22.453 1.659 ( -6.215 2.201 -5.598) 8.649 1.815 ( 6.587 -3.524 7.498) 10.584 1.899 ( 0.029 -0.977 -7.004) 7.072 1.975 ( 3.368 1.068 1.701) 3.921 2.024 ( 5.237 4.644 -10.679) 12.769 2.153 ( -2.687 0.001 -0.891) 2.831 2.217 ( -2.293 -4.216 0.956) 4.893 2.249 ( 4.631 -3.455 6.202) 8.476 2.278 ( -4.179 -0.033 0.908) 4.277 2.317 ( -1.162 -2.900 2.224) 3.835 2.401 ( -2.964 -3.154 -1.780) 4.680 2.468 ( -3.813 -4.450 -1.166) 5.975 2.524 ( 0.609 1.690 -4.160) 4.531 2.566 ( -3.249 -1.992 -5.205) 6.451 2.663 ( -1.982 -0.195 0.071) 1.993 2.690 ( 1.091 -1.565 -2.173) 2.892 2.734 ( 0.228 -1.673 3.829) 4.185 2.794 ( 1.380 -2.569 4.078) 5.013 2.860 ( 2.817 -1.293 4.666) 5.602 2.938 ( -3.888 -4.047 -1.191) 5.737 2.996 ( 1.897 -5.201 -0.889) 5.607 3.008 ( -3.599 0.068 1.174) 3.786 3.069 ( 1.465 -0.544 1.163) 1.948 3.118 ( 1.852 1.549 1.815) 3.020 3.149 ( -1.429 -1.384 -2.882) 3.502 3.190 ( 1.155 -1.819 -3.776) 4.347 3.260 ( -0.402 -2.671 6.491) 7.031 3.313 ( 1.914 1.237 -4.129) 4.717 3.376 ( 6.121 -0.932 0.202) 6.195 3.440 ( 1.244 -5.678 2.159) 6.200 3.486 ( 0.097 0.052 -1.028) 1.034 3.501 ( -0.129 -5.150 -2.155) 5.585 3.558 ( -1.524 -1.170 -2.042) 2.804 3.602 ( -1.860 -0.556 -3.675) 4.156 3.640 ( -0.859 -2.135 0.191) 2.309 3.740 ( -1.747 1.586 0.352) 2.385 3.817 ( 0.781 -1.588 0.070) 1.771 3.836 ( -0.887 -3.355 1.300) 3.705 3.880 ( -0.067 -0.033 -0.506) 0.512 3.911 ( 0.761 1.107 -0.571) 1.460 3.928 ( 0.410 0.500 0.719) 0.967 3.977 ( -0.290 1.605 -0.199) 1.643 4.003 ( 0.619 0.395 1.181) 1.391 4.048 ( 2.547 0.558 2.133) 3.369 4.109 ( 1.522 4.760 0.196) 5.001 4.125 ( 2.296 1.195 1.685) 3.089 4.183 ( 1.650 2.298 -0.085) 2.831 4.214 ( -0.433 -0.769 0.990) 1.326 4.306 ( -1.735 2.615 -3.169) 4.460 4.348 ( -0.956 -2.163 0.399) 2.398 4.402 ( -0.096 -1.618 -3.236) 3.619 4.449 ( -1.894 3.586 -2.248) 4.637 4.527 ( -0.254 0.522 -2.591) 2.655 4.566 ( -1.723 2.450 2.045) 3.626 4.686 ( -2.128 2.447 0.286) 3.255 4.718 ( 1.427 -2.309 2.092) 3.426 4.776 ( 1.081 1.206 0.088) 1.622 4.806 ( 0.312 -0.005 3.505) 3.519 4.826 ( -1.496 1.355 0.160) 2.025 4.890 ( 2.287 -5.587 1.457) 6.210 4.902 ( -1.082 1.448 -4.720) 5.054 4.991 ( -5.216 0.808 3.289) 6.220 5.015 ( 0.094 0.225 2.585) 2.597 5.029 ( 0.848 -0.265 -0.300) 0.938 5.117 ( -0.714 0.414 -1.660) 1.854 5.140 ( 0.834 0.036 -3.440) 3.540 5.224 ( 0.511 3.011 -3.722) 4.815 5.370 ( -4.922 -0.729 1.288) 5.140 5.455 ( -5.803 1.665 -0.710) 6.078 5.510 ( -3.640 1.247 1.388) 4.090 5.526 ( 0.345 -0.080 -3.052) 3.072 5.591 ( -1.823 2.015 -0.208) 2.726 5.613 ( -1.845 -1.215 2.040) 3.007 5.708 ( 1.529 -1.928 -0.222) 2.471 5.758 ( -1.478 -1.322 0.440) 2.031 5.795 ( 3.165 2.048 -0.179) 3.774 5.824 ( -4.444 -1.582 2.258) 5.230 5.860 ( 1.491 -0.376 1.464) 2.123 5.930 ( 1.986 -0.475 0.711) 2.162 5.977 ( -1.124 1.670 1.498) 2.510 5.998 ( 0.216 -1.043 0.081) 1.068 6.012 ( 0.980 -0.447 0.604) 1.235 6.034 ( -2.020 0.933 0.820) 2.371 6.052 ( 0.420 -1.504 0.513) 1.643 6.126 ( 2.095 -1.643 -1.174) 2.910 6.167 ( -1.210 0.426 -1.533) 1.999 6.182 ( 2.593 1.246 -0.336) 2.897 6.275 ( 1.311 2.954 3.285) 4.608 6.296 ( -2.216 1.069 -1.867) 3.089 6.427 ( 4.783 0.402 -1.483) 5.023 6.442 ( 4.223 1.935 -0.404) 4.662 8.633 ( -0.411 -1.561 -0.343) 1.650 8.650 ( 0.558 -0.986 0.384) 1.196 9.669 ( -6.549 3.775 0.205) 7.562 9.794 ( -1.653 2.871 3.529) 4.840 10.491 ( -2.702 2.383 3.421) 4.968 10.547 ( -3.922 1.592 -3.375) 5.414 10.659 ( 3.484 -2.255 3.136) 5.202 10.708 ( 1.819 0.452 -1.571) 2.446 10.807 ( 1.486 -0.243 -4.170) 4.434 10.926 ( 6.596 -0.864 -0.562) 6.676 10.960 ( 2.175 1.189 1.410) 2.852 11.037 ( 4.608 -0.171 -1.506) 4.850 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 14.565 3.687 2.884) 15.299 1.158 ( 13.521 4.348 1.094) 14.245 1.227 ( 14.634 2.608 -10.490) 18.194 1.295 ( 4.543 10.343 15.596) 19.258 1.541 ( -1.142 1.558 2.811) 3.411 1.697 ( 9.995 5.424 1.835) 11.519 1.755 ( -7.771 1.202 -4.749) 9.186 1.914 ( -1.191 -2.844 -0.846) 3.197 1.992 ( -5.566 0.580 2.696) 6.212 2.018 ( 7.275 4.723 -14.271) 16.700 2.138 ( -0.061 0.260 0.850) 0.891 2.179 ( 2.299 -1.197 -3.949) 4.724 2.224 ( -4.947 0.189 2.442) 5.520 2.277 ( -3.590 -2.807 -0.021) 4.558 2.329 ( 1.673 1.394 -3.554) 4.168 2.360 ( 2.902 -4.623 -3.222) 6.339 2.444 ( 1.759 -3.055 2.392) 4.260 2.496 ( 0.622 -0.283 -1.877) 1.998 2.524 ( -0.121 1.522 1.427) 2.089 2.655 ( -3.285 4.410 5.131) 7.521 2.682 ( -0.494 -2.026 -1.345) 2.482 2.732 ( 0.989 -3.310 3.396) 4.844 2.807 ( -2.209 -3.264 0.457) 3.967 2.908 ( 0.800 -5.191 -0.938) 5.335 2.964 ( 0.356 -3.563 0.182) 3.585 3.006 ( -5.088 -1.568 -3.108) 6.165 3.016 ( 3.418 0.338 1.309) 3.676 3.054 ( 2.313 -6.070 3.457) 7.359 3.104 ( -0.101 -0.664 -0.875) 1.103 3.166 ( 1.277 1.662 2.336) 3.139 3.243 ( 6.053 -3.539 -0.591) 7.037 3.294 ( -1.098 -3.849 0.901) 4.103 3.354 ( 3.398 0.079 0.348) 3.417 3.408 ( -3.082 -3.291 -2.207) 5.020 3.455 ( 0.264 -3.831 -1.900) 4.284 3.481 ( 5.688 -2.364 -2.460) 6.632 3.502 ( -0.628 -2.365 0.639) 2.529 3.521 ( 0.532 -2.254 0.782) 2.444 3.566 ( -0.921 1.850 1.879) 2.793 3.640 ( 0.309 -0.558 1.382) 1.522 3.754 ( 0.293 1.293 1.478) 1.986 3.793 ( -2.588 -3.912 0.829) 4.764 3.806 ( -2.770 3.772 -2.421) 5.269 3.857 ( -2.085 -3.082 0.055) 3.722 3.901 ( 0.423 2.359 -0.236) 2.409 3.958 ( -0.146 -1.367 -0.621) 1.509 3.987 ( 1.924 -1.552 1.617) 2.954 4.022 ( 0.352 1.638 1.540) 2.276 4.102 ( 1.932 0.867 -0.261) 2.134 4.144 ( 0.123 1.910 2.411) 3.079 4.173 ( -1.487 1.272 0.264) 1.974 4.186 ( 1.428 3.230 1.850) 3.986 4.215 ( -2.869 3.595 -1.126) 4.736 4.276 ( 3.324 2.923 0.204) 4.431 4.315 ( -1.185 -2.902 -1.496) 3.473 4.397 ( -0.942 0.045 2.864) 3.015 4.420 ( 3.604 1.087 -5.158) 6.385 4.488 ( -0.832 -0.504 -4.385) 4.491 4.553 ( -0.725 -0.567 1.025) 1.377 4.647 ( -2.550 3.308 1.846) 4.567 4.744 ( -2.951 1.473 -0.954) 3.434 4.765 ( -1.587 1.853 1.958) 3.128 4.784 ( -3.372 -2.192 -2.527) 4.750 4.822 ( -0.254 2.057 0.561) 2.147 4.884 ( 0.228 1.336 2.252) 2.628 4.912 ( -0.908 -1.562 6.167) 6.426 4.952 ( -0.889 -1.305 -0.491) 1.654 5.024 ( 2.031 0.966 -2.503) 3.365 5.062 ( 0.163 -1.592 -0.206) 1.614 5.078 ( -0.927 -0.879 -1.951) 2.332 5.129 ( 0.876 -0.284 -0.062) 0.922 5.188 ( -1.222 2.336 -1.805) 3.195 5.277 ( -5.794 -0.840 1.192) 5.974 5.372 ( -3.378 2.636 -0.583) 4.324 5.441 ( -2.875 -0.004 0.197) 2.882 5.520 ( -0.056 0.260 -1.842) 1.862 5.543 ( -1.937 2.120 -0.541) 2.922 5.627 ( 0.288 -1.504 -0.072) 1.533 5.687 ( -2.757 -3.333 -0.139) 4.327 5.729 ( -1.256 -3.024 0.882) 3.391 5.785 ( -1.932 -0.774 1.816) 2.762 5.845 ( 2.401 1.346 0.841) 2.878 5.887 ( -0.407 0.038 1.912) 1.955 5.922 ( -2.796 2.551 -1.139) 3.952 5.958 ( 0.110 1.181 -2.768) 3.011 5.991 ( 0.625 0.588 -1.664) 1.872 6.022 ( -1.317 1.027 2.417) 2.938 6.044 ( -1.709 -1.234 1.547) 2.615 6.094 ( 3.440 0.369 -0.780) 3.546 6.110 ( 0.585 0.961 -2.298) 2.559 6.181 ( 1.788 -0.569 0.775) 2.030 6.201 ( 1.195 0.483 0.096) 1.293 6.256 ( 0.592 0.687 -1.387) 1.657 6.336 ( 1.958 2.507 1.363) 3.461 6.507 ( 4.660 -0.949 -0.094) 4.757 6.519 ( 3.033 1.046 0.531) 3.252 8.626 ( 0.234 -1.674 -0.363) 1.729 8.665 ( 0.219 -1.293 0.485) 1.398 9.569 ( -4.556 3.627 -0.285) 5.831 9.758 ( -5.741 0.260 2.153) 6.136 10.437 ( -0.306 2.990 -3.844) 4.879 10.518 ( -2.292 5.074 4.046) 6.883 10.714 ( 0.973 -2.036 -0.349) 2.284 10.752 ( 2.879 -2.416 -0.337) 3.774 10.796 ( 2.491 1.196 -1.318) 3.061 10.997 ( 2.928 1.474 -0.385) 3.300 11.040 ( 3.312 -1.792 1.545) 4.070 11.112 ( 5.459 -0.992 -1.707) 5.805 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.637 2.637 -0.979) 8.138 1.333 ( 5.535 -0.242 -7.399) 9.243 1.391 ( 8.295 3.781 3.302) 9.696 1.480 ( 0.182 3.964 5.090) 6.454 1.563 ( -1.314 2.873 -0.139) 3.162 1.595 ( -1.139 2.642 4.379) 5.239 1.784 ( -0.876 -2.290 -3.029) 3.897 1.858 ( -3.393 -0.015 2.032) 3.955 1.948 ( -1.417 1.588 4.479) 4.959 1.979 ( 3.923 2.212 -4.444) 6.327 2.095 ( -5.316 1.807 -3.195) 6.460 2.132 ( -1.553 4.045 -1.032) 4.454 2.235 ( 0.022 -3.340 -1.005) 3.487 2.278 ( 5.952 0.292 -5.754) 8.283 2.311 ( 3.898 4.378 -5.177) 7.821 2.371 ( 0.360 0.259 -5.150) 5.169 2.472 ( 4.995 0.459 -0.835) 5.085 2.518 ( -0.649 -0.063 -0.546) 0.850 2.539 ( 1.550 -0.811 2.547) 3.090 2.637 ( -4.749 1.683 4.319) 6.636 2.694 ( -0.388 -5.364 4.181) 6.812 2.792 ( -0.432 -0.899 2.216) 2.430 2.811 ( 0.352 -3.876 0.370) 3.909 2.891 ( 0.453 -5.299 -0.601) 5.352 2.927 ( -1.691 -5.682 -1.060) 6.022 2.941 ( 0.746 -3.490 -0.777) 3.652 3.074 ( 0.095 -1.275 1.004) 1.626 3.086 ( -0.192 -5.422 0.883) 5.497 3.113 ( 1.741 0.023 -2.421) 2.982 3.191 ( 0.254 1.077 1.019) 1.504 3.267 ( -2.236 -2.323 1.720) 3.654 3.323 ( 2.882 -4.822 -3.160) 6.445 3.379 ( -1.028 -2.426 -0.453) 2.673 3.400 ( 4.105 -2.482 0.220) 4.802 3.430 ( -2.029 -2.659 -0.010) 3.345 3.500 ( -0.301 -2.709 -0.422) 2.758 3.512 ( 0.352 -0.775 -2.169) 2.329 3.553 ( 3.311 -2.631 -2.951) 5.157 3.585 ( -1.447 0.963 2.295) 2.879 3.650 ( -0.232 1.523 -0.506) 1.622 3.722 ( -2.733 1.155 -0.215) 2.974 3.750 ( -2.273 1.769 0.370) 2.904 3.801 ( -1.129 -1.735 4.312) 4.783 3.842 ( 1.609 1.159 0.612) 2.075 3.901 ( 0.862 2.898 -0.375) 3.047 3.949 ( -1.199 -2.409 2.354) 3.575 4.009 ( -1.027 0.646 0.461) 1.297 4.047 ( -3.354 2.773 1.599) 4.636 4.079 ( 3.037 -1.911 0.929) 3.706 4.146 ( -0.937 1.600 0.216) 1.867 4.176 ( -1.342 -0.582 0.868) 1.701 4.208 ( 0.825 0.960 -0.989) 1.607 4.231 ( 2.375 -0.390 1.886) 3.058 4.289 ( -1.308 2.530 0.892) 2.985 4.323 ( 0.587 4.929 -0.976) 5.059 4.388 ( -0.990 -0.476 0.165) 1.111 4.411 ( 1.308 -1.695 -5.037) 5.473 4.477 ( 4.308 0.148 0.956) 4.415 4.582 ( 1.576 0.216 1.574) 2.238 4.605 ( -2.962 2.072 -2.508) 4.399 4.689 ( -2.488 -0.724 -1.859) 3.189 4.727 ( -1.132 2.226 2.439) 3.491 4.733 ( -2.200 1.449 4.949) 5.607 4.840 ( -0.812 -1.898 -1.828) 2.758 4.905 ( -1.356 -0.517 -2.211) 2.645 4.913 ( -1.126 2.038 4.409) 4.987 4.989 ( 2.397 0.303 4.020) 4.691 5.036 ( 0.504 -0.386 0.773) 1.000 5.073 ( 1.213 -2.419 -0.491) 2.750 5.086 ( 2.980 0.365 0.979) 3.158 5.131 ( -0.473 -0.249 -0.724) 0.900 5.148 ( -0.835 1.284 -0.668) 1.671 5.199 ( -4.077 -0.940 0.679) 4.238 5.316 ( -1.551 3.288 -1.335) 3.873 5.419 ( -0.689 1.753 -0.318) 1.910 5.462 ( -1.213 -0.805 -5.330) 5.525 5.518 ( -0.513 0.583 -0.029) 0.777 5.626 ( 0.995 -3.076 -0.117) 3.235 5.651 ( -1.099 1.061 -1.512) 2.149 5.719 ( -1.792 -4.018 0.468) 4.424 5.782 ( -0.960 -1.348 2.306) 2.839 5.860 ( -1.161 1.280 -1.712) 2.433 5.871 ( 0.126 -0.101 -1.040) 1.053 5.905 ( -1.478 2.556 -0.850) 3.072 5.944 ( 2.801 0.079 3.059) 4.149 5.983 ( 0.508 1.190 -1.201) 1.766 6.026 ( -0.470 0.811 0.773) 1.215 6.047 ( -0.572 -1.202 0.946) 1.633 6.076 ( -0.262 0.212 0.294) 0.447 6.146 ( 1.702 0.931 -1.045) 2.203 6.200 ( -0.354 0.217 0.959) 1.046 6.242 ( -0.405 1.897 -1.536) 2.474 6.260 ( 2.541 0.083 1.668) 3.041 6.364 ( 0.590 2.599 -0.812) 2.786 6.549 ( 0.983 -0.039 -0.308) 1.030 6.566 ( 1.460 -0.569 -0.372) 1.610 8.632 ( 0.511 -1.771 0.146) 1.849 8.665 ( -0.291 -1.663 -0.280) 1.711 9.520 ( -1.214 3.510 1.382) 3.963 9.672 ( -3.694 0.452 -1.127) 3.888 10.433 ( 2.296 3.684 -0.626) 4.386 10.503 ( -2.878 5.462 1.311) 6.312 10.715 ( 0.714 -1.830 -0.928) 2.172 10.774 ( 0.778 -2.627 -1.651) 3.199 10.848 ( 1.469 0.107 2.766) 3.134 11.017 ( 0.756 0.616 -2.203) 2.409 11.098 ( 0.888 -1.413 2.343) 2.876 11.175 ( 3.057 -1.752 -1.318) 3.762 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -14.566 7.335 -2.482) 16.496 1.245 ( -9.015 3.184 -0.077) 9.561 1.403 ( -3.526 -0.854 -0.804) 3.716 1.515 ( -6.398 3.536 4.782) 8.735 1.629 ( 7.461 0.363 -4.411) 8.675 1.679 ( 6.287 3.355 5.204) 8.824 1.789 ( -2.399 -0.825 4.513) 5.177 1.823 ( 3.261 -1.305 -1.649) 3.880 1.979 ( 0.983 0.566 -1.888) 2.203 1.998 ( -2.416 2.998 0.821) 3.937 2.045 ( -3.241 2.688 -3.718) 5.617 2.119 ( 8.843 3.452 -0.458) 9.503 2.211 ( -2.782 -0.704 -5.142) 5.889 2.237 ( -0.234 -3.719 -1.995) 4.227 2.317 ( 1.843 2.764 -3.706) 4.977 2.352 ( 0.080 1.215 -4.514) 4.675 2.425 ( -4.870 4.613 -0.067) 6.708 2.539 ( 1.540 1.149 -3.104) 3.650 2.596 ( -0.842 -0.591 4.889) 4.996 2.615 ( -1.100 -1.024 4.097) 4.364 2.720 ( -0.985 -2.792 2.456) 3.847 2.749 ( -1.511 -5.540 -1.768) 6.009 2.827 ( 0.343 -5.620 1.624) 5.860 2.876 ( 0.103 -5.444 -4.658) 7.165 2.950 ( 0.680 -5.901 3.428) 6.858 3.007 ( 0.007 -4.402 -0.698) 4.457 3.038 ( 0.571 -2.375 1.315) 2.774 3.100 ( 1.028 -1.882 0.416) 2.185 3.103 ( -1.319 -2.795 0.566) 3.142 3.209 ( 1.644 1.237 -1.470) 2.528 3.267 ( -3.074 -0.034 -1.380) 3.369 3.285 ( -0.793 -0.754 2.438) 2.672 3.328 ( -1.409 -4.594 0.262) 4.812 3.390 ( 0.086 0.894 -3.830) 3.934 3.469 ( -0.535 -3.191 -0.195) 3.242 3.486 ( 2.008 -4.706 -0.071) 5.117 3.502 ( 1.628 -1.274 -0.994) 2.293 3.577 ( 3.178 -0.103 -1.861) 3.684 3.582 ( -0.615 -0.024 2.077) 2.166 3.641 ( 0.707 -0.609 -1.215) 1.532 3.700 ( -1.365 1.289 0.480) 1.938 3.730 ( -0.150 0.478 2.416) 2.468 3.809 ( -0.119 4.364 0.573) 4.403 3.871 ( 2.336 2.864 -1.338) 3.930 3.936 ( -1.798 -1.744 1.919) 3.155 3.971 ( -1.919 1.262 2.241) 3.209 3.987 ( -0.871 -1.835 3.140) 3.740 4.033 ( -0.188 0.285 0.511) 0.614 4.115 ( -3.460 0.832 -0.333) 3.574 4.127 ( -1.689 0.781 0.471) 1.919 4.153 ( 1.568 1.561 1.682) 2.779 4.218 ( -0.021 -2.752 -1.517) 3.142 4.230 ( 0.197 1.842 -1.075) 2.142 4.293 ( 2.175 -0.303 2.004) 2.973 4.331 ( -0.161 2.777 0.469) 2.821 4.369 ( -1.933 -0.408 -0.455) 2.027 4.453 ( 3.142 2.545 0.066) 4.044 4.502 ( -0.808 0.147 -3.944) 4.029 4.570 ( 2.114 0.962 0.390) 2.355 4.629 ( 1.196 -1.809 -0.422) 2.209 4.654 ( -0.107 1.495 0.021) 1.499 4.727 ( 3.636 1.558 1.248) 4.148 4.787 ( -1.183 -2.018 -1.112) 2.590 4.824 ( 1.968 -1.814 3.722) 4.585 4.872 ( -1.738 -0.941 1.541) 2.506 4.924 ( -2.079 1.447 3.969) 4.708 5.017 ( -2.038 0.642 0.859) 2.302 5.026 ( -1.607 0.981 -2.543) 3.164 5.070 ( -1.853 -0.385 0.083) 1.894 5.131 ( 2.386 -0.347 -2.157) 3.235 5.156 ( 0.601 -0.664 2.991) 3.122 5.171 ( 1.678 -1.457 1.010) 2.441 5.203 ( 4.341 1.293 4.456) 6.353 5.307 ( 2.017 3.028 -0.831) 3.732 5.382 ( 0.299 1.659 -3.617) 3.991 5.412 ( 3.027 0.326 -7.429) 8.029 5.539 ( 1.261 0.313 2.171) 2.530 5.603 ( -0.263 2.577 -2.899) 3.888 5.659 ( -0.437 -3.644 0.240) 3.678 5.700 ( 2.245 -2.411 -0.101) 3.296 5.781 ( -1.741 -1.261 1.982) 2.924 5.836 ( 0.384 0.631 -0.733) 1.040 5.864 ( -1.096 0.370 0.922) 1.479 5.911 ( 0.950 0.807 0.470) 1.332 5.954 ( -1.351 -0.748 -1.475) 2.135 5.988 ( -0.186 -0.489 -0.971) 1.103 6.026 ( -0.639 1.284 0.017) 1.435 6.058 ( 0.365 -1.384 0.952) 1.719 6.109 ( 1.734 1.279 2.704) 3.457 6.156 ( -0.510 0.525 0.679) 0.998 6.191 ( -1.997 0.660 -2.080) 2.959 6.204 ( 0.867 1.207 0.110) 1.490 6.311 ( 0.351 2.095 1.624) 2.674 6.330 ( -2.550 2.817 -1.929) 4.261 6.547 ( -1.158 -0.464 -0.160) 1.258 6.557 ( -1.331 -0.404 -0.505) 1.480 8.641 ( -0.114 -1.813 0.447) 1.871 8.653 ( -0.194 -1.597 -0.584) 1.711 9.556 ( 2.020 2.657 2.943) 4.449 9.626 ( 1.293 1.931 -2.716) 3.575 10.447 ( -3.127 4.926 -0.959) 5.912 10.494 ( 3.455 3.467 1.694) 5.180 10.721 ( -0.544 -2.074 -0.229) 2.156 10.743 ( -0.853 -1.120 -1.891) 2.357 10.898 ( 0.133 -0.150 3.636) 3.642 10.983 ( -0.960 0.299 -3.125) 3.283 11.111 ( -2.378 -2.104 1.912) 3.706 11.180 ( -0.890 -1.796 -1.309) 2.394 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -15.374 10.202 3.904) 18.860 0.948 ( -20.392 6.060 0.037) 21.273 1.325 ( -6.922 1.861 5.278) 8.901 1.535 ( -15.012 5.373 0.325) 15.948 1.605 ( 3.995 -1.306 5.457) 6.888 1.663 ( -8.039 7.218 -8.241) 13.588 1.794 ( -0.695 2.226 -3.057) 3.845 1.884 ( 0.945 3.108 6.437) 7.211 1.919 ( -0.956 -1.044 -6.012) 6.177 1.975 ( 2.976 3.277 -5.088) 6.744 2.008 ( 4.105 0.533 3.297) 5.292 2.112 ( -0.092 2.366 -6.373) 6.799 2.213 ( 1.835 -4.740 0.093) 5.083 2.224 ( 1.510 -0.136 -1.507) 2.137 2.291 ( -1.582 0.182 0.971) 1.865 2.374 ( 6.823 0.923 0.348) 6.894 2.431 ( 5.142 0.442 -2.853) 5.897 2.547 ( 0.460 -1.500 1.094) 1.913 2.565 ( -2.355 -4.262 -1.005) 4.972 2.668 ( 0.119 -1.698 1.395) 2.201 2.741 ( -0.086 -4.077 -0.561) 4.116 2.769 ( 1.596 -0.329 4.383) 4.677 2.801 ( -2.246 -5.539 0.042) 5.977 2.859 ( -0.560 -3.304 3.316) 4.714 2.914 ( -3.844 -1.094 -3.693) 5.442 2.964 ( -2.067 -5.286 2.027) 6.027 3.023 ( 0.231 -2.650 -1.867) 3.250 3.097 ( -0.070 -7.925 -1.035) 7.993 3.157 ( 1.007 -0.039 1.072) 1.471 3.186 ( -3.410 -0.140 1.796) 3.856 3.243 ( 3.990 -0.514 -2.895) 4.956 3.265 ( -5.330 2.355 -0.149) 5.829 3.344 ( 0.843 -5.857 1.672) 6.149 3.390 ( 1.702 -1.887 1.460) 2.931 3.440 ( -1.775 -2.694 0.722) 3.306 3.473 ( -2.121 -0.942 -2.969) 3.768 3.557 ( 1.964 -0.175 0.593) 2.059 3.594 ( -0.541 -0.764 -0.667) 1.150 3.616 ( 1.045 2.648 2.176) 3.583 3.684 ( 2.672 -2.023 1.314) 3.600 3.690 ( 3.023 2.042 -1.902) 4.114 3.782 ( 1.736 0.614 4.021) 4.422 3.818 ( 0.798 3.410 -1.601) 3.850 3.884 ( -0.713 1.176 -0.981) 1.689 3.900 ( -1.711 -3.361 -0.210) 3.778 3.941 ( -1.134 -0.462 -0.777) 1.450 4.010 ( -0.318 0.670 3.771) 3.843 4.017 ( -2.216 0.416 -1.998) 3.013 4.033 ( -1.594 0.719 0.113) 1.752 4.091 ( -3.756 1.046 1.619) 4.222 4.186 ( -3.110 0.723 -1.163) 3.398 4.209 ( 1.294 -0.887 1.599) 2.240 4.265 ( -3.814 -2.886 1.079) 4.903 4.290 ( 2.741 -0.450 -0.275) 2.791 4.347 ( 3.011 4.083 1.149) 5.202 4.359 ( 2.497 3.236 -0.726) 4.151 4.476 ( 0.640 -1.343 -4.559) 4.796 4.494 ( 2.951 3.160 0.024) 4.324 4.585 ( 1.064 1.070 -0.680) 1.655 4.635 ( -0.136 -1.843 -2.183) 2.861 4.675 ( 3.267 1.505 -0.100) 3.598 4.784 ( -0.981 -2.944 2.258) 3.837 4.800 ( -1.417 -0.422 0.726) 1.647 4.822 ( 1.497 -2.853 0.233) 3.231 4.905 ( -1.709 1.551 0.839) 2.455 4.934 ( -2.791 -0.600 -1.108) 3.062 4.943 ( -0.092 -2.880 1.395) 3.202 5.021 ( 0.787 2.023 3.740) 4.324 5.060 ( 0.219 1.482 2.062) 2.548 5.128 ( 2.100 0.481 -4.317) 4.825 5.201 ( 0.002 -2.754 -1.472) 3.122 5.221 ( 3.153 -0.325 2.189) 3.852 5.291 ( 1.197 2.624 -0.916) 3.026 5.365 ( 6.032 2.261 -0.940) 6.510 5.385 ( 4.906 2.718 -1.394) 5.779 5.438 ( 4.707 2.514 -1.527) 5.550 5.567 ( 1.239 1.907 -2.058) 3.067 5.583 ( -0.539 -2.265 1.333) 2.682 5.684 ( 3.976 -1.172 1.094) 4.287 5.755 ( 0.752 -0.449 1.082) 1.392 5.778 ( -1.705 -1.263 2.540) 3.310 5.830 ( -0.586 -2.053 -1.199) 2.448 5.859 ( 1.324 -0.287 1.476) 2.003 5.916 ( -1.212 -0.658 -1.880) 2.332 5.942 ( 1.805 1.973 0.711) 2.766 5.956 ( -1.646 0.270 -0.908) 1.899 5.987 ( -2.887 1.599 -0.263) 3.311 6.051 ( -2.646 -0.722 -0.793) 2.855 6.111 ( -1.511 0.497 -0.087) 1.594 6.151 ( 0.979 -0.176 -1.210) 1.566 6.184 ( -0.365 1.501 2.709) 3.118 6.222 ( 0.176 0.606 -1.494) 1.621 6.248 ( -3.633 0.924 -1.052) 3.894 6.320 ( -0.482 1.875 1.236) 2.297 6.511 ( -3.046 0.527 0.199) 3.098 6.521 ( -1.952 0.318 0.352) 2.009 8.630 ( -0.622 -1.658 -0.511) 1.843 8.659 ( 0.381 -1.414 0.639) 1.598 9.603 ( 2.486 2.223 -0.884) 3.450 9.693 ( 5.489 3.739 2.820) 7.215 10.389 ( -1.454 4.014 -1.497) 4.524 10.580 ( 3.544 2.088 1.800) 4.490 10.660 ( -3.731 -0.676 -0.869) 3.890 10.740 ( -0.089 -0.609 0.050) 0.617 10.895 ( -2.607 -1.420 -1.743) 3.443 10.954 ( -0.207 0.686 0.612) 0.943 11.047 ( -6.103 -2.463 0.223) 6.585 11.127 ( -3.295 -0.955 -1.056) 3.590 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -14.914 15.127 4.894) 21.799 0.651 ( -16.847 14.480 4.777) 22.723 1.107 ( -25.957 22.662 13.153) 36.883 1.301 ( -1.758 -3.005 -2.873) 4.514 1.501 ( -5.461 2.900 -5.942) 8.576 1.718 ( -1.797 -0.900 -8.619) 8.851 1.757 ( 5.106 0.643 -3.148) 6.033 1.802 ( 1.064 2.327 1.036) 2.760 1.961 ( 0.143 -0.421 -1.190) 1.270 1.983 ( -0.801 1.528 6.633) 6.854 2.111 ( 3.416 3.166 0.711) 4.712 2.130 ( 0.116 -4.115 2.528) 4.831 2.186 ( 3.804 -2.791 -2.969) 5.574 2.298 ( 4.580 -0.333 -0.640) 4.637 2.347 ( 6.539 0.742 1.200) 6.690 2.431 ( -3.225 -2.652 -2.520) 4.877 2.502 ( 3.929 -1.915 -1.148) 4.519 2.524 ( 4.424 -2.785 -4.816) 7.108 2.583 ( 1.169 -0.430 -0.012) 1.245 2.650 ( -1.503 -2.590 0.323) 3.012 2.696 ( -5.830 -3.450 5.810) 8.924 2.771 ( -0.279 -0.416 -0.270) 0.569 2.825 ( 2.468 -3.197 2.884) 4.963 2.897 ( 2.851 1.512 -0.143) 3.230 2.929 ( 1.088 -2.883 2.235) 3.806 2.952 ( -1.090 -5.440 0.489) 5.569 3.029 ( 1.448 -2.816 -0.564) 3.216 3.063 ( -1.703 -3.221 -0.567) 3.687 3.129 ( -1.800 1.380 -1.088) 2.516 3.170 ( 0.033 -1.379 -0.992) 1.699 3.178 ( -3.353 1.381 -0.444) 3.653 3.272 ( -1.413 -2.508 1.612) 3.299 3.343 ( -7.297 0.113 -2.249) 7.636 3.364 ( 0.223 -6.143 0.507) 6.168 3.385 ( 0.725 -3.972 -1.955) 4.486 3.507 ( 3.741 0.152 1.234) 3.942 3.550 ( -1.414 -2.416 -1.999) 3.440 3.571 ( -0.343 -1.045 -0.831) 1.379 3.636 ( -0.435 2.486 2.376) 3.466 3.704 ( 1.054 0.643 -3.520) 3.730 3.737 ( 1.685 0.350 0.378) 1.762 3.801 ( 0.119 0.476 0.348) 0.601 3.825 ( 0.209 -2.559 -3.101) 4.026 3.859 ( -1.510 -0.508 2.287) 2.787 3.883 ( -0.236 -2.759 1.196) 3.017 3.933 ( 0.172 -1.024 -0.742) 1.277 3.973 ( -1.893 1.325 0.179) 2.317 4.013 ( -1.095 1.105 0.648) 1.686 4.042 ( -2.479 2.384 0.644) 3.499 4.065 ( 0.590 2.238 2.989) 3.780 4.123 ( -1.979 0.735 0.478) 2.164 4.197 ( -4.212 0.766 -0.653) 4.331 4.248 ( -0.770 -1.666 0.397) 1.878 4.319 ( 1.131 -2.365 -1.210) 2.887 4.378 ( 2.461 4.650 -4.875) 7.172 4.393 ( 0.727 1.505 -3.664) 4.027 4.437 ( 2.327 1.501 1.561) 3.178 4.552 ( 2.574 0.534 -2.777) 3.824 4.592 ( 1.280 -0.157 -0.213) 1.307 4.634 ( 0.842 1.258 3.217) 3.556 4.725 ( -1.288 2.886 0.717) 3.241 4.764 ( -1.909 -4.832 0.348) 5.207 4.785 ( -0.585 -1.723 1.737) 2.515 4.839 ( -1.816 1.145 0.266) 2.163 4.861 ( 1.759 -1.701 2.030) 3.180 4.913 ( -1.527 0.045 0.569) 1.630 4.955 ( -0.110 -2.312 2.086) 3.116 5.074 ( -0.549 0.510 -1.771) 1.923 5.099 ( 2.687 -0.675 2.578) 3.785 5.125 ( -2.566 0.616 -4.226) 4.982 5.152 ( 2.698 2.101 -1.018) 3.568 5.260 ( 3.820 3.485 -7.646) 9.230 5.335 ( 3.128 1.879 3.046) 4.753 5.444 ( 4.832 -0.220 -1.163) 4.974 5.492 ( 4.087 -0.559 0.846) 4.211 5.512 ( 4.319 2.311 0.707) 4.949 5.577 ( 3.137 1.313 -0.501) 3.437 5.616 ( 1.814 -1.093 1.215) 2.442 5.711 ( -5.310 -0.892 2.746) 6.044 5.770 ( -0.315 0.763 -0.361) 0.900 5.780 ( 1.327 1.264 -0.577) 1.921 5.831 ( 1.347 -0.035 -0.689) 1.513 5.867 ( -3.062 -0.544 1.617) 3.506 5.900 ( -0.125 -1.366 1.449) 1.995 5.932 ( -1.752 -0.364 -0.220) 1.803 5.953 ( 0.924 1.253 0.836) 1.767 5.968 ( -2.215 0.393 0.882) 2.416 6.002 ( 2.897 1.542 1.764) 3.726 6.106 ( -0.944 -0.852 1.777) 2.185 6.134 ( -1.933 -1.013 -1.361) 2.572 6.180 ( -0.879 0.424 -1.006) 1.402 6.198 ( 0.468 -0.212 -1.810) 1.882 6.217 ( -0.192 -0.849 1.495) 1.730 6.292 ( -4.974 -0.241 0.574) 5.013 6.462 ( -0.829 2.737 -2.463) 3.775 6.499 ( -1.188 2.132 -0.157) 2.445 8.619 ( -0.128 -1.239 -0.107) 1.250 8.669 ( 0.036 -1.581 0.140) 1.588 9.652 ( 3.696 4.058 -0.067) 5.490 9.853 ( 6.712 0.702 5.760) 8.873 10.374 ( 1.235 2.973 -0.729) 3.300 10.571 ( -5.876 -0.098 1.994) 6.206 10.647 ( 1.187 0.011 -0.251) 1.213 10.729 ( -0.314 1.468 -1.507) 2.127 10.782 ( -5.908 -3.220 -4.108) 7.884 10.941 ( -4.851 1.010 1.085) 5.073 10.950 ( -1.113 1.181 0.539) 1.710 11.052 ( -3.322 0.206 -1.555) 3.673 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -2.595 18.813 1.603) 19.059 1.023 ( 4.326 16.545 2.367) 17.264 1.184 ( -0.141 6.044 -4.335) 7.440 1.370 ( -2.619 5.814 -6.786) 9.312 1.559 ( -3.485 17.143 10.683) 20.497 1.616 ( 1.690 2.040 3.704) 4.554 1.747 ( 0.604 -6.039 -1.871) 6.351 1.870 ( -1.663 -2.643 -4.601) 5.561 1.915 ( -1.259 -2.631 3.668) 4.687 1.982 ( 0.866 -5.954 3.144) 6.789 2.077 ( 3.835 2.171 5.340) 6.923 2.149 ( 3.318 -8.665 -1.815) 9.455 2.217 ( 1.105 -0.881 1.887) 2.358 2.280 ( -2.650 0.789 -4.227) 5.051 2.338 ( 2.063 -2.684 0.890) 3.500 2.433 ( -0.775 0.396 0.381) 0.951 2.471 ( 1.028 1.645 -1.985) 2.775 2.528 ( -1.125 3.441 -0.780) 3.703 2.567 ( 0.913 -1.841 -2.663) 3.364 2.615 ( 1.502 1.272 -3.090) 3.663 2.659 ( 0.492 -2.358 2.435) 3.425 2.710 ( -3.434 -1.829 1.114) 4.047 2.754 ( -4.248 -2.384 -2.386) 5.424 2.846 ( 0.135 -1.871 -1.762) 2.573 2.909 ( 1.411 -3.644 -4.664) 6.084 2.930 ( -0.836 -1.998 3.542) 4.151 2.967 ( 4.166 -5.366 -2.075) 7.103 3.057 ( -4.593 -3.319 1.508) 5.864 3.104 ( -2.487 -0.279 2.451) 3.503 3.132 ( 4.184 -1.877 5.599) 7.237 3.163 ( 1.190 2.347 -3.600) 4.459 3.194 ( -2.334 -1.590 -0.936) 2.975 3.264 ( -1.501 -3.679 2.183) 4.534 3.275 ( 0.977 -1.306 2.830) 3.267 3.361 ( 2.156 0.985 -3.172) 3.960 3.417 ( -1.819 -5.095 -2.652) 6.025 3.462 ( 0.309 -3.842 -3.113) 4.954 3.558 ( 2.282 -2.371 -1.836) 3.768 3.613 ( -0.726 -2.176 -2.870) 3.674 3.643 ( -0.992 -2.725 -1.916) 3.476 3.756 ( -0.885 -1.854 0.140) 2.059 3.772 ( 0.108 -2.934 -1.274) 3.200 3.784 ( -0.119 -2.244 2.303) 3.218 3.821 ( 2.712 -2.023 0.332) 3.399 3.909 ( 2.382 1.527 0.615) 2.895 3.941 ( 1.355 2.694 3.209) 4.403 3.988 ( -1.414 0.723 1.428) 2.136 4.022 ( -1.530 -0.654 -0.559) 1.755 4.078 ( -2.504 4.123 -0.267) 4.831 4.094 ( 2.705 0.725 2.360) 3.663 4.162 ( -0.218 2.830 -0.525) 2.886 4.208 ( -0.153 2.607 -1.751) 3.144 4.264 ( -0.719 2.789 -0.353) 2.902 4.314 ( -0.197 0.252 0.825) 0.885 4.395 ( 1.646 0.266 -2.050) 2.642 4.413 ( -0.026 1.126 -3.534) 3.709 4.514 ( -1.504 -0.609 1.968) 2.551 4.574 ( -1.968 -1.978 -1.819) 3.330 4.595 ( 0.313 -2.293 -1.121) 2.572 4.621 ( 2.513 2.720 0.405) 3.725 4.694 ( -1.038 -0.865 3.855) 4.084 4.764 ( -0.466 -0.680 0.615) 1.029 4.781 ( -0.412 -0.059 2.977) 3.006 4.843 ( 1.019 0.091 0.847) 1.329 4.885 ( -0.711 1.644 1.004) 2.053 4.934 ( 0.767 -0.281 0.405) 0.912 4.980 ( -1.542 2.776 1.038) 3.341 5.024 ( 1.617 2.233 -1.883) 3.339 5.092 ( -1.571 -0.548 1.388) 2.166 5.128 ( -1.365 0.031 -1.298) 1.884 5.182 ( -1.886 0.982 -2.019) 2.932 5.277 ( 1.691 -0.506 -4.114) 4.476 5.425 ( 0.114 1.399 3.614) 3.877 5.500 ( 1.445 -0.383 1.264) 1.957 5.519 ( 3.324 1.039 -2.663) 4.384 5.606 ( -0.816 2.438 -0.401) 2.602 5.633 ( 0.951 -0.855 0.050) 1.280 5.671 ( -0.262 0.606 -0.552) 0.860 5.691 ( -2.728 2.588 0.762) 3.837 5.728 ( 4.515 -0.491 -0.357) 4.556 5.779 ( -5.330 0.740 -0.859) 5.450 5.825 ( -0.772 0.776 2.920) 3.118 5.841 ( -1.715 -2.199 -1.069) 2.986 5.888 ( 1.854 -1.983 0.536) 2.768 5.914 ( 0.599 0.042 -0.226) 0.642 5.971 ( -0.297 -1.734 0.568) 1.849 5.981 ( 1.788 0.413 0.833) 2.015 6.048 ( -1.119 -1.225 -1.881) 2.508 6.068 ( -1.408 0.132 2.077) 2.513 6.131 ( -1.276 0.789 1.708) 2.273 6.145 ( 0.974 0.467 0.768) 1.325 6.184 ( 0.700 -0.134 -1.110) 1.319 6.246 ( 1.627 0.336 4.035) 4.364 6.278 ( 1.448 0.481 3.507) 3.825 6.471 ( -0.156 2.763 -4.986) 5.703 6.506 ( -1.147 1.902 -3.727) 4.338 8.602 ( 0.374 -1.122 0.600) 1.327 8.625 ( -0.483 -1.846 -0.328) 1.936 9.811 ( 0.261 5.005 1.661) 5.280 9.900 ( -1.670 2.240 -2.335) 3.642 10.498 ( 3.587 2.162 2.724) 4.996 10.561 ( -2.413 1.156 4.667) 5.379 10.622 ( -2.281 -2.175 -1.872) 3.666 10.650 ( 2.915 -1.011 1.477) 3.421 10.823 ( 0.375 5.195 -1.205) 5.346 10.933 ( -0.586 2.089 -2.407) 3.241 10.976 ( -0.050 1.375 0.863) 1.624 11.011 ( 0.057 0.371 -1.654) 1.696 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 6.717 13.909 3.501) 15.838 1.132 ( 10.010 10.614 -2.087) 14.738 1.263 ( 4.661 10.382 -2.442) 11.639 1.322 ( 7.596 11.577 -0.621) 13.860 1.582 ( -0.904 3.579 6.057) 7.093 1.680 ( 0.454 -2.342 -3.276) 4.053 1.811 ( 5.312 2.239 2.779) 6.399 1.860 ( 1.667 -1.148 -2.950) 3.578 1.971 ( 3.698 2.115 4.578) 6.253 2.011 ( -3.155 -9.140 1.882) 9.851 2.126 ( -3.645 -2.162 1.113) 4.381 2.153 ( -0.237 -2.857 -0.703) 2.952 2.227 ( 5.912 1.951 -1.153) 6.331 2.259 ( -0.149 -5.114 -1.235) 5.263 2.327 ( -4.038 2.317 3.360) 5.742 2.345 ( -4.211 1.871 -1.184) 4.757 2.428 ( -0.379 2.735 -5.261) 5.941 2.525 ( 0.247 -2.364 -1.798) 2.980 2.535 ( 0.594 -0.624 -4.668) 4.747 2.646 ( 0.287 0.371 0.985) 1.092 2.676 ( 1.857 -1.119 1.183) 2.470 2.717 ( 1.542 -3.263 4.881) 6.071 2.759 ( 0.078 2.010 3.493) 4.031 2.833 ( 1.363 -1.251 0.131) 1.854 2.849 ( -0.929 -5.149 -6.487) 8.334 2.905 ( -2.916 -2.906 1.485) 4.376 3.003 ( -2.315 -2.536 0.673) 3.499 3.023 ( 0.615 -2.955 2.053) 3.650 3.073 ( -4.509 -3.629 3.285) 6.656 3.135 ( 1.304 -0.132 -3.990) 4.199 3.191 ( 2.683 1.236 1.444) 3.289 3.228 ( -1.745 -2.351 -0.852) 3.049 3.275 ( 1.006 -2.966 2.456) 3.980 3.337 ( 2.552 -3.666 0.121) 4.468 3.359 ( 3.183 -1.841 -0.626) 3.730 3.389 ( -0.397 -5.091 0.545) 5.135 3.462 ( 2.879 -1.447 -3.715) 4.918 3.540 ( -0.473 -1.435 -3.499) 3.811 3.597 ( -0.264 -0.881 -2.993) 3.131 3.630 ( 3.155 0.141 0.829) 3.265 3.719 ( -3.276 -3.822 -1.644) 5.296 3.748 ( 0.287 -2.908 0.246) 2.932 3.796 ( -1.836 -0.254 -0.002) 1.854 3.864 ( 2.365 -1.116 0.550) 2.673 3.921 ( 0.128 0.952 -2.362) 2.549 3.978 ( 0.667 1.890 -0.606) 2.094 4.001 ( -1.013 -0.324 0.633) 1.238 4.030 ( 1.335 -0.858 2.675) 3.110 4.067 ( -0.902 3.527 2.594) 4.470 4.134 ( 1.003 -0.182 -1.603) 1.900 4.162 ( 0.784 -0.155 2.249) 2.386 4.212 ( 2.353 0.466 -0.668) 2.490 4.249 ( -0.719 5.458 1.840) 5.805 4.337 ( 1.634 1.351 0.193) 2.129 4.369 ( 0.472 -0.018 -3.516) 3.547 4.384 ( -1.610 3.314 -2.169) 4.276 4.491 ( -3.107 0.365 1.653) 3.538 4.514 ( -1.919 -0.493 -1.025) 2.231 4.586 ( -0.247 -2.735 -0.905) 2.891 4.645 ( 1.091 -1.466 -0.988) 2.077 4.734 ( -0.559 1.712 3.468) 3.907 4.773 ( -0.159 -2.799 2.034) 3.464 4.809 ( 0.565 -0.847 1.492) 1.806 4.840 ( -1.226 0.381 -0.527) 1.388 4.869 ( -1.425 3.542 2.095) 4.355 4.937 ( 0.649 0.333 -2.408) 2.516 5.008 ( 2.452 2.433 1.215) 3.661 5.025 ( -3.758 0.992 1.862) 4.309 5.067 ( -1.354 1.963 0.403) 2.419 5.089 ( -0.287 -1.427 -2.013) 2.484 5.138 ( -1.470 0.893 -0.232) 1.735 5.245 ( -1.189 -0.435 -1.942) 2.318 5.407 ( -4.298 2.397 -0.293) 4.930 5.475 ( -4.446 0.068 -0.702) 4.502 5.510 ( -3.207 -0.318 -1.570) 3.585 5.561 ( -1.260 2.838 -0.934) 3.243 5.587 ( -2.174 -0.275 0.092) 2.193 5.626 ( -2.807 -0.699 0.503) 2.936 5.666 ( -1.807 -0.643 -0.324) 1.945 5.736 ( -2.224 -0.337 1.648) 2.789 5.794 ( -0.511 -0.520 -0.975) 1.217 5.832 ( 4.689 0.649 0.481) 4.758 5.866 ( -0.305 1.243 2.219) 2.562 5.925 ( 1.074 -0.346 0.881) 1.432 5.952 ( 3.318 -3.074 2.124) 4.997 5.964 ( 0.651 -2.076 -0.212) 2.186 6.009 ( -1.513 0.263 -1.364) 2.054 6.051 ( 4.314 -0.017 -0.090) 4.315 6.064 ( -0.618 0.946 0.673) 1.315 6.111 ( 0.444 0.941 1.491) 1.818 6.162 ( -0.887 -0.642 -1.337) 1.728 6.213 ( 2.804 1.075 -0.424) 3.033 6.320 ( -1.370 1.778 -0.342) 2.270 6.331 ( 1.883 2.383 3.179) 4.397 6.436 ( 1.750 0.663 -3.497) 3.966 6.472 ( 3.281 0.941 -0.751) 3.494 8.603 ( -0.701 -1.409 -0.184) 1.584 8.623 ( 0.374 -1.638 0.424) 1.732 9.756 ( -6.328 4.740 0.259) 7.911 9.846 ( -3.448 2.154 0.503) 4.096 10.543 ( -0.999 2.169 -1.789) 2.984 10.585 ( 0.045 2.824 2.760) 3.949 10.613 ( 2.966 -1.981 2.742) 4.499 10.724 ( 3.039 0.635 -2.200) 3.805 10.823 ( 0.276 2.008 -0.499) 2.087 10.913 ( 2.416 -0.234 -1.306) 2.756 10.996 ( 1.456 1.675 0.965) 2.420 11.031 ( 3.159 -0.333 -0.893) 3.300 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 11.834 10.443 2.542) 15.987 1.287 ( 7.302 9.048 -5.284) 12.772 1.342 ( 13.670 9.065 -3.676) 16.809 1.524 ( 4.746 11.476 10.082) 15.995 1.578 ( -1.876 1.964 1.452) 3.080 1.729 ( 0.534 -0.371 -2.158) 2.254 1.839 ( -2.835 0.197 -2.506) 3.788 1.844 ( 1.067 0.554 3.348) 3.557 1.955 ( -2.028 -3.382 1.622) 4.264 2.048 ( 2.201 -0.876 -2.148) 3.198 2.110 ( -4.786 -6.083 2.265) 8.065 2.131 ( -1.221 -2.304 0.445) 2.645 2.203 ( 6.928 -2.786 0.178) 7.469 2.280 ( 2.216 -0.772 -6.357) 6.776 2.297 ( 1.121 0.778 -3.047) 3.338 2.387 ( 3.366 4.442 -5.414) 7.770 2.392 ( 0.806 0.243 1.404) 1.637 2.503 ( -0.415 -0.107 -1.860) 1.909 2.554 ( 0.721 0.492 2.328) 2.486 2.663 ( -2.976 -2.408 3.439) 5.146 2.680 ( -0.289 0.766 -0.703) 1.079 2.704 ( -1.670 -0.984 3.208) 3.748 2.740 ( -1.818 -2.745 -5.536) 6.441 2.807 ( -0.039 -4.183 0.501) 4.213 2.872 ( -1.027 -5.131 0.963) 5.321 2.932 ( 2.335 -3.129 1.306) 4.117 2.985 ( -4.926 -0.370 -0.007) 4.940 3.023 ( 1.126 -1.448 0.395) 1.876 3.043 ( -1.151 -3.378 2.895) 4.596 3.160 ( 1.338 -2.950 -2.162) 3.894 3.171 ( 2.358 -3.527 -0.055) 4.243 3.255 ( 2.356 1.013 0.883) 2.712 3.320 ( 0.305 -2.577 2.493) 3.599 3.361 ( -1.486 -2.931 0.207) 3.293 3.377 ( 2.377 -3.239 -1.069) 4.158 3.447 ( 5.296 -2.192 -1.544) 5.936 3.479 ( 1.035 -1.076 -1.210) 1.922 3.496 ( -0.061 0.803 -0.502) 0.949 3.597 ( 1.596 0.153 0.269) 1.626 3.654 ( -1.358 2.486 3.063) 4.172 3.673 ( -0.616 -3.395 0.404) 3.474 3.774 ( 0.617 -2.132 0.358) 2.248 3.795 ( 1.096 -1.700 1.167) 2.335 3.882 ( -1.008 1.207 -2.004) 2.547 3.899 ( -1.217 -1.273 -1.855) 2.558 3.935 ( -0.017 -2.260 -0.490) 2.313 3.988 ( 0.647 1.262 -0.382) 1.469 4.062 ( -0.865 1.856 0.829) 2.210 4.104 ( 2.768 -0.153 1.700) 3.252 4.136 ( 1.519 -2.476 -2.153) 3.616 4.194 ( -0.619 0.321 1.393) 1.558 4.246 ( -0.988 -0.444 -0.355) 1.140 4.272 ( 1.072 4.271 2.394) 5.012 4.302 ( -4.531 4.452 -0.721) 6.393 4.346 ( 1.810 2.825 1.210) 3.567 4.388 ( 3.521 1.458 -2.765) 4.708 4.444 ( -2.228 0.161 -1.492) 2.686 4.506 ( -0.116 1.104 1.325) 1.728 4.555 ( -1.778 0.671 -1.043) 2.167 4.662 ( 0.280 -5.035 0.135) 5.044 4.700 ( -3.777 0.826 -0.377) 3.885 4.799 ( 0.388 -0.823 1.726) 1.951 4.807 ( -1.156 -0.193 0.734) 1.383 4.831 ( -1.686 2.227 -0.158) 2.797 4.886 ( -0.419 0.093 1.039) 1.124 4.906 ( 0.372 1.578 0.847) 1.829 4.976 ( -1.884 -0.144 0.694) 2.013 5.038 ( -1.132 0.821 -0.121) 1.404 5.051 ( -0.351 0.688 0.203) 0.799 5.070 ( 1.055 1.545 -1.942) 2.696 5.139 ( -0.493 2.057 2.644) 3.386 5.202 ( -2.211 -1.263 -0.495) 2.594 5.301 ( -5.665 2.233 -0.862) 6.150 5.408 ( -1.952 0.658 -0.135) 2.065 5.419 ( -4.828 -2.186 0.342) 5.311 5.499 ( -3.478 -2.154 -2.885) 5.006 5.574 ( -1.896 0.536 1.519) 2.488 5.580 ( 0.193 -1.337 -1.698) 2.169 5.668 ( -0.493 0.618 0.668) 1.035 5.712 ( -2.039 1.014 1.687) 2.834 5.776 ( 0.166 -0.679 -1.395) 1.561 5.869 ( -0.457 0.835 1.248) 1.569 5.888 ( 1.321 0.887 1.456) 2.157 5.953 ( 1.036 -0.453 -0.308) 1.172 5.956 ( -2.210 0.827 -2.172) 3.207 5.982 ( 1.726 -1.232 0.170) 2.127 6.010 ( -1.168 -2.081 1.062) 2.612 6.052 ( -0.841 0.686 -0.007) 1.085 6.112 ( 0.287 0.799 -1.508) 1.730 6.150 ( 2.570 2.848 -1.294) 4.048 6.152 ( 2.623 -1.875 1.341) 3.493 6.216 ( -0.279 0.770 -0.051) 0.820 6.289 ( 1.597 2.733 -2.047) 3.770 6.385 ( 2.400 2.064 0.464) 3.199 6.487 ( 4.044 -0.697 0.593) 4.146 6.536 ( 2.286 0.474 0.791) 2.465 8.592 ( -0.120 -1.532 -0.229) 1.554 8.630 ( -0.172 -2.144 0.322) 2.175 9.653 ( -4.969 4.642 0.070) 6.800 9.768 ( -5.812 0.550 0.804) 5.893 10.509 ( 0.728 4.019 -2.466) 4.771 10.627 ( 0.526 4.701 1.845) 5.078 10.675 ( 0.639 -1.316 2.169) 2.617 10.727 ( 0.727 0.632 -1.194) 1.534 10.813 ( 1.974 0.520 -2.757) 3.430 10.978 ( 2.600 -2.693 1.475) 4.024 11.040 ( 2.120 0.987 0.909) 2.508 11.085 ( 3.869 -1.550 -1.111) 4.313 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 6.576 6.203 -3.056) 9.542 1.370 ( 8.431 6.193 -3.497) 11.030 1.494 ( 3.754 5.581 -1.222) 6.837 1.539 ( -3.451 2.161 3.443) 5.332 1.647 ( -2.488 5.209 -3.074) 6.540 1.702 ( 5.364 7.235 7.175) 11.515 1.763 ( -4.022 2.049 0.358) 4.528 1.861 ( -3.273 -0.799 0.107) 3.371 1.956 ( -5.013 -0.120 5.378) 7.353 2.012 ( 2.642 0.129 2.588) 3.701 2.127 ( 0.049 -1.463 -0.923) 1.731 2.170 ( 1.032 1.993 -0.025) 2.244 2.236 ( 0.380 3.573 -6.487) 7.416 2.274 ( 0.969 -0.312 -2.971) 3.140 2.339 ( 0.941 -2.107 -5.409) 5.880 2.359 ( 5.381 -3.906 -3.770) 7.644 2.420 ( 7.057 -1.487 1.540) 7.375 2.472 ( -2.134 -2.812 -0.837) 3.628 2.578 ( -0.640 -3.666 1.819) 4.142 2.624 ( -4.859 -2.042 -0.435) 5.288 2.658 ( 0.659 3.924 0.844) 4.067 2.713 ( 0.372 -4.433 -4.224) 6.134 2.750 ( 2.564 -5.050 0.978) 5.747 2.804 ( 0.583 -1.544 0.741) 1.809 2.819 ( -4.219 -6.447 -2.347) 8.055 2.878 ( -0.709 -3.491 2.417) 4.305 2.964 ( -1.106 -1.566 0.889) 2.113 3.042 ( -0.793 -2.454 3.802) 4.594 3.080 ( -1.076 -3.245 -1.044) 3.574 3.125 ( 2.786 -5.391 -2.296) 6.488 3.264 ( 2.826 -0.946 0.095) 2.982 3.303 ( 1.167 1.993 -2.285) 3.249 3.321 ( 1.039 -4.258 0.789) 4.453 3.340 ( -0.974 -2.605 1.361) 3.096 3.387 ( -0.898 0.071 -0.437) 1.001 3.472 ( -0.541 -2.226 -0.317) 2.313 3.489 ( 1.051 0.677 0.271) 1.279 3.524 ( 2.255 -0.973 -1.298) 2.778 3.618 ( -0.445 1.573 0.813) 1.825 3.669 ( 0.005 0.365 -0.262) 0.450 3.716 ( -1.650 0.603 2.926) 3.413 3.756 ( -1.346 -0.534 -0.450) 1.517 3.797 ( -1.279 0.058 4.667) 4.839 3.858 ( 2.348 -0.144 0.554) 2.416 3.898 ( -0.030 -2.885 1.032) 3.064 3.945 ( 1.198 0.987 -0.302) 1.581 3.999 ( 0.183 -0.727 0.081) 0.754 4.067 ( 0.927 1.116 -0.464) 1.523 4.135 ( 0.013 0.778 -1.255) 1.477 4.151 ( 1.520 1.048 0.983) 2.092 4.176 ( -2.851 1.821 1.407) 3.664 4.205 ( -0.387 -0.072 -1.017) 1.091 4.240 ( -0.078 0.250 -1.068) 1.100 4.323 ( -2.156 1.505 -1.709) 3.136 4.369 ( 1.480 1.156 1.098) 2.175 4.403 ( 2.779 1.721 -1.528) 3.608 4.431 ( -2.268 2.452 1.178) 3.542 4.481 ( 1.423 0.243 -1.194) 1.873 4.569 ( 2.056 -0.867 1.525) 2.703 4.624 ( -2.843 0.202 -0.091) 2.851 4.645 ( -1.864 -3.171 -1.407) 3.938 4.787 ( -1.016 1.019 0.612) 1.563 4.791 ( -1.581 0.631 0.502) 1.775 4.807 ( -0.911 3.085 0.213) 3.224 4.898 ( -1.927 0.392 -0.997) 2.205 4.939 ( 2.093 -0.203 1.924) 2.850 5.006 ( -0.593 -0.859 -0.112) 1.050 5.011 ( 1.971 0.747 4.568) 5.031 5.055 ( -0.658 0.229 2.097) 2.209 5.076 ( 0.633 -0.293 -0.296) 0.758 5.141 ( -0.560 1.685 0.341) 1.808 5.172 ( -0.901 -0.341 -0.162) 0.977 5.221 ( -1.888 2.976 -0.677) 3.589 5.355 ( -2.642 0.141 0.297) 2.662 5.375 ( -2.032 -4.212 -1.810) 5.015 5.457 ( 0.245 -1.115 1.345) 1.764 5.530 ( -1.660 -0.540 -0.313) 1.773 5.590 ( 1.349 1.120 -1.111) 2.076 5.655 ( 0.009 -0.621 -1.686) 1.797 5.687 ( -2.245 0.250 0.446) 2.303 5.778 ( 0.440 0.780 0.018) 0.896 5.870 ( 0.453 0.884 -2.101) 2.324 5.894 ( -1.324 1.310 -1.513) 2.400 5.921 ( -0.316 -1.995 1.053) 2.278 5.942 ( -0.523 0.987 -1.371) 1.768 5.984 ( 0.807 -0.441 -1.881) 2.093 6.015 ( -0.234 -1.606 1.500) 2.210 6.046 ( 0.103 -0.070 -0.041) 0.131 6.089 ( -0.179 1.658 1.492) 2.238 6.171 ( 1.279 1.243 -0.525) 1.859 6.204 ( -0.357 0.072 1.117) 1.174 6.231 ( 1.175 -1.682 0.191) 2.060 6.319 ( 1.956 4.377 1.100) 4.918 6.422 ( 1.203 3.007 -0.474) 3.273 6.536 ( 1.269 -1.070 -0.578) 1.758 6.561 ( 0.405 -0.078 -0.262) 0.489 8.594 ( 0.352 -1.870 0.139) 1.908 8.624 ( -0.487 -2.379 -0.235) 2.440 9.599 ( -1.518 4.175 0.990) 4.552 9.685 ( -3.235 0.724 -0.392) 3.338 10.520 ( 1.901 4.768 -0.117) 5.134 10.625 ( -1.229 4.725 -0.975) 4.979 10.686 ( -0.860 0.907 1.461) 1.923 10.733 ( 0.987 -0.960 -1.154) 1.797 10.845 ( 2.078 -0.661 1.247) 2.511 11.002 ( 0.008 -2.496 -1.462) 2.893 11.079 ( 0.627 -0.330 1.331) 1.508 11.131 ( 2.230 -2.577 -0.967) 3.542 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -9.020 9.599 -3.216) 13.559 1.348 ( -2.040 8.679 -2.983) 9.401 1.414 ( -6.680 2.697 0.459) 7.219 1.596 ( 2.344 4.141 1.669) 5.043 1.677 ( 0.270 4.678 -2.067) 5.121 1.753 ( 4.644 2.744 2.831) 6.092 1.792 ( -1.566 0.863 3.497) 3.928 1.839 ( 2.438 2.890 3.696) 5.288 1.990 ( -2.313 0.665 -0.533) 2.465 2.009 ( 0.122 -2.892 0.974) 3.055 2.057 ( -6.020 0.706 3.222) 6.864 2.156 ( -4.192 -1.080 0.937) 4.429 2.209 ( -0.881 0.967 -2.759) 3.054 2.242 ( 4.583 2.245 -5.665) 7.624 2.313 ( 4.736 0.128 -6.166) 7.776 2.394 ( 1.045 1.168 -4.077) 4.368 2.474 ( -2.455 -2.950 -0.889) 3.940 2.507 ( -0.158 -2.700 -1.734) 3.213 2.550 ( 0.888 -3.911 3.245) 5.159 2.591 ( 2.004 -8.087 -0.023) 8.332 2.614 ( -3.054 0.299 0.033) 3.068 2.681 ( 0.220 -2.544 -2.300) 3.436 2.736 ( -2.729 -2.637 -0.387) 3.814 2.782 ( 1.957 -5.266 0.871) 5.685 2.856 ( 0.860 -1.863 1.724) 2.680 2.937 ( -0.247 -1.991 -2.722) 3.381 2.981 ( 4.537 -3.575 2.488) 6.290 3.009 ( -3.694 -3.709 -0.960) 5.322 3.061 ( -3.405 -2.565 2.530) 4.957 3.170 ( 3.404 -4.302 -1.267) 5.631 3.249 ( -1.638 -1.578 0.733) 2.390 3.258 ( -4.810 -1.715 -1.372) 5.288 3.296 ( 0.291 -1.521 0.160) 1.557 3.368 ( 0.010 -4.819 -0.097) 4.820 3.408 ( 2.243 -0.888 1.672) 2.935 3.450 ( -4.334 1.616 -0.390) 4.642 3.501 ( 5.149 1.255 -2.086) 5.696 3.571 ( 3.784 0.134 -0.435) 3.812 3.611 ( -0.437 2.697 2.342) 3.599 3.633 ( -1.910 0.930 -0.337) 2.151 3.715 ( 0.800 0.622 -0.367) 1.077 3.753 ( 0.809 0.551 1.157) 1.516 3.854 ( -0.555 -0.800 4.503) 4.607 3.874 ( -1.393 -1.212 0.514) 1.917 3.914 ( -0.066 -1.412 2.039) 2.481 3.932 ( -2.476 -2.117 -0.658) 3.324 4.015 ( -0.709 2.277 0.557) 2.449 4.063 ( 0.121 1.802 -0.266) 1.826 4.125 ( -2.834 -0.014 -0.642) 2.906 4.143 ( -0.396 -0.161 -1.175) 1.250 4.171 ( 0.343 2.285 0.281) 2.328 4.208 ( 1.480 0.845 -0.914) 1.934 4.252 ( 1.904 -2.493 1.466) 3.462 4.279 ( -0.972 1.770 -0.424) 2.063 4.346 ( -0.562 1.928 -0.036) 2.009 4.427 ( 2.420 2.643 -1.146) 3.762 4.469 ( 0.603 -0.150 -1.069) 1.236 4.511 ( 2.865 -0.199 0.492) 2.914 4.568 ( -0.338 -0.241 -1.516) 1.572 4.585 ( -1.271 -1.670 0.193) 2.108 4.671 ( 1.186 -0.533 1.204) 1.772 4.727 ( 0.550 -1.577 -2.269) 2.817 4.795 ( -1.610 2.334 0.336) 2.855 4.823 ( -0.663 1.367 0.079) 1.521 4.880 ( 0.705 2.864 5.874) 6.573 4.963 ( -1.664 1.558 0.206) 2.289 5.016 ( -0.394 -1.233 0.330) 1.336 5.039 ( -1.272 -1.771 0.900) 2.359 5.053 ( 1.253 0.539 -0.682) 1.525 5.104 ( 1.216 -2.044 0.597) 2.452 5.146 ( -1.874 0.851 1.745) 2.699 5.159 ( 0.092 0.532 1.202) 1.317 5.253 ( 5.070 2.359 0.404) 5.606 5.336 ( 2.355 -0.621 -0.878) 2.588 5.370 ( 2.483 -1.386 0.920) 2.989 5.461 ( 0.606 3.177 -4.714) 5.717 5.536 ( 1.790 -1.084 3.122) 3.758 5.589 ( -0.541 -2.125 -1.791) 2.832 5.648 ( -0.060 1.655 -1.361) 2.143 5.668 ( 2.040 -0.838 -0.445) 2.250 5.783 ( -0.353 0.986 1.158) 1.562 5.847 ( 0.305 0.842 -2.572) 2.724 5.866 ( -2.611 -0.051 0.743) 2.716 5.906 ( 0.221 -1.684 -0.656) 1.821 5.938 ( 0.609 0.050 -0.536) 0.813 5.978 ( 0.563 -0.929 -1.911) 2.198 6.016 ( -0.643 -1.625 0.903) 1.967 6.051 ( 1.599 -0.027 -1.474) 2.175 6.138 ( 0.156 1.754 3.639) 4.043 6.172 ( -0.856 0.853 0.297) 1.244 6.202 ( -2.029 0.330 -1.241) 2.402 6.220 ( 0.260 0.385 0.567) 0.733 6.366 ( 0.313 3.377 2.311) 4.104 6.399 ( -2.471 3.851 -1.818) 4.924 6.532 ( -1.019 -1.104 -0.072) 1.504 6.548 ( -0.890 -0.552 -0.717) 1.269 8.601 ( -0.177 -2.038 0.354) 2.076 8.614 ( 0.169 -2.196 -0.450) 2.248 9.618 ( 1.385 3.370 1.590) 3.976 9.666 ( 2.675 1.922 -0.994) 3.441 10.557 ( -0.450 4.433 0.400) 4.474 10.575 ( -0.787 5.054 -1.078) 5.227 10.683 ( -1.317 -1.033 0.676) 1.805 10.738 ( 1.344 1.343 -0.688) 2.021 10.897 ( 0.646 -0.318 2.821) 2.911 10.957 ( -1.642 -3.160 -3.023) 4.671 11.080 ( -2.163 -0.750 1.181) 2.576 11.135 ( -0.586 -2.621 -0.923) 2.840 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -10.090 13.207 1.149) 16.660 1.153 ( -10.531 15.493 -2.569) 18.908 1.383 ( -6.774 4.111 -0.157) 7.926 1.545 ( 0.608 -0.215 4.425) 4.472 1.673 ( -5.706 6.389 2.688) 8.978 1.802 ( -3.102 2.355 -1.875) 4.322 1.857 ( -1.571 -5.710 -0.342) 5.932 1.867 ( -0.680 4.409 -4.000) 5.992 1.934 ( 3.571 1.615 1.353) 4.146 1.990 ( -5.401 -3.080 4.241) 7.526 2.043 ( -2.297 3.553 0.124) 4.232 2.104 ( -0.815 -0.437 -2.893) 3.037 2.156 ( -2.321 -3.311 0.828) 4.128 2.219 ( 1.947 2.469 -1.493) 3.480 2.311 ( -1.259 -0.063 -1.496) 1.956 2.376 ( 5.840 -1.736 -1.869) 6.372 2.438 ( 4.436 -1.341 -5.737) 7.374 2.482 ( -7.182 -2.982 -0.471) 7.791 2.548 ( 2.113 1.226 1.133) 2.693 2.607 ( -1.309 -1.196 -0.695) 1.904 2.655 ( 6.515 -3.355 -0.613) 7.354 2.693 ( 1.290 -4.054 2.161) 4.772 2.751 ( 1.330 -1.441 4.455) 4.867 2.831 ( 1.833 -2.667 0.138) 3.240 2.884 ( -1.225 -1.010 2.139) 2.664 2.899 ( -0.584 -1.909 -3.254) 3.818 2.942 ( -2.208 -3.425 -0.307) 4.086 2.983 ( -2.256 -2.822 -1.368) 3.863 3.052 ( 1.873 -7.629 1.575) 8.012 3.170 ( -1.009 -3.669 -1.126) 3.968 3.237 ( 2.315 -0.403 0.236) 2.362 3.261 ( -0.171 -2.332 0.974) 2.533 3.299 ( -4.998 -0.138 2.473) 5.578 3.353 ( -0.535 -3.196 0.722) 3.320 3.381 ( 0.682 -2.140 -0.021) 2.246 3.460 ( 2.189 -0.085 -3.508) 4.136 3.514 ( -2.045 -2.205 -1.048) 3.185 3.598 ( -1.981 0.716 1.995) 2.901 3.633 ( 1.044 -2.086 2.786) 3.633 3.676 ( 2.059 0.901 -1.034) 2.474 3.721 ( 2.165 1.357 -1.640) 3.037 3.796 ( -0.412 0.762 3.536) 3.640 3.837 ( -2.315 -1.287 -0.941) 2.811 3.845 ( -1.683 -2.911 1.532) 3.696 3.895 ( 1.145 0.618 -1.919) 2.318 3.944 ( -1.388 -1.315 -1.729) 2.578 3.974 ( -1.115 0.168 -0.795) 1.379 4.030 ( -2.515 0.528 -0.287) 2.586 4.093 ( -1.591 -1.015 -0.689) 2.009 4.099 ( -1.511 3.272 2.364) 4.310 4.172 ( 0.102 0.891 -0.429) 0.995 4.224 ( -1.432 -1.537 -0.670) 2.205 4.249 ( 0.165 3.619 1.136) 3.797 4.315 ( 2.184 1.447 0.955) 2.789 4.380 ( 2.378 0.610 -0.910) 2.618 4.440 ( 0.963 0.114 -1.422) 1.721 4.466 ( 2.898 4.822 -0.426) 5.642 4.546 ( 1.068 0.792 -2.067) 2.457 4.579 ( 1.545 -0.280 1.236) 1.998 4.586 ( -1.153 -2.726 2.394) 3.807 4.676 ( 1.935 -2.256 -0.951) 3.121 4.753 ( 1.138 -3.685 -0.556) 3.897 4.769 ( -1.133 1.482 1.091) 2.161 4.797 ( -2.232 0.797 0.451) 2.413 4.922 ( -2.710 0.587 -0.255) 2.784 4.940 ( -0.669 1.115 0.278) 1.329 4.979 ( -0.495 4.681 0.522) 4.736 5.056 ( 2.010 -0.748 1.444) 2.585 5.074 ( -0.775 1.333 2.206) 2.692 5.126 ( 1.770 -1.945 -1.103) 2.852 5.156 ( 0.527 0.669 0.525) 1.000 5.219 ( 4.395 -0.260 4.004) 5.951 5.302 ( 2.884 -0.384 -5.220) 5.976 5.413 ( 2.704 1.803 0.985) 3.396 5.428 ( 5.628 -1.827 -2.762) 6.530 5.476 ( 4.587 4.002 0.676) 6.124 5.553 ( 0.436 0.841 -2.082) 2.287 5.614 ( 1.602 0.824 -1.123) 2.123 5.647 ( 4.181 -1.924 1.749) 4.924 5.705 ( -0.057 -2.977 1.829) 3.495 5.797 ( -0.412 0.479 0.500) 0.806 5.823 ( 0.431 2.108 -0.328) 2.176 5.856 ( 0.575 0.045 0.775) 0.967 5.890 ( -1.009 -1.357 -0.166) 1.699 5.948 ( -1.234 -0.772 -1.724) 2.256 5.976 ( 2.729 1.165 -0.055) 2.968 6.011 ( -1.715 0.538 1.913) 2.625 6.048 ( -1.521 0.167 -1.300) 2.008 6.123 ( -3.836 0.990 -0.387) 3.981 6.143 ( 0.088 -0.764 -1.279) 1.493 6.167 ( -1.614 -1.918 1.924) 3.160 6.225 ( -0.806 -0.685 -1.603) 1.921 6.315 ( -4.333 4.474 -1.806) 6.485 6.362 ( -2.471 2.259 1.043) 3.507 6.521 ( -1.127 0.315 -0.260) 1.199 6.528 ( -0.191 0.441 1.487) 1.562 8.595 ( -0.198 -1.678 -0.336) 1.723 8.622 ( 0.411 -2.160 0.435) 2.242 9.669 ( 3.821 4.093 0.038) 5.599 9.755 ( 6.413 2.350 0.858) 6.884 10.490 ( -2.503 6.082 -2.082) 6.899 10.599 ( -0.129 -0.048 1.298) 1.305 10.650 ( -2.775 -0.590 0.895) 2.975 10.773 ( 2.552 4.091 -0.025) 4.821 10.843 ( -5.045 -3.705 -2.858) 6.881 10.960 ( 0.802 -0.001 1.646) 1.830 11.033 ( -3.953 0.465 0.615) 4.027 11.098 ( -2.342 -1.900 -0.656) 3.086 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -9.214 16.787 1.758) 19.230 1.001 ( -4.435 21.490 0.352) 21.946 1.266 ( -3.241 2.208 -2.775) 4.804 1.515 ( -9.697 6.725 4.475) 12.620 1.584 ( -13.865 12.682 0.098) 18.790 1.657 ( 1.172 -2.812 -0.235) 3.055 1.786 ( -4.634 2.200 -3.332) 6.117 1.851 ( 1.515 -4.423 3.489) 5.833 1.946 ( -1.778 -1.409 0.334) 2.293 1.950 ( 1.717 -0.134 1.188) 2.092 2.033 ( -4.206 -4.228 0.601) 5.994 2.098 ( 2.959 -3.883 0.246) 4.888 2.189 ( 6.093 2.489 -1.756) 6.812 2.247 ( -0.772 -5.282 -0.863) 5.408 2.347 ( 2.989 -2.277 -5.866) 6.967 2.394 ( 1.917 -0.483 4.926) 5.308 2.448 ( 4.456 -2.861 -1.052) 5.399 2.487 ( 3.521 2.142 -3.611) 5.480 2.579 ( 0.468 -0.368 2.159) 2.239 2.624 ( 1.361 0.217 1.241) 1.855 2.674 ( -3.575 1.521 -0.315) 3.898 2.752 ( -0.957 -2.806 1.053) 3.146 2.785 ( 2.559 0.672 -0.878) 2.788 2.839 ( -0.616 -4.769 2.285) 5.324 2.897 ( 0.381 0.298 4.591) 4.617 2.907 ( 1.378 -3.571 -0.612) 3.876 2.946 ( 1.611 -5.809 -1.357) 6.179 2.969 ( 4.838 -3.330 -1.111) 5.977 3.098 ( -0.336 -6.489 1.999) 6.798 3.143 ( -1.035 0.587 -1.745) 2.112 3.209 ( -3.445 1.403 -1.015) 3.856 3.252 ( -1.954 -0.369 2.833) 3.462 3.275 ( -1.803 -1.240 0.711) 2.301 3.307 ( -2.765 -2.954 -1.822) 4.437 3.378 ( -2.334 1.186 -3.985) 4.768 3.463 ( 0.092 -4.857 -2.789) 5.601 3.490 ( 4.044 -2.574 2.184) 5.268 3.543 ( -4.324 -2.896 -3.451) 6.245 3.645 ( -1.295 -0.708 2.432) 2.844 3.685 ( -1.072 -1.620 -4.533) 4.932 3.701 ( 1.876 -2.988 2.509) 4.329 3.804 ( -0.538 -0.778 -3.223) 3.359 3.814 ( -2.601 -3.759 -0.640) 4.615 3.835 ( -1.131 0.215 -1.313) 1.746 3.871 ( 0.309 1.731 1.762) 2.489 3.885 ( 1.354 -1.318 -0.293) 1.912 3.986 ( -0.747 -0.094 1.563) 1.735 4.030 ( 0.771 -0.133 2.081) 2.223 4.057 ( -0.598 -0.532 -0.622) 1.014 4.140 ( -1.388 3.244 -1.749) 3.938 4.149 ( 0.340 4.256 3.571) 5.567 4.220 ( 0.028 0.952 0.019) 0.952 4.261 ( -0.332 2.506 1.177) 2.788 4.327 ( -0.605 1.568 -0.533) 1.763 4.393 ( 1.596 0.336 -4.074) 4.388 4.429 ( 1.648 0.891 -2.250) 2.928 4.512 ( 0.551 2.435 0.616) 2.572 4.563 ( 1.352 2.095 1.542) 2.932 4.583 ( 0.853 -0.692 -0.079) 1.101 4.614 ( -0.582 -3.169 1.434) 3.527 4.691 ( 0.099 -2.401 -0.825) 2.540 4.762 ( -0.523 -1.527 2.084) 2.636 4.772 ( -1.056 1.013 0.510) 1.550 4.802 ( 1.572 -0.811 2.867) 3.369 4.877 ( 0.261 1.744 -0.908) 1.983 4.923 ( -1.505 1.136 0.624) 1.986 4.987 ( -0.470 3.946 1.470) 4.237 5.059 ( -0.512 -1.850 -2.528) 3.174 5.088 ( -0.372 0.300 0.920) 1.037 5.156 ( -0.095 0.969 -0.749) 1.229 5.183 ( 2.976 0.956 0.903) 3.254 5.285 ( 1.875 -0.181 -4.257) 4.655 5.347 ( 4.025 0.404 3.969) 5.667 5.448 ( 2.646 -0.263 -1.573) 3.090 5.486 ( 4.360 0.152 -3.260) 5.446 5.557 ( 4.067 0.346 -0.464) 4.108 5.579 ( 3.949 3.273 -0.150) 5.132 5.645 ( 2.710 1.152 0.395) 2.971 5.706 ( -1.383 -0.414 1.486) 2.072 5.745 ( -0.980 -0.976 -0.385) 1.435 5.781 ( 3.663 -2.956 0.392) 4.723 5.847 ( -3.283 0.861 2.141) 4.013 5.864 ( 1.945 2.574 0.965) 3.368 5.882 ( -0.300 -0.548 -0.020) 0.625 5.922 ( -1.652 -0.565 -0.906) 1.967 5.977 ( -4.047 0.401 0.908) 4.167 5.985 ( -1.194 1.298 0.800) 1.936 6.034 ( 1.757 1.529 2.212) 3.212 6.075 ( -1.395 -1.621 0.148) 2.144 6.111 ( -0.771 -1.374 -1.187) 1.973 6.181 ( -1.174 -1.507 -1.205) 2.259 6.189 ( 0.339 -1.245 0.901) 1.574 6.221 ( -3.462 2.594 -0.530) 4.359 6.301 ( -4.705 0.563 0.387) 4.754 6.509 ( 0.422 2.242 -2.014) 3.043 6.538 ( -0.085 1.733 -0.211) 1.748 8.593 ( 0.254 -1.210 -0.044) 1.237 8.631 ( -0.058 -2.170 0.291) 2.190 9.749 ( 4.678 5.451 0.191) 7.185 9.876 ( 5.333 1.288 0.679) 5.528 10.452 ( -0.105 4.716 -0.274) 4.725 10.577 ( -3.719 0.641 2.553) 4.556 10.626 ( -1.015 -1.344 0.558) 1.774 10.711 ( -5.781 -3.806 -1.428) 7.067 10.816 ( 2.302 5.807 -1.343) 6.389 10.972 ( -1.454 1.466 -0.362) 2.096 10.975 ( -1.933 1.538 1.275) 2.779 11.049 ( -1.954 -0.619 -1.187) 2.368 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -1.594 10.796 -2.321) 11.157 1.204 ( -0.553 4.371 -3.950) 5.917 1.363 ( 0.980 7.651 0.830) 7.758 1.470 ( -1.048 2.722 -2.998) 4.182 1.575 ( 2.647 0.028 1.950) 3.288 1.672 ( -3.872 1.626 -0.312) 4.211 1.700 ( 0.424 -5.511 2.286) 5.982 1.775 ( -1.773 -7.224 0.191) 7.440 1.861 ( 1.864 0.797 2.162) 2.963 1.956 ( 3.978 -7.873 0.424) 8.831 2.098 ( 0.799 4.222 4.675) 6.350 2.107 ( 1.641 4.729 2.979) 5.825 2.199 ( -5.126 2.701 1.276) 5.933 2.292 ( 2.432 2.868 3.181) 4.925 2.330 ( -0.666 -2.454 -0.002) 2.542 2.375 ( 4.180 -5.351 3.796) 7.779 2.510 ( -1.866 1.145 -3.119) 3.811 2.528 ( 2.553 -1.290 -3.937) 4.866 2.605 ( -2.267 4.188 -1.942) 5.142 2.658 ( 0.890 3.993 0.980) 4.207 2.674 ( -3.738 0.026 -1.440) 4.006 2.711 ( -0.729 3.480 -2.453) 4.320 2.759 ( -1.579 1.632 0.663) 2.366 2.777 ( -0.318 -5.578 -1.236) 5.722 2.799 ( 2.990 -6.623 -2.064) 7.554 2.871 ( -2.816 -6.134 1.255) 6.865 2.928 ( 1.783 2.371 0.388) 2.992 2.961 ( 0.221 -2.435 2.436) 3.451 3.112 ( 1.220 1.200 5.030) 5.313 3.157 ( -3.164 3.997 0.022) 5.098 3.174 ( -0.747 -3.041 2.839) 4.226 3.196 ( -0.335 1.513 -1.649) 2.263 3.228 ( -1.794 0.445 -4.120) 4.515 3.254 ( 2.903 -2.688 -2.093) 4.476 3.342 ( -2.174 -2.661 -1.935) 3.943 3.342 ( -1.877 -2.112 -2.114) 3.528 3.433 ( 3.689 1.389 -2.339) 4.584 3.487 ( 3.127 -4.017 -0.387) 5.105 3.581 ( -1.196 -0.700 -1.695) 2.189 3.593 ( -1.100 -1.859 -0.622) 2.248 3.695 ( -0.388 -1.980 -2.297) 3.057 3.709 ( 0.097 -2.905 -2.567) 3.878 3.780 ( 2.016 0.677 3.747) 4.308 3.798 ( 1.910 -1.021 3.296) 3.944 3.933 ( 1.214 1.205 0.123) 1.715 3.962 ( 0.867 -1.532 0.701) 1.895 3.995 ( -0.259 0.757 -0.424) 0.906 4.002 ( -0.008 -0.205 0.588) 0.623 4.127 ( 2.132 2.348 -0.277) 3.184 4.148 ( 0.217 1.670 0.036) 1.684 4.186 ( -2.390 1.106 -0.998) 2.817 4.227 ( -1.799 -1.534 -4.034) 4.675 4.311 ( 0.533 1.798 0.924) 2.090 4.329 ( 0.299 0.392 1.196) 1.294 4.396 ( -1.332 2.446 0.708) 2.874 4.468 ( -2.129 -3.260 3.358) 5.142 4.476 ( 1.859 3.315 -4.107) 5.596 4.534 ( 0.608 -2.165 -3.074) 3.809 4.575 ( -0.463 0.501 -1.404) 1.561 4.616 ( 0.101 -3.112 -2.356) 3.905 4.711 ( 0.149 2.474 5.030) 5.607 4.745 ( -0.582 -1.139 2.437) 2.752 4.797 ( -1.811 1.458 3.445) 4.156 4.831 ( -0.247 -1.538 2.410) 2.870 4.906 ( 0.002 0.859 -0.557) 1.024 4.924 ( 0.336 -0.854 -0.911) 1.294 5.039 ( -0.020 2.088 0.275) 2.107 5.060 ( 1.760 0.156 0.412) 1.814 5.091 ( -1.513 2.020 1.259) 2.820 5.129 ( -2.227 -0.952 -0.183) 2.429 5.206 ( -0.497 2.023 -2.821) 3.507 5.249 ( 0.543 -2.034 -2.817) 3.517 5.450 ( 2.464 1.698 1.739) 3.461 5.493 ( 2.420 -1.961 -0.904) 3.243 5.538 ( -0.588 2.438 2.739) 3.714 5.594 ( -1.212 -2.640 1.545) 3.290 5.656 ( 0.134 1.826 -1.364) 2.283 5.679 ( -0.132 -0.461 -1.593) 1.663 5.731 ( 3.122 1.555 -0.598) 3.539 5.746 ( -2.865 2.622 -1.342) 4.109 5.775 ( 0.407 -1.205 0.642) 1.425 5.806 ( -1.794 -2.032 -0.150) 2.715 5.838 ( 0.649 0.420 -0.296) 0.827 5.855 ( 0.086 -0.738 0.566) 0.934 5.916 ( -1.340 0.591 0.518) 1.553 5.937 ( -1.405 -1.572 1.025) 2.344 6.001 ( 1.183 1.202 0.030) 1.687 6.024 ( 0.255 -1.257 -0.980) 1.615 6.081 ( -0.092 1.241 -0.244) 1.268 6.112 ( -0.485 -1.844 -1.524) 2.441 6.171 ( -0.420 1.411 1.890) 2.396 6.186 ( -0.607 -0.105 0.471) 0.776 6.258 ( 2.814 0.887 5.275) 6.044 6.275 ( 1.951 -0.693 4.721) 5.155 6.514 ( -0.654 1.564 -4.669) 4.967 6.527 ( -1.014 0.223 -4.286) 4.410 8.588 ( 0.123 -0.228 0.446) 0.516 8.596 ( -0.222 -1.033 0.124) 1.064 9.893 ( -0.136 3.126 0.046) 3.129 9.924 ( -0.327 -0.057 -1.301) 1.342 10.541 ( 1.095 2.143 1.098) 2.645 10.580 ( -0.951 -1.891 -0.635) 2.210 10.595 ( -0.684 1.773 4.091) 4.511 10.628 ( 1.845 -1.453 2.757) 3.622 10.916 ( -0.405 3.899 -2.603) 4.705 10.957 ( -0.872 -0.174 -3.031) 3.159 10.996 ( 0.250 0.804 0.628) 1.050 11.009 ( 0.247 -0.565 -0.641) 0.889 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 6.362 11.203 0.122) 12.884 1.284 ( 11.090 3.019 0.091) 11.494 1.432 ( 3.000 5.234 -1.945) 6.338 1.492 ( 9.055 3.182 -0.521) 9.612 1.632 ( 0.833 1.652 3.342) 3.820 1.644 ( 0.365 5.206 -0.536) 5.247 1.744 ( 2.875 -5.767 0.308) 6.452 1.783 ( 2.119 -7.373 0.005) 7.671 1.919 ( 1.644 0.839 -0.437) 1.897 2.014 ( 2.419 -7.322 -2.326) 8.054 2.091 ( -3.016 0.705 -1.195) 3.320 2.116 ( -4.074 0.651 0.903) 4.223 2.161 ( -2.641 1.369 4.135) 5.094 2.240 ( -4.006 -2.417 0.494) 4.704 2.375 ( -0.011 4.007 3.178) 5.115 2.445 ( 0.731 3.788 -2.477) 4.585 2.465 ( -1.871 -2.406 -1.083) 3.235 2.503 ( -1.648 0.750 -4.593) 4.937 2.544 ( 0.978 3.119 4.331) 5.426 2.627 ( -0.467 -1.612 0.649) 1.799 2.652 ( -1.248 -1.298 2.353) 2.963 2.705 ( -3.017 -0.064 0.907) 3.151 2.738 ( 3.531 -1.714 -3.260) 5.102 2.803 ( -0.581 -3.103 -2.620) 4.102 2.831 ( 4.379 1.449 1.193) 4.764 2.857 ( -0.550 -3.299 1.728) 3.765 2.949 ( 0.720 3.921 -0.389) 4.006 3.011 ( -0.067 -0.740 4.395) 4.457 3.038 ( -4.574 0.714 2.521) 5.271 3.123 ( -2.438 -6.615 -1.422) 7.192 3.170 ( 1.655 3.127 -5.688) 6.699 3.222 ( 0.189 -0.333 3.109) 3.132 3.238 ( 1.238 -1.028 0.276) 1.633 3.265 ( 1.281 -2.880 1.443) 3.467 3.323 ( 0.523 -1.020 0.387) 1.209 3.334 ( 1.451 -1.367 1.218) 2.336 3.464 ( 3.608 1.479 -4.347) 5.839 3.502 ( 1.202 -2.204 -3.453) 4.269 3.578 ( 1.489 -0.122 -1.776) 2.320 3.609 ( 3.415 -2.582 1.170) 4.438 3.670 ( 0.257 -0.437 -2.027) 2.089 3.694 ( 1.495 -2.501 -0.760) 3.012 3.810 ( -2.036 1.253 -0.666) 2.482 3.838 ( 0.374 -1.546 0.252) 1.610 3.942 ( -1.240 1.398 -2.793) 3.360 3.970 ( -2.064 -1.289 -1.638) 2.934 4.000 ( 3.418 -0.261 1.923) 3.931 4.011 ( 1.606 -0.962 1.651) 2.497 4.101 ( -2.756 0.104 0.023) 2.758 4.116 ( -2.823 -0.593 -2.828) 4.040 4.179 ( 0.928 2.168 1.357) 2.720 4.221 ( 2.394 -0.872 1.095) 2.773 4.339 ( 0.524 3.247 1.505) 3.617 4.365 ( 2.217 0.518 1.285) 2.614 4.389 ( -0.072 3.024 0.193) 3.031 4.447 ( -0.881 0.041 -1.516) 1.754 4.479 ( 0.118 0.579 1.001) 1.162 4.504 ( -0.117 -0.611 -3.123) 3.184 4.547 ( -1.309 0.232 -0.184) 1.342 4.600 ( -0.099 -4.012 -0.784) 4.089 4.737 ( -1.339 0.538 2.243) 2.667 4.755 ( -0.798 -0.542 1.388) 1.690 4.810 ( -0.896 0.764 3.621) 3.808 4.831 ( -2.156 -1.018 2.332) 3.335 4.902 ( 0.053 0.160 -0.802) 0.820 4.920 ( 0.446 -1.475 -1.597) 2.219 5.032 ( -1.136 2.766 -0.440) 3.023 5.072 ( -1.997 -0.221 1.787) 2.689 5.096 ( -0.097 1.989 0.670) 2.101 5.112 ( 2.168 1.198 -0.426) 2.513 5.165 ( -1.793 2.290 -0.335) 2.928 5.216 ( -1.713 -2.316 -1.684) 3.337 5.434 ( -4.401 1.069 -1.632) 4.814 5.460 ( -4.148 -1.473 -2.426) 5.026 5.515 ( -5.890 0.776 1.573) 6.146 5.546 ( -5.038 -2.343 1.303) 5.707 5.610 ( -1.957 1.214 -0.695) 2.406 5.644 ( -1.354 -1.351 -0.380) 1.950 5.663 ( -0.910 4.419 -0.432) 4.532 5.742 ( -1.621 -2.364 -0.274) 2.879 5.795 ( -0.555 2.386 0.059) 2.450 5.837 ( 2.212 -0.840 0.741) 2.479 5.882 ( 2.152 0.207 0.437) 2.205 5.895 ( 3.824 -1.694 1.289) 4.377 5.925 ( 0.990 0.643 1.624) 2.007 5.944 ( 0.769 -0.795 0.305) 1.147 6.012 ( 0.057 0.118 -1.271) 1.278 6.025 ( 1.966 -1.470 -0.685) 2.549 6.084 ( 0.676 1.399 0.278) 1.579 6.115 ( 1.070 -1.388 -0.735) 1.901 6.176 ( 0.596 2.102 1.784) 2.820 6.210 ( 2.318 -1.170 0.963) 2.769 6.353 ( -0.069 1.433 0.028) 1.435 6.363 ( 1.866 0.627 2.367) 3.079 6.455 ( 0.743 1.257 -3.390) 3.691 6.475 ( 2.162 -0.592 -1.634) 2.774 8.586 ( -0.634 -0.227 0.080) 0.678 8.595 ( -0.168 -1.096 0.314) 1.152 9.834 ( -5.686 3.051 -0.010) 6.452 9.866 ( -4.758 -0.269 -0.267) 4.773 10.567 ( 0.377 0.774 -0.833) 1.198 10.582 ( 1.979 -1.022 0.823) 2.375 10.658 ( 2.777 3.802 3.119) 5.647 10.714 ( 4.460 -1.798 0.532) 4.838 10.871 ( -1.844 2.442 -1.282) 3.317 10.904 ( -0.903 -0.944 -2.034) 2.417 11.018 ( 1.615 0.717 0.345) 1.800 11.027 ( 2.003 -0.238 -0.296) 2.039 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 8.785 10.404 1.374) 13.686 1.463 ( 2.476 4.331 1.580) 5.232 1.509 ( 11.114 5.417 -3.672) 12.897 1.593 ( 0.364 5.973 -3.937) 7.163 1.661 ( 7.219 -4.451 -2.077) 8.732 1.718 ( 1.796 2.308 4.284) 5.187 1.776 ( 2.603 -1.921 -0.996) 3.385 1.871 ( 2.662 -5.866 5.106) 8.220 1.916 ( -2.201 2.948 5.332) 6.478 1.982 ( -3.005 -4.208 -0.890) 5.247 2.051 ( 1.735 1.336 -2.811) 3.563 2.117 ( 3.866 -3.899 1.165) 5.613 2.133 ( 1.963 3.159 0.050) 3.720 2.237 ( 5.457 -4.459 -5.254) 8.790 2.347 ( -5.514 4.104 0.089) 6.875 2.411 ( -3.968 -0.494 -2.220) 4.574 2.446 ( 0.671 1.198 1.790) 2.256 2.480 ( -1.540 -1.622 -2.908) 3.669 2.559 ( 1.193 0.887 2.451) 2.867 2.605 ( -2.546 -3.325 1.110) 4.332 2.626 ( -4.008 -2.727 -1.334) 5.028 2.649 ( -2.266 -3.046 -0.078) 3.797 2.734 ( -1.277 0.017 -2.062) 2.425 2.769 ( -1.574 -2.076 -1.411) 2.962 2.854 ( 2.500 4.036 -3.914) 6.153 2.938 ( 3.212 -4.534 0.107) 5.557 2.956 ( -0.446 4.718 3.500) 5.891 3.000 ( -4.314 1.500 1.487) 4.804 3.023 ( -2.331 -1.095 1.636) 3.051 3.069 ( -3.171 -5.095 0.720) 6.044 3.187 ( 3.829 3.441 0.751) 5.202 3.250 ( 0.256 -1.828 0.977) 2.089 3.293 ( 0.563 -0.777 3.336) 3.472 3.301 ( 2.384 -2.997 -0.869) 3.927 3.346 ( 2.505 0.841 2.394) 3.565 3.387 ( 2.403 -2.905 1.189) 3.953 3.482 ( 4.021 0.805 -5.163) 6.593 3.499 ( 2.660 -0.635 -2.044) 3.414 3.606 ( 1.257 1.106 -0.090) 1.677 3.632 ( 1.990 -1.433 -0.423) 2.489 3.711 ( 0.584 1.770 1.175) 2.203 3.734 ( 2.360 -1.675 0.188) 2.900 3.775 ( 1.460 1.518 0.566) 2.181 3.850 ( 1.049 -4.308 1.113) 4.572 3.882 ( -1.673 -0.235 -2.057) 2.662 3.892 ( -3.027 -1.373 -2.859) 4.384 4.019 ( -0.123 1.701 -0.442) 1.761 4.064 ( 1.149 -2.290 -0.339) 2.584 4.084 ( 2.027 0.087 -1.087) 2.301 4.110 ( 1.889 -1.087 1.174) 2.475 4.198 ( -0.614 2.140 1.134) 2.498 4.244 ( -0.295 -1.352 0.085) 1.386 4.352 ( -0.375 2.891 -0.127) 2.918 4.365 ( -2.334 1.450 -0.091) 2.749 4.407 ( -0.112 3.432 1.338) 3.685 4.428 ( 0.230 1.283 -1.152) 1.739 4.466 ( -0.578 2.302 -0.343) 2.398 4.501 ( 0.486 -1.444 0.488) 1.600 4.544 ( 0.156 -0.744 1.182) 1.405 4.584 ( -0.918 -3.402 -0.609) 3.576 4.710 ( -4.002 0.401 -0.936) 4.129 4.737 ( -1.504 -2.616 1.021) 3.186 4.834 ( 0.155 1.241 1.912) 2.285 4.847 ( 0.797 0.049 2.831) 2.941 4.898 ( -0.091 -0.407 0.283) 0.504 4.909 ( 0.931 -0.585 -2.508) 2.738 4.992 ( -2.672 2.822 0.876) 3.984 5.042 ( -2.567 -1.558 0.696) 3.082 5.083 ( -0.955 3.181 -0.648) 3.384 5.129 ( 0.569 1.157 -0.528) 1.393 5.165 ( -1.153 -0.164 0.527) 1.278 5.183 ( -0.618 1.019 2.784) 3.028 5.320 ( -5.299 0.071 -1.840) 5.610 5.343 ( -4.435 -3.202 -3.066) 6.271 5.431 ( -5.926 0.189 2.693) 6.512 5.449 ( -5.642 -2.259 1.540) 6.269 5.583 ( -1.588 3.156 -1.910) 4.016 5.625 ( 1.125 1.555 0.100) 1.922 5.661 ( -0.653 -0.267 -1.055) 1.269 5.705 ( -0.960 -2.822 -1.476) 3.327 5.796 ( 0.198 3.022 0.670) 3.101 5.851 ( -0.826 -2.337 1.617) 2.959 5.924 ( 1.544 1.934 0.792) 2.599 5.950 ( 1.290 -0.034 -1.536) 2.006 5.958 ( 1.317 -0.691 0.303) 1.517 5.975 ( 0.289 0.007 2.506) 2.522 5.984 ( -1.079 0.781 -1.340) 1.889 6.031 ( -0.724 -2.648 -0.640) 2.818 6.119 ( 0.530 0.055 -0.091) 0.541 6.123 ( 3.208 -0.498 0.158) 3.251 6.202 ( 0.187 1.872 -1.823) 2.620 6.221 ( -1.106 -0.305 -1.083) 1.577 6.347 ( 3.099 2.905 -1.095) 4.387 6.391 ( 3.869 -1.410 -0.685) 4.175 6.500 ( 2.383 1.799 1.473) 3.330 6.531 ( 2.055 -1.069 1.166) 2.593 8.576 ( -0.453 -0.020 -0.056) 0.457 8.592 ( -0.464 -1.608 0.136) 1.679 9.730 ( -5.508 3.134 0.249) 6.343 9.768 ( -5.823 -0.812 0.362) 5.890 10.573 ( 1.100 2.546 -0.486) 2.816 10.616 ( 0.970 -2.187 0.071) 2.394 10.725 ( 3.121 3.225 -1.425) 4.709 10.763 ( 2.573 0.397 -1.174) 2.856 10.833 ( -1.374 3.072 -0.069) 3.366 10.914 ( 0.306 -4.112 2.913) 5.049 11.053 ( 1.889 0.411 0.038) 1.934 11.062 ( 2.360 -0.718 -0.545) 2.526 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 1.787 5.624 -1.624) 6.120 1.514 ( -0.589 -0.576 1.111) 1.383 1.561 ( 4.774 9.225 -1.348) 10.474 1.631 ( 3.396 6.248 -0.728) 7.148 1.696 ( 2.251 -2.265 -2.552) 4.088 1.757 ( 0.859 -4.470 -1.607) 4.827 1.820 ( 0.608 4.697 2.271) 5.253 1.910 ( -2.114 0.791 0.567) 2.327 1.957 ( 1.017 2.376 5.517) 6.093 1.988 ( -0.018 0.895 4.529) 4.616 2.093 ( 2.213 0.119 -0.333) 2.241 2.229 ( -0.434 0.459 1.987) 2.085 2.240 ( 0.257 -3.723 -1.844) 4.162 2.266 ( -0.381 0.084 -2.257) 2.290 2.280 ( 4.633 -1.960 -1.671) 5.301 2.319 ( 1.702 -1.885 -0.888) 2.690 2.350 ( -0.175 -0.943 -0.806) 1.253 2.404 ( -3.121 -4.191 -1.511) 5.440 2.541 ( -1.457 -1.479 -3.496) 4.066 2.576 ( -0.223 -1.283 -5.947) 6.088 2.635 ( 2.849 0.458 -0.476) 2.925 2.668 ( -2.143 0.316 0.730) 2.286 2.690 ( -2.036 -4.885 -0.098) 5.294 2.744 ( -0.673 -4.392 -2.385) 5.043 2.814 ( -0.238 4.219 -1.030) 4.350 2.849 ( -2.561 -0.074 0.474) 2.606 2.976 ( -2.273 1.107 2.216) 3.362 3.013 ( 1.170 0.082 1.643) 2.018 3.019 ( -3.443 -2.847 1.183) 4.622 3.043 ( 4.022 -3.050 -1.600) 5.295 3.246 ( -0.460 -1.787 -1.354) 2.288 3.253 ( -1.359 -1.663 3.330) 3.963 3.300 ( 0.308 2.201 -0.249) 2.237 3.356 ( 2.458 -1.240 1.758) 3.266 3.392 ( -1.128 0.637 -1.816) 2.230 3.416 ( -0.483 -2.025 2.689) 3.401 3.513 ( 4.910 1.584 -2.144) 5.587 3.530 ( 2.174 0.413 -0.380) 2.245 3.642 ( 2.983 1.451 0.576) 3.367 3.668 ( 1.814 -0.570 0.294) 1.924 3.736 ( -1.180 -0.779 -0.228) 1.432 3.738 ( -0.317 -0.479 1.554) 1.657 3.812 ( -2.606 2.463 2.047) 4.129 3.845 ( 0.409 -0.550 1.306) 1.474 3.859 ( 1.428 -0.618 0.358) 1.597 3.902 ( 0.606 -3.857 0.501) 3.937 4.025 ( 1.719 2.278 0.034) 2.854 4.081 ( 1.866 -3.517 -0.337) 3.995 4.104 ( 1.231 2.506 -0.542) 2.845 4.151 ( 1.268 -1.916 -0.214) 2.307 4.187 ( -0.951 1.374 -0.352) 1.708 4.225 ( -0.969 -1.536 -1.573) 2.403 4.294 ( -2.587 5.136 -0.382) 5.764 4.345 ( -1.595 -0.147 -1.774) 2.390 4.401 ( -0.138 2.380 1.018) 2.592 4.445 ( 0.886 0.097 -0.853) 1.234 4.461 ( -0.079 1.610 0.695) 1.755 4.473 ( -2.198 -0.780 -0.867) 2.488 4.560 ( 1.282 0.292 0.422) 1.381 4.585 ( 0.049 -2.410 -0.684) 2.506 4.639 ( -1.525 1.730 0.405) 2.342 4.710 ( -1.273 -4.811 -0.105) 4.978 4.851 ( -0.565 2.394 2.243) 3.328 4.868 ( -1.231 1.945 3.893) 4.523 4.907 ( 0.510 0.193 -0.292) 0.619 4.917 ( 1.653 -0.979 -1.524) 2.452 4.986 ( -1.430 -0.633 1.106) 1.916 5.004 ( -1.440 -1.523 1.514) 2.586 5.090 ( 0.709 2.300 -0.050) 2.407 5.110 ( -1.926 1.823 -0.897) 2.800 5.163 ( 1.128 1.833 1.472) 2.608 5.191 ( -1.408 2.553 0.592) 2.975 5.234 ( -0.640 -2.187 -1.044) 2.506 5.272 ( -1.865 -4.453 -0.698) 4.878 5.374 ( -3.695 0.705 2.989) 4.805 5.406 ( -2.624 -2.890 4.279) 5.792 5.554 ( 0.696 3.686 -1.723) 4.128 5.628 ( 0.122 -1.604 -3.328) 3.697 5.643 ( 0.881 1.491 -0.677) 1.860 5.678 ( -0.643 -1.211 -0.870) 1.624 5.804 ( 0.026 1.903 0.252) 1.920 5.851 ( -0.850 -2.899 1.021) 3.189 5.909 ( -0.090 2.191 -3.597) 4.213 5.933 ( -1.084 1.525 -1.183) 2.214 5.951 ( -0.093 -0.508 -3.190) 3.231 5.963 ( -0.142 -1.587 -2.126) 2.657 6.001 ( -0.386 0.495 1.734) 1.844 6.026 ( 0.100 -1.594 0.534) 1.684 6.132 ( 1.608 2.406 1.426) 3.227 6.174 ( 2.092 -1.545 0.621) 2.674 6.201 ( -0.017 -0.091 0.846) 0.851 6.205 ( -0.336 -0.392 1.023) 1.146 6.401 ( 2.119 3.798 0.698) 4.405 6.451 ( 2.275 -0.815 0.033) 2.416 6.530 ( 0.344 0.876 -0.562) 1.096 6.553 ( 0.027 -0.962 -0.437) 1.057 8.571 ( -0.029 -0.328 0.046) 0.333 8.584 ( -0.380 -1.553 -0.114) 1.603 9.665 ( -2.104 2.461 0.578) 3.290 9.691 ( -2.791 -0.351 0.188) 2.819 10.589 ( 0.685 2.171 0.209) 2.286 10.621 ( 0.191 -1.570 -0.480) 1.653 10.752 ( 2.444 2.981 -0.989) 3.980 10.802 ( -1.008 6.227 1.325) 6.445 10.815 ( 1.579 -1.643 -0.410) 2.315 10.926 ( -1.288 -5.265 0.104) 5.422 11.078 ( 0.775 0.157 -0.002) 0.791 11.091 ( 1.263 -1.346 -0.444) 1.898 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -2.004 5.877 0.652) 6.243 1.475 ( -3.163 3.213 0.761) 4.572 1.576 ( -1.511 10.713 -4.952) 11.898 1.661 ( 2.429 2.192 -2.249) 3.970 1.713 ( -3.997 -2.955 -1.590) 5.219 1.736 ( 2.583 -3.956 -1.025) 4.835 1.836 ( -0.794 3.800 4.517) 5.956 1.889 ( -0.707 0.583 1.806) 2.025 1.972 ( -8.794 2.087 5.449) 10.554 2.040 ( -0.828 0.202 2.186) 2.346 2.070 ( -0.346 3.443 0.919) 3.580 2.132 ( -4.959 -2.610 0.362) 5.615 2.214 ( 4.465 -2.460 -2.988) 5.909 2.230 ( -4.347 2.629 2.757) 5.780 2.288 ( -2.829 -6.229 -1.178) 6.942 2.348 ( -2.535 -5.328 -1.387) 6.061 2.425 ( 7.706 1.776 -4.692) 9.196 2.448 ( 1.712 -2.041 -5.050) 5.709 2.487 ( 2.649 -0.354 -3.352) 4.287 2.521 ( 1.187 -1.596 -0.657) 2.095 2.629 ( 3.739 0.910 -0.544) 3.887 2.660 ( 1.176 -1.984 -2.825) 3.647 2.661 ( 0.257 -0.604 1.621) 1.749 2.708 ( 4.596 -3.479 -0.621) 5.797 2.859 ( 1.723 1.484 1.606) 2.784 2.903 ( -0.277 -2.668 2.194) 3.466 2.956 ( -0.193 0.942 -2.422) 2.606 2.968 ( -2.121 -0.837 -0.445) 2.323 3.027 ( -3.589 -0.283 1.121) 3.771 3.072 ( -0.378 -4.808 0.391) 4.839 3.209 ( -0.346 -0.799 -1.818) 2.016 3.234 ( 1.508 -3.113 -1.997) 3.994 3.275 ( -4.713 2.417 2.678) 5.935 3.319 ( -4.774 -1.752 1.812) 5.398 3.420 ( 1.054 1.158 2.374) 2.844 3.445 ( -1.195 -1.351 2.869) 3.389 3.533 ( -0.057 2.141 -1.957) 2.901 3.570 ( 0.787 -0.993 -0.739) 1.467 3.677 ( -1.172 2.675 -0.328) 2.939 3.686 ( 0.356 3.861 -1.464) 4.144 3.719 ( 2.474 -0.037 -0.652) 2.559 3.749 ( 3.676 -0.947 0.430) 3.821 3.814 ( -2.697 -1.373 4.181) 5.161 3.836 ( -3.515 -3.007 1.858) 4.985 3.890 ( 1.329 0.006 0.553) 1.440 3.907 ( 0.585 -1.186 0.312) 1.359 4.048 ( -1.998 1.393 0.110) 2.438 4.074 ( -0.912 -0.742 -1.196) 1.677 4.128 ( -0.731 -0.630 -1.467) 1.756 4.134 ( 0.335 -0.634 0.152) 0.733 4.167 ( -0.562 0.777 1.258) 1.582 4.207 ( 0.311 -1.978 -1.623) 2.577 4.282 ( 0.347 4.350 0.614) 4.407 4.318 ( 1.266 1.031 -0.047) 1.633 4.384 ( 1.065 1.618 -2.332) 3.032 4.419 ( 1.914 -2.123 -4.476) 5.311 4.494 ( 0.551 1.517 2.136) 2.677 4.502 ( 1.604 -0.096 2.573) 3.033 4.568 ( -0.510 -0.054 0.368) 0.631 4.571 ( 0.704 -0.173 -0.728) 1.027 4.659 ( -0.574 0.034 0.932) 1.095 4.684 ( -0.569 -2.396 -0.638) 2.544 4.837 ( -3.136 2.114 0.429) 3.807 4.859 ( -2.871 0.604 -0.126) 2.936 4.938 ( 3.041 2.532 3.162) 5.065 4.961 ( -0.897 -0.714 1.312) 1.742 4.987 ( 1.966 -1.477 1.978) 3.156 4.996 ( 0.364 -1.880 0.292) 1.937 5.079 ( 1.452 1.317 -1.790) 2.655 5.086 ( 0.390 0.033 -0.556) 0.680 5.174 ( -1.157 1.319 1.216) 2.135 5.182 ( -1.951 1.628 1.256) 2.834 5.264 ( 3.575 -0.510 -1.927) 4.093 5.289 ( 4.711 -2.925 -0.229) 5.550 5.380 ( -0.118 2.010 5.078) 5.463 5.441 ( 0.571 -3.988 4.980) 6.405 5.562 ( 2.690 3.436 -2.979) 5.284 5.590 ( 0.896 0.869 -4.392) 4.566 5.651 ( 0.701 -0.480 -0.410) 0.943 5.663 ( 0.454 -0.886 -2.291) 2.498 5.802 ( -0.731 1.234 0.884) 1.685 5.838 ( -1.989 -2.344 1.330) 3.349 5.882 ( 0.723 2.074 -2.979) 3.701 5.895 ( -1.014 0.530 -0.843) 1.421 5.937 ( 1.925 -0.506 -1.297) 2.375 5.947 ( 1.253 -1.814 -2.283) 3.173 6.006 ( -0.054 0.806 0.912) 1.218 6.033 ( 1.123 -1.583 -0.751) 2.081 6.171 ( -2.159 1.404 1.746) 3.111 6.184 ( -2.731 0.169 1.024) 2.922 6.205 ( 0.658 0.295 -0.257) 0.766 6.217 ( 0.552 -0.600 0.648) 1.041 6.428 ( -0.757 2.850 1.797) 3.454 6.455 ( -1.970 1.029 -0.378) 2.254 6.514 ( -0.609 -0.121 -0.300) 0.689 6.532 ( -0.666 -1.174 -1.130) 1.760 8.573 ( 0.013 -0.653 0.133) 0.667 8.579 ( 0.196 -1.225 -0.200) 1.257 9.672 ( 1.859 1.976 0.705) 2.803 9.689 ( 2.680 0.220 0.064) 2.690 10.598 ( -0.143 1.005 0.551) 1.155 10.615 ( -0.310 -0.736 -0.834) 1.155 10.746 ( -3.997 6.446 -0.909) 7.639 10.799 ( 2.576 3.998 1.046) 4.870 10.867 ( -2.214 -4.021 -0.983) 4.695 10.879 ( 1.508 -3.663 0.855) 4.052 11.076 ( -1.056 0.198 0.034) 1.075 11.092 ( -0.612 -1.580 -0.450) 1.753 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -7.226 10.050 0.823) 12.405 1.441 ( -5.072 1.996 0.472) 5.471 1.477 ( -5.639 12.769 -3.425) 14.373 1.572 ( -2.754 2.435 0.676) 3.738 1.700 ( -2.869 -6.086 -1.099) 6.817 1.745 ( 2.058 -5.824 -3.521) 7.110 1.814 ( -11.582 4.333 6.698) 14.064 1.889 ( -3.757 -3.079 5.033) 6.995 1.934 ( 2.959 0.604 -1.232) 3.262 1.977 ( -0.684 0.048 -0.217) 0.719 2.044 ( -6.150 0.581 1.474) 6.351 2.125 ( -1.127 0.208 -2.820) 3.044 2.158 ( -2.638 2.064 -2.369) 4.103 2.204 ( -3.340 -7.927 0.509) 8.617 2.262 ( 1.343 0.247 1.097) 1.751 2.297 ( 4.854 -2.605 -3.519) 6.536 2.452 ( 2.566 1.239 -0.719) 2.938 2.473 ( 3.999 0.725 -2.551) 4.799 2.575 ( 2.364 1.628 -0.670) 2.948 2.603 ( 5.115 1.225 4.178) 6.717 2.635 ( 4.315 -0.130 -1.208) 4.483 2.699 ( 0.935 2.317 -0.119) 2.501 2.727 ( 1.276 -0.585 2.052) 2.486 2.758 ( 2.798 -3.576 -2.498) 5.182 2.861 ( -0.219 -1.604 -5.590) 5.820 2.879 ( -4.232 -2.281 2.136) 5.260 2.934 ( -2.346 0.783 2.216) 3.321 2.939 ( -0.155 0.534 0.154) 0.577 2.969 ( -0.036 0.565 0.146) 0.585 3.063 ( 3.124 -6.509 -0.159) 7.222 3.230 ( -1.942 0.055 2.578) 3.228 3.240 ( 1.860 -0.783 -1.104) 2.300 3.260 ( -0.290 -1.324 1.515) 2.033 3.287 ( -1.556 -3.105 4.603) 5.766 3.380 ( -4.535 1.823 0.450) 4.908 3.433 ( -3.183 -2.970 2.012) 4.796 3.517 ( 0.211 2.086 -5.582) 5.963 3.564 ( -0.092 -2.830 -0.721) 2.922 3.643 ( -0.978 1.627 -0.743) 2.039 3.668 ( -1.014 -1.122 -1.148) 1.899 3.748 ( -0.717 1.414 -1.847) 2.434 3.781 ( -3.234 -2.162 1.170) 4.063 3.793 ( -1.489 -1.335 3.035) 3.635 3.802 ( 0.933 -1.806 0.264) 2.050 3.916 ( 1.484 1.757 -2.458) 3.366 3.940 ( 1.523 -0.031 -1.260) 1.977 3.984 ( -3.119 0.654 -0.748) 3.274 4.010 ( -3.551 -1.984 -0.398) 4.087 4.100 ( -0.655 2.846 -1.643) 3.351 4.155 ( 0.757 -0.271 2.199) 2.341 4.188 ( -0.321 -0.605 -0.339) 0.764 4.195 ( 2.015 0.468 1.241) 2.413 4.313 ( 0.297 2.320 0.102) 2.341 4.329 ( 0.905 0.323 -0.629) 1.148 4.399 ( 1.568 2.047 -0.065) 2.579 4.450 ( 3.690 -1.317 -0.318) 3.931 4.509 ( -2.635 -0.341 1.584) 3.093 4.542 ( 1.872 0.177 1.075) 2.166 4.566 ( -0.099 1.664 1.301) 2.115 4.602 ( 3.249 0.641 -1.965) 3.851 4.629 ( -0.521 -0.770 -0.295) 0.975 4.680 ( 0.321 -3.838 -0.713) 3.917 4.802 ( -2.187 1.443 2.086) 3.349 4.815 ( -2.240 0.259 0.945) 2.445 4.941 ( -1.534 1.288 0.112) 2.007 4.960 ( -0.588 0.045 -0.400) 0.713 5.024 ( 0.385 -0.201 2.337) 2.377 5.031 ( 1.076 -0.701 -0.730) 1.477 5.108 ( 0.063 2.040 -0.205) 2.051 5.116 ( 2.758 0.968 0.289) 2.937 5.177 ( 1.055 0.877 -0.048) 1.373 5.204 ( 2.802 -1.452 3.111) 4.431 5.312 ( 4.766 1.625 -3.347) 6.046 5.361 ( 4.679 -3.287 -1.118) 5.827 5.460 ( 2.772 3.019 3.087) 5.131 5.524 ( 3.130 -1.872 2.731) 4.556 5.563 ( 3.149 0.672 -2.551) 4.108 5.593 ( 2.849 -0.856 -3.721) 4.764 5.640 ( 0.573 0.989 -0.397) 1.210 5.672 ( 1.411 -1.032 0.027) 1.749 5.808 ( -0.073 1.016 0.586) 1.175 5.834 ( -0.188 -1.334 2.139) 2.527 5.874 ( 0.346 0.998 -0.535) 1.184 5.880 ( -0.155 0.129 -0.250) 0.321 5.946 ( 0.624 1.187 -0.288) 1.371 5.976 ( 2.161 -1.178 0.186) 2.468 6.023 ( 0.548 1.024 1.097) 1.598 6.044 ( -0.129 -0.793 -0.967) 1.257 6.125 ( -3.534 -0.732 -0.375) 3.628 6.127 ( -2.352 -0.825 0.216) 2.502 6.163 ( -3.825 1.777 -1.007) 4.337 6.200 ( -2.534 -1.755 -1.667) 3.505 6.382 ( -4.561 2.187 -1.382) 5.243 6.395 ( -4.168 0.809 -0.027) 4.246 6.527 ( 0.960 0.340 0.792) 1.290 6.532 ( 0.876 -0.064 1.448) 1.693 8.575 ( 0.208 -0.285 -0.095) 0.365 8.586 ( 0.415 -1.412 0.177) 1.483 9.741 ( 5.252 3.028 0.249) 6.068 9.775 ( 6.180 -0.384 0.373) 6.203 10.586 ( -1.617 2.305 -1.307) 3.104 10.597 ( -0.692 0.005 0.637) 0.940 10.661 ( -4.553 3.179 -0.076) 5.554 10.751 ( -5.759 -4.938 -2.012) 7.848 10.874 ( 3.256 4.859 0.745) 5.896 10.944 ( 2.269 -2.082 1.817) 3.576 11.045 ( -2.310 0.675 -0.042) 2.407 11.063 ( -1.877 -1.442 -0.453) 2.410 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -4.849 10.909 0.247) 11.941 1.314 ( -6.670 7.208 -1.402) 9.920 1.400 ( -3.479 10.081 1.436) 10.761 1.516 ( -3.135 1.272 -0.375) 3.404 1.598 ( -4.052 -6.266 -4.775) 8.859 1.686 ( -3.445 -4.629 1.697) 6.015 1.755 ( -4.727 0.463 4.313) 6.416 1.825 ( -7.239 -3.396 3.668) 8.797 1.869 ( -2.512 1.793 -2.606) 4.039 1.986 ( -5.539 -6.650 -3.152) 9.210 2.033 ( 3.159 3.127 -0.737) 4.506 2.058 ( 1.950 0.923 2.224) 3.098 2.149 ( 3.040 0.977 0.727) 3.275 2.205 ( 6.408 -2.152 0.446) 6.775 2.301 ( -1.073 1.044 -0.938) 1.767 2.368 ( -0.105 -3.448 4.124) 5.377 2.476 ( 3.489 4.556 -0.613) 5.771 2.532 ( 3.315 0.835 -1.743) 3.837 2.625 ( 3.206 3.386 0.817) 4.734 2.635 ( 0.233 0.796 -2.448) 2.585 2.696 ( -0.092 -1.080 -1.634) 1.961 2.729 ( 1.509 3.444 0.556) 3.801 2.754 ( 1.854 -5.274 0.155) 5.592 2.808 ( 1.266 -1.782 -3.875) 4.449 2.816 ( -1.188 -1.407 0.059) 1.842 2.853 ( 3.193 -3.063 3.242) 5.486 2.907 ( -3.083 -0.333 2.354) 3.893 2.928 ( 0.101 -2.588 3.280) 4.179 3.027 ( 1.410 3.400 1.479) 3.967 3.149 ( 1.960 -5.085 1.647) 5.693 3.191 ( -2.899 2.025 0.909) 3.651 3.235 ( -0.329 -1.618 0.314) 1.681 3.264 ( -1.823 0.186 1.173) 2.176 3.313 ( -2.125 -0.444 -1.122) 2.443 3.349 ( -0.048 -0.786 1.529) 1.720 3.418 ( -0.418 -4.159 0.632) 4.228 3.430 ( 0.756 1.457 -6.843) 7.037 3.478 ( -3.048 -3.242 -6.028) 7.492 3.631 ( -3.683 0.115 2.148) 4.265 3.651 ( -2.133 -1.767 0.038) 2.770 3.674 ( 0.830 0.470 -1.865) 2.095 3.723 ( -1.523 -4.453 -1.505) 4.941 3.795 ( -4.061 -0.037 -0.802) 4.140 3.811 ( -3.897 -1.564 0.286) 4.209 3.888 ( 4.167 2.059 -1.649) 4.932 3.913 ( 4.213 0.059 -2.049) 4.685 3.987 ( -0.446 0.258 1.826) 1.897 3.997 ( -0.789 -1.123 1.847) 2.301 4.097 ( 1.811 2.979 -1.372) 3.747 4.148 ( 0.297 -1.830 -1.431) 2.342 4.231 ( 0.025 3.118 1.682) 3.542 4.248 ( 2.243 1.362 -0.496) 2.670 4.304 ( -0.684 1.328 0.928) 1.759 4.325 ( -0.835 -1.087 -0.278) 1.399 4.414 ( -0.941 2.047 0.593) 2.330 4.471 ( -2.809 -0.576 2.512) 3.812 4.482 ( 1.919 0.581 -2.582) 3.269 4.546 ( 0.818 -3.179 -1.845) 3.765 4.591 ( 0.872 1.646 -2.446) 3.074 4.637 ( 2.607 1.014 -1.523) 3.185 4.644 ( -0.437 -0.173 4.035) 4.062 4.707 ( 0.768 -3.295 3.854) 5.129 4.795 ( -1.568 1.195 2.414) 3.117 4.807 ( -0.071 0.049 1.405) 1.407 4.919 ( -0.493 2.035 -0.685) 2.204 4.939 ( -1.233 0.093 -0.379) 1.293 5.026 ( 0.831 0.470 -1.023) 1.399 5.051 ( -0.749 -0.828 1.822) 2.137 5.099 ( -0.644 2.499 0.450) 2.619 5.148 ( 0.507 -1.683 -0.231) 1.773 5.209 ( 2.404 2.179 -0.620) 3.303 5.262 ( 1.226 -2.610 -1.126) 3.096 5.369 ( 4.677 2.748 -0.402) 5.439 5.434 ( 5.112 -2.749 -1.788) 6.074 5.509 ( 1.109 3.484 0.784) 3.740 5.564 ( 2.455 -0.775 -0.445) 2.612 5.633 ( 5.374 0.997 -1.178) 5.591 5.655 ( 1.332 1.770 -0.691) 2.321 5.672 ( 4.663 -3.442 2.032) 6.142 5.695 ( 2.174 -1.692 -1.101) 2.967 5.805 ( -0.862 2.855 0.267) 2.994 5.850 ( -0.503 -0.835 1.176) 1.528 5.861 ( -2.223 -0.235 0.415) 2.273 5.884 ( -0.977 -1.188 0.515) 1.622 5.957 ( -1.377 3.350 0.258) 3.632 5.979 ( -5.019 0.154 1.906) 5.371 5.995 ( -2.218 -0.058 0.592) 2.296 6.025 ( 0.335 -2.437 -1.588) 2.928 6.079 ( 0.634 1.987 -0.598) 2.170 6.107 ( 1.207 0.424 0.654) 1.436 6.141 ( 0.213 -1.795 -0.847) 1.997 6.155 ( 0.086 -1.930 2.542) 3.193 6.274 ( -5.635 2.324 -0.826) 6.151 6.302 ( -5.406 -0.582 -0.168) 5.439 6.545 ( 0.867 1.413 -1.359) 2.144 6.558 ( 0.668 0.210 -0.722) 1.006 8.580 ( 0.371 -0.003 0.124) 0.391 8.594 ( 0.180 -1.450 0.272) 1.487 9.841 ( 5.255 3.761 -0.048) 6.462 9.885 ( 5.317 -0.748 -0.230) 5.374 10.542 ( -1.658 4.370 -0.405) 4.692 10.590 ( -1.201 0.256 1.180) 1.703 10.604 ( -2.686 -0.690 1.874) 3.347 10.638 ( -4.732 -3.575 -0.394) 5.944 10.923 ( 2.007 4.813 -1.046) 5.318 10.981 ( 0.568 -0.892 -0.108) 1.063 11.004 ( -1.943 1.205 0.046) 2.287 11.027 ( -1.199 -1.444 -0.761) 2.025 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -13.345 0.000 -17.449) 21.967 0.818 ( 13.345 0.000 17.449) 21.967 0.858 ( 3.829 0.000 -20.051) 20.414 0.858 ( -3.829 0.000 20.051) 20.414 1.401 ( 13.949 0.000 -29.049) 32.224 1.401 ( -13.949 0.000 29.049) 32.224 1.756 ( -9.943 0.000 -5.840) 11.531 1.756 ( 9.943 0.000 5.840) 11.531 2.065 ( -3.187 0.000 -5.607) 6.449 2.065 ( 3.187 0.000 5.607) 6.449 2.153 ( 1.799 0.000 -4.883) 5.204 2.153 ( -1.799 0.000 4.883) 5.204 2.280 ( -0.038 0.000 -0.257) 0.260 2.280 ( 0.038 0.000 0.257) 0.260 2.410 ( 0.328 0.000 -6.231) 6.240 2.410 ( -0.328 0.000 6.231) 6.240 2.547 ( 2.741 0.000 -3.793) 4.680 2.547 ( -2.741 0.000 3.793) 4.680 2.695 ( -8.356 0.000 2.355) 8.681 2.695 ( 8.356 0.000 -2.355) 8.681 2.739 ( -8.167 0.000 -5.545) 9.871 2.739 ( 8.167 0.000 5.545) 9.871 2.841 ( 3.410 0.000 -2.023) 3.965 2.841 ( -3.410 0.000 2.023) 3.965 3.002 ( 0.277 0.000 -2.615) 2.630 3.002 ( -0.277 0.000 2.615) 2.630 3.058 ( -0.491 0.000 -2.677) 2.721 3.058 ( 0.491 0.000 2.677) 2.721 3.145 ( 1.170 0.000 -3.175) 3.383 3.145 ( -1.170 0.000 3.175) 3.383 3.167 ( 4.259 0.000 -3.260) 5.364 3.167 ( -4.259 0.000 3.260) 5.364 3.391 ( 4.919 0.000 -3.200) 5.868 3.391 ( -4.919 0.000 3.200) 5.868 3.407 ( 4.241 0.000 -5.904) 7.269 3.407 ( -4.241 0.000 5.904) 7.269 3.585 ( -0.525 0.000 -5.374) 5.400 3.585 ( 0.525 0.000 5.374) 5.400 3.651 ( -0.704 0.000 -0.536) 0.885 3.651 ( 0.704 0.000 0.536) 0.885 3.796 ( -1.821 0.000 0.173) 1.829 3.796 ( 1.821 0.000 -0.173) 1.829 3.869 ( -1.598 0.000 -0.898) 1.833 3.869 ( 1.598 0.000 0.898) 1.833 3.910 ( -2.084 0.000 -0.641) 2.180 3.910 ( 2.084 0.000 0.641) 2.180 3.961 ( -0.652 0.000 -2.188) 2.283 3.961 ( 0.652 0.000 2.188) 2.283 4.046 ( -0.396 0.000 -4.077) 4.096 4.046 ( 0.396 0.000 4.077) 4.096 4.123 ( 3.118 0.000 -6.892) 7.564 4.123 ( -3.118 0.000 6.892) 7.564 4.269 ( 0.366 0.000 -4.957) 4.970 4.269 ( -0.366 0.000 4.957) 4.970 4.387 ( -0.802 0.000 -1.504) 1.704 4.387 ( 0.802 0.000 1.504) 1.704 4.422 ( 0.434 0.000 -0.350) 0.558 4.422 ( -0.434 0.000 0.350) 0.558 4.658 ( 4.116 0.000 -2.699) 4.922 4.658 ( -4.116 0.000 2.699) 4.922 4.724 ( 0.557 0.000 -0.387) 0.678 4.724 ( -0.557 0.000 0.387) 0.678 4.842 ( 1.752 0.000 -1.672) 2.421 4.842 ( -1.752 0.000 1.672) 2.421 4.919 ( -2.198 0.000 -3.097) 3.798 4.919 ( 2.198 0.000 3.097) 3.798 4.994 ( 0.599 0.000 -2.143) 2.225 4.994 ( -0.599 0.000 2.143) 2.225 5.101 ( 0.316 0.000 -0.940) 0.992 5.101 ( -0.316 0.000 0.940) 0.992 5.108 ( 1.382 0.000 -2.272) 2.659 5.108 ( -1.382 0.000 2.272) 2.659 5.462 ( -0.073 0.000 -2.400) 2.401 5.462 ( 0.073 0.000 2.400) 2.401 5.548 ( 0.522 0.000 -0.492) 0.718 5.548 ( -0.522 0.000 0.492) 0.718 5.623 ( -5.058 0.000 -0.976) 5.151 5.623 ( 5.058 0.000 0.976) 5.151 5.690 ( -4.038 0.000 -1.889) 4.458 5.690 ( 4.038 0.000 1.889) 4.458 5.819 ( -2.049 0.000 -0.486) 2.106 5.819 ( 2.049 0.000 0.486) 2.106 5.939 ( -1.441 0.000 -0.506) 1.527 5.939 ( 1.441 0.000 0.506) 1.527 5.976 ( 1.287 0.000 -2.535) 2.843 5.976 ( -1.287 0.000 2.535) 2.843 6.037 ( -2.786 0.000 -3.187) 4.233 6.037 ( 2.786 0.000 3.187) 4.233 6.119 ( 1.132 0.000 -3.188) 3.383 6.119 ( -1.132 0.000 3.188) 3.383 6.152 ( -1.591 0.000 -0.866) 1.812 6.152 ( 1.591 0.000 0.866) 1.812 6.280 ( 3.557 0.000 -3.042) 4.681 6.280 ( -3.557 0.000 3.042) 4.681 6.346 ( -3.208 0.000 -4.291) 5.358 6.346 ( 3.208 0.000 4.291) 5.358 8.654 ( -0.631 0.000 -1.203) 1.358 8.654 ( 0.631 0.000 1.203) 1.358 9.751 ( -6.841 0.000 -4.029) 7.939 9.751 ( 6.841 0.000 4.029) 7.939 10.566 ( -0.476 0.000 -5.148) 5.170 10.566 ( 0.476 0.000 5.148) 5.170 10.666 ( -0.221 0.000 -2.449) 2.459 10.666 ( 0.221 0.000 2.449) 2.459 10.799 ( -7.376 0.000 -5.238) 9.047 10.799 ( 7.376 0.000 5.238) 9.047 10.948 ( 1.758 0.000 -2.641) 3.173 10.948 ( -1.758 0.000 2.641) 3.173 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 15.770 0.000 -11.234) 19.362 0.794 ( 16.195 0.000 -17.978) 24.197 1.121 ( 6.191 0.000 17.073) 18.161 1.273 ( 10.643 0.000 17.328) 20.335 1.372 ( 19.763 0.000 -29.110) 35.185 1.453 ( -5.417 0.000 11.365) 12.590 1.612 ( -1.443 0.000 1.471) 2.061 1.855 ( -4.899 0.000 -3.385) 5.955 1.995 ( 1.626 0.000 1.590) 2.274 2.042 ( -5.740 0.000 1.614) 5.963 2.150 ( 3.003 0.000 -7.851) 8.406 2.157 ( -1.975 0.000 2.463) 3.157 2.260 ( 2.243 0.000 -5.048) 5.524 2.334 ( -7.715 0.000 -6.338) 9.985 2.346 ( 5.874 0.000 3.694) 6.939 2.407 ( -6.536 0.000 -0.693) 6.573 2.509 ( -2.200 0.000 2.415) 3.267 2.526 ( 0.800 0.000 -0.534) 0.962 2.595 ( -4.151 0.000 1.841) 4.541 2.633 ( -1.367 0.000 3.527) 3.783 2.769 ( -5.053 0.000 3.625) 6.219 2.821 ( -0.886 0.000 -0.690) 1.123 2.846 ( 6.851 0.000 -1.636) 7.043 2.898 ( -3.520 0.000 -0.756) 3.600 2.991 ( 1.335 0.000 3.595) 3.835 3.024 ( -2.809 0.000 -1.031) 2.992 3.032 ( 2.441 0.000 0.430) 2.478 3.066 ( -0.149 0.000 -1.617) 1.624 3.101 ( 0.572 0.000 0.705) 0.908 3.147 ( 3.973 0.000 -2.855) 4.892 3.208 ( 1.105 0.000 7.177) 7.262 3.230 ( 4.749 0.000 -2.984) 5.609 3.384 ( 1.380 0.000 3.897) 4.135 3.408 ( 4.761 0.000 -5.444) 7.232 3.453 ( -0.110 0.000 6.237) 6.238 3.488 ( 2.934 0.000 1.743) 3.412 3.506 ( -1.440 0.000 -5.246) 5.440 3.588 ( -3.747 0.000 0.559) 3.788 3.636 ( -1.896 0.000 2.324) 2.999 3.652 ( 0.758 0.000 -2.137) 2.268 3.724 ( -4.416 0.000 0.778) 4.484 3.777 ( -2.390 0.000 0.266) 2.405 3.859 ( -0.066 0.000 0.306) 0.313 3.884 ( -1.405 0.000 0.553) 1.510 3.925 ( 2.679 0.000 -1.147) 2.914 3.933 ( 2.337 0.000 -1.775) 2.935 3.992 ( 1.209 0.000 0.523) 1.317 4.017 ( 2.440 0.000 2.527) 3.513 4.051 ( 5.012 0.000 -2.885) 5.783 4.087 ( 1.542 0.000 -6.201) 6.390 4.113 ( 2.626 0.000 4.138) 4.900 4.166 ( 1.198 0.000 7.522) 7.617 4.187 ( -0.998 0.000 -6.063) 6.145 4.256 ( -3.291 0.000 1.588) 3.654 4.335 ( -3.706 0.000 -0.840) 3.801 4.403 ( 0.280 0.000 -0.064) 0.287 4.443 ( 0.850 0.000 -0.918) 1.251 4.460 ( -0.352 0.000 4.469) 4.483 4.600 ( -2.361 0.000 0.320) 2.383 4.632 ( -3.685 0.000 -0.776) 3.766 4.720 ( 1.549 0.000 -2.413) 2.867 4.756 ( 2.491 0.000 0.868) 2.638 4.824 ( -3.485 0.000 2.335) 4.195 4.863 ( -0.325 0.000 -2.368) 2.391 4.916 ( 4.310 0.000 4.956) 6.568 4.940 ( -3.011 0.000 0.557) 3.062 4.988 ( 0.916 0.000 -4.166) 4.265 5.031 ( -2.960 0.000 2.362) 3.787 5.075 ( 1.379 0.000 -0.477) 1.459 5.089 ( -2.035 0.000 1.600) 2.588 5.091 ( -0.881 0.000 -1.383) 1.640 5.141 ( 1.624 0.000 2.517) 2.996 5.386 ( -3.922 0.000 -4.079) 5.659 5.431 ( -4.921 0.000 1.278) 5.084 5.495 ( -3.539 0.000 -1.305) 3.772 5.522 ( -4.909 0.000 -0.241) 4.915 5.545 ( -0.726 0.000 0.727) 1.027 5.649 ( 0.134 0.000 0.193) 0.235 5.718 ( 2.819 0.000 0.501) 2.863 5.765 ( 3.810 0.000 -0.709) 3.875 5.785 ( -0.317 0.000 -0.351) 0.473 5.842 ( 0.392 0.000 -1.156) 1.220 5.897 ( -0.867 0.000 -0.944) 1.282 5.913 ( -3.578 0.000 -0.630) 3.633 5.971 ( -2.202 0.000 0.218) 2.213 5.977 ( 3.037 0.000 -4.026) 5.043 5.998 ( 1.175 0.000 -2.101) 2.407 6.077 ( -1.551 0.000 -4.328) 4.597 6.077 ( -3.872 0.000 4.541) 5.968 6.113 ( -1.508 0.000 3.132) 3.476 6.157 ( 2.477 0.000 0.086) 2.478 6.184 ( 0.683 0.000 0.279) 0.738 6.241 ( -0.327 0.000 -1.275) 1.316 6.292 ( 0.744 0.000 2.494) 2.603 6.399 ( 7.953 0.000 -0.977) 8.013 6.450 ( 3.762 0.000 1.899) 4.214 8.637 ( -0.036 0.000 -0.600) 0.601 8.676 ( 0.365 0.000 0.871) 0.944 9.616 ( -5.431 0.000 -1.024) 5.527 9.883 ( -2.544 0.000 5.916) 6.440 10.410 ( -5.723 0.000 -6.568) 8.711 10.571 ( -4.086 0.000 4.894) 6.375 10.673 ( 2.952 0.000 -7.639) 8.189 10.709 ( 4.548 0.000 1.956) 4.951 10.735 ( 2.939 0.000 1.818) 3.456 10.926 ( 3.182 0.000 0.678) 3.254 10.982 ( 5.790 0.000 -3.176) 6.604 10.999 ( 4.135 0.000 2.531) 4.848 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 20.350 0.000 -4.654) 20.875 1.002 ( 21.687 0.000 -8.744) 23.383 1.372 ( 6.461 0.000 9.942) 11.858 1.414 ( -3.371 0.000 6.419) 7.250 1.531 ( 24.337 0.000 -14.219) 28.186 1.590 ( 7.947 0.000 1.926) 8.177 1.707 ( 2.889 0.000 9.723) 10.143 1.716 ( -9.023 0.000 1.111) 9.092 1.945 ( -6.593 0.000 1.592) 6.782 1.955 ( -1.072 0.000 -4.327) 4.458 2.064 ( -2.045 0.000 -10.163) 10.367 2.151 ( -1.598 0.000 -5.978) 6.188 2.172 ( -1.253 0.000 2.603) 2.889 2.290 ( 2.562 0.000 -0.629) 2.638 2.298 ( -2.625 0.000 -0.777) 2.737 2.361 ( -5.904 0.000 -1.880) 6.196 2.432 ( -5.337 0.000 -1.376) 5.512 2.568 ( 0.516 0.000 2.753) 2.801 2.582 ( -0.300 0.000 2.263) 2.283 2.672 ( 1.082 0.000 2.443) 2.671 2.795 ( 0.961 0.000 -1.094) 1.456 2.804 ( -1.934 0.000 5.359) 5.697 2.849 ( 0.495 0.000 -0.483) 0.691 2.900 ( 7.092 0.000 -5.016) 8.686 2.974 ( -0.838 0.000 0.130) 0.848 3.006 ( -4.115 0.000 2.687) 4.915 3.025 ( -0.077 0.000 -0.094) 0.121 3.076 ( -0.246 0.000 2.527) 2.539 3.146 ( 0.848 0.000 -0.213) 0.875 3.218 ( 4.006 0.000 0.290) 4.017 3.263 ( 4.062 0.000 -4.834) 6.314 3.322 ( 3.344 0.000 3.323) 4.715 3.409 ( -2.286 0.000 -2.825) 3.634 3.439 ( -0.308 0.000 4.268) 4.279 3.457 ( 3.441 0.000 -2.376) 4.182 3.498 ( 0.675 0.000 -1.284) 1.450 3.525 ( 0.856 0.000 -0.916) 1.254 3.564 ( -2.509 0.000 2.559) 3.584 3.609 ( -1.931 0.000 3.413) 3.921 3.643 ( -0.184 0.000 -1.219) 1.232 3.696 ( -0.047 0.000 0.413) 0.415 3.743 ( -2.893 0.000 1.360) 3.197 3.819 ( -2.432 0.000 -3.091) 3.933 3.859 ( -1.243 0.000 0.577) 1.370 3.928 ( -2.004 0.000 0.353) 2.035 3.979 ( 3.953 0.000 -0.296) 3.964 4.001 ( -0.124 0.000 0.242) 0.272 4.039 ( 0.572 0.000 -2.988) 3.042 4.081 ( 3.579 0.000 -3.226) 4.818 4.121 ( 3.807 0.000 -0.898) 3.912 4.182 ( -0.850 0.000 5.376) 5.443 4.185 ( 4.999 0.000 -1.824) 5.321 4.215 ( -1.439 0.000 1.964) 2.435 4.258 ( -3.509 0.000 2.287) 4.188 4.321 ( -0.240 0.000 8.389) 8.392 4.377 ( 0.625 0.000 -2.153) 2.242 4.417 ( -1.036 0.000 -1.935) 2.195 4.455 ( -3.539 0.000 -1.501) 3.844 4.570 ( -1.381 0.000 0.803) 1.597 4.591 ( 0.153 0.000 -0.172) 0.230 4.703 ( -0.509 0.000 -3.085) 3.127 4.780 ( -3.092 0.000 2.735) 4.128 4.825 ( 0.898 0.000 1.533) 1.777 4.877 ( 2.407 0.000 1.552) 2.864 4.907 ( -1.681 0.000 -5.754) 5.995 4.911 ( -4.620 0.000 10.336) 11.322 4.976 ( -0.043 0.000 -2.357) 2.357 5.028 ( 1.705 0.000 0.641) 1.821 5.061 ( -0.584 0.000 -1.622) 1.724 5.107 ( 0.275 0.000 7.308) 7.314 5.108 ( 0.489 0.000 -3.404) 3.438 5.167 ( -0.107 0.000 3.011) 3.013 5.286 ( -3.347 0.000 -2.187) 3.998 5.341 ( -5.625 0.000 1.004) 5.714 5.418 ( -4.422 0.000 -3.107) 5.404 5.421 ( -2.301 0.000 -3.619) 4.289 5.545 ( -0.984 0.000 0.112) 0.990 5.656 ( -1.464 0.000 -2.481) 2.880 5.678 ( -1.785 0.000 1.119) 2.107 5.789 ( -0.670 0.000 -2.943) 3.019 5.836 ( 1.511 0.000 1.185) 1.920 5.850 ( -2.232 0.000 0.422) 2.271 5.871 ( 4.757 0.000 1.232) 4.914 5.878 ( -2.190 0.000 0.758) 2.317 5.931 ( -1.978 0.000 -2.692) 3.340 5.947 ( 1.236 0.000 0.823) 1.484 6.015 ( 0.531 0.000 -4.282) 4.315 6.056 ( 5.803 0.000 -2.310) 6.245 6.058 ( -2.796 0.000 3.444) 4.436 6.122 ( -1.356 0.000 2.723) 3.042 6.194 ( 0.783 0.000 -0.890) 1.185 6.201 ( 1.346 0.000 0.744) 1.538 6.252 ( 1.092 0.000 0.160) 1.104 6.317 ( 0.488 0.000 -0.485) 0.688 6.512 ( 4.966 0.000 -0.200) 4.970 6.514 ( 2.430 0.000 0.254) 2.444 8.641 ( 0.678 0.000 0.106) 0.686 8.681 ( -0.142 0.000 -0.146) 0.204 9.539 ( -3.480 0.000 1.478) 3.781 9.759 ( -7.898 0.000 -3.745) 8.741 10.346 ( 1.472 0.000 -1.402) 2.033 10.538 ( -4.534 0.000 2.810) 5.334 10.682 ( 3.270 0.000 -2.803) 4.307 10.779 ( 1.451 0.000 -1.033) 1.781 10.829 ( 3.320 0.000 4.646) 5.711 10.972 ( 1.906 0.000 -0.724) 2.039 11.082 ( 7.207 0.000 -1.158) 7.299 11.092 ( 3.298 0.000 2.300) 4.021 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 13.178 0.000 -6.481) 14.685 1.259 ( 6.477 0.000 -3.668) 7.444 1.421 ( 0.423 0.000 -0.665) 0.788 1.525 ( -3.275 0.000 5.289) 6.221 1.542 ( 4.510 0.000 0.397) 4.527 1.674 ( -5.432 0.000 4.880) 7.302 1.803 ( 6.792 0.000 3.168) 7.495 1.813 ( -3.128 0.000 -0.602) 3.186 1.882 ( -3.540 0.000 -2.703) 4.454 1.949 ( -1.481 0.000 -7.144) 7.296 1.997 ( 13.558 0.000 7.645) 15.565 2.142 ( 5.531 0.000 -5.747) 7.976 2.165 ( -2.309 0.000 2.706) 3.557 2.217 ( -6.713 0.000 -2.296) 7.095 2.298 ( 0.929 0.000 0.434) 1.025 2.299 ( 0.005 0.000 1.656) 1.656 2.373 ( 3.216 0.000 -2.354) 3.986 2.513 ( -7.672 0.000 -1.902) 7.904 2.640 ( 2.175 0.000 2.115) 3.034 2.677 ( -1.908 0.000 1.055) 2.180 2.781 ( -0.082 0.000 0.337) 0.346 2.793 ( -0.278 0.000 -3.917) 3.927 2.884 ( 2.189 0.000 1.821) 2.847 2.922 ( -0.529 0.000 -1.365) 1.464 3.005 ( -0.080 0.000 4.483) 4.483 3.031 ( 0.207 0.000 1.317) 1.334 3.074 ( 4.248 0.000 3.140) 5.283 3.083 ( -0.630 0.000 1.147) 1.309 3.126 ( 1.037 0.000 -2.560) 2.762 3.212 ( -4.365 0.000 -1.378) 4.577 3.277 ( 3.336 0.000 -4.618) 5.697 3.313 ( -3.517 0.000 -1.138) 3.697 3.410 ( 4.276 0.000 -2.369) 4.888 3.454 ( -5.378 0.000 4.496) 7.010 3.476 ( 0.904 0.000 -1.528) 1.776 3.476 ( -0.651 0.000 0.749) 0.993 3.532 ( 1.853 0.000 -2.443) 3.066 3.538 ( 0.079 0.000 0.956) 0.960 3.604 ( -0.811 0.000 -0.283) 0.859 3.630 ( -1.722 0.000 0.467) 1.784 3.702 ( 1.150 0.000 -1.451) 1.851 3.709 ( -2.049 0.000 2.318) 3.094 3.764 ( 0.323 0.000 -0.865) 0.923 3.817 ( -3.435 0.000 -1.854) 3.904 3.950 ( 2.600 0.000 4.558) 5.247 3.993 ( -0.408 0.000 0.658) 0.775 4.029 ( 1.167 0.000 -1.545) 1.936 4.049 ( 2.395 0.000 -1.422) 2.786 4.132 ( 2.631 0.000 -2.176) 3.415 4.142 ( 1.155 0.000 1.825) 2.160 4.175 ( -3.901 0.000 -2.919) 4.872 4.186 ( -3.503 0.000 3.712) 5.103 4.233 ( 4.399 0.000 -1.021) 4.516 4.303 ( -2.733 0.000 0.758) 2.837 4.314 ( 1.405 0.000 3.084) 3.389 4.349 ( -1.636 0.000 -3.515) 3.877 4.422 ( 3.651 0.000 -1.142) 3.825 4.434 ( -0.429 0.000 4.131) 4.153 4.584 ( -1.288 0.000 4.987) 5.151 4.603 ( 1.495 0.000 -2.411) 2.837 4.672 ( 1.351 0.000 -1.755) 2.214 4.725 ( -5.511 0.000 2.148) 5.915 4.820 ( -1.198 0.000 -1.558) 1.965 4.821 ( -1.262 0.000 -3.015) 3.268 4.948 ( 0.953 0.000 3.987) 4.099 4.964 ( -0.899 0.000 5.016) 5.096 4.999 ( 1.327 0.000 2.320) 2.673 5.029 ( 0.257 0.000 -3.158) 3.168 5.054 ( 2.070 0.000 -1.621) 2.629 5.058 ( 0.640 0.000 -3.459) 3.518 5.185 ( -2.207 0.000 2.779) 3.548 5.197 ( -0.028 0.000 1.280) 1.280 5.221 ( -1.973 0.000 5.233) 5.592 5.290 ( -1.694 0.000 1.451) 2.230 5.315 ( -1.820 0.000 -4.404) 4.765 5.342 ( -0.765 0.000 -5.437) 5.490 5.537 ( 0.436 0.000 0.478) 0.647 5.576 ( -2.645 0.000 -1.787) 3.192 5.695 ( 0.320 0.000 1.542) 1.575 5.731 ( -1.530 0.000 -2.596) 3.014 5.818 ( -0.634 0.000 -0.344) 0.721 5.830 ( -0.973 0.000 -0.807) 1.264 5.882 ( -0.189 0.000 0.454) 0.491 5.887 ( -0.532 0.000 1.692) 1.774 5.989 ( 3.902 0.000 -0.098) 3.903 5.991 ( 1.089 0.000 0.897) 1.411 5.999 ( 3.091 0.000 -2.923) 4.254 6.042 ( -3.481 0.000 3.420) 4.880 6.120 ( 3.020 0.000 0.106) 3.022 6.134 ( -0.727 0.000 3.307) 3.386 6.181 ( -0.200 0.000 -2.327) 2.335 6.195 ( -1.665 0.000 -1.564) 2.285 6.283 ( 1.608 0.000 0.833) 1.811 6.310 ( -0.033 0.000 -1.259) 1.260 6.549 ( 1.347 0.000 0.309) 1.382 6.560 ( 1.151 0.000 -0.670) 1.332 8.657 ( 0.658 0.000 0.499) 0.826 8.672 ( -0.335 0.000 -0.639) 0.721 9.533 ( -0.113 0.000 3.538) 3.540 9.610 ( -3.969 0.000 -4.304) 5.854 10.391 ( 3.951 0.000 0.177) 3.955 10.471 ( -4.813 0.000 0.383) 4.828 10.720 ( 2.397 0.000 0.576) 2.465 10.766 ( -0.783 0.000 -2.041) 2.186 10.915 ( 1.700 0.000 3.646) 4.023 10.967 ( -0.221 0.000 -2.744) 2.753 11.159 ( 1.058 0.000 2.454) 2.672 11.165 ( 3.120 0.000 -1.433) 3.433 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.043 2.319 -16.689) 16.849 0.818 ( 0.043 2.319 16.689) 16.849 0.972 ( -7.451 11.311 -15.261) 20.405 0.972 ( 7.451 11.311 15.261) 20.405 1.579 ( 10.037 14.020 -22.620) 28.442 1.579 ( -10.037 14.020 22.620) 28.442 1.748 ( -8.564 -0.500 -8.639) 12.174 1.748 ( 8.564 -0.500 8.639) 12.174 1.964 ( -4.341 -5.445 -5.376) 8.797 1.964 ( 4.341 -5.445 5.376) 8.797 2.202 ( -3.721 2.799 -2.337) 5.210 2.202 ( 3.721 2.799 2.337) 5.210 2.268 ( 0.295 -4.268 -2.455) 4.933 2.268 ( -0.295 -4.268 2.455) 4.933 2.431 ( 2.894 1.253 -6.817) 7.511 2.431 ( -2.894 1.253 6.817) 7.511 2.468 ( -2.325 -4.425 -0.979) 5.093 2.468 ( 2.325 -4.425 0.979) 5.093 2.608 ( -6.083 -6.280 -1.319) 8.842 2.608 ( 6.083 -6.280 1.319) 8.842 2.734 ( -2.388 -0.677 -1.649) 2.980 2.734 ( 2.388 -0.677 1.649) 2.980 2.832 ( -2.814 -2.199 -3.736) 5.168 2.832 ( 2.814 -2.199 3.736) 5.168 2.969 ( -2.593 -3.359 -2.695) 5.026 2.969 ( 2.593 -3.359 2.695) 5.026 3.063 ( 1.394 0.647 -4.013) 4.297 3.063 ( -1.394 0.647 4.013) 4.297 3.129 ( 2.380 -0.872 -2.737) 3.730 3.129 ( -2.380 -0.872 2.737) 3.730 3.206 ( 1.490 1.847 -5.149) 5.670 3.206 ( -1.490 1.847 5.149) 5.670 3.349 ( 2.657 -4.489 -5.205) 7.369 3.349 ( -2.657 -4.489 5.205) 7.369 3.397 ( 0.193 -0.341 -5.000) 5.015 3.397 ( -0.193 -0.341 5.000) 5.015 3.546 ( 0.427 -3.986 -3.352) 5.226 3.546 ( -0.427 -3.986 3.352) 5.226 3.637 ( -2.008 -1.823 -0.835) 2.838 3.637 ( 2.008 -1.823 0.835) 2.838 3.784 ( -2.393 -0.253 -0.911) 2.574 3.784 ( 2.393 -0.253 0.911) 2.574 3.868 ( -1.684 -1.896 -1.459) 2.925 3.868 ( 1.684 -1.896 1.459) 2.925 3.903 ( -2.027 0.471 -0.241) 2.095 3.903 ( 2.027 0.471 0.241) 2.095 3.992 ( -0.690 3.803 -1.796) 4.262 3.992 ( 0.690 3.803 1.796) 4.262 4.056 ( 0.233 -0.516 -4.198) 4.236 4.056 ( -0.233 -0.516 4.198) 4.236 4.146 ( 0.905 2.507 -3.278) 4.225 4.146 ( -0.905 2.507 3.278) 4.225 4.251 ( 1.058 0.440 -4.718) 4.855 4.251 ( -1.058 0.440 4.718) 4.855 4.378 ( 0.398 -0.745 -2.101) 2.265 4.378 ( -0.398 -0.745 2.101) 2.265 4.499 ( -1.149 5.018 -0.716) 5.198 4.499 ( 1.149 5.018 0.716) 5.198 4.651 ( -2.809 -2.484 0.049) 3.750 4.651 ( 2.809 -2.484 -0.049) 3.750 4.739 ( -0.012 2.036 -1.639) 2.614 4.739 ( 0.012 2.036 1.639) 2.614 4.830 ( -0.854 -0.146 -3.604) 3.707 4.830 ( 0.854 -0.146 3.604) 3.707 4.885 ( -1.105 -1.635 -3.792) 4.275 4.885 ( 1.105 -1.635 3.792) 4.275 5.018 ( -1.915 0.816 -1.851) 2.786 5.018 ( 1.915 0.816 1.851) 2.786 5.099 ( 0.583 -0.150 -2.567) 2.637 5.099 ( -0.583 -0.150 2.567) 2.637 5.147 ( 3.682 3.181 -2.732) 5.580 5.147 ( -3.682 3.181 2.732) 5.580 5.455 ( -0.300 0.256 -2.190) 2.226 5.455 ( 0.300 0.256 2.190) 2.226 5.548 ( -2.257 0.036 -1.503) 2.712 5.548 ( 2.257 0.036 1.503) 2.712 5.638 ( -2.845 1.247 0.049) 3.107 5.638 ( 2.845 1.247 -0.049) 3.107 5.696 ( -5.186 0.054 0.250) 5.193 5.696 ( 5.186 0.054 -0.250) 5.193 5.820 ( 0.780 -0.273 -1.335) 1.570 5.820 ( -0.780 -0.273 1.335) 1.570 5.910 ( -1.085 -1.683 -1.230) 2.350 5.910 ( 1.085 -1.683 1.230) 2.350 5.961 ( 0.669 -1.626 -2.521) 3.074 5.961 ( -0.669 -1.626 2.521) 3.074 6.031 ( -1.577 -0.712 -1.447) 2.255 6.031 ( 1.577 -0.712 1.447) 2.255 6.125 ( 1.712 0.142 -2.011) 2.645 6.125 ( -1.712 0.142 2.011) 2.645 6.144 ( -1.933 0.098 0.368) 1.970 6.144 ( 1.933 0.098 -0.368) 1.970 6.301 ( 0.768 1.725 -3.506) 3.982 6.301 ( -0.768 1.725 3.506) 3.982 6.374 ( -2.517 2.274 -4.665) 5.768 6.374 ( 2.517 2.274 4.665) 5.768 8.641 ( -0.742 -1.188 -1.032) 1.739 8.641 ( 0.742 -1.188 1.032) 1.739 9.784 ( -5.043 3.148 -3.574) 6.936 9.784 ( 5.043 3.148 3.574) 6.936 10.565 ( -2.168 -0.170 -5.000) 5.453 10.565 ( 2.168 -0.170 5.000) 5.453 10.650 ( 0.905 -1.016 -2.951) 3.249 10.650 ( -0.905 -1.016 2.951) 3.249 10.807 ( -4.281 1.480 -5.821) 7.376 10.807 ( 4.281 1.480 5.821) 7.376 10.969 ( 0.973 1.507 -1.763) 2.516 10.969 ( -0.973 1.507 1.763) 2.516 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 10.512 12.729 -7.273) 18.040 0.845 ( 13.750 6.871 -15.609) 21.907 1.069 ( 5.089 -0.656 15.285) 16.123 1.330 ( 11.647 5.511 13.896) 18.950 1.543 ( 16.119 14.955 -24.890) 33.211 1.605 ( -4.618 4.663 4.874) 8.174 1.640 ( -1.323 8.437 5.583) 10.203 1.832 ( -3.513 -2.002 -3.021) 5.048 1.928 ( 1.209 -3.650 2.203) 4.432 2.069 ( 2.929 -2.275 3.371) 5.012 2.115 ( -2.572 2.741 -3.292) 4.997 2.206 ( -0.269 1.171 -5.554) 5.682 2.215 ( -4.985 -7.733 -1.435) 9.312 2.289 ( 1.607 -0.095 -1.540) 2.228 2.398 ( 2.222 1.410 -0.987) 2.811 2.411 ( -7.909 -2.710 -3.813) 9.189 2.428 ( -3.239 -6.549 5.701) 9.267 2.454 ( -0.957 -1.835 2.914) 3.574 2.558 ( -0.149 0.744 1.776) 1.932 2.657 ( 1.547 -4.608 -0.676) 4.907 2.730 ( -0.825 1.543 3.730) 4.120 2.778 ( -1.132 -3.709 -0.622) 3.927 2.846 ( 1.696 -2.008 2.739) 3.796 2.888 ( -1.247 -5.179 -1.933) 5.667 2.937 ( 2.588 -0.043 0.227) 2.599 2.987 ( -3.684 -0.481 -3.010) 4.781 3.015 ( 0.655 -4.103 3.350) 5.337 3.087 ( 2.635 -2.712 -1.600) 4.106 3.108 ( -0.873 0.575 -0.158) 1.057 3.128 ( 1.084 -1.603 -0.439) 1.984 3.191 ( 0.956 1.335 1.892) 2.505 3.258 ( 1.913 0.096 0.542) 1.990 3.355 ( -0.120 -4.336 1.061) 4.465 3.372 ( 2.653 -2.662 -0.501) 3.791 3.386 ( 3.855 -1.090 -4.540) 6.055 3.452 ( -0.149 -2.848 2.080) 3.530 3.516 ( -1.840 -2.131 0.961) 2.975 3.561 ( -0.531 -2.852 2.295) 3.699 3.608 ( -2.146 -1.788 3.134) 4.198 3.672 ( -0.001 0.275 2.919) 2.932 3.734 ( -0.687 1.510 -1.893) 2.518 3.814 ( 0.474 -2.320 -0.311) 2.388 3.826 ( -1.551 1.415 -1.801) 2.767 3.874 ( 1.014 -3.126 -0.162) 3.290 3.915 ( -0.456 0.279 0.700) 0.881 3.942 ( -0.598 -2.045 -2.347) 3.170 3.961 ( 2.026 2.510 1.013) 3.381 4.017 ( 0.691 0.381 0.398) 0.883 4.056 ( 2.561 0.430 -0.585) 2.662 4.102 ( 3.309 0.656 -0.981) 3.513 4.154 ( 0.229 2.049 -1.965) 2.848 4.175 ( 4.791 3.992 1.435) 6.399 4.239 ( 1.263 3.369 -0.294) 3.611 4.281 ( -1.413 0.149 3.243) 3.540 4.330 ( -2.565 -0.691 -2.181) 3.437 4.363 ( -2.843 -0.914 1.067) 3.172 4.463 ( -1.421 4.446 1.116) 4.800 4.493 ( -2.311 0.914 0.009) 2.486 4.597 ( -2.992 -0.729 0.442) 3.110 4.688 ( -2.075 3.642 -1.303) 4.390 4.739 ( 4.325 -3.171 0.607) 5.398 4.757 ( 0.933 1.747 -0.733) 2.111 4.809 ( -0.491 -0.655 -0.767) 1.122 4.836 ( -0.815 -0.079 -1.344) 1.574 4.898 ( 1.274 -2.138 1.222) 2.772 4.938 ( 0.912 -0.116 4.033) 4.136 4.962 ( -1.205 -0.032 -2.750) 3.002 5.031 ( -0.351 -1.332 -3.257) 3.536 5.067 ( -3.762 2.107 4.311) 6.097 5.111 ( -1.006 -1.332 0.347) 1.705 5.133 ( -1.150 2.989 4.329) 5.385 5.168 ( 1.265 3.900 -2.144) 4.627 5.377 ( -4.440 0.394 -0.878) 4.543 5.438 ( -5.618 -0.131 -0.704) 5.664 5.496 ( 0.517 -0.466 -0.011) 0.696 5.526 ( -4.343 0.993 -0.075) 4.455 5.582 ( -3.241 2.103 -0.679) 3.922 5.630 ( -1.160 -1.050 -0.149) 1.572 5.720 ( 3.410 -0.553 1.501) 3.767 5.755 ( -3.092 -2.323 -0.101) 3.868 5.780 ( 3.152 2.078 -1.054) 3.920 5.832 ( -1.521 -1.009 -0.300) 1.849 5.898 ( 1.085 0.279 0.272) 1.153 5.929 ( -0.649 -1.215 0.137) 1.385 5.954 ( 2.441 -0.268 -4.108) 4.786 5.971 ( 0.165 -0.279 -1.165) 1.209 5.995 ( 0.528 0.825 -1.737) 1.994 6.076 ( -1.624 0.646 -2.899) 3.385 6.090 ( 1.635 -1.570 2.151) 3.125 6.105 ( -3.566 0.440 3.104) 4.748 6.153 ( 1.255 -0.160 0.522) 1.369 6.175 ( 1.220 0.007 -0.075) 1.222 6.246 ( -0.852 0.439 -2.138) 2.343 6.316 ( 1.958 1.506 -0.340) 2.494 6.410 ( 5.367 1.267 1.367) 5.682 6.474 ( 3.031 1.893 2.243) 4.219 8.622 ( -0.274 -1.310 -0.494) 1.427 8.664 ( 0.479 -1.275 0.662) 1.514 9.660 ( -5.707 4.163 -0.786) 7.108 9.868 ( -2.779 -0.771 3.253) 4.347 10.426 ( -3.475 1.934 -5.331) 6.651 10.595 ( -1.613 1.832 3.241) 4.057 10.672 ( 3.682 -0.918 -4.417) 5.823 10.701 ( -0.005 0.827 0.902) 1.224 10.732 ( 4.006 -0.091 0.446) 4.031 10.936 ( 4.401 0.378 1.142) 4.562 10.979 ( 3.055 0.822 -1.035) 3.328 11.017 ( 3.811 0.802 0.965) 4.012 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 19.703 4.460 -2.954) 20.416 1.006 ( 15.702 4.928 -9.194) 18.851 1.292 ( 6.385 -1.485 7.662) 10.084 1.569 ( -3.802 8.132 5.421) 10.487 1.616 ( 6.240 3.432 5.856) 9.220 1.668 ( 4.306 4.008 -6.470) 8.745 1.695 ( 9.548 5.296 -2.828) 11.279 1.756 ( 2.954 4.481 0.840) 5.432 1.934 ( -1.119 -0.718 2.335) 2.687 1.992 ( -5.712 2.695 -1.757) 6.556 2.102 ( -2.545 2.134 -6.115) 6.959 2.136 ( 2.161 0.208 -5.297) 5.724 2.188 ( 1.115 0.886 0.350) 1.467 2.235 ( -3.857 -4.477 -2.505) 6.418 2.300 ( 0.238 -0.245 -0.057) 0.347 2.363 ( -5.128 -2.456 2.391) 6.168 2.410 ( -2.216 0.449 -1.968) 2.998 2.512 ( 2.304 -4.423 2.256) 5.474 2.567 ( -0.926 -1.133 0.791) 1.663 2.671 ( 0.418 -2.795 0.947) 2.981 2.744 ( 0.974 -2.723 1.216) 3.137 2.786 ( -3.137 -1.830 0.122) 3.634 2.824 ( 2.008 -2.229 2.222) 3.733 2.893 ( -1.435 -4.718 -1.052) 5.043 2.916 ( 2.073 0.251 -3.568) 4.134 2.968 ( 0.329 -3.223 -0.446) 3.270 3.033 ( 0.332 -1.161 -1.102) 1.635 3.093 ( -0.765 -2.149 0.725) 2.394 3.109 ( 0.191 -4.534 2.410) 5.138 3.213 ( 5.667 -3.092 -0.087) 6.456 3.219 ( -1.363 1.129 0.669) 1.892 3.263 ( 1.289 -3.221 -1.954) 3.982 3.356 ( 0.020 -2.568 0.417) 2.602 3.389 ( 0.590 -3.180 -0.450) 3.266 3.442 ( 4.443 -2.384 -0.569) 5.074 3.458 ( -0.920 -3.806 1.465) 4.181 3.536 ( -1.118 -1.731 3.401) 3.977 3.560 ( -1.593 1.128 0.351) 1.983 3.626 ( -0.375 1.064 4.438) 4.579 3.667 ( -3.075 2.316 -0.952) 3.966 3.717 ( 0.967 2.234 -2.641) 3.592 3.795 ( -1.673 2.350 0.560) 2.939 3.819 ( 0.779 -1.976 2.069) 2.966 3.869 ( -1.779 -1.238 -0.681) 2.272 3.897 ( -0.145 1.292 0.650) 1.454 3.940 ( 2.261 -4.204 -1.186) 4.919 4.012 ( 0.775 -0.811 1.276) 1.699 4.029 ( 2.170 0.686 -1.199) 2.572 4.071 ( 0.342 2.486 -2.875) 3.816 4.145 ( 4.016 -0.842 -3.068) 5.124 4.167 ( 2.943 1.091 0.917) 3.270 4.214 ( -3.449 -1.089 0.002) 3.617 4.258 ( -2.984 1.903 4.106) 5.421 4.267 ( 1.647 3.429 0.331) 3.818 4.334 ( -0.475 0.868 0.947) 1.369 4.354 ( 1.741 -1.109 1.880) 2.792 4.416 ( -2.114 2.726 -2.668) 4.361 4.475 ( -2.182 0.719 3.458) 4.152 4.570 ( 0.279 -0.124 0.996) 1.042 4.631 ( -2.279 2.917 -2.396) 4.410 4.713 ( -2.299 -0.055 -3.411) 4.113 4.776 ( -1.540 -0.216 1.986) 2.523 4.817 ( 0.452 -1.039 1.662) 2.011 4.851 ( 1.362 -0.037 1.835) 2.285 4.867 ( -2.559 -3.562 -2.535) 5.066 4.942 ( 4.081 0.257 -1.765) 4.454 4.994 ( 0.122 0.072 -1.925) 1.930 5.013 ( -1.816 2.744 5.149) 6.110 5.064 ( -2.333 0.139 0.674) 2.432 5.091 ( 0.238 -1.078 5.434) 5.545 5.125 ( -1.012 1.433 -3.066) 3.532 5.183 ( -0.384 1.092 3.919) 4.087 5.291 ( -4.849 0.055 -0.029) 4.849 5.358 ( -3.578 2.758 -0.511) 4.546 5.433 ( -3.438 1.738 -3.052) 4.915 5.466 ( -2.893 -0.282 -3.049) 4.213 5.539 ( -1.211 2.094 0.782) 2.542 5.608 ( 0.095 -4.051 -1.013) 4.177 5.697 ( -4.299 1.140 0.027) 4.448 5.761 ( -1.369 -2.602 1.129) 3.150 5.801 ( -0.661 -1.464 0.829) 1.808 5.831 ( 4.014 -1.061 -1.965) 4.593 5.882 ( -2.606 0.180 -1.488) 3.006 5.914 ( -0.700 1.145 -2.072) 2.469 5.931 ( 0.110 0.946 0.675) 1.168 5.951 ( 1.624 0.390 0.344) 1.705 6.023 ( 0.568 0.772 -3.036) 3.183 6.062 ( 3.945 0.414 -1.851) 4.377 6.086 ( -1.389 1.808 2.321) 3.254 6.114 ( -0.679 -0.641 2.556) 2.721 6.199 ( 1.621 -0.510 0.850) 1.900 6.211 ( 2.525 2.261 0.572) 3.437 6.239 ( 0.725 -1.011 -0.560) 1.364 6.340 ( 1.085 2.016 -0.721) 2.400 6.509 ( 4.189 -0.241 0.311) 4.208 6.525 ( 1.770 0.989 0.037) 2.028 8.623 ( 0.515 -1.619 0.123) 1.704 8.668 ( -0.230 -1.421 -0.197) 1.453 9.577 ( -3.743 3.635 1.149) 5.343 9.760 ( -7.089 0.282 -2.384) 7.484 10.384 ( 1.715 3.760 -1.276) 4.325 10.580 ( -3.639 3.742 1.895) 5.553 10.676 ( 2.490 -0.255 -2.456) 3.507 10.740 ( 1.809 -2.350 0.039) 2.966 10.831 ( 3.386 -0.799 3.475) 4.917 10.980 ( 1.568 0.624 -1.316) 2.140 11.058 ( 5.797 -1.157 -0.642) 5.946 11.099 ( 3.539 -0.332 1.299) 3.785 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 11.461 3.408 -5.277) 13.070 1.258 ( 7.473 1.242 -1.337) 7.693 1.412 ( 2.291 0.350 -0.818) 2.458 1.553 ( -5.450 2.282 2.960) 6.609 1.562 ( 3.869 2.084 0.766) 4.461 1.723 ( -6.791 3.689 1.416) 7.856 1.785 ( 0.845 0.503 5.793) 5.876 1.876 ( 4.503 4.440 -0.281) 6.330 1.882 ( -3.243 0.211 -3.614) 4.861 1.979 ( -1.292 2.929 -5.868) 6.685 2.029 ( 5.456 2.404 7.058) 9.239 2.170 ( 4.422 3.008 -2.444) 5.880 2.177 ( -1.321 -0.797 -4.406) 4.669 2.225 ( -2.071 3.270 2.599) 4.662 2.270 ( -0.342 -2.696 0.570) 2.777 2.294 ( -1.480 -1.217 -1.380) 2.362 2.423 ( 6.344 4.924 -1.107) 8.107 2.520 ( -3.532 -0.894 -0.784) 3.727 2.607 ( 3.265 -2.623 3.958) 5.762 2.676 ( -0.912 -1.303 -1.229) 2.010 2.737 ( -0.940 -3.904 -0.548) 4.053 2.781 ( -2.791 -4.237 -2.745) 5.769 2.808 ( 2.733 -4.181 0.581) 5.029 2.857 ( -1.706 -3.933 -1.433) 4.520 2.962 ( 1.722 -6.125 4.216) 7.633 2.981 ( 1.063 -3.729 1.888) 4.312 3.066 ( 0.482 -1.534 -1.388) 2.124 3.073 ( -0.264 -2.644 -0.591) 2.722 3.130 ( 0.417 -0.750 1.952) 2.132 3.173 ( -1.431 -2.287 -1.559) 3.116 3.264 ( 2.847 -2.270 -0.938) 3.760 3.313 ( 1.013 -0.071 2.013) 2.254 3.345 ( -2.093 -1.748 -2.949) 4.017 3.371 ( -1.558 -3.355 -1.339) 3.935 3.452 ( 0.435 -2.893 0.329) 2.944 3.489 ( 0.672 -4.841 -0.148) 4.890 3.501 ( -0.959 -0.595 -0.405) 1.199 3.525 ( -3.733 1.029 1.046) 4.011 3.610 ( -0.222 0.197 0.899) 0.947 3.645 ( -1.537 1.146 -1.083) 2.202 3.713 ( 1.721 1.100 -0.202) 2.052 3.756 ( -2.804 1.022 -0.094) 2.986 3.822 ( 1.228 4.605 -1.780) 5.087 3.852 ( -2.636 3.465 1.227) 4.524 3.954 ( 3.463 0.666 2.909) 4.571 3.985 ( 2.483 -2.243 0.933) 3.474 4.010 ( -0.306 -0.932 -0.087) 0.985 4.042 ( -0.613 -0.149 -1.899) 2.002 4.100 ( 4.358 -0.727 0.762) 4.483 4.159 ( -0.894 -1.275 1.265) 2.006 4.169 ( -0.169 0.218 -1.501) 1.526 4.214 ( -0.063 1.646 -2.726) 3.184 4.236 ( -2.180 -1.960 0.515) 2.977 4.267 ( -3.700 2.821 1.110) 4.784 4.332 ( 3.420 -0.164 0.769) 3.509 4.377 ( 1.565 1.995 -0.872) 2.681 4.413 ( 0.083 0.194 4.409) 4.414 4.478 ( -0.408 2.468 -1.973) 3.186 4.589 ( -0.556 0.014 0.645) 0.852 4.598 ( -0.101 -0.014 0.605) 0.614 4.667 ( 1.072 -0.706 -0.632) 1.430 4.733 ( -4.529 0.169 -0.326) 4.544 4.814 ( -1.481 -0.142 0.906) 1.742 4.819 ( 0.155 -0.798 -1.892) 2.059 4.904 ( 0.029 -0.216 5.233) 5.238 4.956 ( -0.094 -0.995 -3.884) 4.011 5.016 ( 4.123 -1.679 -1.721) 4.773 5.039 ( -0.570 1.116 2.895) 3.154 5.058 ( -0.024 1.896 1.889) 2.677 5.071 ( 0.953 1.878 -2.902) 3.585 5.168 ( 0.103 -1.785 2.424) 3.012 5.208 ( -3.729 0.508 -0.140) 3.766 5.230 ( -0.721 -0.308 7.896) 7.935 5.306 ( -0.004 2.814 -0.578) 2.873 5.331 ( -2.482 0.581 -5.820) 6.354 5.369 ( -3.198 2.621 -3.711) 5.556 5.549 ( 0.354 1.341 2.205) 2.605 5.596 ( -1.603 1.223 -2.574) 3.269 5.651 ( 1.393 -3.536 0.994) 3.928 5.712 ( -3.406 -1.926 -1.035) 4.048 5.803 ( 0.759 -0.688 -0.399) 1.100 5.829 ( -2.004 -0.549 -0.597) 2.162 5.873 ( 1.605 -0.318 1.028) 1.932 5.903 ( -0.912 1.002 0.086) 1.358 5.959 ( 2.809 -1.323 -0.925) 3.240 5.979 ( 0.302 -1.165 0.271) 1.233 6.024 ( 1.550 0.817 -0.386) 1.794 6.053 ( -2.040 0.320 0.456) 2.114 6.122 ( 1.432 0.430 2.288) 2.733 6.147 ( 1.143 1.245 1.888) 2.534 6.196 ( -0.899 0.683 -2.315) 2.576 6.208 ( -1.107 1.529 -1.125) 2.198 6.295 ( 2.861 1.792 1.873) 3.861 6.340 ( -0.048 2.768 -1.496) 3.147 6.547 ( 1.005 -0.300 0.106) 1.055 6.555 ( 1.032 -0.512 -0.570) 1.286 8.638 ( 0.732 -1.770 0.473) 1.973 8.656 ( -0.544 -1.631 -0.599) 1.820 9.562 ( -0.155 2.744 2.702) 3.854 9.628 ( -4.023 1.774 -3.146) 5.406 10.433 ( 3.908 4.147 0.517) 5.722 10.515 ( -4.460 4.193 -0.285) 6.128 10.707 ( 2.043 -1.096 0.434) 2.359 10.743 ( -0.495 -1.919 -1.332) 2.387 10.913 ( 1.757 -0.450 3.601) 4.032 10.968 ( -0.337 -0.029 -2.949) 2.968 11.137 ( 2.707 -1.828 0.507) 3.306 11.152 ( 1.226 -1.467 0.102) 1.915 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.740 10.650 -7.361) 13.063 0.953 ( -1.740 10.650 7.361) 13.063 1.223 ( -4.951 13.109 -7.265) 15.784 1.223 ( 4.951 13.109 7.265) 15.784 1.653 ( -2.247 -3.054 -6.147) 7.222 1.653 ( 2.247 -3.054 6.147) 7.222 1.808 ( 1.076 -0.902 -4.525) 4.738 1.808 ( -1.076 -0.902 4.525) 4.738 2.006 ( 4.575 11.366 -8.444) 14.880 2.006 ( -4.575 11.366 8.444) 14.880 2.101 ( 0.953 -9.031 -1.629) 9.226 2.101 ( -0.953 -9.031 1.629) 9.226 2.242 ( 2.948 -0.575 -2.764) 4.082 2.242 ( -2.948 -0.575 2.764) 4.082 2.392 ( -2.033 -1.249 -4.934) 5.480 2.392 ( 2.033 -1.249 4.934) 5.480 2.464 ( -0.164 -0.555 -3.825) 3.869 2.464 ( 0.164 -0.555 3.825) 3.869 2.554 ( -1.792 2.201 -0.923) 2.984 2.554 ( 1.792 2.201 0.923) 2.984 2.720 ( -4.266 -1.880 -0.509) 4.689 2.720 ( 4.266 -1.880 0.509) 4.689 2.766 ( 1.068 -1.796 -4.723) 5.165 2.766 ( -1.068 -1.796 4.723) 5.165 2.889 ( 1.712 -5.389 -1.252) 5.792 2.889 ( -1.712 -5.389 1.252) 5.792 3.056 ( 0.253 -1.580 -4.379) 4.662 3.056 ( -0.253 -1.580 4.379) 4.662 3.120 ( 4.786 -0.327 -2.264) 5.305 3.120 ( -4.786 -0.327 2.264) 5.305 3.189 ( 2.811 -3.265 -6.095) 7.464 3.189 ( -2.811 -3.265 6.095) 7.464 3.284 ( 1.307 -0.958 -4.996) 5.252 3.284 ( -1.307 -0.958 4.996) 5.252 3.376 ( 2.639 -2.489 -4.571) 5.836 3.376 ( -2.639 -2.489 4.571) 5.836 3.467 ( 2.983 -2.943 -6.542) 7.769 3.467 ( -2.983 -2.943 6.542) 7.769 3.598 ( -1.537 -1.798 -1.786) 2.964 3.598 ( 1.537 -1.798 1.786) 2.964 3.752 ( -0.646 -4.195 -0.655) 4.295 3.752 ( 0.646 -4.195 0.655) 4.295 3.828 ( 0.394 -0.659 -0.765) 1.084 3.828 ( -0.394 -0.659 0.765) 1.084 3.926 ( -3.338 1.715 -1.481) 4.035 3.926 ( 3.338 1.715 1.481) 4.035 4.030 ( -0.170 -0.844 -0.850) 1.210 4.030 ( 0.170 -0.844 0.850) 1.210 4.106 ( 0.523 5.031 -3.567) 6.189 4.106 ( -0.523 5.031 3.567) 6.189 4.164 ( -0.427 -0.651 -3.305) 3.396 4.164 ( 0.427 -0.651 3.305) 3.396 4.293 ( 1.352 3.078 -2.990) 4.499 4.293 ( -1.352 3.078 2.990) 4.499 4.373 ( -1.059 0.511 -0.259) 1.204 4.373 ( 1.059 0.511 0.259) 1.204 4.541 ( -1.618 -1.491 -1.315) 2.563 4.541 ( 1.618 -1.491 1.315) 2.563 4.599 ( 1.516 -0.977 -1.217) 2.176 4.599 ( -1.516 -0.977 1.217) 2.176 4.761 ( 0.364 0.041 -1.504) 1.548 4.761 ( -0.364 0.041 1.504) 1.548 4.842 ( -0.135 0.524 -2.483) 2.541 4.842 ( 0.135 0.524 2.483) 2.541 4.898 ( 0.422 2.118 -1.687) 2.741 4.898 ( -0.422 2.118 1.687) 2.741 5.015 ( 0.683 0.462 -1.178) 1.438 5.015 ( -0.683 0.462 1.178) 1.438 5.106 ( -1.259 0.576 -1.114) 1.777 5.106 ( 1.259 0.576 1.114) 1.777 5.192 ( 3.462 1.039 -3.584) 5.090 5.192 ( -3.462 1.039 3.584) 5.090 5.470 ( 0.776 0.574 -1.783) 2.028 5.470 ( -0.776 0.574 1.783) 2.028 5.563 ( -1.155 1.942 -3.579) 4.233 5.563 ( 1.155 1.942 3.579) 4.233 5.650 ( -1.432 -0.360 -1.189) 1.896 5.650 ( 1.432 -0.360 1.189) 1.896 5.707 ( -5.172 1.172 0.083) 5.304 5.707 ( 5.172 1.172 -0.083) 5.304 5.801 ( -0.768 -0.659 -1.922) 2.172 5.801 ( 0.768 -0.659 1.922) 2.172 5.886 ( 2.081 -2.162 -1.723) 3.460 5.886 ( -2.081 -2.162 1.723) 3.460 5.933 ( -0.069 -0.425 -2.861) 2.893 5.933 ( 0.069 -0.425 2.861) 2.893 6.015 ( -1.190 -0.640 -1.613) 2.104 6.015 ( 1.190 -0.640 1.613) 2.104 6.112 ( 0.503 -1.287 -2.452) 2.815 6.112 ( -0.503 -1.287 2.452) 2.815 6.165 ( -2.144 1.523 -0.566) 2.690 6.165 ( 2.144 1.523 0.566) 2.690 6.336 ( -1.242 1.725 -3.522) 4.113 6.336 ( 1.242 1.725 3.522) 4.113 6.414 ( -2.213 1.661 -4.001) 4.865 6.414 ( 2.213 1.661 4.001) 4.865 8.615 ( -0.721 -1.356 -0.652) 1.669 8.615 ( 0.721 -1.356 0.652) 1.669 9.852 ( -2.191 3.414 -2.371) 4.699 9.852 ( 2.191 3.414 2.371) 4.699 10.561 ( -3.077 -0.047 -3.311) 4.520 10.561 ( 3.077 -0.047 3.311) 4.520 10.647 ( 1.949 0.522 -2.593) 3.286 10.647 ( -1.949 0.522 2.593) 3.286 10.852 ( -1.887 2.711 -4.496) 5.579 10.852 ( 1.887 2.711 4.496) 5.579 10.993 ( 0.145 0.967 -0.786) 1.255 10.993 ( -0.145 0.967 0.786) 1.255 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 7.610 12.732 0.519) 14.842 1.063 ( 8.246 13.423 -5.595) 16.717 1.183 ( 4.503 12.647 2.628) 13.679 1.441 ( 10.110 4.558 6.482) 12.845 1.620 ( 1.185 -0.107 2.398) 2.677 1.730 ( -0.843 -1.372 1.812) 2.424 1.791 ( 7.084 2.936 -8.512) 11.457 1.856 ( 1.783 0.277 2.983) 3.487 1.923 ( -4.525 7.975 -4.689) 10.298 2.018 ( 4.106 -2.710 -0.898) 5.001 2.071 ( 0.631 -4.056 -2.397) 4.753 2.146 ( 3.937 -6.657 -3.263) 8.394 2.181 ( -4.211 2.927 -1.219) 5.271 2.256 ( -6.242 -5.712 -2.061) 8.709 2.275 ( -0.072 -1.686 -0.978) 1.951 2.387 ( -4.854 2.555 4.417) 7.043 2.435 ( -3.066 -0.090 1.736) 3.524 2.480 ( 1.749 0.695 -0.600) 1.975 2.566 ( 0.130 1.602 2.498) 2.971 2.641 ( 2.303 3.130 -0.919) 3.994 2.687 ( 1.290 -3.866 -0.875) 4.169 2.751 ( -0.360 0.144 0.093) 0.398 2.787 ( -3.324 -5.323 -0.977) 6.351 2.814 ( 2.404 -1.208 4.814) 5.515 2.885 ( 0.496 -6.216 -1.009) 6.317 2.899 ( 1.628 -3.702 2.926) 4.991 3.001 ( -5.943 -0.689 -1.446) 6.155 3.020 ( 1.871 -2.855 -5.606) 6.564 3.101 ( 0.438 -0.210 3.061) 3.099 3.120 ( -2.335 0.266 -0.295) 2.368 3.181 ( 1.725 -4.295 -1.452) 4.851 3.222 ( 0.312 0.552 4.105) 4.154 3.293 ( 3.515 -4.226 -1.636) 5.735 3.336 ( 3.558 0.201 -1.203) 3.762 3.373 ( 0.515 -2.261 -3.241) 3.985 3.399 ( -1.153 -1.576 4.643) 5.037 3.464 ( 1.815 -3.551 -0.233) 3.995 3.487 ( -0.412 -3.351 3.546) 4.896 3.586 ( -0.075 -0.400 2.949) 2.977 3.674 ( 3.749 -1.046 2.003) 4.377 3.718 ( -2.973 -2.952 1.916) 4.607 3.751 ( -2.044 -1.461 -0.996) 2.703 3.796 ( 0.134 -4.353 0.511) 4.385 3.850 ( 2.838 -1.238 -1.387) 3.392 3.887 ( 0.040 0.752 -1.339) 1.537 3.945 ( -1.627 0.243 -3.322) 3.707 3.999 ( -1.568 0.798 -0.259) 1.778 4.049 ( 1.571 -0.160 -0.298) 1.607 4.084 ( 0.886 -1.808 -2.030) 2.859 4.108 ( 0.447 4.362 1.266) 4.563 4.192 ( 1.989 2.559 -1.266) 3.480 4.214 ( 2.748 -0.840 1.369) 3.183 4.297 ( 0.782 2.594 -1.846) 3.278 4.300 ( -0.207 2.633 1.490) 3.032 4.349 ( -0.957 2.745 0.533) 2.955 4.380 ( -2.091 2.155 2.203) 3.724 4.497 ( -2.832 -0.267 0.966) 3.004 4.553 ( -2.993 2.201 2.771) 4.635 4.575 ( -0.906 -0.448 -0.545) 1.149 4.627 ( 2.839 -5.063 -0.552) 5.830 4.736 ( -1.278 0.891 -2.789) 3.194 4.784 ( 1.793 -0.285 -0.822) 1.992 4.811 ( 0.748 0.410 -1.853) 2.040 4.831 ( -0.655 -0.925 0.004) 1.133 4.885 ( -1.529 1.628 -1.255) 2.562 4.962 ( 1.294 -0.270 3.401) 3.649 4.966 ( -0.750 1.242 -2.307) 2.725 5.029 ( 1.671 2.396 -1.168) 3.146 5.078 ( -1.704 -0.641 0.657) 1.936 5.112 ( -3.736 1.834 3.735) 5.592 5.193 ( -1.484 2.146 4.493) 5.196 5.210 ( 0.359 0.189 -1.386) 1.444 5.403 ( -5.169 1.310 -0.620) 5.369 5.435 ( -3.581 -0.961 -1.106) 3.869 5.485 ( -2.035 1.158 -2.802) 3.652 5.554 ( -4.923 0.577 0.164) 4.959 5.577 ( -2.289 1.008 0.003) 2.501 5.647 ( -3.124 -1.044 0.829) 3.396 5.686 ( -0.141 -0.817 1.877) 2.052 5.740 ( 0.163 1.102 -0.190) 1.130 5.793 ( -2.829 -2.827 0.046) 4.000 5.835 ( 3.434 2.597 0.742) 4.369 5.897 ( 0.041 0.097 0.262) 0.282 5.908 ( 2.110 -0.897 -2.908) 3.703 5.937 ( 2.768 -1.019 -1.395) 3.263 5.978 ( -0.014 0.447 0.017) 0.448 6.007 ( 4.629 -0.480 0.123) 4.656 6.042 ( -0.338 -1.312 0.488) 1.440 6.091 ( -1.451 -1.457 0.411) 2.097 6.123 ( 0.240 1.699 -1.230) 2.112 6.143 ( -0.166 0.010 0.411) 0.443 6.198 ( 1.690 1.686 -0.242) 2.400 6.257 ( -0.718 0.825 -3.880) 4.032 6.332 ( 3.070 0.125 -2.794) 4.153 6.446 ( 1.876 2.307 3.966) 4.957 6.506 ( 2.222 1.221 2.767) 3.753 8.596 ( -0.594 -1.177 -0.359) 1.366 8.631 ( 0.342 -1.905 0.263) 1.953 9.754 ( -5.896 5.089 -0.299) 7.795 9.868 ( -3.723 0.579 1.332) 3.996 10.483 ( -0.784 3.618 -3.180) 4.880 10.618 ( 0.909 0.182 -0.021) 0.927 10.651 ( 2.603 -0.937 -1.188) 3.011 10.693 ( 4.253 -0.875 -0.088) 4.343 10.787 ( -2.098 4.786 -0.072) 5.226 10.945 ( 2.956 0.510 2.748) 4.068 11.001 ( 2.027 1.070 -1.048) 2.520 11.023 ( 2.340 -0.065 0.791) 2.471 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 10.048 13.678 -4.412) 17.536 1.163 ( 10.363 9.919 -1.482) 14.421 1.342 ( 9.024 6.105 2.530) 11.185 1.607 ( -1.030 -1.344 0.211) 1.707 1.681 ( 1.485 1.602 0.777) 2.319 1.749 ( -0.922 7.164 8.607) 11.236 1.812 ( -1.407 0.510 1.602) 2.192 1.858 ( 6.396 3.187 -6.790) 9.857 1.917 ( 2.725 0.438 -0.062) 2.761 2.042 ( -3.214 1.361 1.125) 3.667 2.092 ( 5.528 -0.950 -3.063) 6.391 2.132 ( 4.342 -3.702 -4.871) 7.502 2.171 ( 3.641 0.813 -1.689) 4.095 2.220 ( -2.086 -2.623 1.534) 3.685 2.273 ( -0.410 0.173 0.189) 0.483 2.327 ( 0.172 -0.922 1.904) 2.122 2.393 ( -6.090 -0.605 -0.921) 6.189 2.487 ( 4.427 1.636 -1.137) 4.854 2.582 ( -1.000 3.344 -2.009) 4.027 2.596 ( -1.132 -2.276 -0.159) 2.547 2.677 ( -4.605 -5.391 -2.577) 7.544 2.713 ( -0.679 -3.789 -0.234) 3.856 2.779 ( 0.462 -3.866 5.223) 6.514 2.827 ( -4.555 -2.402 -1.094) 5.264 2.851 ( -0.528 -7.693 -0.848) 7.758 2.934 ( -0.781 0.074 -1.235) 1.463 2.964 ( 1.413 -1.845 -2.112) 3.140 3.001 ( 3.340 -2.663 -2.607) 5.004 3.083 ( -0.995 -2.511 -0.253) 2.713 3.124 ( -1.221 -6.069 0.726) 6.233 3.229 ( 1.131 2.996 3.292) 4.592 3.273 ( 1.674 -0.680 1.909) 2.628 3.306 ( 1.138 -0.553 -1.801) 2.201 3.354 ( 1.651 -1.915 -1.279) 2.834 3.385 ( -0.770 -2.764 1.568) 3.270 3.404 ( 0.825 -1.475 -0.204) 1.702 3.509 ( 1.558 -1.240 0.996) 2.227 3.551 ( -0.152 -2.127 4.723) 5.182 3.641 ( -0.165 -1.144 2.674) 2.913 3.666 ( -1.069 -1.552 0.907) 2.092 3.738 ( 2.190 -0.140 -3.012) 3.727 3.769 ( 0.232 0.244 5.537) 5.547 3.829 ( 1.173 -2.031 1.450) 2.757 3.840 ( 0.291 0.829 -0.695) 1.120 3.883 ( -0.298 -2.157 -0.293) 2.197 3.912 ( 1.960 -0.916 -1.269) 2.509 3.988 ( 0.401 -0.689 0.147) 0.811 4.051 ( 0.631 1.040 -1.637) 2.040 4.092 ( 2.110 -3.294 -1.746) 4.284 4.139 ( 0.529 2.796 0.629) 2.914 4.182 ( 1.117 2.662 -2.107) 3.574 4.230 ( -1.355 -2.116 -0.610) 2.586 4.266 ( -1.961 2.771 -1.118) 3.575 4.326 ( 1.435 1.278 -1.042) 2.186 4.357 ( -0.956 2.502 1.156) 2.917 4.377 ( -0.300 3.090 3.571) 4.731 4.474 ( -1.196 1.237 2.189) 2.785 4.508 ( -4.299 3.732 -0.445) 5.710 4.562 ( 0.141 -0.614 1.769) 1.878 4.661 ( -0.253 -5.081 -0.261) 5.094 4.666 ( -2.313 0.119 -3.109) 3.877 4.781 ( -0.204 -1.109 -2.684) 2.911 4.805 ( 0.809 1.142 -2.420) 2.796 4.811 ( -0.481 0.050 -0.914) 1.034 4.878 ( 2.207 1.671 2.614) 3.807 4.959 ( 0.244 -0.657 -1.603) 1.750 4.990 ( 0.806 1.642 1.751) 2.532 5.055 ( -1.019 0.257 1.122) 1.537 5.073 ( 0.070 1.922 2.472) 3.132 5.088 ( -2.889 0.604 2.465) 3.846 5.165 ( -1.374 1.283 -1.138) 2.198 5.195 ( -3.127 0.865 3.329) 4.648 5.298 ( -4.961 0.742 -1.124) 5.141 5.396 ( -2.141 -3.608 -1.106) 4.339 5.419 ( -3.044 2.023 -0.193) 3.660 5.480 ( -3.155 1.392 0.945) 3.575 5.548 ( 0.126 -0.048 -1.118) 1.126 5.593 ( -3.037 0.714 0.531) 3.165 5.676 ( -3.333 -2.249 -0.166) 4.025 5.725 ( -1.595 -1.887 -0.754) 2.583 5.778 ( 0.486 -0.053 1.916) 1.977 5.848 ( -0.139 2.652 -2.651) 3.752 5.892 ( 0.092 0.070 -2.092) 2.095 5.916 ( -0.707 0.111 -1.313) 1.495 5.927 ( 2.468 -0.956 -0.923) 2.803 5.975 ( -1.663 1.172 -0.099) 2.037 6.029 ( 0.089 -0.388 0.061) 0.403 6.058 ( -0.557 -0.789 -0.801) 1.254 6.110 ( 1.336 0.146 1.367) 1.917 6.116 ( 2.372 1.749 -0.210) 2.955 6.170 ( 3.124 -2.125 0.687) 3.840 6.220 ( 0.595 -1.006 -0.413) 1.240 6.283 ( 3.511 4.309 1.323) 5.713 6.379 ( 3.027 1.637 -0.783) 3.530 6.507 ( 1.845 0.287 1.181) 2.209 6.544 ( 0.832 0.731 -0.158) 1.118 8.590 ( 0.093 -1.509 0.086) 1.514 8.631 ( -0.373 -2.264 -0.279) 2.312 9.661 ( -4.501 4.634 0.643) 6.492 9.772 ( -6.420 0.778 -0.492) 6.485 10.477 ( 2.179 5.471 -0.663) 5.926 10.623 ( 0.443 0.012 -1.264) 1.339 10.679 ( 2.431 -0.417 -1.828) 3.070 10.749 ( -2.630 4.570 2.571) 5.867 10.796 ( 4.532 -2.371 1.197) 5.253 10.986 ( 0.528 -0.265 -0.774) 0.974 11.047 ( 3.929 -0.096 -0.643) 3.982 11.079 ( 2.428 -1.490 0.958) 3.006 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 7.250 8.395 -1.025) 11.140 1.343 ( 5.951 7.727 -0.728) 9.780 1.452 ( 3.058 3.481 -3.092) 5.570 1.600 ( -9.432 2.699 1.271) 9.893 1.620 ( 7.732 3.441 2.062) 8.711 1.780 ( -4.831 2.984 -0.174) 5.681 1.841 ( -1.363 3.919 3.696) 5.557 1.855 ( -1.238 -2.951 2.150) 3.855 1.985 ( 8.756 5.673 -5.960) 12.016 2.037 ( -0.747 2.265 1.317) 2.725 2.088 ( -3.892 3.152 0.588) 5.042 2.158 ( 2.080 -1.099 -0.907) 2.522 2.221 ( 0.734 -0.232 1.681) 1.849 2.230 ( -0.698 -0.870 -4.199) 4.345 2.249 ( 2.689 1.666 -4.032) 5.125 2.286 ( -0.532 0.223 4.588) 4.624 2.441 ( 1.161 -3.262 0.513) 3.501 2.512 ( 3.381 -4.321 1.370) 5.656 2.559 ( -0.865 -2.326 -0.380) 2.510 2.605 ( 0.796 -4.458 -0.201) 4.533 2.626 ( -1.981 -6.354 -2.441) 7.089 2.670 ( -2.178 -1.404 -1.390) 2.941 2.755 ( 1.048 -3.439 -1.235) 3.802 2.788 ( -2.858 -5.173 -0.432) 5.925 2.863 ( 1.357 -3.360 4.060) 5.442 2.909 ( -0.113 -1.603 -1.497) 2.196 2.966 ( 0.858 -3.130 2.770) 4.267 3.033 ( -1.318 -3.907 -3.676) 5.524 3.084 ( 5.360 -2.982 -0.956) 6.208 3.133 ( -1.947 -3.251 3.715) 5.307 3.246 ( 2.500 1.128 -1.395) 3.077 3.290 ( 2.982 -2.867 -1.916) 4.559 3.331 ( -3.229 -4.692 -1.314) 5.845 3.346 ( -4.091 1.278 1.948) 4.708 3.396 ( 2.197 -0.167 2.883) 3.629 3.435 ( 2.238 0.784 -1.398) 2.752 3.493 ( -0.497 0.014 -1.783) 1.851 3.548 ( -4.993 0.467 2.534) 5.619 3.620 ( 0.682 1.035 0.475) 1.328 3.671 ( -2.651 1.789 -1.853) 3.696 3.717 ( 1.925 -0.736 -1.003) 2.292 3.750 ( -3.339 -0.261 0.718) 3.426 3.876 ( 1.075 0.742 1.169) 1.752 3.891 ( 0.944 -0.408 2.046) 2.290 3.911 ( 2.893 -3.486 0.124) 4.532 3.960 ( 0.106 -3.262 -0.167) 3.268 4.002 ( 2.961 1.903 1.318) 3.758 4.054 ( 0.337 1.422 -0.359) 1.504 4.119 ( 1.578 0.649 -0.365) 1.745 4.146 ( 0.911 0.447 -0.998) 1.423 4.167 ( -0.529 0.379 -0.644) 0.915 4.216 ( -1.814 -1.137 -1.264) 2.486 4.241 ( 0.219 2.130 2.664) 3.418 4.305 ( -2.382 0.807 -0.027) 2.515 4.345 ( 0.930 1.222 -1.636) 2.244 4.389 ( -2.019 0.308 -1.111) 2.325 4.454 ( 1.419 3.029 2.843) 4.390 4.502 ( -0.644 0.433 1.226) 1.451 4.578 ( 0.069 -1.014 -0.841) 1.319 4.592 ( -2.416 -1.048 -1.715) 3.143 4.658 ( 1.663 -0.237 1.700) 2.390 4.733 ( -2.771 -0.594 -2.616) 3.857 4.808 ( 1.624 1.306 -0.370) 2.117 4.821 ( -0.035 1.230 0.273) 1.260 4.934 ( -0.196 2.014 3.360) 3.922 4.974 ( 2.600 -0.452 0.962) 2.809 4.979 ( -0.800 0.633 -2.206) 2.430 5.052 ( -1.566 -0.040 -0.954) 1.835 5.072 ( 1.244 -0.222 -0.560) 1.382 5.087 ( -1.431 -1.347 2.104) 2.879 5.156 ( 1.245 1.171 -0.468) 1.772 5.202 ( -3.676 -0.483 1.733) 4.092 5.230 ( 1.419 0.418 1.950) 2.448 5.318 ( -4.439 -1.197 -1.502) 4.837 5.376 ( -1.050 3.633 2.013) 4.284 5.433 ( -1.985 3.366 -3.923) 5.537 5.548 ( 0.115 -1.617 1.844) 2.455 5.592 ( -0.978 -3.019 -0.721) 3.254 5.616 ( 1.125 1.268 0.172) 1.704 5.678 ( -2.790 -1.204 -1.111) 3.236 5.801 ( -0.518 0.164 2.041) 2.112 5.820 ( 0.065 0.793 -2.583) 2.703 5.878 ( 1.630 0.473 -0.154) 1.704 5.920 ( 0.254 0.510 -2.183) 2.256 5.931 ( -0.588 -1.798 0.244) 1.908 5.951 ( -0.452 -1.741 0.476) 1.861 6.026 ( -0.114 -0.385 0.233) 0.464 6.043 ( -1.085 -1.099 -0.721) 1.705 6.140 ( 1.825 1.269 2.551) 3.384 6.173 ( 1.394 1.286 1.006) 2.147 6.207 ( 0.733 0.425 -1.455) 1.683 6.224 ( -0.384 0.062 -0.306) 0.495 6.357 ( 2.687 4.055 2.451) 5.447 6.403 ( 0.525 3.446 -1.555) 3.817 6.533 ( 0.594 -1.042 0.340) 1.247 6.546 ( 0.287 -0.432 -1.077) 1.196 8.600 ( 0.591 -1.974 0.388) 2.096 8.616 ( -0.674 -2.244 -0.495) 2.395 9.624 ( -0.622 3.318 1.262) 3.604 9.667 ( -3.871 1.951 -1.251) 4.512 10.531 ( 3.197 5.330 1.287) 6.347 10.597 ( -1.863 2.773 -1.701) 3.749 10.699 ( 1.625 0.503 -0.724) 1.849 10.723 ( -1.919 1.466 0.690) 2.512 10.889 ( 2.945 -2.112 3.058) 4.742 10.959 ( -1.297 -1.141 -2.750) 3.248 11.101 ( 2.321 -1.624 -0.163) 2.838 11.115 ( 0.546 -2.141 0.351) 2.237 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -1.599 7.504 -0.931) 7.729 1.151 ( 1.599 7.504 0.931) 7.729 1.401 ( -2.031 3.687 -3.401) 5.412 1.401 ( 2.031 3.687 3.401) 5.412 1.639 ( -1.963 3.237 -3.349) 5.055 1.639 ( 1.963 3.237 3.349) 5.055 1.736 ( 1.207 -5.039 -2.217) 5.636 1.736 ( -1.207 -5.039 2.217) 5.636 1.929 ( 2.033 -5.396 -3.129) 6.560 1.929 ( -2.033 -5.396 3.129) 6.560 2.160 ( -3.442 -1.840 -2.510) 4.641 2.160 ( 3.442 -1.840 2.510) 4.641 2.256 ( 1.102 5.579 -6.701) 8.789 2.256 ( -1.102 5.579 6.701) 8.789 2.393 ( -3.803 0.038 -3.403) 5.103 2.393 ( 3.803 0.038 3.403) 5.103 2.471 ( -1.739 1.097 -1.318) 2.443 2.471 ( 1.739 1.097 1.318) 2.443 2.617 ( 1.124 1.939 -3.522) 4.174 2.617 ( -1.124 1.939 3.522) 4.174 2.681 ( 1.175 -0.928 -0.926) 1.760 2.681 ( -1.175 -0.928 0.926) 1.760 2.762 ( 2.578 -0.549 -1.445) 3.006 2.762 ( -2.578 -0.549 1.445) 3.006 2.816 ( 2.369 0.013 -3.864) 4.533 2.816 ( -2.369 0.013 3.864) 4.533 2.996 ( -0.545 -3.636 -1.059) 3.826 2.996 ( 0.545 -3.636 1.059) 3.826 3.095 ( 1.479 -1.638 -1.830) 2.867 3.095 ( -1.479 -1.638 1.830) 2.867 3.182 ( -1.818 2.790 -2.081) 3.927 3.182 ( 1.818 2.790 2.081) 3.927 3.264 ( -3.164 -2.963 -1.440) 4.568 3.264 ( 3.164 -2.963 1.440) 4.568 3.329 ( 1.865 -0.521 -3.939) 4.389 3.329 ( -1.865 -0.521 3.939) 4.389 3.432 ( 1.996 -1.420 -4.471) 5.098 3.432 ( -1.996 -1.420 4.471) 5.098 3.575 ( -1.198 -0.503 -1.005) 1.642 3.575 ( 1.198 -0.503 1.005) 1.642 3.672 ( -0.265 -2.853 -0.580) 2.924 3.672 ( 0.265 -2.853 0.580) 2.924 3.826 ( -0.289 0.075 -0.621) 0.689 3.826 ( 0.289 0.075 0.621) 0.689 3.955 ( -2.805 1.378 -1.986) 3.703 3.955 ( 2.805 1.378 1.986) 3.703 3.995 ( -1.582 -2.342 -1.706) 3.301 3.995 ( 1.582 -2.342 1.706) 3.301 4.143 ( -0.485 -0.766 -2.095) 2.283 4.143 ( 0.485 -0.766 2.095) 2.283 4.177 ( 1.084 1.940 -1.325) 2.587 4.177 ( -1.084 1.940 1.325) 2.587 4.342 ( 0.364 1.548 -0.808) 1.784 4.342 ( -0.364 1.548 0.808) 1.784 4.407 ( 0.891 2.439 -1.794) 3.156 4.407 ( -0.891 2.439 1.794) 3.156 4.505 ( -0.958 -1.468 -0.461) 1.812 4.505 ( 0.958 -1.468 0.461) 1.812 4.573 ( 0.226 -1.741 -1.603) 2.377 4.573 ( -0.226 -1.741 1.603) 2.377 4.765 ( -0.264 0.380 -0.630) 0.782 4.765 ( 0.264 0.380 0.630) 0.782 4.853 ( 0.529 0.659 -1.237) 1.498 4.853 ( -0.529 0.659 1.237) 1.498 4.902 ( -0.430 -0.983 -0.681) 1.271 4.902 ( 0.430 -0.983 0.681) 1.271 5.057 ( -0.574 2.151 -0.655) 2.320 5.057 ( 0.574 2.151 0.655) 2.320 5.117 ( -0.406 0.782 -1.693) 1.909 5.117 ( 0.406 0.782 1.693) 1.909 5.192 ( 1.234 -0.676 -2.274) 2.674 5.192 ( -1.234 -0.676 2.274) 2.674 5.474 ( 0.310 0.067 -0.989) 1.039 5.474 ( -0.310 0.067 0.989) 1.039 5.595 ( -0.281 0.441 -2.440) 2.495 5.595 ( 0.281 0.441 2.440) 2.495 5.647 ( -1.388 0.353 -1.327) 1.952 5.647 ( 1.388 0.353 1.327) 1.952 5.727 ( -6.139 1.563 -0.162) 6.337 5.727 ( 6.139 1.563 0.162) 6.337 5.793 ( -2.523 -1.711 -1.047) 3.223 5.793 ( 2.523 -1.711 1.047) 3.223 5.850 ( -0.441 -0.217 -1.029) 1.140 5.850 ( 0.441 -0.217 1.029) 1.140 5.932 ( 0.207 -0.014 -1.029) 1.050 5.932 ( -0.207 -0.014 1.029) 1.050 6.008 ( -0.468 -0.176 -0.650) 0.821 6.008 ( 0.468 -0.176 0.650) 0.821 6.087 ( -0.080 -0.904 -0.962) 1.323 6.087 ( 0.080 -0.904 0.962) 1.323 6.187 ( -0.752 0.608 -0.195) 0.987 6.187 ( 0.752 0.608 0.195) 0.987 6.362 ( -0.940 0.857 -1.758) 2.170 6.362 ( 0.940 0.857 1.758) 2.170 6.435 ( -1.102 0.512 -1.787) 2.161 6.435 ( 1.102 0.512 1.787) 2.161 8.595 ( -0.304 -0.580 -0.224) 0.692 8.595 ( 0.304 -0.580 0.224) 0.692 9.901 ( -0.504 1.400 -0.830) 1.703 9.901 ( 0.504 1.400 0.830) 1.703 10.563 ( -0.945 0.149 -1.094) 1.453 10.563 ( 0.945 0.149 1.094) 1.453 10.658 ( 0.721 0.427 -1.126) 1.404 10.658 ( -0.721 0.427 1.126) 1.404 10.894 ( -0.670 1.311 -1.720) 2.264 10.894 ( 0.670 1.311 1.720) 2.264 11.005 ( 0.032 0.304 -0.247) 0.392 11.005 ( -0.032 0.304 0.247) 0.392 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 6.840 10.427 2.378) 12.695 1.295 ( 10.302 7.917 0.491) 13.002 1.403 ( 4.459 3.621 0.501) 5.766 1.517 ( 6.117 4.015 1.432) 7.456 1.571 ( -0.372 0.122 -3.800) 3.821 1.730 ( 2.881 -2.026 1.200) 3.721 1.743 ( 1.143 -0.927 2.680) 3.057 1.804 ( 5.353 -3.926 1.009) 6.715 1.923 ( 2.954 -4.690 0.523) 5.568 1.946 ( 4.592 -6.899 -3.688) 9.071 2.044 ( -4.657 3.009 -2.055) 5.913 2.107 ( -2.096 -1.822 -1.828) 3.325 2.206 ( -7.702 1.162 -1.000) 7.853 2.218 ( -8.218 -0.459 -2.984) 8.755 2.328 ( 5.358 6.748 -3.542) 9.316 2.427 ( 0.740 -2.490 -1.281) 2.896 2.462 ( -0.183 3.519 0.963) 3.653 2.486 ( -0.811 1.485 2.261) 2.824 2.608 ( -3.796 1.004 1.062) 4.067 2.642 ( 1.887 1.899 -1.044) 2.874 2.663 ( -3.163 -5.044 -0.218) 5.957 2.710 ( -3.455 -4.826 2.624) 6.490 2.741 ( 1.367 2.318 1.287) 2.983 2.769 ( -0.776 -1.849 -0.184) 2.013 2.836 ( -0.264 0.579 -1.013) 1.196 2.866 ( 2.910 -0.549 0.883) 3.090 2.948 ( 0.698 0.716 -2.007) 2.243 3.037 ( 3.427 -5.817 -4.156) 7.928 3.067 ( -2.458 4.684 -3.143) 6.153 3.130 ( -3.992 -0.295 3.832) 5.542 3.157 ( 1.011 1.198 7.039) 7.211 3.211 ( 2.809 -4.397 0.505) 5.242 3.250 ( 3.009 2.741 0.913) 4.171 3.325 ( -0.100 -0.309 -0.574) 0.660 3.336 ( 4.318 -3.534 -0.636) 5.616 3.357 ( 0.038 -1.147 3.363) 3.554 3.410 ( 0.831 -1.068 -3.309) 3.575 3.431 ( -0.235 -2.725 0.482) 2.777 3.591 ( 1.851 1.088 2.949) 3.648 3.633 ( 2.195 -2.883 1.184) 3.812 3.676 ( 0.878 -0.437 1.389) 1.700 3.702 ( 1.530 -3.136 1.337) 3.736 3.781 ( -1.248 2.108 -1.136) 2.701 3.822 ( 1.614 -1.777 -1.473) 2.816 3.897 ( -2.369 0.591 -1.599) 2.918 3.923 ( -3.693 -1.975 -2.530) 4.892 4.018 ( 0.788 -0.111 -1.008) 1.284 4.022 ( 2.513 -1.233 -0.178) 2.805 4.075 ( -2.337 1.960 0.030) 3.050 4.124 ( -1.348 -2.336 1.343) 3.013 4.216 ( 0.134 1.660 2.075) 2.660 4.234 ( 2.182 0.638 0.575) 2.345 4.339 ( 0.324 1.474 -1.468) 2.105 4.342 ( 1.546 1.329 -2.727) 3.404 4.420 ( 0.798 3.696 1.332) 4.009 4.432 ( 0.073 2.835 1.469) 3.194 4.486 ( -1.243 -0.773 1.192) 1.888 4.519 ( -0.374 -3.759 1.237) 3.974 4.557 ( -0.452 0.589 1.255) 1.459 4.593 ( -0.355 -2.140 0.701) 2.280 4.738 ( -0.957 0.676 -3.231) 3.437 4.761 ( -0.788 -1.362 -0.708) 1.726 4.828 ( -0.216 1.183 -2.017) 2.348 4.839 ( 0.357 0.419 -0.846) 1.010 4.899 ( -0.388 0.373 0.711) 0.892 4.924 ( 0.044 -2.194 1.652) 2.746 5.022 ( -0.982 3.849 -0.648) 4.024 5.081 ( 0.745 -0.684 -0.777) 1.275 5.095 ( -0.907 2.436 0.061) 2.600 5.126 ( -1.589 0.023 1.764) 2.374 5.191 ( -0.642 -0.002 0.793) 1.020 5.214 ( -0.118 -0.704 2.811) 2.900 5.401 ( -4.795 -0.400 -2.729) 5.532 5.414 ( -5.398 -1.013 -0.196) 5.496 5.533 ( -3.886 2.174 -0.826) 4.529 5.559 ( -4.980 -0.468 0.050) 5.003 5.617 ( -3.536 2.371 0.710) 4.316 5.629 ( -1.683 1.318 0.945) 2.337 5.674 ( -0.457 -0.887 0.940) 1.371 5.712 ( -2.864 -3.795 -2.163) 5.224 5.805 ( 0.244 3.007 0.406) 3.044 5.849 ( 2.176 -1.179 0.646) 2.558 5.885 ( 3.120 -0.099 -0.906) 3.250 5.902 ( 3.162 -1.311 -0.788) 3.512 5.941 ( 0.612 1.902 0.368) 2.032 5.972 ( 2.696 -1.154 2.715) 3.996 5.998 ( -0.113 0.571 -0.157) 0.603 6.023 ( 1.831 -1.608 -0.213) 2.446 6.078 ( -0.256 0.697 -0.647) 0.985 6.104 ( 0.523 -1.681 0.191) 1.771 6.182 ( -0.409 2.052 -2.403) 3.187 6.209 ( 0.752 -0.665 -1.459) 1.771 6.288 ( 1.423 2.139 -3.610) 4.431 6.322 ( 2.465 -1.209 -2.967) 4.042 6.490 ( 1.137 1.978 4.083) 4.677 6.514 ( 1.557 -0.449 3.458) 3.819 8.584 ( -0.564 0.024 -0.242) 0.614 8.598 ( -0.144 -1.361 -0.051) 1.370 9.837 ( -5.539 3.204 0.305) 6.406 9.872 ( -4.741 -0.554 0.814) 4.842 10.549 ( 0.786 3.007 -0.872) 3.228 10.596 ( 1.405 -1.958 0.470) 2.455 10.654 ( 2.350 0.996 -2.751) 3.753 10.676 ( 3.888 -1.082 -3.674) 5.457 10.879 ( -1.795 4.284 2.617) 5.331 10.938 ( 0.233 -1.642 3.690) 4.046 11.016 ( 1.773 0.475 -0.780) 1.995 11.021 ( 1.653 -0.116 -0.053) 1.658 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 6.505 9.764 -0.998) 11.774 1.445 ( 7.270 12.784 -0.205) 14.708 1.469 ( 3.594 4.357 -2.537) 6.191 1.574 ( 3.250 -0.318 1.167) 3.468 1.650 ( 4.406 -5.098 1.950) 7.014 1.723 ( -0.055 -7.242 -0.779) 7.284 1.853 ( 0.079 4.317 5.250) 6.798 1.906 ( 6.963 1.750 -0.133) 7.180 1.956 ( -0.499 0.184 -3.129) 3.174 2.001 ( 2.487 -0.603 -0.653) 2.641 2.061 ( 0.919 -5.296 5.215) 7.489 2.102 ( 4.599 -1.392 -5.698) 7.454 2.137 ( 2.384 -0.513 0.522) 2.494 2.145 ( 8.985 -1.874 1.656) 9.326 2.305 ( -2.018 2.832 -3.150) 4.692 2.341 ( -5.785 0.033 -4.507) 7.334 2.436 ( -6.710 3.218 0.121) 7.443 2.484 ( -1.663 -1.511 -1.294) 2.594 2.551 ( -3.537 -1.232 -0.697) 3.809 2.607 ( -2.969 -4.792 0.671) 5.677 2.647 ( -2.569 2.565 1.383) 3.885 2.691 ( -0.621 -2.605 3.199) 4.172 2.710 ( 0.311 0.712 0.308) 0.836 2.766 ( -3.547 -3.533 0.312) 5.016 2.782 ( 0.088 4.592 -1.667) 4.886 2.910 ( 2.655 -5.658 -1.913) 6.536 2.970 ( -3.572 2.509 -2.440) 5.001 2.992 ( 3.540 2.192 -0.790) 4.238 3.010 ( -0.431 -2.619 -4.143) 4.920 3.060 ( -3.515 -2.239 -0.075) 4.168 3.232 ( 0.358 -1.268 -0.378) 1.370 3.270 ( 0.161 -4.589 -0.566) 4.626 3.299 ( 2.127 3.283 -1.391) 4.152 3.345 ( -0.176 2.031 6.294) 6.616 3.369 ( 2.143 0.037 -1.821) 2.812 3.405 ( 3.770 2.557 -0.526) 4.586 3.460 ( 2.853 -5.004 3.743) 6.870 3.469 ( 2.319 -4.163 2.081) 5.201 3.632 ( -0.810 1.155 1.027) 1.745 3.657 ( 0.857 -0.726 2.531) 2.769 3.727 ( 2.587 -0.271 -0.925) 2.761 3.749 ( 1.484 -2.606 2.063) 3.640 3.824 ( 1.453 1.983 3.629) 4.383 3.840 ( -0.475 -0.597 -2.300) 2.423 3.851 ( 0.079 -0.618 -0.067) 0.626 3.880 ( 2.796 -2.169 2.382) 4.265 4.003 ( -0.029 1.608 -1.273) 2.051 4.037 ( 1.819 -2.000 -1.908) 3.309 4.080 ( 1.054 2.009 0.322) 2.291 4.136 ( 0.756 -3.010 1.565) 3.476 4.206 ( -1.803 1.585 -0.019) 2.401 4.230 ( -1.311 0.128 -1.818) 2.245 4.319 ( -0.917 2.409 -1.108) 2.805 4.340 ( 0.460 0.211 -1.993) 2.056 4.425 ( -0.783 3.336 -0.637) 3.485 4.436 ( -1.119 2.344 0.528) 2.651 4.492 ( -1.157 1.152 3.142) 3.541 4.538 ( -1.054 -2.912 2.315) 3.867 4.557 ( -1.424 0.165 0.557) 1.538 4.572 ( -0.347 -1.656 -0.328) 1.724 4.665 ( -1.985 0.906 -3.078) 3.773 4.719 ( -1.129 -3.881 -2.775) 4.903 4.832 ( 2.146 1.906 -0.865) 2.997 4.850 ( 2.151 0.759 -2.931) 3.714 4.912 ( 0.246 1.940 2.949) 3.538 4.939 ( -0.717 -0.947 2.122) 2.432 5.016 ( -0.422 1.188 1.164) 1.716 5.059 ( -2.651 -2.103 -0.344) 3.401 5.090 ( -0.245 1.667 1.472) 2.237 5.117 ( -0.702 0.831 -0.332) 1.137 5.168 ( -1.542 1.748 0.276) 2.347 5.229 ( -1.499 -0.596 1.666) 2.319 5.286 ( -4.914 -0.092 -1.837) 5.247 5.332 ( -4.410 -2.456 1.686) 5.322 5.473 ( -3.750 2.132 1.874) 4.703 5.492 ( -3.281 0.023 2.781) 4.301 5.549 ( -2.740 1.396 -1.074) 3.257 5.616 ( -2.765 -2.648 -3.583) 5.244 5.632 ( -0.249 1.660 0.540) 1.764 5.682 ( -0.470 -2.335 -0.706) 2.485 5.810 ( 0.030 2.707 0.531) 2.759 5.862 ( -0.024 -2.270 -0.382) 2.302 5.892 ( -0.932 0.882 -2.737) 3.023 5.907 ( 1.431 -0.839 -2.564) 3.054 5.944 ( -0.748 2.357 -0.239) 2.484 5.980 ( -2.219 -0.915 -0.359) 2.427 6.022 ( -0.004 0.306 1.888) 1.913 6.040 ( -0.913 -1.158 0.140) 1.481 6.112 ( 2.332 0.331 0.356) 2.382 6.130 ( 2.827 -1.428 -0.036) 3.168 6.158 ( 3.501 1.968 -1.205) 4.193 6.194 ( 1.767 -1.637 -1.129) 2.660 6.355 ( 4.128 2.887 1.380) 5.223 6.390 ( 4.518 -0.652 0.326) 4.576 6.525 ( -0.037 1.363 0.895) 1.631 6.546 ( 0.099 -0.569 0.163) 0.601 8.574 ( -0.308 -0.021 -0.064) 0.316 8.591 ( -0.458 -1.647 -0.230) 1.725 9.739 ( -5.447 3.168 0.444) 6.317 9.776 ( -6.091 -0.724 0.298) 6.141 10.570 ( 1.605 3.573 0.280) 3.927 10.610 ( 0.585 -1.115 -0.678) 1.430 10.682 ( 3.705 1.520 -2.065) 4.505 10.736 ( 5.295 -3.318 -0.630) 6.280 10.865 ( -2.925 5.811 1.753) 6.738 10.955 ( -1.406 -3.279 0.922) 3.685 11.049 ( 2.437 0.214 -0.418) 2.482 11.056 ( 2.022 -0.703 0.103) 2.143 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.686 8.115 1.409) 9.023 1.506 ( -0.235 2.391 -2.270) 3.305 1.536 ( 5.063 8.717 -0.142) 10.081 1.639 ( -3.390 -0.357 -1.868) 3.887 1.673 ( 4.162 2.117 2.966) 5.532 1.735 ( 0.645 -5.795 -0.260) 5.836 1.875 ( -0.239 3.853 2.552) 4.628 1.901 ( -0.467 1.120 -1.760) 2.138 2.034 ( 1.281 0.685 1.708) 2.242 2.058 ( 3.285 -1.051 -1.662) 3.829 2.099 ( 0.220 -0.507 3.933) 3.972 2.149 ( 1.499 -2.028 -5.191) 5.771 2.213 ( 4.969 2.285 -3.461) 6.472 2.254 ( 5.302 0.137 1.005) 5.398 2.261 ( -0.371 1.784 0.932) 2.047 2.325 ( -3.192 3.335 0.847) 4.694 2.351 ( 6.272 -6.502 0.648) 9.057 2.398 ( -5.462 -3.990 0.218) 6.767 2.468 ( -3.795 -1.527 -1.855) 4.491 2.524 ( -6.057 -5.463 -0.510) 8.172 2.599 ( 0.344 3.519 0.009) 3.536 2.666 ( -3.053 -2.166 -3.204) 4.927 2.693 ( -3.791 -2.572 -0.397) 4.598 2.700 ( -4.288 -2.931 0.833) 5.261 2.854 ( 3.688 1.808 3.659) 5.501 2.887 ( 0.275 -1.623 2.455) 2.956 2.957 ( -0.376 0.672 -1.648) 1.819 2.964 ( 1.100 -1.844 -3.462) 4.074 3.049 ( 3.634 -0.586 -0.477) 3.712 3.068 ( 1.349 -2.746 1.950) 3.628 3.205 ( -1.125 -1.757 -1.270) 2.443 3.227 ( -2.394 -4.202 -1.764) 5.147 3.326 ( 4.045 3.077 -2.570) 5.695 3.360 ( 1.004 -0.255 -2.144) 2.381 3.427 ( -1.703 2.640 6.790) 7.481 3.464 ( -0.129 0.215 0.603) 0.653 3.494 ( 3.980 0.762 -1.445) 4.303 3.530 ( 0.444 -2.056 2.203) 3.046 3.651 ( 2.062 2.184 1.125) 3.207 3.692 ( 1.835 -1.671 -0.277) 2.498 3.717 ( -2.581 2.576 -0.167) 3.651 3.753 ( -4.051 -0.512 -0.182) 4.088 3.847 ( 1.994 -1.764 1.259) 2.945 3.855 ( 2.304 -2.329 -0.277) 3.288 3.885 ( 0.482 0.482 0.906) 1.133 3.909 ( -1.642 -1.741 0.255) 2.407 4.035 ( 3.154 1.559 0.964) 3.648 4.068 ( 1.921 -1.236 -0.679) 2.383 4.109 ( 1.235 1.094 0.716) 1.798 4.148 ( -1.785 -1.888 -0.611) 2.669 4.182 ( -0.132 0.856 0.202) 0.889 4.192 ( 0.026 -0.608 -1.139) 1.291 4.301 ( -0.407 2.897 1.270) 3.189 4.319 ( -0.403 0.663 -1.169) 1.404 4.369 ( -2.598 1.138 -2.227) 3.606 4.389 ( -2.860 -0.691 -2.181) 3.663 4.505 ( -0.715 1.473 2.043) 2.618 4.509 ( -0.318 0.406 2.398) 2.453 4.562 ( -0.146 0.031 -0.443) 0.467 4.572 ( -0.946 -0.908 -0.500) 1.403 4.655 ( 2.224 0.567 0.869) 2.455 4.696 ( 0.015 -2.859 -1.262) 3.125 4.855 ( 1.651 2.150 -1.548) 3.122 4.861 ( 1.350 1.898 -0.671) 2.424 4.954 ( 0.723 0.036 1.855) 1.992 4.960 ( 0.406 0.031 3.016) 3.043 4.989 ( -1.875 -0.067 -0.054) 1.877 5.016 ( -2.269 -2.483 -0.064) 3.364 5.077 ( -0.988 0.693 -2.096) 2.419 5.083 ( -2.409 0.246 -0.569) 2.488 5.182 ( 1.935 1.667 0.362) 2.580 5.209 ( -0.501 0.227 -0.506) 0.747 5.231 ( -0.460 0.491 1.379) 1.534 5.277 ( -3.839 -2.874 0.905) 4.880 5.449 ( -1.936 3.646 4.444) 6.066 5.486 ( -0.633 1.888 -1.406) 2.438 5.511 ( -1.514 -2.022 2.301) 3.417 5.540 ( -0.324 -2.097 -4.735) 5.188 5.635 ( 0.534 0.845 0.156) 1.011 5.657 ( -1.027 -1.205 -0.993) 1.868 5.822 ( 0.584 1.966 0.908) 2.243 5.849 ( -0.736 1.533 -1.410) 2.209 5.870 ( 1.494 -1.594 -0.803) 2.328 5.893 ( -0.214 -1.872 -1.121) 2.192 5.918 ( -1.285 0.065 -0.129) 1.294 5.929 ( -2.193 -0.513 -0.697) 2.358 6.019 ( -0.815 -0.159 0.614) 1.033 6.024 ( -0.464 -0.697 -0.747) 1.122 6.166 ( 2.846 1.365 1.487) 3.489 6.187 ( 2.315 -0.384 0.814) 2.484 6.210 ( 0.996 0.383 -0.347) 1.122 6.220 ( 0.194 -0.366 0.409) 0.582 6.428 ( 2.313 2.961 1.849) 4.188 6.453 ( 1.884 0.959 -0.228) 2.126 6.517 ( -0.461 -0.125 -0.299) 0.563 6.533 ( -0.596 -1.039 -1.431) 1.866 8.573 ( 0.123 -0.595 0.131) 0.621 8.580 ( -0.408 -1.276 -0.231) 1.360 9.676 ( -1.764 1.881 0.381) 2.607 9.691 ( -3.075 0.320 -0.189) 3.097 10.598 ( 0.724 1.328 0.761) 1.693 10.610 ( 0.173 -0.312 -0.636) 0.729 10.740 ( 4.139 4.270 -0.229) 5.951 10.811 ( -3.071 4.866 -0.181) 5.757 10.831 ( 3.603 -3.101 1.703) 5.049 10.912 ( -2.912 -3.933 -1.531) 5.128 11.080 ( 1.223 -0.519 -0.136) 1.336 11.083 ( 0.727 -0.915 0.124) 1.175 =================== 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 3/21168 10.0 263.764 190.353 157.880 0.000 -34.976 0.000 3/21168 20.0 33.596 25.256 23.628 0.000 -4.167 0.000 3/21168 30.0 12.956 9.927 9.470 0.000 -1.465 0.000 3/21168 40.0 7.237 5.631 5.379 0.000 -0.773 0.000 3/21168 50.0 4.843 3.811 3.636 0.000 -0.499 0.000 3/21168 60.0 3.598 2.854 2.721 0.000 -0.362 0.000 3/21168 70.0 2.857 2.278 2.172 0.000 -0.282 0.000 3/21168 80.0 2.372 1.897 1.810 0.000 -0.230 0.000 3/21168 90.0 2.032 1.629 1.554 0.000 -0.195 0.000 3/21168 100.0 1.780 1.429 1.365 0.000 -0.169 0.000 3/21168 110.0 1.587 1.275 1.218 0.000 -0.149 0.000 3/21168 120.0 1.434 1.152 1.101 0.000 -0.133 0.000 3/21168 130.0 1.309 1.052 1.006 0.000 -0.120 0.000 3/21168 140.0 1.205 0.968 0.926 0.000 -0.110 0.000 3/21168 150.0 1.117 0.898 0.859 0.000 -0.101 0.000 3/21168 160.0 1.042 0.837 0.801 0.000 -0.094 0.000 3/21168 170.0 0.976 0.785 0.751 0.000 -0.087 0.000 3/21168 180.0 0.919 0.739 0.707 0.000 -0.082 0.000 3/21168 190.0 0.869 0.698 0.668 0.000 -0.077 0.000 3/21168 200.0 0.823 0.662 0.633 0.000 -0.073 0.000 3/21168 210.0 0.783 0.629 0.602 0.000 -0.069 0.000 3/21168 220.0 0.746 0.600 0.573 0.000 -0.065 0.000 3/21168 230.0 0.713 0.573 0.548 0.000 -0.062 0.000 3/21168 240.0 0.683 0.549 0.524 0.000 -0.059 0.000 3/21168 250.0 0.655 0.526 0.503 0.000 -0.057 0.000 3/21168 260.0 0.629 0.506 0.483 0.000 -0.054 0.000 3/21168 270.0 0.606 0.487 0.465 0.000 -0.052 0.000 3/21168 280.0 0.584 0.469 0.448 0.000 -0.050 0.000 3/21168 290.0 0.564 0.453 0.432 0.000 -0.048 0.000 3/21168 300.0 0.545 0.437 0.418 0.000 -0.046 0.000 3/21168 310.0 0.527 0.423 0.404 0.000 -0.045 0.000 3/21168 320.0 0.511 0.410 0.391 0.000 -0.043 0.000 3/21168 330.0 0.495 0.397 0.379 0.000 -0.042 0.000 3/21168 340.0 0.480 0.386 0.368 0.000 -0.041 0.000 3/21168 350.0 0.467 0.375 0.358 0.000 -0.039 0.000 3/21168 360.0 0.454 0.364 0.348 0.000 -0.038 0.000 3/21168 370.0 0.441 0.354 0.338 0.000 -0.037 0.000 3/21168 380.0 0.430 0.345 0.329 0.000 -0.036 0.000 3/21168 390.0 0.419 0.336 0.321 0.000 -0.035 0.000 3/21168 400.0 0.408 0.328 0.313 0.000 -0.034 0.000 3/21168 410.0 0.398 0.320 0.305 0.000 -0.033 0.000 3/21168 420.0 0.389 0.312 0.298 0.000 -0.033 0.000 3/21168 430.0 0.380 0.305 0.291 0.000 -0.032 0.000 3/21168 440.0 0.371 0.298 0.284 0.000 -0.031 0.000 3/21168 450.0 0.363 0.291 0.278 0.000 -0.030 0.000 3/21168 460.0 0.355 0.285 0.272 0.000 -0.030 0.000 3/21168 470.0 0.348 0.279 0.266 0.000 -0.029 0.000 3/21168 480.0 0.341 0.273 0.261 0.000 -0.028 0.000 3/21168 490.0 0.334 0.268 0.255 0.000 -0.028 0.000 3/21168 500.0 0.327 0.262 0.250 0.000 -0.027 0.000 3/21168 510.0 0.321 0.257 0.245 0.000 -0.027 0.000 3/21168 520.0 0.314 0.252 0.240 0.000 -0.026 0.000 3/21168 530.0 0.309 0.247 0.236 0.000 -0.026 0.000 3/21168 540.0 0.303 0.243 0.232 0.000 -0.025 0.000 3/21168 550.0 0.297 0.239 0.227 0.000 -0.025 0.000 3/21168 560.0 0.292 0.234 0.223 0.000 -0.024 0.000 3/21168 570.0 0.287 0.230 0.219 0.000 -0.024 0.000 3/21168 580.0 0.282 0.226 0.216 0.000 -0.023 0.000 3/21168 590.0 0.277 0.222 0.212 0.000 -0.023 0.000 3/21168 600.0 0.273 0.219 0.208 0.000 -0.023 0.000 3/21168 610.0 0.268 0.215 0.205 0.000 -0.022 0.000 3/21168 620.0 0.264 0.212 0.202 0.000 -0.022 0.000 3/21168 630.0 0.260 0.208 0.199 0.000 -0.021 0.000 3/21168 640.0 0.256 0.205 0.195 0.000 -0.021 0.000 3/21168 650.0 0.252 0.202 0.192 0.000 -0.021 0.000 3/21168 660.0 0.248 0.199 0.190 0.000 -0.020 0.000 3/21168 670.0 0.244 0.196 0.187 0.000 -0.020 0.000 3/21168 680.0 0.241 0.193 0.184 0.000 -0.020 0.000 3/21168 690.0 0.237 0.190 0.181 0.000 -0.020 0.000 3/21168 700.0 0.234 0.188 0.179 0.000 -0.019 0.000 3/21168 710.0 0.231 0.185 0.176 0.000 -0.019 0.000 3/21168 720.0 0.227 0.182 0.174 0.000 -0.019 0.000 3/21168 730.0 0.224 0.180 0.171 0.000 -0.018 0.000 3/21168 740.0 0.221 0.177 0.169 0.000 -0.018 0.000 3/21168 750.0 0.218 0.175 0.167 0.000 -0.018 0.000 3/21168 760.0 0.216 0.173 0.165 0.000 -0.018 0.000 3/21168 770.0 0.213 0.171 0.162 0.000 -0.017 0.000 3/21168 780.0 0.210 0.168 0.160 0.000 -0.017 0.000 3/21168 790.0 0.207 0.166 0.158 0.000 -0.017 0.000 3/21168 800.0 0.205 0.164 0.156 0.000 -0.017 0.000 3/21168 810.0 0.202 0.162 0.154 0.000 -0.017 0.000 3/21168 820.0 0.200 0.160 0.153 0.000 -0.016 0.000 3/21168 830.0 0.197 0.158 0.151 0.000 -0.016 0.000 3/21168 840.0 0.195 0.156 0.149 0.000 -0.016 0.000 3/21168 850.0 0.193 0.155 0.147 0.000 -0.016 0.000 3/21168 860.0 0.191 0.153 0.146 0.000 -0.016 0.000 3/21168 870.0 0.188 0.151 0.144 0.000 -0.015 0.000 3/21168 880.0 0.186 0.149 0.142 0.000 -0.015 0.000 3/21168 890.0 0.184 0.148 0.141 0.000 -0.015 0.000 3/21168 900.0 0.182 0.146 0.139 0.000 -0.015 0.000 3/21168 910.0 0.180 0.144 0.138 0.000 -0.015 0.000 3/21168 920.0 0.178 0.143 0.136 0.000 -0.015 0.000 3/21168 930.0 0.176 0.141 0.135 0.000 -0.014 0.000 3/21168 940.0 0.174 0.140 0.133 0.000 -0.014 0.000 3/21168 950.0 0.173 0.138 0.132 0.000 -0.014 0.000 3/21168 960.0 0.171 0.137 0.130 0.000 -0.014 0.000 3/21168 970.0 0.169 0.136 0.129 0.000 -0.014 0.000 3/21168 980.0 0.167 0.134 0.128 0.000 -0.014 0.000 3/21168 990.0 0.166 0.133 0.126 0.000 -0.014 0.000 3/21168 1000.0 0.164 0.132 0.125 0.000 -0.013 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:27:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|