----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:59:33]------------------------- 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 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.023413385062338 -5.051271360000000 0.000000000000000 b 3.023413385062338 5.051271360000000 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): *1 Sr 0.94929380783275 0.94929380783275 0.24387837257635 87.620 *2 Sr 0.81991067206525 0.18008932793475 0.00000000000000 87.620 3 Sr 0.18008932793475 0.81991067206525 0.00000000000000 87.620 *4 Sr 0.16650868076863 0.83349131923137 0.50000000000000 87.620 5 Sr 0.83349131923137 0.16650868076863 0.50000000000000 87.620 6 Sr 0.05070619216725 0.05070619216725 0.75612162742365 87.620 *7 Li 0.81232848908848 0.45078121247797 0.18101719653583 6.941 8 Li 0.18767151091152 0.54921878752204 0.81898280346417 6.941 9 Li 0.45078121247797 0.81232848908848 0.18101719653583 6.941 *10 Li 0.59802016866678 0.59802016866678 0.42023547840004 6.941 11 Li 0.54921878752203 0.18767151091152 0.81898280346417 6.941 12 Li 0.40197983133322 0.40197983133322 0.57976452159996 6.941 *13 Ga 0.48747970361200 0.81263322487445 0.68729559148174 69.723 14 Ga 0.81263322487445 0.48747970361200 0.68729559148174 69.723 15 Ga 0.51252029638800 0.18736677512555 0.31270440851826 69.723 *16 Ga 0.39017090920748 0.39017090920748 0.08830813734174 69.723 17 Ga 0.60982909079252 0.60982909079252 0.91169186265826 69.723 18 Ga 0.18736677512555 0.51252029638800 0.31270440851826 69.723 *19 N 0.45541197442351 0.13642293757994 0.15696072355171 14.007 *20 N 0.74797419964651 0.74797419964651 0.60768599014481 14.007 *21 N 0.50143471547486 0.14703503354755 0.64918909029534 14.007 22 N 0.25202580035349 0.25202580035349 0.39231400985519 14.007 23 N 0.13642293757994 0.45541197442351 0.15696072355171 14.007 24 N 0.54458802557649 0.86357706242006 0.84303927644829 14.007 25 N 0.85296496645245 0.49856528452514 0.35081090970466 14.007 26 N 0.14703503354755 0.50143471547486 0.64918909029534 14.007 *27 N 0.71960254741255 0.71960254741255 0.06724917121166 14.007 28 N 0.28039745258745 0.28039745258745 0.93275082878834 14.007 29 N 0.49856528452514 0.85296496645245 0.35081090970466 14.007 30 N 0.86357706242006 0.54458802557649 0.84303927644829 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.046826770124675 0.000000000000000 0.000000000000000 b 0.000000000000000 10.102542720000001 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): *1 Sr 0.94929380783275 0.00000000000000 0.24387837257635 87.620 > 1 *2 Sr 0.50000000000000 0.68008932793475 0.00000000000000 87.620 > 2 3 Sr 0.50000000000000 0.31991067206525 0.00000000000000 87.620 > 3 *4 Sr 0.50000000000000 0.33349131923137 0.50000000000000 87.620 > 4 5 Sr 0.50000000000000 0.66650868076863 0.50000000000000 87.620 > 5 6 Sr 0.05070619216725 0.00000000000000 0.75612162742365 87.620 > 6 7 Sr 0.44929380783275 0.50000000000000 0.24387837257635 87.620 > 1 8 Sr 0.00000000000000 0.18008932793475 0.00000000000000 87.620 > 2 9 Sr 0.00000000000000 0.81991067206525 0.00000000000000 87.620 > 3 10 Sr 0.00000000000000 0.83349131923137 0.50000000000000 87.620 > 4 11 Sr 0.00000000000000 0.16650868076863 0.50000000000000 87.620 > 5 12 Sr 0.55070619216725 0.50000000000000 0.75612162742365 87.620 > 6 *13 Li 0.63155485078322 0.81922636169474 0.18101719653583 6.941 > 7 14 Li 0.36844514921678 0.18077363830526 0.81898280346417 6.941 > 8 15 Li 0.63155485078322 0.18077363830526 0.18101719653583 6.941 > 9 *16 Li 0.59802016866678 0.00000000000000 0.42023547840004 6.941 > 10 17 Li 0.36844514921678 0.81922636169474 0.81898280346417 6.941 > 11 18 Li 0.40197983133322 0.00000000000000 0.57976452159996 6.941 > 12 19 Li 0.13155485078322 0.31922636169474 0.18101719653583 6.941 > 7 20 Li 0.86844514921678 0.68077363830526 0.81898280346417 6.941 > 8 21 Li 0.13155485078322 0.68077363830526 0.18101719653583 6.941 > 9 22 Li 0.09802016866678 0.50000000000000 0.42023547840004 6.941 > 10 23 Li 0.86844514921678 0.31922636169474 0.81898280346417 6.941 > 11 24 Li 0.90197983133322 0.50000000000000 0.57976452159996 6.941 > 12 *25 Ga 0.65005646424322 0.16257676063122 0.68729559148174 69.723 > 13 26 Ga 0.65005646424322 0.83742323936878 0.68729559148174 69.723 > 14 27 Ga 0.34994353575678 0.83742323936878 0.31270440851826 69.723 > 15 *28 Ga 0.39017090920748 0.00000000000000 0.08830813734174 69.723 > 16 29 Ga 0.60982909079252 0.00000000000000 0.91169186265826 69.723 > 17 30 Ga 0.34994353575678 0.16257676063122 0.31270440851826 69.723 > 18 31 Ga 0.15005646424322 0.66257676063122 0.68729559148174 69.723 > 13 32 Ga 0.15005646424322 0.33742323936878 0.68729559148174 69.723 > 14 33 Ga 0.84994353575678 0.33742323936878 0.31270440851826 69.723 > 15 34 Ga 0.89017090920748 0.50000000000000 0.08830813734174 69.723 > 16 35 Ga 0.10982909079252 0.50000000000000 0.91169186265826 69.723 > 17 36 Ga 0.84994353575678 0.66257676063122 0.31270440851826 69.723 > 18 *37 N 0.29591745600172 0.84050548157822 0.15696072355171 14.007 > 19 *38 N 0.74797419964651 0.00000000000000 0.60768599014481 14.007 > 20 *39 N 0.32423487451120 0.82280015903635 0.64918909029534 14.007 > 21 40 N 0.25202580035349 0.00000000000000 0.39231400985519 14.007 > 22 41 N 0.29591745600172 0.15949451842178 0.15696072355171 14.007 > 23 42 N 0.70408254399828 0.15949451842178 0.84303927644829 14.007 > 24 43 N 0.67576512548880 0.82280015903635 0.35081090970466 14.007 > 25 44 N 0.32423487451120 0.17719984096365 0.64918909029534 14.007 > 26 *45 N 0.71960254741255 0.00000000000000 0.06724917121166 14.007 > 27 46 N 0.28039745258745 0.00000000000000 0.93275082878834 14.007 > 28 47 N 0.67576512548880 0.17719984096365 0.35081090970466 14.007 > 29 48 N 0.70408254399828 0.84050548157822 0.84303927644829 14.007 > 30 49 N 0.79591745600172 0.34050548157822 0.15696072355171 14.007 > 19 50 N 0.24797419964651 0.50000000000000 0.60768599014481 14.007 > 20 51 N 0.82423487451120 0.32280015903635 0.64918909029534 14.007 > 21 52 N 0.75202580035349 0.50000000000000 0.39231400985519 14.007 > 22 53 N 0.79591745600172 0.65949451842178 0.15696072355171 14.007 > 23 54 N 0.20408254399828 0.65949451842178 0.84303927644829 14.007 > 24 55 N 0.17576512548880 0.32280015903635 0.35081090970466 14.007 > 25 56 N 0.82423487451120 0.67719984096365 0.64918909029534 14.007 > 26 57 N 0.21960254741255 0.50000000000000 0.06724917121166 14.007 > 27 58 N 0.78039745258745 0.50000000000000 0.93275082878834 14.007 > 28 59 N 0.17576512548880 0.67719984096365 0.35081090970466 14.007 > 29 60 N 0.20408254399828 0.34050548157822 0.84303927644829 14.007 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.093653540249351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.102542720000001 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): *1 Sr 0.47464690391637 0.00000000000000 0.24387837257635 87.620 > 1 2 Sr 0.97464690391637 0.00000000000000 0.24387837257635 87.620 > 1 *3 Sr 0.25000000000000 0.68008932793475 0.00000000000000 87.620 > 2 4 Sr 0.75000000000000 0.68008932793475 0.00000000000000 87.620 > 2 5 Sr 0.25000000000000 0.31991067206525 0.00000000000000 87.620 > 3 6 Sr 0.75000000000000 0.31991067206525 0.00000000000000 87.620 > 3 *7 Sr 0.25000000000000 0.33349131923137 0.50000000000000 87.620 > 4 8 Sr 0.75000000000000 0.33349131923137 0.50000000000000 87.620 > 4 9 Sr 0.25000000000000 0.66650868076863 0.50000000000000 87.620 > 5 10 Sr 0.75000000000000 0.66650868076863 0.50000000000000 87.620 > 5 11 Sr 0.02535309608363 0.00000000000000 0.75612162742365 87.620 > 6 12 Sr 0.52535309608363 0.00000000000000 0.75612162742365 87.620 > 6 13 Sr 0.22464690391638 0.50000000000000 0.24387837257635 87.620 > 1 14 Sr 0.72464690391637 0.50000000000000 0.24387837257635 87.620 > 1 15 Sr 0.00000000000000 0.18008932793475 0.00000000000000 87.620 > 2 16 Sr 0.50000000000000 0.18008932793475 0.00000000000000 87.620 > 2 17 Sr 0.00000000000000 0.81991067206525 0.00000000000000 87.620 > 3 18 Sr 0.50000000000000 0.81991067206525 0.00000000000000 87.620 > 3 19 Sr 0.00000000000000 0.83349131923137 0.50000000000000 87.620 > 4 20 Sr 0.50000000000000 0.83349131923137 0.50000000000000 87.620 > 4 21 Sr 0.00000000000000 0.16650868076863 0.50000000000000 87.620 > 5 22 Sr 0.50000000000000 0.16650868076863 0.50000000000000 87.620 > 5 23 Sr 0.27535309608363 0.50000000000000 0.75612162742365 87.620 > 6 24 Sr 0.77535309608363 0.50000000000000 0.75612162742365 87.620 > 6 *25 Li 0.31577742539161 0.81922636169474 0.18101719653583 6.941 > 7 26 Li 0.81577742539161 0.81922636169474 0.18101719653583 6.941 > 7 27 Li 0.18422257460839 0.18077363830526 0.81898280346417 6.941 > 8 28 Li 0.68422257460839 0.18077363830526 0.81898280346417 6.941 > 8 29 Li 0.31577742539161 0.18077363830526 0.18101719653583 6.941 > 9 30 Li 0.81577742539161 0.18077363830526 0.18101719653583 6.941 > 9 *31 Li 0.29901008433339 0.00000000000000 0.42023547840004 6.941 > 10 32 Li 0.79901008433339 0.00000000000000 0.42023547840004 6.941 > 10 33 Li 0.18422257460839 0.81922636169474 0.81898280346417 6.941 > 11 34 Li 0.68422257460839 0.81922636169474 0.81898280346417 6.941 > 11 35 Li 0.20098991566661 0.00000000000000 0.57976452159996 6.941 > 12 36 Li 0.70098991566661 0.00000000000000 0.57976452159996 6.941 > 12 37 Li 0.06577742539161 0.31922636169474 0.18101719653583 6.941 > 7 38 Li 0.56577742539161 0.31922636169474 0.18101719653583 6.941 > 7 39 Li 0.43422257460839 0.68077363830526 0.81898280346417 6.941 > 8 40 Li 0.93422257460839 0.68077363830526 0.81898280346417 6.941 > 8 41 Li 0.06577742539161 0.68077363830526 0.18101719653583 6.941 > 9 42 Li 0.56577742539161 0.68077363830526 0.18101719653583 6.941 > 9 43 Li 0.04901008433339 0.50000000000000 0.42023547840004 6.941 > 10 44 Li 0.54901008433339 0.50000000000000 0.42023547840004 6.941 > 10 45 Li 0.43422257460839 0.31922636169474 0.81898280346417 6.941 > 11 46 Li 0.93422257460839 0.31922636169474 0.81898280346417 6.941 > 11 47 Li 0.45098991566661 0.50000000000000 0.57976452159996 6.941 > 12 48 Li 0.95098991566661 0.50000000000000 0.57976452159996 6.941 > 12 *49 Ga 0.32502823212161 0.16257676063122 0.68729559148174 69.723 > 13 50 Ga 0.82502823212161 0.16257676063122 0.68729559148174 69.723 > 13 51 Ga 0.32502823212161 0.83742323936878 0.68729559148174 69.723 > 14 52 Ga 0.82502823212161 0.83742323936878 0.68729559148174 69.723 > 14 53 Ga 0.17497176787839 0.83742323936878 0.31270440851826 69.723 > 15 54 Ga 0.67497176787839 0.83742323936878 0.31270440851826 69.723 > 15 *55 Ga 0.19508545460374 0.00000000000000 0.08830813734174 69.723 > 16 56 Ga 0.69508545460374 0.00000000000000 0.08830813734174 69.723 > 16 57 Ga 0.30491454539626 0.00000000000000 0.91169186265826 69.723 > 17 58 Ga 0.80491454539626 0.00000000000000 0.91169186265826 69.723 > 17 59 Ga 0.17497176787839 0.16257676063122 0.31270440851826 69.723 > 18 60 Ga 0.67497176787839 0.16257676063122 0.31270440851826 69.723 > 18 61 Ga 0.07502823212161 0.66257676063122 0.68729559148174 69.723 > 13 62 Ga 0.57502823212161 0.66257676063122 0.68729559148174 69.723 > 13 63 Ga 0.07502823212161 0.33742323936878 0.68729559148174 69.723 > 14 64 Ga 0.57502823212161 0.33742323936878 0.68729559148174 69.723 > 14 65 Ga 0.42497176787839 0.33742323936878 0.31270440851826 69.723 > 15 66 Ga 0.92497176787839 0.33742323936878 0.31270440851826 69.723 > 15 67 Ga 0.44508545460374 0.50000000000000 0.08830813734174 69.723 > 16 68 Ga 0.94508545460374 0.50000000000000 0.08830813734174 69.723 > 16 69 Ga 0.05491454539626 0.50000000000000 0.91169186265826 69.723 > 17 70 Ga 0.55491454539626 0.50000000000000 0.91169186265826 69.723 > 17 71 Ga 0.42497176787839 0.66257676063122 0.31270440851826 69.723 > 18 72 Ga 0.92497176787839 0.66257676063122 0.31270440851826 69.723 > 18 *73 N 0.14795872800086 0.84050548157822 0.15696072355171 14.007 > 19 74 N 0.64795872800086 0.84050548157822 0.15696072355171 14.007 > 19 *75 N 0.37398709982326 0.00000000000000 0.60768599014481 14.007 > 20 76 N 0.87398709982326 0.00000000000000 0.60768599014481 14.007 > 20 *77 N 0.16211743725560 0.82280015903635 0.64918909029534 14.007 > 21 78 N 0.66211743725560 0.82280015903635 0.64918909029534 14.007 > 21 79 N 0.12601290017674 0.00000000000000 0.39231400985519 14.007 > 22 80 N 0.62601290017674 0.00000000000000 0.39231400985519 14.007 > 22 81 N 0.14795872800086 0.15949451842178 0.15696072355171 14.007 > 23 82 N 0.64795872800086 0.15949451842178 0.15696072355171 14.007 > 23 83 N 0.35204127199914 0.15949451842178 0.84303927644829 14.007 > 24 84 N 0.85204127199914 0.15949451842178 0.84303927644829 14.007 > 24 85 N 0.33788256274440 0.82280015903635 0.35081090970466 14.007 > 25 86 N 0.83788256274440 0.82280015903635 0.35081090970466 14.007 > 25 87 N 0.16211743725560 0.17719984096365 0.64918909029534 14.007 > 26 88 N 0.66211743725560 0.17719984096365 0.64918909029534 14.007 > 26 *89 N 0.35980127370628 0.00000000000000 0.06724917121166 14.007 > 27 90 N 0.85980127370628 0.00000000000000 0.06724917121166 14.007 > 27 91 N 0.14019872629372 0.00000000000000 0.93275082878834 14.007 > 28 92 N 0.64019872629372 0.00000000000000 0.93275082878834 14.007 > 28 93 N 0.33788256274440 0.17719984096365 0.35081090970466 14.007 > 29 94 N 0.83788256274440 0.17719984096365 0.35081090970466 14.007 > 29 95 N 0.35204127199914 0.84050548157822 0.84303927644829 14.007 > 30 96 N 0.85204127199914 0.84050548157822 0.84303927644829 14.007 > 30 97 N 0.39795872800086 0.34050548157822 0.15696072355171 14.007 > 19 98 N 0.89795872800086 0.34050548157822 0.15696072355171 14.007 > 19 99 N 0.12398709982326 0.50000000000000 0.60768599014481 14.007 > 20 100 N 0.62398709982326 0.50000000000000 0.60768599014481 14.007 > 20 101 N 0.41211743725560 0.32280015903635 0.64918909029534 14.007 > 21 102 N 0.91211743725560 0.32280015903635 0.64918909029534 14.007 > 21 103 N 0.37601290017674 0.50000000000000 0.39231400985519 14.007 > 22 104 N 0.87601290017674 0.50000000000000 0.39231400985519 14.007 > 22 105 N 0.39795872800086 0.65949451842178 0.15696072355171 14.007 > 23 106 N 0.89795872800086 0.65949451842178 0.15696072355171 14.007 > 23 107 N 0.10204127199914 0.65949451842178 0.84303927644829 14.007 > 24 108 N 0.60204127199914 0.65949451842178 0.84303927644829 14.007 > 24 109 N 0.08788256274440 0.32280015903635 0.35081090970466 14.007 > 25 110 N 0.58788256274440 0.32280015903635 0.35081090970466 14.007 > 25 111 N 0.41211743725560 0.67719984096365 0.64918909029534 14.007 > 26 112 N 0.91211743725560 0.67719984096365 0.64918909029534 14.007 > 26 113 N 0.10980127370628 0.50000000000000 0.06724917121166 14.007 > 27 114 N 0.60980127370628 0.50000000000000 0.06724917121166 14.007 > 27 115 N 0.39019872629372 0.50000000000000 0.93275082878834 14.007 > 28 116 N 0.89019872629372 0.50000000000000 0.93275082878834 14.007 > 28 117 N 0.08788256274440 0.67719984096365 0.35081090970466 14.007 > 29 118 N 0.58788256274440 0.67719984096365 0.35081090970466 14.007 > 29 119 N 0.10204127199914 0.34050548157822 0.84303927644829 14.007 > 30 120 N 0.60204127199914 0.34050548157822 0.84303927644829 14.007 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2425238 0.0000000 0.0335232 0.0000000 6.0829073 0.0000000 0.0333995 0.0000000 6.1275188 -------------------------- Born effective charges -------------------------- 1 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 2 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 3 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 4 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 5 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 6 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 7 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 8 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 9 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 10 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 11 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 12 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 13 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 14 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 15 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 16 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 17 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 18 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 19 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 20 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 21 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 22 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 23 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 24 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 25 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 26 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 27 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 28 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 29 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 30 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 18558/18558 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4239 Number of blocks in projector: 4239 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: 1008 Use submatrix version of eigh solver. (1) Block: 500 / 1008 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1008 / 1008 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 247 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 792 / 792 (1) 284 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 792 / 792 (1) 284 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4239, 4169), data: False |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (792, 784), data: False |-- (792, 8), data: (792, 16) @ (16, 8) |-- (292, 284), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (792, 784), data: False |-- (792, 8), data: (792, 16) @ (16, 8) |-- (292, 284), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (1008, 987), data: False |-- (1008, 15), data: (1008, 36) @ (36, 15) |-- (508, 493), data: False |-- (508, 11), data: (508, 26) @ (26, 11) |-- (258, 247), data: True |-- (250, 235), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 229), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.306 Solver_block: 200 / 960 - Time: 1.050 Solver_block: 300 / 960 - Time: 0.997 Solver_block: 400 / 960 - Time: 1.140 Solver_block: 500 / 960 - Time: 1.098 Solver_block: 600 / 960 - Time: 1.080 Solver_block: 700 / 960 - Time: 1.040 Solver_block: 800 / 960 - Time: 1.079 Solver_block: 900 / 960 - Time: 0.969 Solver_block: 960 / 960 - Time: 0.688 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.981 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 18558/18558 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4239 Number of blocks in projector: 4239 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: 1008 Use submatrix version of eigh solver. (1) Block: 500 / 1008 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1008 / 1008 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 247 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 792 / 792 (1) 284 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 792 / 792 (1) 284 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 549 Use submatrix version of eigh solver. (1) Block: 549 / 549 (2) Block: 250 / 549 (2) 239 eigenvectors found. (2) Block: 549 / 549 (2) 288 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 538 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4239, 4169), data: False |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (549, 538), data: False |-- (549, 538), data: False |-- (549, 11), data: (549, 22) @ (22, 11) |-- (299, 288), data: True |-- (250, 239), data: True |-- (792, 784), data: False |-- (792, 8), data: (792, 16) @ (16, 8) |-- (292, 284), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (792, 784), data: False |-- (792, 8), data: (792, 16) @ (16, 8) |-- (292, 284), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (1008, 987), data: False |-- (1008, 15), data: (1008, 36) @ (36, 15) |-- (508, 493), data: False |-- (508, 11), data: (508, 26) @ (26, 11) |-- (258, 247), data: True |-- (250, 235), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 229), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:00:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:00:33]------------------------- 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 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.023413385062338 -5.051271360000000 0.000000000000000 b 3.023413385062338 5.051271360000000 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): 1 Sr 0.94929380783275 0.94929380783275 0.24387837257635 87.620 2 Sr 0.81991067206525 0.18008932793475 0.00000000000000 87.620 3 Sr 0.18008932793475 0.81991067206525 0.00000000000000 87.620 4 Sr 0.16650868076863 0.83349131923137 0.50000000000000 87.620 5 Sr 0.83349131923137 0.16650868076863 0.50000000000000 87.620 6 Sr 0.05070619216725 0.05070619216725 0.75612162742365 87.620 7 Li 0.81232848908848 0.45078121247797 0.18101719653583 6.941 8 Li 0.18767151091152 0.54921878752204 0.81898280346417 6.941 9 Li 0.45078121247797 0.81232848908848 0.18101719653583 6.941 10 Li 0.59802016866678 0.59802016866678 0.42023547840004 6.941 11 Li 0.54921878752203 0.18767151091152 0.81898280346417 6.941 12 Li 0.40197983133322 0.40197983133322 0.57976452159996 6.941 13 Ga 0.48747970361200 0.81263322487445 0.68729559148174 69.723 14 Ga 0.81263322487445 0.48747970361200 0.68729559148174 69.723 15 Ga 0.51252029638800 0.18736677512555 0.31270440851826 69.723 16 Ga 0.39017090920748 0.39017090920748 0.08830813734174 69.723 17 Ga 0.60982909079252 0.60982909079252 0.91169186265826 69.723 18 Ga 0.18736677512555 0.51252029638800 0.31270440851826 69.723 19 N 0.45541197442351 0.13642293757994 0.15696072355171 14.007 20 N 0.74797419964651 0.74797419964651 0.60768599014481 14.007 21 N 0.50143471547486 0.14703503354755 0.64918909029534 14.007 22 N 0.25202580035349 0.25202580035349 0.39231400985519 14.007 23 N 0.13642293757994 0.45541197442351 0.15696072355171 14.007 24 N 0.54458802557649 0.86357706242006 0.84303927644829 14.007 25 N 0.85296496645245 0.49856528452514 0.35081090970466 14.007 26 N 0.14703503354755 0.50143471547486 0.64918909029534 14.007 27 N 0.71960254741255 0.71960254741255 0.06724917121166 14.007 28 N 0.28039745258745 0.28039745258745 0.93275082878834 14.007 29 N 0.49856528452514 0.85296496645245 0.35081090970466 14.007 30 N 0.86357706242006 0.54458802557649 0.84303927644829 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.093653540249351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.102542720000001 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): 1 Sr 0.47464690391637 0.00000000000000 0.24387837257635 87.620 > 1 2 Sr 0.97464690391637 0.00000000000000 0.24387837257635 87.620 > 1 3 Sr 0.25000000000000 0.68008932793475 0.00000000000000 87.620 > 3 4 Sr 0.75000000000000 0.68008932793475 0.00000000000000 87.620 > 3 5 Sr 0.25000000000000 0.31991067206525 0.00000000000000 87.620 > 5 6 Sr 0.75000000000000 0.31991067206525 0.00000000000000 87.620 > 5 7 Sr 0.25000000000000 0.33349131923137 0.50000000000000 87.620 > 7 8 Sr 0.75000000000000 0.33349131923137 0.50000000000000 87.620 > 7 9 Sr 0.25000000000000 0.66650868076863 0.50000000000000 87.620 > 9 10 Sr 0.75000000000000 0.66650868076863 0.50000000000000 87.620 > 9 11 Sr 0.02535309608363 0.00000000000000 0.75612162742365 87.620 > 11 12 Sr 0.52535309608363 0.00000000000000 0.75612162742365 87.620 > 11 13 Sr 0.22464690391638 0.50000000000000 0.24387837257635 87.620 > 1 14 Sr 0.72464690391637 0.50000000000000 0.24387837257635 87.620 > 1 15 Sr 0.00000000000000 0.18008932793475 0.00000000000000 87.620 > 3 16 Sr 0.50000000000000 0.18008932793475 0.00000000000000 87.620 > 3 17 Sr 0.00000000000000 0.81991067206525 0.00000000000000 87.620 > 5 18 Sr 0.50000000000000 0.81991067206525 0.00000000000000 87.620 > 5 19 Sr 0.00000000000000 0.83349131923137 0.50000000000000 87.620 > 7 20 Sr 0.50000000000000 0.83349131923137 0.50000000000000 87.620 > 7 21 Sr 0.00000000000000 0.16650868076863 0.50000000000000 87.620 > 9 22 Sr 0.50000000000000 0.16650868076863 0.50000000000000 87.620 > 9 23 Sr 0.27535309608363 0.50000000000000 0.75612162742365 87.620 > 11 24 Sr 0.77535309608363 0.50000000000000 0.75612162742365 87.620 > 11 25 Li 0.31577742539161 0.81922636169474 0.18101719653583 6.941 > 25 26 Li 0.81577742539161 0.81922636169474 0.18101719653583 6.941 > 25 27 Li 0.18422257460839 0.18077363830526 0.81898280346417 6.941 > 27 28 Li 0.68422257460839 0.18077363830526 0.81898280346417 6.941 > 27 29 Li 0.31577742539161 0.18077363830526 0.18101719653583 6.941 > 29 30 Li 0.81577742539161 0.18077363830526 0.18101719653583 6.941 > 29 31 Li 0.29901008433339 0.00000000000000 0.42023547840004 6.941 > 31 32 Li 0.79901008433339 0.00000000000000 0.42023547840004 6.941 > 31 33 Li 0.18422257460839 0.81922636169474 0.81898280346417 6.941 > 33 34 Li 0.68422257460839 0.81922636169474 0.81898280346417 6.941 > 33 35 Li 0.20098991566661 0.00000000000000 0.57976452159996 6.941 > 35 36 Li 0.70098991566661 0.00000000000000 0.57976452159996 6.941 > 35 37 Li 0.06577742539161 0.31922636169474 0.18101719653583 6.941 > 25 38 Li 0.56577742539161 0.31922636169474 0.18101719653583 6.941 > 25 39 Li 0.43422257460839 0.68077363830526 0.81898280346417 6.941 > 27 40 Li 0.93422257460839 0.68077363830526 0.81898280346417 6.941 > 27 41 Li 0.06577742539161 0.68077363830526 0.18101719653583 6.941 > 29 42 Li 0.56577742539161 0.68077363830526 0.18101719653583 6.941 > 29 43 Li 0.04901008433339 0.50000000000000 0.42023547840004 6.941 > 31 44 Li 0.54901008433339 0.50000000000000 0.42023547840004 6.941 > 31 45 Li 0.43422257460839 0.31922636169474 0.81898280346417 6.941 > 33 46 Li 0.93422257460839 0.31922636169474 0.81898280346417 6.941 > 33 47 Li 0.45098991566661 0.50000000000000 0.57976452159996 6.941 > 35 48 Li 0.95098991566661 0.50000000000000 0.57976452159996 6.941 > 35 49 Ga 0.32502823212161 0.16257676063122 0.68729559148174 69.723 > 49 50 Ga 0.82502823212161 0.16257676063122 0.68729559148174 69.723 > 49 51 Ga 0.32502823212161 0.83742323936878 0.68729559148174 69.723 > 51 52 Ga 0.82502823212161 0.83742323936878 0.68729559148174 69.723 > 51 53 Ga 0.17497176787839 0.83742323936878 0.31270440851826 69.723 > 53 54 Ga 0.67497176787839 0.83742323936878 0.31270440851826 69.723 > 53 55 Ga 0.19508545460374 0.00000000000000 0.08830813734174 69.723 > 55 56 Ga 0.69508545460374 0.00000000000000 0.08830813734174 69.723 > 55 57 Ga 0.30491454539626 0.00000000000000 0.91169186265826 69.723 > 57 58 Ga 0.80491454539626 0.00000000000000 0.91169186265826 69.723 > 57 59 Ga 0.17497176787839 0.16257676063122 0.31270440851826 69.723 > 59 60 Ga 0.67497176787839 0.16257676063122 0.31270440851826 69.723 > 59 61 Ga 0.07502823212161 0.66257676063122 0.68729559148174 69.723 > 49 62 Ga 0.57502823212161 0.66257676063122 0.68729559148174 69.723 > 49 63 Ga 0.07502823212161 0.33742323936878 0.68729559148174 69.723 > 51 64 Ga 0.57502823212161 0.33742323936878 0.68729559148174 69.723 > 51 65 Ga 0.42497176787839 0.33742323936878 0.31270440851826 69.723 > 53 66 Ga 0.92497176787839 0.33742323936878 0.31270440851826 69.723 > 53 67 Ga 0.44508545460374 0.50000000000000 0.08830813734174 69.723 > 55 68 Ga 0.94508545460374 0.50000000000000 0.08830813734174 69.723 > 55 69 Ga 0.05491454539626 0.50000000000000 0.91169186265826 69.723 > 57 70 Ga 0.55491454539626 0.50000000000000 0.91169186265826 69.723 > 57 71 Ga 0.42497176787839 0.66257676063122 0.31270440851826 69.723 > 59 72 Ga 0.92497176787839 0.66257676063122 0.31270440851826 69.723 > 59 73 N 0.14795872800086 0.84050548157822 0.15696072355171 14.007 > 73 74 N 0.64795872800086 0.84050548157822 0.15696072355171 14.007 > 73 75 N 0.37398709982326 0.00000000000000 0.60768599014481 14.007 > 75 76 N 0.87398709982326 0.00000000000000 0.60768599014481 14.007 > 75 77 N 0.16211743725560 0.82280015903635 0.64918909029534 14.007 > 77 78 N 0.66211743725560 0.82280015903635 0.64918909029534 14.007 > 77 79 N 0.12601290017674 0.00000000000000 0.39231400985519 14.007 > 79 80 N 0.62601290017674 0.00000000000000 0.39231400985519 14.007 > 79 81 N 0.14795872800086 0.15949451842178 0.15696072355171 14.007 > 81 82 N 0.64795872800086 0.15949451842178 0.15696072355171 14.007 > 81 83 N 0.35204127199914 0.15949451842178 0.84303927644829 14.007 > 83 84 N 0.85204127199914 0.15949451842178 0.84303927644829 14.007 > 83 85 N 0.33788256274440 0.82280015903635 0.35081090970466 14.007 > 85 86 N 0.83788256274440 0.82280015903635 0.35081090970466 14.007 > 85 87 N 0.16211743725560 0.17719984096365 0.64918909029534 14.007 > 87 88 N 0.66211743725560 0.17719984096365 0.64918909029534 14.007 > 87 89 N 0.35980127370628 0.00000000000000 0.06724917121166 14.007 > 89 90 N 0.85980127370628 0.00000000000000 0.06724917121166 14.007 > 89 91 N 0.14019872629372 0.00000000000000 0.93275082878834 14.007 > 91 92 N 0.64019872629372 0.00000000000000 0.93275082878834 14.007 > 91 93 N 0.33788256274440 0.17719984096365 0.35081090970466 14.007 > 93 94 N 0.83788256274440 0.17719984096365 0.35081090970466 14.007 > 93 95 N 0.35204127199914 0.84050548157822 0.84303927644829 14.007 > 95 96 N 0.85204127199914 0.84050548157822 0.84303927644829 14.007 > 95 97 N 0.39795872800086 0.34050548157822 0.15696072355171 14.007 > 73 98 N 0.89795872800086 0.34050548157822 0.15696072355171 14.007 > 73 99 N 0.12398709982326 0.50000000000000 0.60768599014481 14.007 > 75 100 N 0.62398709982326 0.50000000000000 0.60768599014481 14.007 > 75 101 N 0.41211743725560 0.32280015903635 0.64918909029534 14.007 > 77 102 N 0.91211743725560 0.32280015903635 0.64918909029534 14.007 > 77 103 N 0.37601290017674 0.50000000000000 0.39231400985519 14.007 > 79 104 N 0.87601290017674 0.50000000000000 0.39231400985519 14.007 > 79 105 N 0.39795872800086 0.65949451842178 0.15696072355171 14.007 > 81 106 N 0.89795872800086 0.65949451842178 0.15696072355171 14.007 > 81 107 N 0.10204127199914 0.65949451842178 0.84303927644829 14.007 > 83 108 N 0.60204127199914 0.65949451842178 0.84303927644829 14.007 > 83 109 N 0.08788256274440 0.32280015903635 0.35081090970466 14.007 > 85 110 N 0.58788256274440 0.32280015903635 0.35081090970466 14.007 > 85 111 N 0.41211743725560 0.67719984096365 0.64918909029534 14.007 > 87 112 N 0.91211743725560 0.67719984096365 0.64918909029534 14.007 > 87 113 N 0.10980127370628 0.50000000000000 0.06724917121166 14.007 > 89 114 N 0.60980127370628 0.50000000000000 0.06724917121166 14.007 > 89 115 N 0.39019872629372 0.50000000000000 0.93275082878834 14.007 > 91 116 N 0.89019872629372 0.50000000000000 0.93275082878834 14.007 > 91 117 N 0.08788256274440 0.67719984096365 0.35081090970466 14.007 > 93 118 N 0.58788256274440 0.67719984096365 0.35081090970466 14.007 > 93 119 N 0.10204127199914 0.34050548157822 0.84303927644829 14.007 > 95 120 N 0.60204127199914 0.34050548157822 0.84303927644829 14.007 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2425238 0.0000000 0.0335232 0.0000000 6.0829073 0.0000000 0.0333995 0.0000000 6.1275188 -------------------------- Born effective charges -------------------------- 1 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 2 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 3 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 4 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 5 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 6 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 7 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 8 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 9 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 10 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 11 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 12 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 13 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 14 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 15 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 16 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 17 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 18 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 19 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 20 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 21 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 22 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 23 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 24 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 25 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 26 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 27 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 28 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 29 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 30 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 75, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 77, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 18:01:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:01:20]------------------------- 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 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.023413385062338 -5.051271360000000 0.000000000000000 b 3.023413385062338 5.051271360000000 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): 1 Sr 0.94929380783275 0.94929380783275 0.24387837257635 87.620 2 Sr 0.81991067206525 0.18008932793475 0.00000000000000 87.620 3 Sr 0.18008932793475 0.81991067206525 0.00000000000000 87.620 4 Sr 0.16650868076863 0.83349131923137 0.50000000000000 87.620 5 Sr 0.83349131923137 0.16650868076863 0.50000000000000 87.620 6 Sr 0.05070619216725 0.05070619216725 0.75612162742365 87.620 7 Li 0.81232848908848 0.45078121247797 0.18101719653583 6.941 8 Li 0.18767151091152 0.54921878752204 0.81898280346417 6.941 9 Li 0.45078121247797 0.81232848908848 0.18101719653583 6.941 10 Li 0.59802016866678 0.59802016866678 0.42023547840004 6.941 11 Li 0.54921878752203 0.18767151091152 0.81898280346417 6.941 12 Li 0.40197983133322 0.40197983133322 0.57976452159996 6.941 13 Ga 0.48747970361200 0.81263322487445 0.68729559148174 69.723 14 Ga 0.81263322487445 0.48747970361200 0.68729559148174 69.723 15 Ga 0.51252029638800 0.18736677512555 0.31270440851826 69.723 16 Ga 0.39017090920748 0.39017090920748 0.08830813734174 69.723 17 Ga 0.60982909079252 0.60982909079252 0.91169186265826 69.723 18 Ga 0.18736677512555 0.51252029638800 0.31270440851826 69.723 19 N 0.45541197442351 0.13642293757994 0.15696072355171 14.007 20 N 0.74797419964651 0.74797419964651 0.60768599014481 14.007 21 N 0.50143471547486 0.14703503354755 0.64918909029534 14.007 22 N 0.25202580035349 0.25202580035349 0.39231400985519 14.007 23 N 0.13642293757994 0.45541197442351 0.15696072355171 14.007 24 N 0.54458802557649 0.86357706242006 0.84303927644829 14.007 25 N 0.85296496645245 0.49856528452514 0.35081090970466 14.007 26 N 0.14703503354755 0.50143471547486 0.64918909029534 14.007 27 N 0.71960254741255 0.71960254741255 0.06724917121166 14.007 28 N 0.28039745258745 0.28039745258745 0.93275082878834 14.007 29 N 0.49856528452514 0.85296496645245 0.35081090970466 14.007 30 N 0.86357706242006 0.54458802557649 0.84303927644829 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.093653540249351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.102542720000001 0.000000000000000 c -0.279373994067779 0.000000000000000 12.572655964273276 Atomic positions (fractional): 1 Sr 0.47464690391637 0.00000000000000 0.24387837257635 87.620 > 1 2 Sr 0.97464690391637 0.00000000000000 0.24387837257635 87.620 > 1 3 Sr 0.25000000000000 0.68008932793475 0.00000000000000 87.620 > 3 4 Sr 0.75000000000000 0.68008932793475 0.00000000000000 87.620 > 3 5 Sr 0.25000000000000 0.31991067206525 0.00000000000000 87.620 > 5 6 Sr 0.75000000000000 0.31991067206525 0.00000000000000 87.620 > 5 7 Sr 0.25000000000000 0.33349131923137 0.50000000000000 87.620 > 7 8 Sr 0.75000000000000 0.33349131923137 0.50000000000000 87.620 > 7 9 Sr 0.25000000000000 0.66650868076863 0.50000000000000 87.620 > 9 10 Sr 0.75000000000000 0.66650868076863 0.50000000000000 87.620 > 9 11 Sr 0.02535309608363 0.00000000000000 0.75612162742365 87.620 > 11 12 Sr 0.52535309608363 0.00000000000000 0.75612162742365 87.620 > 11 13 Sr 0.22464690391638 0.50000000000000 0.24387837257635 87.620 > 1 14 Sr 0.72464690391637 0.50000000000000 0.24387837257635 87.620 > 1 15 Sr 0.00000000000000 0.18008932793475 0.00000000000000 87.620 > 3 16 Sr 0.50000000000000 0.18008932793475 0.00000000000000 87.620 > 3 17 Sr 0.00000000000000 0.81991067206525 0.00000000000000 87.620 > 5 18 Sr 0.50000000000000 0.81991067206525 0.00000000000000 87.620 > 5 19 Sr 0.00000000000000 0.83349131923137 0.50000000000000 87.620 > 7 20 Sr 0.50000000000000 0.83349131923137 0.50000000000000 87.620 > 7 21 Sr 0.00000000000000 0.16650868076863 0.50000000000000 87.620 > 9 22 Sr 0.50000000000000 0.16650868076863 0.50000000000000 87.620 > 9 23 Sr 0.27535309608363 0.50000000000000 0.75612162742365 87.620 > 11 24 Sr 0.77535309608363 0.50000000000000 0.75612162742365 87.620 > 11 25 Li 0.31577742539161 0.81922636169474 0.18101719653583 6.941 > 25 26 Li 0.81577742539161 0.81922636169474 0.18101719653583 6.941 > 25 27 Li 0.18422257460839 0.18077363830526 0.81898280346417 6.941 > 27 28 Li 0.68422257460839 0.18077363830526 0.81898280346417 6.941 > 27 29 Li 0.31577742539161 0.18077363830526 0.18101719653583 6.941 > 29 30 Li 0.81577742539161 0.18077363830526 0.18101719653583 6.941 > 29 31 Li 0.29901008433339 0.00000000000000 0.42023547840004 6.941 > 31 32 Li 0.79901008433339 0.00000000000000 0.42023547840004 6.941 > 31 33 Li 0.18422257460839 0.81922636169474 0.81898280346417 6.941 > 33 34 Li 0.68422257460839 0.81922636169474 0.81898280346417 6.941 > 33 35 Li 0.20098991566661 0.00000000000000 0.57976452159996 6.941 > 35 36 Li 0.70098991566661 0.00000000000000 0.57976452159996 6.941 > 35 37 Li 0.06577742539161 0.31922636169474 0.18101719653583 6.941 > 25 38 Li 0.56577742539161 0.31922636169474 0.18101719653583 6.941 > 25 39 Li 0.43422257460839 0.68077363830526 0.81898280346417 6.941 > 27 40 Li 0.93422257460839 0.68077363830526 0.81898280346417 6.941 > 27 41 Li 0.06577742539161 0.68077363830526 0.18101719653583 6.941 > 29 42 Li 0.56577742539161 0.68077363830526 0.18101719653583 6.941 > 29 43 Li 0.04901008433339 0.50000000000000 0.42023547840004 6.941 > 31 44 Li 0.54901008433339 0.50000000000000 0.42023547840004 6.941 > 31 45 Li 0.43422257460839 0.31922636169474 0.81898280346417 6.941 > 33 46 Li 0.93422257460839 0.31922636169474 0.81898280346417 6.941 > 33 47 Li 0.45098991566661 0.50000000000000 0.57976452159996 6.941 > 35 48 Li 0.95098991566661 0.50000000000000 0.57976452159996 6.941 > 35 49 Ga 0.32502823212161 0.16257676063122 0.68729559148174 69.723 > 49 50 Ga 0.82502823212161 0.16257676063122 0.68729559148174 69.723 > 49 51 Ga 0.32502823212161 0.83742323936878 0.68729559148174 69.723 > 51 52 Ga 0.82502823212161 0.83742323936878 0.68729559148174 69.723 > 51 53 Ga 0.17497176787839 0.83742323936878 0.31270440851826 69.723 > 53 54 Ga 0.67497176787839 0.83742323936878 0.31270440851826 69.723 > 53 55 Ga 0.19508545460374 0.00000000000000 0.08830813734174 69.723 > 55 56 Ga 0.69508545460374 0.00000000000000 0.08830813734174 69.723 > 55 57 Ga 0.30491454539626 0.00000000000000 0.91169186265826 69.723 > 57 58 Ga 0.80491454539626 0.00000000000000 0.91169186265826 69.723 > 57 59 Ga 0.17497176787839 0.16257676063122 0.31270440851826 69.723 > 59 60 Ga 0.67497176787839 0.16257676063122 0.31270440851826 69.723 > 59 61 Ga 0.07502823212161 0.66257676063122 0.68729559148174 69.723 > 49 62 Ga 0.57502823212161 0.66257676063122 0.68729559148174 69.723 > 49 63 Ga 0.07502823212161 0.33742323936878 0.68729559148174 69.723 > 51 64 Ga 0.57502823212161 0.33742323936878 0.68729559148174 69.723 > 51 65 Ga 0.42497176787839 0.33742323936878 0.31270440851826 69.723 > 53 66 Ga 0.92497176787839 0.33742323936878 0.31270440851826 69.723 > 53 67 Ga 0.44508545460374 0.50000000000000 0.08830813734174 69.723 > 55 68 Ga 0.94508545460374 0.50000000000000 0.08830813734174 69.723 > 55 69 Ga 0.05491454539626 0.50000000000000 0.91169186265826 69.723 > 57 70 Ga 0.55491454539626 0.50000000000000 0.91169186265826 69.723 > 57 71 Ga 0.42497176787839 0.66257676063122 0.31270440851826 69.723 > 59 72 Ga 0.92497176787839 0.66257676063122 0.31270440851826 69.723 > 59 73 N 0.14795872800086 0.84050548157822 0.15696072355171 14.007 > 73 74 N 0.64795872800086 0.84050548157822 0.15696072355171 14.007 > 73 75 N 0.37398709982326 0.00000000000000 0.60768599014481 14.007 > 75 76 N 0.87398709982326 0.00000000000000 0.60768599014481 14.007 > 75 77 N 0.16211743725560 0.82280015903635 0.64918909029534 14.007 > 77 78 N 0.66211743725560 0.82280015903635 0.64918909029534 14.007 > 77 79 N 0.12601290017674 0.00000000000000 0.39231400985519 14.007 > 79 80 N 0.62601290017674 0.00000000000000 0.39231400985519 14.007 > 79 81 N 0.14795872800086 0.15949451842178 0.15696072355171 14.007 > 81 82 N 0.64795872800086 0.15949451842178 0.15696072355171 14.007 > 81 83 N 0.35204127199914 0.15949451842178 0.84303927644829 14.007 > 83 84 N 0.85204127199914 0.15949451842178 0.84303927644829 14.007 > 83 85 N 0.33788256274440 0.82280015903635 0.35081090970466 14.007 > 85 86 N 0.83788256274440 0.82280015903635 0.35081090970466 14.007 > 85 87 N 0.16211743725560 0.17719984096365 0.64918909029534 14.007 > 87 88 N 0.66211743725560 0.17719984096365 0.64918909029534 14.007 > 87 89 N 0.35980127370628 0.00000000000000 0.06724917121166 14.007 > 89 90 N 0.85980127370628 0.00000000000000 0.06724917121166 14.007 > 89 91 N 0.14019872629372 0.00000000000000 0.93275082878834 14.007 > 91 92 N 0.64019872629372 0.00000000000000 0.93275082878834 14.007 > 91 93 N 0.33788256274440 0.17719984096365 0.35081090970466 14.007 > 93 94 N 0.83788256274440 0.17719984096365 0.35081090970466 14.007 > 93 95 N 0.35204127199914 0.84050548157822 0.84303927644829 14.007 > 95 96 N 0.85204127199914 0.84050548157822 0.84303927644829 14.007 > 95 97 N 0.39795872800086 0.34050548157822 0.15696072355171 14.007 > 73 98 N 0.89795872800086 0.34050548157822 0.15696072355171 14.007 > 73 99 N 0.12398709982326 0.50000000000000 0.60768599014481 14.007 > 75 100 N 0.62398709982326 0.50000000000000 0.60768599014481 14.007 > 75 101 N 0.41211743725560 0.32280015903635 0.64918909029534 14.007 > 77 102 N 0.91211743725560 0.32280015903635 0.64918909029534 14.007 > 77 103 N 0.37601290017674 0.50000000000000 0.39231400985519 14.007 > 79 104 N 0.87601290017674 0.50000000000000 0.39231400985519 14.007 > 79 105 N 0.39795872800086 0.65949451842178 0.15696072355171 14.007 > 81 106 N 0.89795872800086 0.65949451842178 0.15696072355171 14.007 > 81 107 N 0.10204127199914 0.65949451842178 0.84303927644829 14.007 > 83 108 N 0.60204127199914 0.65949451842178 0.84303927644829 14.007 > 83 109 N 0.08788256274440 0.32280015903635 0.35081090970466 14.007 > 85 110 N 0.58788256274440 0.32280015903635 0.35081090970466 14.007 > 85 111 N 0.41211743725560 0.67719984096365 0.64918909029534 14.007 > 87 112 N 0.91211743725560 0.67719984096365 0.64918909029534 14.007 > 87 113 N 0.10980127370628 0.50000000000000 0.06724917121166 14.007 > 89 114 N 0.60980127370628 0.50000000000000 0.06724917121166 14.007 > 89 115 N 0.39019872629372 0.50000000000000 0.93275082878834 14.007 > 91 116 N 0.89019872629372 0.50000000000000 0.93275082878834 14.007 > 91 117 N 0.08788256274440 0.67719984096365 0.35081090970466 14.007 > 93 118 N 0.58788256274440 0.67719984096365 0.35081090970466 14.007 > 93 119 N 0.10204127199914 0.34050548157822 0.84303927644829 14.007 > 95 120 N 0.60204127199914 0.34050548157822 0.84303927644829 14.007 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2425238 0.0000000 0.0335232 0.0000000 6.0829073 0.0000000 0.0333995 0.0000000 6.1275188 -------------------------- Born effective charges -------------------------- 1 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 2 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 3 Sr 2.6773017 0.0000000 0.0360704 0.0000000 2.6158192 0.0000000 0.2138632 0.0000000 2.3794883 4 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 5 Sr 2.6132895 0.0000000 0.0663257 0.0000000 2.2694814 0.0000000 -0.2876678 0.0000000 3.2548837 6 Sr 2.9421869 0.0000000 0.0993796 0.0000000 2.6746387 0.0000000 0.1665118 0.0000000 2.4848077 7 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 8 Li 0.7416896 -0.0992218 0.0193353 -0.1639827 0.8302059 -0.1868369 -0.0225969 -0.1777314 0.7939638 9 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 10 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 11 Li 0.7416896 0.0992218 0.0193353 0.1639827 0.8302059 0.1868369 -0.0225969 0.1777314 0.7939638 12 Li 0.7158846 0.0000000 0.0777151 0.0000000 1.0006840 0.0000000 0.1532097 0.0000000 0.9823885 13 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 14 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 15 Ga 2.5297591 0.2733250 -0.0158678 -0.3515550 2.3786887 -0.0268133 0.1586220 0.1101832 2.2461376 16 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 17 Ga 2.2220859 0.0000000 -0.2411453 0.0000000 2.1166036 0.0000000 -0.5431236 0.0000000 2.2950627 18 Ga 2.5297591 -0.2733250 -0.0158678 0.3515550 2.3786887 0.0268133 0.1586220 -0.1101832 2.2461376 19 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 20 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 21 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 22 N -2.6632613 0.0000000 0.2465760 0.0000000 -3.4637540 0.0000000 0.2604800 0.0000000 -2.8812569 23 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 24 N -2.4389207 -0.1609560 0.0231220 -0.1060048 -2.6792282 0.3200500 -0.0090351 0.1679161 -3.1890934 25 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 26 N -3.4178727 0.2630990 -0.0714483 0.4373286 -2.8518962 -0.0422052 -0.1435819 -0.0643816 -2.5823588 27 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 28 N -3.3367978 0.0000000 -0.1952040 0.0000000 -2.5690134 0.0000000 0.0699108 0.0000000 -3.0526722 29 N -3.4178727 -0.2630990 -0.0714483 -0.4373286 -2.8518962 0.0422052 -0.1435819 0.0643816 -2.5823588 30 N -2.4389207 0.1609560 0.0231220 0.1060048 -2.6792282 -0.3200500 -0.0090351 -0.1679161 -3.1890934 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.255 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.216 ( 0.000 0.000 0.000) 0.000 13.450 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.329 ( 0.000 0.000 0.000) 0.000 14.369 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.951 ( 0.000 0.000 0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.247 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 15.633 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 15.884 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 20.194 ( 0.000 0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 21.089 ( 0.000 0.000 0.000) 0.000 21.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 31.666 -5.355 0.387) 32.118 0.664 ( 31.894 -13.569 -15.325) 37.897 1.205 ( 51.075 -32.608 0.368) 60.598 2.116 ( -0.673 -0.453 -5.126) 5.190 2.370 ( -0.723 0.879 3.944) 4.105 2.454 ( -0.059 -5.619 -3.039) 6.389 2.479 ( -1.709 -3.460 1.176) 4.035 2.528 ( -7.685 -19.400 7.534) 22.185 2.811 ( 4.850 2.360 -5.366) 7.608 2.889 ( 1.916 -5.971 -3.732) 7.298 3.173 ( 2.505 -0.310 3.751) 4.521 3.473 ( -6.023 -6.065 1.266) 8.640 3.542 ( 1.420 -1.018 -1.515) 2.312 3.771 ( -1.978 -5.420 -10.661) 12.123 3.847 ( 1.371 0.149 -7.394) 7.522 3.896 ( 2.812 -1.713 -0.036) 3.293 4.196 ( -1.805 1.348 5.110) 5.585 4.256 ( 0.696 -1.998 2.030) 2.932 4.395 ( -1.016 1.340 -1.563) 2.296 4.622 ( -0.752 0.773 12.477) 12.524 4.676 ( 0.789 2.144 3.970) 4.581 4.716 ( -3.569 -3.346 -3.030) 5.755 4.778 ( 3.564 3.139 -10.751) 11.754 4.844 ( 4.231 1.430 7.116) 8.401 4.974 ( 0.614 -5.290 -10.719) 11.969 5.297 ( -1.360 1.766 -0.328) 2.253 5.452 ( -0.756 -1.508 2.681) 3.168 5.589 ( 2.865 -1.666 4.291) 5.422 5.771 ( -4.754 3.169 5.050) 7.625 5.845 ( -2.777 -1.624 -6.855) 7.573 6.153 ( -1.396 11.778 -14.827) 18.987 6.353 ( -1.199 -1.205 -0.525) 1.779 6.578 ( -1.247 -2.800 -2.090) 3.710 6.903 ( -0.441 2.044 1.085) 2.356 7.258 ( 2.262 1.045 -1.734) 3.036 7.333 ( -2.110 -2.472 0.654) 3.315 7.947 ( -4.872 1.735 14.111) 15.029 8.040 ( -0.617 9.203 -4.827) 10.410 8.212 ( -6.580 -1.307 1.784) 6.942 8.981 ( 1.258 -1.602 -0.781) 2.182 9.072 ( 5.082 3.651 0.522) 6.279 9.291 ( -2.211 -4.493 -0.573) 5.040 9.722 ( -3.977 -2.808 10.731) 11.784 9.926 ( 3.001 1.230 0.390) 3.267 9.977 ( -0.895 -1.643 1.211) 2.229 10.087 ( 7.241 6.013 -23.827) 25.618 10.410 ( -5.405 -0.004 -7.013) 8.854 10.554 ( -8.009 -1.218 0.888) 8.150 10.968 ( 3.800 0.915 27.297) 27.575 11.230 ( -4.325 0.673 1.246) 4.551 11.504 ( -1.695 8.123 -3.324) 8.939 11.543 ( -1.901 1.579 0.859) 2.616 11.623 ( 7.885 12.000 -1.772) 14.468 11.684 ( 4.454 -1.554 0.544) 4.749 11.811 ( -1.201 -1.191 0.389) 1.736 11.927 ( 5.673 -5.897 -0.349) 8.191 11.982 ( 0.829 4.571 -1.673) 4.938 12.217 ( -3.730 -5.360 -13.301) 14.818 12.403 ( -6.430 -11.525 8.622) 15.765 13.133 ( -1.580 6.894 0.496) 7.090 13.214 ( 1.145 2.866 4.219) 5.227 13.500 ( -7.348 -2.303 -4.338) 8.838 13.580 ( -6.334 3.211 -3.908) 8.105 13.773 ( 7.893 7.030 -4.308) 11.414 14.021 ( 1.040 0.436 0.907) 1.447 14.172 ( -2.331 3.306 3.046) 5.064 14.216 ( -2.236 2.566 -0.619) 3.459 14.336 ( 2.271 0.366 -3.654) 4.318 14.388 ( -0.238 -5.476 -2.841) 6.174 14.477 ( 3.299 -1.873 -2.892) 4.771 14.875 ( 4.857 11.993 3.870) 13.505 14.984 ( 2.070 6.364 0.942) 6.758 15.078 ( -0.110 5.483 1.496) 5.684 15.262 ( -4.121 -6.337 6.407) 9.909 15.388 ( -14.822 3.599 -1.907) 15.371 15.531 ( -1.952 2.627 -7.043) 7.766 15.872 ( 2.207 0.714 0.447) 2.362 15.908 ( 4.353 0.287 0.890) 4.452 16.075 ( -2.757 -12.040 7.548) 14.475 16.166 ( -0.058 -11.465 -0.282) 11.469 16.558 ( -4.813 2.869 -9.215) 10.785 17.318 ( 13.779 4.847 2.077) 14.753 17.659 ( 3.581 4.777 -7.059) 9.245 17.910 ( 18.465 32.622 13.061) 39.695 18.112 ( 2.310 -4.136 0.717) 4.792 18.579 ( 9.238 11.585 22.222) 26.709 20.245 ( 1.580 -6.968 -0.055) 7.145 20.544 ( -23.707 -39.409 14.351) 48.177 21.230 ( -2.287 1.452 -29.619) 29.742 21.540 ( -0.043 -1.347 -0.301) 1.381 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 24.847 -3.321 -0.379) 25.071 1.300 ( 29.462 -12.614 -12.374) 34.355 2.104 ( -0.413 -0.280 -4.888) 4.914 2.225 ( 28.080 -19.316 -2.837) 34.200 2.373 ( 0.885 -1.307 9.002) 9.139 2.494 ( 2.078 -2.919 -6.329) 7.272 2.593 ( 11.818 -7.084 6.106) 15.071 2.619 ( 2.336 -16.475 5.128) 17.412 2.875 ( 8.599 3.104 -6.420) 11.171 3.001 ( 4.299 -2.806 0.063) 5.134 3.275 ( 5.691 -5.242 3.568) 8.521 3.443 ( -3.545 -5.034 -2.785) 6.757 3.583 ( 1.502 -2.416 2.558) 3.826 3.706 ( -7.624 -2.249 -10.246) 12.968 3.915 ( 4.711 -2.896 6.422) 8.475 3.968 ( 3.140 -2.149 -1.766) 4.195 4.114 ( -4.188 4.019 -0.048) 5.805 4.350 ( -1.824 -0.693 -2.408) 3.099 4.383 ( 4.204 -5.630 3.241) 7.737 4.566 ( -4.558 2.121 11.251) 12.323 4.648 ( -1.658 1.210 4.687) 5.117 4.756 ( 5.226 -1.327 1.583) 5.619 4.805 ( 2.639 3.050 -7.072) 8.142 4.883 ( 2.140 0.895 -0.660) 2.412 5.020 ( -0.047 -4.632 -12.403) 13.240 5.253 ( -1.966 1.132 -0.493) 2.322 5.446 ( -1.564 0.660 4.563) 4.868 5.593 ( -5.009 4.701 2.441) 7.290 5.693 ( 1.447 -1.052 2.819) 3.338 5.822 ( -3.615 -5.077 -5.736) 8.471 6.013 ( -5.964 0.983 -2.737) 6.635 6.346 ( -1.601 -1.997 0.679) 2.648 6.545 ( -4.467 -0.232 -0.514) 4.503 6.864 ( -2.727 0.853 -0.551) 2.910 7.269 ( -0.327 1.796 -1.249) 2.212 7.307 ( -3.072 -0.957 -0.221) 3.226 7.847 ( -5.014 1.618 12.554) 13.614 7.875 ( -4.688 12.157 -4.814) 13.890 8.129 ( -3.372 1.779 -3.421) 5.123 9.000 ( 2.411 4.468 1.021) 5.179 9.117 ( 3.628 2.684 -1.099) 4.645 9.301 ( -1.174 -2.996 -0.522) 3.260 9.709 ( -4.147 -6.514 3.521) 8.487 9.915 ( -1.620 -0.113 -1.986) 2.565 9.995 ( 2.582 1.758 -9.923) 10.404 10.157 ( 2.889 1.967 3.994) 5.308 10.291 ( -2.636 4.294 -0.357) 5.051 10.452 ( -6.154 -2.569 0.119) 6.670 11.039 ( 2.504 -2.085 6.176) 6.982 11.146 ( -3.878 1.118 1.525) 4.314 11.367 ( -4.352 7.272 -3.355) 9.115 11.478 ( -4.320 1.248 1.121) 4.635 11.632 ( 1.257 2.670 1.572) 3.344 11.766 ( 1.306 -0.580 2.187) 2.613 11.808 ( 2.853 -0.658 0.554) 2.980 11.949 ( 1.058 4.061 -0.156) 4.199 12.119 ( 7.444 -7.517 0.620) 10.598 12.218 ( -0.829 -4.473 -6.008) 7.536 12.418 ( 0.373 -1.233 1.902) 2.297 13.000 ( -3.236 10.597 -0.108) 11.081 13.163 ( -1.826 9.143 4.910) 10.537 13.397 ( -8.962 -4.454 -3.815) 10.710 13.438 ( -6.592 1.000 -3.386) 7.477 13.831 ( 5.419 3.366 -1.230) 6.497 13.989 ( -3.673 2.231 -1.341) 4.502 14.064 ( -6.668 6.670 2.440) 9.742 14.145 ( -2.075 3.275 0.361) 3.894 14.353 ( 1.279 -0.237 1.240) 1.797 14.449 ( -0.295 -5.879 -8.363) 10.227 14.547 ( 4.136 2.321 -1.921) 5.117 14.831 ( -4.002 5.333 6.639) 9.409 14.890 ( -0.494 3.640 4.284) 5.644 15.012 ( -2.134 5.396 -3.065) 6.563 15.202 ( -3.821 -5.610 2.787) 7.338 15.258 ( -3.298 -2.671 2.376) 4.864 15.538 ( 3.601 -0.041 -7.347) 8.182 15.856 ( -2.488 3.916 1.418) 4.852 15.991 ( 5.493 1.468 0.097) 5.686 16.127 ( -0.535 -5.010 3.573) 6.177 16.262 ( 0.545 -8.894 -2.017) 9.137 16.547 ( 5.570 1.496 -2.295) 6.208 17.385 ( 5.175 13.054 4.485) 14.741 17.726 ( 10.001 5.683 -11.205) 16.058 17.895 ( 6.222 12.172 7.428) 15.558 18.223 ( 3.666 -7.691 0.524) 8.536 18.632 ( 3.923 1.599 8.727) 9.701 20.363 ( 1.738 -10.004 -0.612) 10.173 20.549 ( -10.394 -17.842 5.907) 21.477 21.161 ( -2.293 2.247 -10.345) 10.831 21.546 ( -1.091 -1.389 0.200) 1.778 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 14.756 -1.482 -1.501) 14.906 1.854 ( 23.435 -9.253 -7.540) 26.300 2.093 ( -0.384 -0.931 -3.349) 3.497 2.406 ( -0.633 -3.721 -1.279) 3.985 2.435 ( 3.196 -1.142 7.046) 7.821 2.585 ( 4.308 -3.526 -0.482) 5.588 2.726 ( 3.087 -7.298 1.775) 8.120 2.971 ( 11.340 0.466 -3.989) 12.030 3.063 ( 4.017 1.097 3.929) 5.725 3.283 ( 17.251 -10.319 -5.359) 20.804 3.381 ( 3.409 -2.678 0.993) 4.448 3.495 ( 3.153 -4.787 -1.380) 5.896 3.638 ( 0.715 -4.190 5.310) 6.802 3.705 ( 5.850 -11.225 -2.817) 12.968 3.992 ( -0.001 0.174 1.986) 1.994 4.006 ( -0.178 -0.700 0.040) 0.723 4.066 ( 3.599 -2.323 2.064) 4.755 4.286 ( -4.921 0.821 -2.561) 5.608 4.449 ( -0.896 2.527 5.231) 5.878 4.510 ( -1.018 -4.984 4.842) 7.023 4.606 ( -2.944 -0.400 -0.894) 3.102 4.770 ( -2.092 3.225 -4.744) 6.106 4.818 ( 0.423 2.359 0.244) 2.409 4.942 ( 4.976 0.615 3.866) 6.331 5.100 ( 5.044 -5.125 -12.271) 14.223 5.233 ( 0.470 -0.921 1.287) 1.651 5.347 ( -3.857 6.821 -1.695) 8.017 5.531 ( 0.669 -0.435 2.100) 2.246 5.678 ( -2.728 2.286 3.071) 4.701 5.824 ( -3.309 -5.147 -3.265) 6.936 5.970 ( -4.622 -8.037 1.533) 9.397 6.346 ( -1.401 -3.735 1.566) 4.286 6.452 ( -4.987 1.883 0.804) 5.391 6.794 ( -5.404 -0.591 -1.434) 5.623 7.199 ( -4.724 2.980 1.441) 5.769 7.243 ( -3.811 2.544 -0.286) 4.592 7.685 ( -3.762 10.783 -2.073) 11.607 7.781 ( -1.770 0.522 4.743) 5.090 8.061 ( -2.436 1.683 -3.827) 4.839 8.975 ( 2.046 7.473 1.729) 7.939 9.137 ( 1.716 1.729 -0.641) 2.518 9.299 ( -2.480 -1.995 -0.217) 3.190 9.686 ( -7.031 -6.443 1.659) 9.680 9.898 ( -0.741 -0.783 0.789) 1.336 10.037 ( 4.239 0.688 -11.966) 12.713 10.072 ( -4.638 4.066 -3.277) 6.984 10.307 ( 2.937 0.887 7.796) 8.378 10.416 ( -0.637 -1.870 5.498) 5.842 11.007 ( -4.223 3.460 -4.628) 7.157 11.159 ( 2.081 -2.560 0.723) 3.377 11.255 ( -2.596 1.119 0.158) 2.831 11.387 ( -4.140 2.191 2.044) 5.110 11.604 ( -2.074 0.866 1.275) 2.584 11.741 ( -2.710 0.511 3.858) 4.743 11.922 ( 8.567 1.781 -1.563) 8.889 11.951 ( 1.534 -2.204 2.103) 3.411 12.218 ( -0.699 -4.076 -0.499) 4.166 12.338 ( 5.642 -6.779 -0.016) 8.820 12.448 ( 5.227 4.308 -1.775) 7.002 12.853 ( -1.365 9.763 -1.287) 9.942 12.962 ( -8.970 10.605 -3.597) 14.347 13.289 ( -6.279 -0.445 4.424) 7.694 13.353 ( -4.994 -0.627 -2.675) 5.700 13.784 ( -13.616 8.130 0.911) 15.885 13.877 ( 0.824 2.097 -1.307) 2.605 13.904 ( -4.098 3.193 0.412) 5.212 14.100 ( 2.478 5.327 1.008) 5.961 14.382 ( 1.125 0.965 5.848) 6.033 14.442 ( -3.817 -3.402 -10.004) 11.234 14.588 ( 3.076 1.827 -7.920) 8.691 14.715 ( -3.636 -1.072 7.408) 8.322 14.907 ( 2.588 0.854 3.447) 4.394 15.001 ( 1.742 -1.728 0.052) 2.454 15.208 ( -0.653 -1.016 1.544) 1.961 15.273 ( 0.110 -5.142 2.143) 5.572 15.608 ( 4.433 1.558 -6.141) 7.732 15.735 ( -6.532 1.527 2.539) 7.173 16.029 ( 0.341 0.544 -2.293) 2.381 16.204 ( 5.077 -1.661 1.897) 5.668 16.352 ( 2.026 -4.330 -1.797) 5.107 16.663 ( 7.173 -2.298 2.660) 7.988 17.297 ( 1.187 13.759 0.764) 13.831 17.805 ( 7.063 7.496 -7.126) 12.525 17.886 ( 2.110 3.511 4.400) 6.012 18.370 ( 4.574 -7.295 0.032) 8.611 18.673 ( 1.503 -0.072 4.295) 4.551 20.476 ( 0.292 -8.407 -1.089) 8.482 20.559 ( -4.948 -9.534 2.824) 11.106 21.116 ( -0.604 1.256 -3.826) 4.072 21.532 ( -1.911 -0.886 0.406) 2.145 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 5.997 -0.613 -1.424) 6.194 2.042 ( 0.027 0.927 -0.612) 1.111 2.286 ( 13.022 -5.688 -4.488) 14.902 2.427 ( 0.373 -2.552 -1.498) 2.983 2.495 ( 1.828 -1.146 6.822) 7.155 2.685 ( 3.278 -2.823 -1.016) 4.444 2.856 ( 5.885 -3.481 0.269) 6.842 3.063 ( -2.233 1.248 0.642) 2.637 3.143 ( 8.547 -0.296 -3.832) 9.371 3.413 ( 6.628 0.680 -1.230) 6.775 3.484 ( 2.921 -3.082 0.023) 4.247 3.561 ( 1.321 -1.006 0.480) 1.728 3.673 ( -2.721 -3.893 8.774) 9.977 3.802 ( -2.430 -1.374 -11.739) 12.066 3.952 ( -4.627 1.930 2.625) 5.659 4.060 ( -6.954 -0.571 2.220) 7.322 4.144 ( 1.661 -0.847 5.066) 5.398 4.331 ( 8.958 -4.564 2.033) 10.257 4.446 ( 3.230 1.518 -1.413) 3.839 4.563 ( 1.373 -6.065 -1.203) 6.334 4.595 ( 1.907 -1.110 2.438) 3.288 4.693 ( -1.358 4.362 -2.178) 5.061 4.815 ( 1.534 -2.787 -1.752) 3.632 4.978 ( 1.737 0.971 1.642) 2.580 5.185 ( -3.157 -0.868 -4.425) 5.505 5.238 ( 4.987 -0.501 1.024) 5.116 5.361 ( 7.790 -0.987 -3.744) 8.699 5.535 ( -0.825 1.405 0.201) 1.641 5.673 ( 3.472 -0.373 1.653) 3.864 5.766 ( -7.710 -0.653 -3.435) 8.466 5.928 ( -9.436 -5.563 4.403) 11.805 6.371 ( -1.712 1.519 -1.244) 2.605 6.381 ( -0.187 -3.961 3.543) 5.318 6.717 ( -4.379 -1.833 -0.461) 4.769 7.067 ( -5.455 4.797 1.476) 7.412 7.165 ( -2.400 1.534 -0.342) 2.869 7.549 ( -2.217 6.003 -0.346) 6.408 7.772 ( 0.331 0.151 -0.198) 0.415 8.018 ( -1.152 0.800 -1.958) 2.408 8.940 ( 1.584 4.965 1.013) 5.310 9.138 ( -0.266 0.864 0.360) 0.973 9.269 ( -1.558 -0.145 0.478) 1.636 9.613 ( -6.940 -3.507 0.008) 7.776 9.907 ( 0.731 -0.340 1.316) 1.543 9.986 ( -2.357 0.920 -3.094) 3.997 10.088 ( 2.130 -0.072 -7.928) 8.209 10.353 ( 3.880 1.151 4.825) 6.297 10.435 ( -0.434 -1.304 5.981) 6.137 10.905 ( -2.766 3.392 -4.355) 6.174 11.166 ( -1.091 0.178 -0.292) 1.143 11.278 ( 0.173 -4.702 -0.952) 4.801 11.318 ( -1.089 2.530 2.546) 3.751 11.570 ( -0.541 0.708 -1.477) 1.725 11.682 ( -3.627 0.503 5.046) 6.234 11.991 ( 3.851 -1.159 2.188) 4.579 12.079 ( 5.761 -2.617 -0.136) 6.329 12.234 ( -1.205 -2.712 0.850) 3.087 12.462 ( 5.269 -0.704 1.335) 5.481 12.482 ( 1.816 2.709 -3.715) 4.944 12.664 ( -6.708 11.429 -4.975) 14.155 12.864 ( 3.945 -1.319 -4.429) 6.076 13.181 ( -6.054 3.955 7.992) 10.778 13.280 ( -3.570 -0.865 -1.848) 4.111 13.458 ( -13.633 7.914 0.448) 15.770 13.827 ( -1.896 1.252 -0.691) 2.375 13.847 ( -2.024 1.572 0.176) 2.568 14.128 ( 4.578 2.798 1.491) 5.569 14.359 ( -1.312 0.778 3.110) 3.464 14.447 ( -0.852 -3.645 -4.942) 6.199 14.567 ( -0.408 3.239 -6.015) 6.844 14.760 ( 2.634 -4.563 2.630) 5.889 14.921 ( -0.344 0.927 3.471) 3.609 15.055 ( 1.739 -1.785 0.588) 2.561 15.216 ( 0.613 -0.491 1.209) 1.442 15.338 ( 1.758 -4.552 -0.016) 4.879 15.545 ( -4.233 5.936 -0.529) 7.310 15.736 ( 2.241 -3.800 -0.554) 4.446 16.000 ( -2.184 1.266 -2.453) 3.520 16.300 ( 5.004 0.160 1.294) 5.171 16.405 ( 0.705 -1.789 -1.204) 2.269 16.813 ( 5.587 -5.434 4.284) 8.894 17.172 ( -0.893 11.138 -2.087) 11.367 17.815 ( 2.302 4.376 -1.932) 5.309 17.895 ( 1.128 0.981 0.644) 1.628 18.502 ( 3.792 -4.621 -0.270) 5.984 18.683 ( -0.240 0.444 2.097) 2.157 20.532 ( -0.831 -4.448 -0.482) 4.550 20.574 ( -1.701 -4.099 0.804) 4.510 21.112 ( 0.648 0.005 -1.168) 1.335 21.506 ( -1.637 -0.318 0.289) 1.693 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 -0.000 -0.000) 0.000 2.033 ( 0.000 -0.000 0.000) 0.000 2.398 ( 0.000 -0.000 -0.000) 0.000 2.476 ( 0.000 -0.000 -0.000) 0.000 2.516 ( 0.000 -0.000 0.000) 0.000 2.729 ( 0.000 -0.000 -0.000) 0.000 2.959 ( -0.000 -0.000 -0.000) 0.000 3.000 ( 0.000 -0.000 0.000) 0.000 3.223 ( 0.000 -0.000 -0.000) 0.000 3.486 ( 0.000 -0.000 0.000) 0.000 3.561 ( -0.000 -0.000 0.000) 0.000 3.572 ( 0.000 -0.000 -0.000) 0.000 3.636 ( 0.000 -0.000 -0.000) 0.000 3.776 ( 0.000 -0.000 0.000) 0.000 3.907 ( 0.000 -0.000 0.000) 0.000 3.949 ( 0.000 -0.000 -0.000) 0.000 4.156 ( 0.000 -0.000 -0.000) 0.000 4.418 ( 0.000 -0.000 -0.000) 0.000 4.446 ( 0.000 -0.000 0.000) 0.000 4.596 ( 0.000 -0.000 -0.000) 0.000 4.656 ( -0.000 -0.000 0.000) 0.000 4.661 ( 0.000 0.000 -0.000) 0.000 4.831 ( 0.000 -0.000 0.000) 0.000 5.086 ( -0.000 0.000 -0.000) 0.000 5.091 ( 0.000 -0.000 0.000) 0.000 5.404 ( 0.000 -0.000 0.000) 0.000 5.463 ( 0.000 -0.000 0.000) 0.000 5.510 ( 0.000 -0.000 0.000) 0.000 5.567 ( -0.000 -0.000 -0.000) 0.000 5.749 ( 0.000 -0.000 0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 6.355 ( 0.000 -0.000 -0.000) 0.000 6.399 ( 0.000 -0.000 0.000) 0.000 6.695 ( 0.000 -0.000 0.000) 0.000 6.985 ( 0.000 -0.000 0.000) 0.000 7.138 ( 0.000 -0.000 -0.000) 0.000 7.500 ( 0.000 -0.000 0.000) 0.000 7.775 ( 0.000 -0.000 0.000) 0.000 8.004 ( 0.000 -0.000 -0.000) 0.000 8.931 ( 0.000 -0.000 0.000) 0.000 9.124 ( 0.000 -0.000 -0.000) 0.000 9.260 ( 0.000 -0.000 -0.000) 0.000 9.565 ( 0.000 -0.000 0.000) 0.000 9.916 ( 0.000 -0.000 0.000) 0.000 9.966 ( 0.000 -0.000 0.000) 0.000 10.103 ( 0.000 -0.000 -0.000) 0.000 10.392 ( -0.000 -0.000 -0.000) 0.000 10.431 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 -0.000 0.000) 0.000 11.154 ( 0.000 -0.000 0.000) 0.000 11.300 ( -0.000 -0.000 -0.000) 0.000 11.302 ( 0.000 0.000 0.000) 0.000 11.570 ( 0.000 -0.000 0.000) 0.000 11.640 ( 0.000 -0.000 0.000) 0.000 12.054 ( 0.000 0.000 -0.000) 0.000 12.134 ( 0.000 -0.000 -0.000) 0.000 12.236 ( 0.000 -0.000 0.000) 0.000 12.445 ( 0.000 -0.000 0.000) 0.000 12.532 ( 0.000 -0.000 -0.000) 0.000 12.554 ( 0.000 -0.000 0.000) 0.000 12.975 ( 0.000 -0.000 0.000) 0.000 13.049 ( 0.000 -0.000 -0.000) 0.000 13.259 ( 0.000 0.000 -0.000) 0.000 13.276 ( 0.000 -0.000 0.000) 0.000 13.811 ( 0.000 -0.000 -0.000) 0.000 13.813 ( -0.000 0.000 0.000) 0.000 14.157 ( 0.000 -0.000 -0.000) 0.000 14.345 ( 0.000 -0.000 -0.000) 0.000 14.459 ( 0.000 -0.000 0.000) 0.000 14.543 ( 0.000 -0.000 0.000) 0.000 14.824 ( 0.000 -0.000 0.000) 0.000 14.898 ( 0.000 -0.000 -0.000) 0.000 15.079 ( 0.000 -0.000 0.000) 0.000 15.227 ( 0.000 -0.000 -0.000) 0.000 15.408 ( 0.000 -0.000 -0.000) 0.000 15.444 ( -0.000 0.000 0.000) 0.000 15.786 ( 0.000 -0.000 0.000) 0.000 15.963 ( 0.000 -0.000 -0.000) 0.000 16.347 ( 0.000 -0.000 -0.000) 0.000 16.416 ( 0.000 -0.000 0.000) 0.000 16.914 ( 0.000 -0.000 -0.000) 0.000 17.084 ( 0.000 -0.000 0.000) 0.000 17.811 ( 0.000 -0.000 0.000) 0.000 17.900 ( 0.000 -0.000 -0.000) 0.000 18.564 ( 0.000 -0.000 -0.000) 0.000 18.671 ( 0.000 -0.000 0.000) 0.000 20.546 ( 0.000 -0.000 0.000) 0.000 20.580 ( 0.000 -0.000 0.000) 0.000 21.120 ( 0.000 -0.000 0.000) 0.000 21.493 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 32.543 0.000 -12.255) 34.774 1.199 ( 30.130 0.000 4.065) 30.403 1.938 ( 50.034 0.000 -5.986) 50.391 2.100 ( -0.611 -0.000 -7.829) 7.853 2.344 ( 2.774 0.000 2.073) 3.463 2.421 ( 1.966 0.000 -0.181) 1.974 2.486 ( 4.022 0.000 2.191) 4.580 2.527 ( 6.327 0.000 7.903) 10.123 2.930 ( 6.577 0.000 -6.990) 9.598 2.956 ( 10.218 0.000 1.286) 10.299 3.229 ( 4.380 0.000 2.855) 5.228 3.372 ( -3.604 -0.000 -1.487) 3.899 3.561 ( 1.396 0.000 0.586) 1.514 3.676 ( -6.927 -0.000 -14.243) 15.838 3.896 ( 4.343 0.000 5.699) 7.165 3.945 ( 3.623 0.000 -0.147) 3.626 4.183 ( -5.273 -0.000 -0.301) 5.282 4.264 ( 4.126 0.000 7.080) 8.195 4.365 ( -1.858 -0.000 -1.502) 2.389 4.594 ( -5.248 -0.000 -2.617) 5.864 4.630 ( -0.586 -0.000 15.569) 15.580 4.763 ( 6.776 0.000 0.914) 6.837 4.853 ( 1.245 0.000 -1.930) 2.297 4.896 ( 1.741 0.000 3.984) 4.347 4.962 ( 2.459 0.000 -19.284) 19.440 5.261 ( -3.523 -0.000 -1.185) 3.717 5.448 ( 1.101 0.000 4.791) 4.916 5.643 ( 4.186 0.000 3.790) 5.647 5.677 ( -7.481 -0.000 6.211) 9.723 5.777 ( -4.020 -0.000 -5.952) 7.182 6.047 ( -13.492 -0.000 -10.016) 16.803 6.319 ( -2.016 -0.000 0.963) 2.234 6.543 ( -1.851 -0.000 -1.188) 2.200 6.880 ( -3.686 -0.000 1.055) 3.834 7.266 ( -3.958 -0.000 -0.010) 3.958 7.307 ( 2.214 0.000 -3.537) 4.172 7.862 ( -6.187 -0.000 13.179) 14.559 8.047 ( -8.473 -0.000 0.254) 8.477 8.109 ( -1.165 -0.000 -5.116) 5.247 9.011 ( 3.012 0.000 -3.202) 4.396 9.164 ( 3.181 0.000 -0.922) 3.312 9.294 ( 1.843 0.000 0.437) 1.894 9.618 ( -5.828 -0.000 5.958) 8.334 9.916 ( -3.281 -0.000 0.093) 3.282 10.003 ( 3.187 0.000 -11.347) 11.786 10.180 ( 3.983 0.000 -2.988) 4.979 10.372 ( -1.783 -0.000 -0.113) 1.786 10.397 ( -8.486 -0.000 4.050) 9.403 11.013 ( 1.972 0.000 9.294) 9.501 11.155 ( -4.698 -0.000 3.227) 5.700 11.464 ( -6.773 -0.000 -3.662) 7.699 11.465 ( -4.729 -0.000 1.474) 4.954 11.699 ( -2.386 -0.000 -0.830) 2.526 11.761 ( 4.737 0.000 1.770) 5.057 11.836 ( 1.387 0.000 -3.576) 3.835 11.981 ( 2.710 0.000 0.214) 2.718 12.041 ( -0.018 -0.000 3.493) 3.493 12.115 ( 4.180 0.000 -8.591) 9.554 12.423 ( 6.527 0.000 5.220) 8.358 13.149 ( -1.833 -0.000 2.700) 3.263 13.237 ( -0.720 -0.000 0.064) 0.722 13.330 ( -9.058 -0.000 0.260) 9.062 13.457 ( -9.259 -0.000 -5.323) 10.681 13.876 ( 2.886 0.000 -2.465) 3.795 14.009 ( -3.366 -0.000 -1.942) 3.887 14.150 ( -7.001 -0.000 0.105) 7.002 14.161 ( -0.869 -0.000 2.796) 2.928 14.351 ( 0.628 0.000 1.420) 1.552 14.369 ( 0.398 0.000 -7.077) 7.088 14.568 ( 6.548 0.000 -3.349) 7.355 14.915 ( -1.922 -0.000 0.923) 2.132 14.994 ( -19.097 -0.000 14.924) 24.236 15.039 ( -1.503 -0.000 -1.777) 2.327 15.116 ( 1.817 0.000 0.739) 1.962 15.225 ( -4.876 -0.000 -2.153) 5.330 15.543 ( 2.692 0.000 -8.673) 9.081 15.931 ( 3.295 0.000 -0.349) 3.313 16.028 ( -2.364 -0.000 7.679) 8.034 16.033 ( 8.055 0.000 0.404) 8.065 16.128 ( 1.604 0.000 -1.800) 2.411 16.565 ( 3.878 0.000 -3.453) 5.193 17.537 ( 5.223 0.000 6.809) 8.582 17.799 ( 12.430 0.000 -14.152) 18.835 18.031 ( -2.548 -0.000 -0.417) 2.582 18.123 ( -0.024 -0.000 0.352) 0.353 18.738 ( -1.232 -0.000 26.026) 26.055 20.251 ( 3.108 0.000 0.347) 3.127 20.264 ( 3.188 0.000 -0.320) 3.204 21.186 ( -2.846 -0.000 -12.808) 13.121 21.535 ( -0.268 -0.000 1.200) 1.230 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 19.687 6.517 2.387) 20.875 1.690 ( 26.573 -7.113 -6.661) 28.304 2.087 ( -0.668 0.016 -7.080) 7.112 2.371 ( 6.995 1.325 -6.220) 9.454 2.423 ( 3.959 0.269 7.798) 8.749 2.523 ( 2.869 -5.129 3.165) 6.675 2.584 ( 7.601 -4.512 1.623) 8.987 2.953 ( 26.603 -4.005 -1.831) 26.965 3.096 ( 16.816 1.993 -0.393) 16.938 3.133 ( 15.657 -0.811 -1.061) 15.714 3.319 ( 4.034 -2.593 0.733) 4.851 3.370 ( 1.900 -5.915 -1.143) 6.317 3.567 ( -4.529 -2.819 -13.159) 14.200 3.587 ( 0.786 -1.308 2.969) 3.338 3.982 ( 2.207 0.019 7.498) 7.816 3.997 ( 2.961 -0.733 5.214) 6.041 4.075 ( -3.871 1.440 -3.090) 5.158 4.284 ( -3.036 -1.280 -2.704) 4.263 4.374 ( 0.417 -2.695 2.260) 3.542 4.518 ( -3.529 -0.198 -0.164) 3.539 4.598 ( -3.977 0.675 10.676) 11.413 4.806 ( -3.179 0.983 -3.919) 5.141 4.889 ( 0.440 2.389 2.305) 3.349 4.935 ( 7.581 -0.394 3.747) 8.465 5.051 ( 8.739 -0.582 -15.819) 18.082 5.200 ( -3.506 -1.472 -0.888) 3.905 5.480 ( 2.608 3.601 4.223) 6.132 5.550 ( -4.148 2.590 2.546) 5.513 5.713 ( -0.790 -2.853 -1.261) 3.218 5.719 ( -1.609 0.786 1.654) 2.438 5.832 ( -11.155 -5.539 -3.243) 12.870 6.285 ( -3.132 -1.900 1.765) 4.067 6.489 ( -3.899 1.146 -1.480) 4.325 6.798 ( -5.532 0.697 0.333) 5.586 7.197 ( -5.193 -1.176 0.112) 5.326 7.297 ( -2.939 1.819 -0.011) 3.456 7.784 ( -2.959 -0.058 5.963) 6.657 7.866 ( -8.181 6.046 -0.352) 10.179 8.084 ( -2.126 0.169 -4.453) 4.937 9.058 ( 2.686 0.941 -3.121) 4.224 9.169 ( -1.588 0.966 0.411) 1.903 9.299 ( 0.020 2.388 -0.358) 2.415 9.550 ( -6.455 -5.668 4.694) 9.789 9.876 ( -1.544 -0.816 0.899) 1.964 10.044 ( 2.962 0.096 -14.502) 14.802 10.156 ( -5.425 2.875 -1.832) 6.407 10.334 ( 2.557 1.869 5.228) 6.113 10.378 ( 0.793 -2.124 7.636) 7.965 11.029 ( -2.050 -0.460 -0.297) 2.122 11.115 ( 0.673 -1.110 3.513) 3.745 11.327 ( -5.604 4.176 -3.833) 7.971 11.395 ( -4.962 -1.178 1.570) 5.337 11.638 ( -2.603 2.544 -0.082) 3.641 11.817 ( 0.454 5.701 -1.919) 6.033 11.843 ( 2.429 -4.576 2.725) 5.854 11.974 ( -0.473 -0.031 -0.513) 0.699 12.084 ( -0.465 -6.822 2.847) 7.407 12.265 ( 10.452 -1.085 -2.055) 10.707 12.541 ( 9.064 3.253 0.817) 9.664 13.025 ( -6.172 8.754 -2.824) 11.077 13.161 ( -8.706 1.356 -5.166) 10.214 13.236 ( -4.176 1.580 3.575) 5.720 13.334 ( -4.477 -2.742 1.668) 5.508 13.884 ( -7.277 2.686 -2.083) 8.032 13.907 ( -2.467 0.454 -2.083) 3.261 13.986 ( -9.012 3.466 2.070) 9.875 14.161 ( 1.146 0.986 2.570) 2.981 14.350 ( -2.885 -2.450 -8.656) 9.447 14.389 ( 1.083 -1.018 -1.124) 1.863 14.634 ( 1.755 2.449 0.444) 3.045 14.716 ( -9.595 0.341 7.833) 12.391 14.896 ( -1.378 -1.895 1.977) 3.066 15.022 ( 0.747 1.477 1.388) 2.160 15.167 ( 3.269 -1.641 -2.363) 4.355 15.201 ( -0.166 -1.490 4.358) 4.608 15.609 ( 5.186 -0.133 -7.864) 9.421 15.845 ( -7.635 6.774 0.185) 10.209 16.011 ( 0.052 -3.369 -1.600) 3.730 16.163 ( 7.806 -0.094 2.528) 8.205 16.246 ( 4.707 -5.334 0.867) 7.167 16.640 ( 4.458 -0.330 0.259) 4.477 17.514 ( -1.992 6.677 1.057) 7.047 17.963 ( 8.922 8.571 -7.872) 14.663 17.964 ( -2.419 2.742 1.946) 4.142 18.190 ( 3.420 -9.899 -1.362) 10.561 18.709 ( 0.091 2.673 12.405) 12.690 20.340 ( 3.507 -4.766 0.440) 5.934 20.365 ( 3.006 -6.779 0.075) 7.416 21.139 ( -1.585 0.770 -5.428) 5.707 21.527 ( -0.703 0.096 1.005) 1.231 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 9.775 5.885 3.492) 11.932 2.064 ( 0.172 1.008 -5.452) 5.547 2.155 ( 18.943 -6.615 -3.378) 20.347 2.420 ( 2.183 1.778 -2.904) 4.045 2.478 ( 2.583 -0.441 10.923) 11.233 2.620 ( 4.039 -3.636 -1.816) 5.730 2.784 ( 9.347 -3.762 0.496) 10.088 3.130 ( 2.351 5.119 -1.540) 5.840 3.185 ( 9.481 4.847 -5.134) 11.821 3.398 ( 7.188 -2.632 -2.139) 7.948 3.428 ( 3.412 -2.591 2.158) 4.797 3.524 ( 5.039 -2.433 -4.269) 7.038 3.605 ( -1.524 -2.612 3.883) 4.922 3.745 ( 6.604 -5.492 -8.813) 12.306 3.958 ( -1.281 -5.057 4.833) 7.111 4.015 ( -1.116 2.515 -0.994) 2.925 4.115 ( 3.103 -1.254 6.141) 6.994 4.272 ( 3.279 -0.889 3.812) 5.106 4.421 ( 3.832 -6.615 -0.317) 7.651 4.497 ( -3.703 2.352 0.501) 4.415 4.516 ( 0.428 -4.715 1.368) 4.928 4.746 ( -2.802 0.156 -2.433) 3.714 4.828 ( -2.901 2.237 0.276) 3.674 5.008 ( 1.117 3.373 0.808) 3.643 5.161 ( 3.834 -1.242 -6.026) 7.249 5.274 ( 6.214 -0.387 0.168) 6.229 5.378 ( 0.651 5.506 -1.038) 5.641 5.574 ( 0.138 1.761 -0.256) 1.785 5.646 ( 1.665 -1.975 3.754) 4.557 5.726 ( -3.475 -3.571 -2.341) 5.505 5.820 ( -2.131 -4.642 2.013) 5.490 6.278 ( -1.138 -5.175 2.240) 5.752 6.409 ( -3.402 1.338 -1.262) 3.867 6.696 ( -5.544 0.349 0.752) 5.605 7.115 ( -6.115 -0.684 0.833) 6.210 7.188 ( -6.421 2.075 1.588) 6.932 7.677 ( -7.011 5.706 -0.209) 9.042 7.769 ( 0.118 -0.355 0.150) 0.403 8.045 ( -1.088 1.513 -2.905) 3.452 9.041 ( -1.779 4.611 0.049) 4.943 9.137 ( -1.355 -0.871 -0.961) 1.876 9.266 ( -1.895 0.144 -0.568) 1.983 9.504 ( -5.932 -5.892 3.222) 8.961 9.885 ( 0.878 -1.415 2.508) 3.011 10.040 ( -3.635 3.292 -1.889) 5.255 10.092 ( 3.203 0.220 -10.621) 11.096 10.362 ( 1.981 -0.088 -1.432) 2.447 10.433 ( 3.065 0.685 12.105) 12.506 10.970 ( -3.169 2.131 -4.546) 5.938 11.169 ( 1.948 -1.449 0.498) 2.478 11.221 ( -2.422 1.500 -1.052) 3.037 11.338 ( -2.620 -0.681 2.793) 3.890 11.577 ( -2.324 1.065 0.559) 2.617 11.753 ( -0.710 5.874 -0.566) 5.944 11.927 ( 0.931 -5.869 4.137) 7.241 12.008 ( 2.813 -3.191 -0.107) 4.255 12.137 ( -1.255 -6.227 1.914) 6.635 12.435 ( 8.979 0.733 -0.472) 9.021 12.629 ( 6.133 7.450 -2.750) 10.034 12.852 ( -8.381 3.666 -7.721) 11.971 12.925 ( -5.010 9.221 -3.849) 11.178 13.206 ( -2.134 -1.357 4.179) 4.885 13.277 ( -5.063 0.257 3.558) 6.193 13.614 ( -15.117 7.209 -0.908) 16.772 13.847 ( -4.891 0.988 1.213) 5.135 13.868 ( -3.814 0.342 0.932) 3.941 14.178 ( 1.905 1.635 2.459) 3.514 14.303 ( -5.958 -5.250 -12.187) 14.546 14.398 ( 0.679 0.891 4.928) 5.054 14.634 ( -2.939 -2.628 4.728) 6.156 14.672 ( 4.119 0.298 -2.496) 4.825 14.903 ( -0.936 -2.244 2.455) 3.455 15.058 ( 4.035 0.637 2.899) 5.009 15.220 ( 1.614 0.529 2.237) 2.809 15.244 ( 2.626 -3.408 -1.382) 4.519 15.644 ( -7.396 2.600 -0.186) 7.842 15.712 ( 5.675 2.134 -6.451) 8.853 16.025 ( -0.151 0.708 -0.868) 1.130 16.275 ( 3.848 -1.646 3.116) 5.218 16.353 ( 2.932 -3.378 -1.758) 4.806 16.719 ( 2.860 -3.484 3.104) 5.473 17.377 ( -4.972 8.432 -2.067) 10.004 17.882 ( -3.673 2.116 2.485) 4.914 17.978 ( 3.244 6.975 -3.783) 8.573 18.367 ( 5.221 -8.320 -1.299) 9.907 18.699 ( 0.133 0.951 5.268) 5.355 20.441 ( 3.071 -4.246 0.727) 5.290 20.477 ( 3.358 -4.682 -0.445) 5.779 21.121 ( 0.339 0.636 -2.039) 2.162 21.514 ( -0.257 0.747 0.578) 0.978 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.822 6.434 4.073) 9.013 2.043 ( -0.545 0.863 -4.190) 4.312 2.397 ( 1.961 -0.285 -1.097) 2.265 2.456 ( 4.846 -1.126 2.546) 5.589 2.533 ( 4.502 1.240 3.149) 5.633 2.703 ( 2.072 -1.938 -0.586) 2.897 2.924 ( 2.749 -2.970 0.392) 4.066 3.078 ( 1.704 6.897 -1.727) 7.311 3.259 ( 2.529 3.393 -3.630) 5.575 3.472 ( -2.303 -1.297 0.505) 2.691 3.546 ( 4.316 -1.434 -2.600) 5.239 3.572 ( -2.217 -0.956 1.947) 3.102 3.638 ( 8.572 0.253 -2.229) 8.861 3.774 ( 2.287 -0.200 -6.694) 7.077 3.930 ( -0.829 3.684 8.491) 9.293 3.958 ( -4.364 -0.885 0.404) 4.471 4.119 ( -3.504 -2.823 -0.813) 4.572 4.328 ( 0.383 -5.413 3.471) 6.441 4.407 ( -3.054 -3.132 -4.992) 6.638 4.602 ( 1.438 -3.151 4.101) 5.368 4.629 ( 2.559 0.701 -1.382) 2.992 4.707 ( -1.976 -0.229 -1.312) 2.383 4.856 ( 4.019 2.205 2.111) 5.047 4.991 ( 3.855 -6.264 -1.087) 7.435 5.118 ( -4.896 2.618 0.471) 5.572 5.385 ( 9.829 1.214 0.999) 9.954 5.474 ( 1.970 -1.273 -3.603) 4.299 5.533 ( 0.616 1.597 6.637) 6.854 5.616 ( -6.954 3.758 -2.707) 8.355 5.750 ( 4.686 0.129 -1.953) 5.078 5.853 ( 5.857 0.171 -0.171) 5.862 6.337 ( 0.452 -5.315 1.054) 5.437 6.371 ( -0.036 0.457 -1.661) 1.723 6.648 ( -0.744 -2.978 3.577) 4.713 7.011 ( -4.858 1.113 0.679) 5.030 7.096 ( -4.935 -2.700 -0.655) 5.663 7.537 ( -4.429 2.862 0.191) 5.277 7.776 ( 0.132 -0.006 -0.267) 0.298 8.020 ( -0.002 1.429 -1.210) 1.872 8.947 ( -5.131 1.400 0.677) 5.361 9.124 ( -0.624 0.184 -1.355) 1.503 9.242 ( -1.718 -1.791 -1.582) 2.943 9.502 ( -0.076 -4.915 3.288) 5.914 9.922 ( 1.641 -0.745 4.467) 4.817 9.976 ( -1.035 1.899 -1.727) 2.768 10.127 ( 2.201 1.764 -4.061) 4.944 10.377 ( -1.176 -0.477 -3.990) 4.187 10.468 ( 2.869 2.430 5.016) 6.268 10.896 ( -1.923 2.848 -3.291) 4.758 11.162 ( -0.082 1.230 1.929) 2.289 11.236 ( -0.254 -3.073 -2.241) 3.812 11.337 ( 1.862 -0.070 3.653) 4.101 11.544 ( -2.123 -1.333 0.061) 2.507 11.699 ( 1.781 5.254 -2.638) 6.143 12.000 ( 1.300 -4.446 4.184) 6.242 12.094 ( 0.923 -5.660 4.081) 7.038 12.162 ( -2.021 -4.115 0.539) 4.616 12.479 ( -2.396 3.222 -3.892) 5.592 12.607 ( -4.214 7.555 -4.401) 9.706 12.638 ( 1.253 5.126 -3.581) 6.377 12.962 ( 7.884 -0.385 -3.936) 8.820 13.095 ( -8.865 2.345 5.123) 10.504 13.246 ( 0.465 -0.219 1.656) 1.734 13.331 ( -8.538 5.115 0.414) 9.961 13.794 ( -3.228 -1.558 0.664) 3.645 13.804 ( -2.703 -1.310 1.242) 3.251 14.171 ( -1.794 0.999 0.788) 2.199 14.275 ( -3.713 -5.974 -11.125) 13.162 14.412 ( 0.482 -1.297 7.821) 7.942 14.608 ( 0.668 2.921 1.730) 3.460 14.766 ( 2.879 -4.132 0.340) 5.048 14.900 ( -1.206 -0.614 1.473) 2.000 15.118 ( 4.440 2.636 1.642) 5.419 15.233 ( 0.465 0.360 1.137) 1.280 15.322 ( 2.213 -4.374 -3.299) 5.909 15.507 ( -4.522 3.178 1.987) 5.874 15.796 ( 5.079 0.996 -6.135) 8.027 16.000 ( 0.001 2.964 1.826) 3.482 16.310 ( -2.432 -2.836 1.987) 4.232 16.410 ( 1.648 -0.732 -2.747) 3.286 16.804 ( 0.702 -7.099 3.998) 8.178 17.194 ( -7.266 7.147 -3.377) 10.737 17.806 ( -4.355 -0.086 3.087) 5.339 17.952 ( 0.873 4.533 -2.725) 5.361 18.500 ( 2.180 -5.329 -0.121) 5.758 18.693 ( 0.400 1.306 1.367) 1.932 20.526 ( 3.519 -1.840 1.135) 4.130 20.563 ( 3.487 -1.428 -1.025) 3.905 21.128 ( 0.932 0.676 -0.532) 1.268 21.511 ( 1.421 1.543 0.185) 2.105 ======================= Grid point 16 (11/117) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.504 8.408 5.134) 9.865 2.033 ( 0.047 0.050 -3.692) 3.693 2.359 ( -5.345 2.039 3.026) 6.472 2.495 ( 0.718 1.180 0.832) 1.612 2.540 ( -0.728 5.896 -1.116) 6.045 2.720 ( -0.687 0.623 1.477) 1.744 2.921 ( -2.526 1.991 -0.899) 3.340 3.080 ( 3.131 3.593 -1.554) 5.013 3.185 ( -6.445 3.402 0.506) 7.305 3.390 ( -5.938 -1.273 -0.723) 6.116 3.534 ( -0.630 1.275 2.217) 2.634 3.589 ( 0.400 2.266 -2.569) 3.449 3.740 ( 5.160 2.689 -12.988) 14.231 3.828 ( 1.517 1.525 11.599) 11.797 3.940 ( 4.164 0.535 1.754) 4.549 4.016 ( 10.162 -3.052 0.276) 10.614 4.092 ( -4.073 -5.830 -3.077) 7.749 4.365 ( -3.008 -1.870 -2.318) 4.233 4.437 ( 1.707 -1.930 -2.475) 3.573 4.532 ( -6.692 -1.524 -2.716) 7.381 4.654 ( 0.293 2.609 2.979) 3.971 4.687 ( -0.931 0.011 1.293) 1.594 4.846 ( 1.408 -0.077 3.077) 3.385 4.977 ( -7.793 1.562 -0.959) 8.006 5.201 ( 7.161 -0.905 4.036) 8.270 5.292 ( -10.490 2.306 -1.177) 10.805 5.398 ( -4.229 4.127 1.365) 6.065 5.540 ( 2.761 2.599 -1.978) 4.277 5.646 ( 1.353 -1.102 4.674) 4.989 5.807 ( 5.563 3.167 2.309) 6.805 6.019 ( 14.368 3.458 -6.718) 16.233 6.361 ( 1.387 0.111 2.039) 2.468 6.407 ( 1.726 -1.578 -4.817) 5.355 6.717 ( 3.890 -2.807 4.308) 6.448 6.987 ( 1.983 -2.511 -1.594) 3.574 7.075 ( -2.871 -6.743 -0.631) 7.356 7.480 ( -1.560 -1.151 0.443) 1.989 7.771 ( -0.460 0.257 1.480) 1.571 8.017 ( 0.856 0.571 0.118) 1.036 8.860 ( -5.891 -2.934 -0.832) 6.634 9.104 ( -3.132 -2.363 -0.765) 3.997 9.267 ( 3.681 -0.393 -1.695) 4.072 9.598 ( 5.299 -4.249 2.287) 7.167 9.932 ( 0.308 2.155 1.847) 2.855 9.975 ( 0.975 -1.125 3.894) 4.169 10.119 ( -0.271 3.222 3.143) 4.509 10.336 ( -3.038 -0.124 -7.650) 8.232 10.478 ( 1.130 2.686 -3.014) 4.192 10.868 ( 0.612 -0.078 1.217) 1.365 11.165 ( 0.988 0.115 2.222) 2.435 11.257 ( 0.142 -2.967 -1.929) 3.542 11.366 ( 1.627 3.431 1.708) 4.164 11.530 ( -1.422 -3.219 1.245) 3.733 11.719 ( 5.757 3.828 -6.726) 9.646 11.995 ( -6.367 -1.007 3.012) 7.115 12.126 ( -2.679 2.536 -2.217) 4.304 12.171 ( -1.113 -7.892 2.097) 8.242 12.427 ( -0.937 -1.441 3.010) 3.466 12.506 ( 0.113 -0.145 -0.240) 0.303 12.592 ( -2.793 5.500 -3.829) 7.260 12.937 ( -5.337 5.563 5.228) 9.315 13.100 ( 6.241 -3.415 -6.494) 9.632 13.291 ( 3.751 -0.061 2.877) 4.728 13.316 ( 7.463 -5.740 -0.809) 9.450 13.777 ( -1.501 -4.108 0.896) 4.465 13.808 ( 0.119 -2.576 0.304) 2.596 14.095 ( -6.492 -0.123 -0.306) 6.500 14.280 ( -2.800 -6.412 -9.942) 12.157 14.440 ( 0.338 -1.852 9.578) 9.761 14.598 ( 1.818 3.847 5.147) 6.678 14.807 ( -1.604 -0.692 1.012) 2.018 14.894 ( 0.645 -0.490 -2.924) 3.034 15.138 ( 2.798 5.874 -0.894) 6.568 15.234 ( 0.109 0.495 0.800) 0.947 15.377 ( -1.414 -1.950 -7.697) 8.065 15.460 ( 2.176 -0.528 7.933) 8.242 15.826 ( 1.677 4.107 -6.554) 7.914 15.998 ( 2.514 1.496 4.751) 5.580 16.263 ( -6.315 -3.065 0.818) 7.067 16.420 ( -0.721 -0.144 -1.965) 2.098 16.861 ( -3.365 -4.709 0.994) 5.872 17.017 ( -7.659 -0.418 -2.049) 7.939 17.740 ( -5.830 -2.945 3.257) 7.298 17.917 ( -0.748 2.673 -2.107) 3.485 18.531 ( -2.432 -1.402 0.718) 2.898 18.697 ( 2.002 1.817 -0.848) 2.834 20.593 ( 4.043 1.207 1.776) 4.578 20.626 ( 4.566 1.535 -1.753) 5.127 21.126 ( -0.066 1.358 0.264) 1.385 21.533 ( 3.443 2.262 -0.058) 4.120 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -4.232 12.170 5.590) 14.045 2.001 ( -6.806 3.875 -1.488) 7.972 2.161 ( -8.304 6.805 6.644) 12.626 2.454 ( -4.186 1.140 -4.013) 5.910 2.486 ( 1.874 4.031 0.229) 4.451 2.674 ( -1.400 4.801 0.555) 5.032 2.851 ( -0.949 4.801 -0.924) 4.981 3.005 ( -9.462 3.862 0.497) 10.232 3.064 ( -2.368 1.653 -3.735) 4.721 3.367 ( 1.818 -0.307 4.479) 4.844 3.477 ( -4.752 6.030 0.696) 7.709 3.556 ( -1.376 2.283 -1.590) 3.104 3.740 ( -0.367 4.966 -5.757) 7.612 3.852 ( 2.218 1.494 0.982) 2.849 3.995 ( 1.163 0.265 2.536) 2.802 4.061 ( -6.373 0.717 -2.295) 6.812 4.154 ( -2.197 6.813 -2.672) 7.641 4.275 ( 4.319 1.046 4.320) 6.198 4.372 ( -3.425 -1.508 -7.544) 8.422 4.549 ( -0.038 -4.707 -3.757) 6.023 4.626 ( -0.427 3.036 3.560) 4.698 4.712 ( 2.520 -2.311 4.334) 5.520 4.813 ( -1.360 1.826 0.291) 2.296 4.899 ( -3.805 -3.207 -0.965) 5.069 5.203 ( -1.056 -2.224 0.127) 2.465 5.247 ( 0.912 7.070 5.571) 9.047 5.304 ( -0.765 2.344 1.823) 3.066 5.553 ( 1.014 2.120 -0.600) 2.425 5.649 ( 1.198 -0.904 -2.131) 2.607 5.871 ( 3.969 0.943 4.966) 6.426 6.136 ( 5.308 7.735 -4.249) 10.298 6.405 ( 0.695 1.653 1.339) 2.238 6.443 ( 6.807 0.924 -5.476) 8.784 6.807 ( 4.655 -0.178 3.403) 5.769 7.101 ( 5.263 -5.301 -1.994) 7.731 7.142 ( 1.366 -9.224 -0.742) 9.354 7.504 ( 0.134 -5.952 1.530) 6.147 7.769 ( 0.557 -0.379 -0.192) 0.701 8.037 ( 1.576 -0.600 1.960) 2.586 8.818 ( -5.289 -7.347 -2.562) 9.408 9.082 ( -2.827 -3.946 0.090) 4.854 9.344 ( 5.566 2.052 -0.310) 5.940 9.731 ( 5.420 -3.010 -0.591) 6.228 9.914 ( 0.378 2.086 0.091) 2.122 10.008 ( -0.864 -2.751 10.271) 10.668 10.055 ( -2.338 2.699 4.039) 5.391 10.301 ( -0.781 0.472 -9.677) 9.720 10.457 ( 0.417 2.216 -4.458) 4.996 10.922 ( 3.372 -3.809 4.550) 6.825 11.180 ( 0.281 0.049 1.665) 1.689 11.298 ( -3.677 2.611 -1.801) 4.856 11.323 ( 3.272 -2.644 -2.166) 4.732 11.578 ( 2.859 -2.549 0.207) 3.836 11.783 ( 6.231 3.759 -7.273) 10.289 11.867 ( -8.678 -0.822 3.654) 9.451 12.025 ( -3.661 4.185 -4.054) 6.881 12.202 ( -3.190 -4.552 1.370) 5.725 12.435 ( 2.222 1.437 2.984) 3.989 12.479 ( -4.052 5.671 -1.752) 7.187 12.622 ( 3.577 -10.645 3.523) 11.770 12.854 ( 0.421 -0.410 2.703) 2.766 13.244 ( 7.011 -3.662 -6.327) 10.129 13.369 ( 6.023 0.406 5.107) 7.907 13.588 ( 12.676 -10.761 -2.874) 16.874 13.819 ( 0.433 -4.057 1.930) 4.513 13.853 ( 1.064 -3.804 -0.248) 3.958 13.985 ( -7.365 -4.105 0.445) 8.443 14.297 ( -2.912 -6.872 -8.254) 11.128 14.461 ( -0.153 -1.276 7.786) 7.891 14.592 ( 1.000 2.822 9.264) 9.736 14.762 ( -1.751 1.812 -2.080) 3.267 14.905 ( 0.149 0.895 -4.113) 4.211 15.090 ( -0.770 6.832 -0.975) 6.944 15.232 ( 1.338 1.446 0.367) 2.004 15.343 ( -1.058 1.868 -5.599) 5.997 15.537 ( 1.606 -3.591 7.280) 8.275 15.803 ( 3.117 5.546 -5.698) 8.541 16.022 ( -0.030 0.270 2.853) 2.865 16.187 ( -5.539 -2.927 0.717) 6.305 16.398 ( -1.260 0.372 0.424) 1.380 16.726 ( -9.972 3.480 -3.048) 10.993 17.015 ( -4.374 -13.803 -0.033) 14.480 17.666 ( -8.936 -6.085 2.612) 11.122 17.866 ( -3.310 1.191 -1.748) 3.928 18.466 ( -4.141 2.570 0.618) 4.913 18.708 ( 1.768 2.910 -1.310) 3.648 20.628 ( 3.693 5.634 2.436) 7.163 20.690 ( 6.828 3.957 -3.230) 8.527 21.107 ( -0.502 0.763 1.458) 1.721 21.572 ( 4.202 3.158 0.030) 5.256 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -6.912 19.567 5.189) 21.390 1.617 ( -20.093 17.813 8.105) 28.049 2.108 ( 0.414 0.284 1.226) 1.324 2.368 ( -6.035 0.629 -3.291) 6.902 2.485 ( 1.986 4.277 -1.102) 4.843 2.596 ( -0.660 7.306 0.790) 7.378 2.768 ( -6.565 9.928 -6.440) 13.533 2.812 ( -6.267 1.161 4.056) 7.554 3.000 ( -7.279 5.914 -7.140) 11.787 3.112 ( -12.570 16.409 6.069) 21.543 3.406 ( -0.087 5.702 -0.618) 5.736 3.507 ( 1.059 2.378 2.948) 3.933 3.668 ( -1.352 5.535 -2.489) 6.218 3.785 ( 3.082 7.039 -3.537) 8.459 3.972 ( -3.184 1.655 -2.786) 4.543 4.037 ( -1.986 1.592 3.603) 4.412 4.060 ( 4.889 2.264 3.396) 6.369 4.323 ( 0.004 -2.400 2.842) 3.720 4.449 ( 2.699 -1.999 -6.870) 7.647 4.564 ( -3.142 -5.043 -1.174) 6.056 4.573 ( -0.354 4.185 -6.548) 7.779 4.748 ( -1.939 -1.930 6.586) 7.131 4.776 ( -5.367 -2.857 -3.838) 7.190 4.895 ( 2.858 1.884 5.551) 6.522 5.166 ( 2.035 10.895 6.229) 12.714 5.201 ( -1.089 -3.859 -2.698) 4.833 5.391 ( 6.717 -4.557 2.672) 8.546 5.546 ( 1.433 0.711 -3.198) 3.575 5.704 ( 2.344 0.162 -1.743) 2.926 5.908 ( 1.434 1.545 5.976) 6.337 6.083 ( 0.491 8.241 -3.501) 8.967 6.386 ( 0.076 1.968 -0.275) 1.989 6.561 ( 7.577 1.532 -1.808) 7.939 6.862 ( 1.733 0.424 2.932) 3.432 7.209 ( 1.675 -3.750 -0.383) 4.125 7.282 ( 5.258 -5.709 -1.771) 7.961 7.606 ( 1.125 -12.738 3.785) 13.336 7.809 ( 3.128 -2.043 -6.260) 7.290 8.080 ( 1.600 -2.175 3.832) 4.688 8.822 ( -4.978 -10.410 -3.467) 12.048 9.090 ( -0.448 -2.603 0.853) 2.775 9.384 ( 3.420 4.709 0.913) 5.891 9.809 ( 2.229 2.010 -0.518) 3.046 9.912 ( -1.493 -3.195 -1.348) 3.776 9.934 ( -4.152 0.003 7.484) 8.558 10.105 ( 2.894 -3.701 5.853) 7.505 10.244 ( -4.856 0.316 -12.441) 13.359 10.498 ( 7.150 1.918 4.332) 8.577 11.036 ( 3.082 -4.062 4.030) 6.499 11.132 ( -3.829 1.136 -3.990) 5.645 11.252 ( -0.389 -3.164 -1.926) 3.725 11.425 ( 3.803 -3.549 -1.282) 5.357 11.631 ( 1.016 1.336 -2.193) 2.761 11.770 ( -3.501 -4.025 2.605) 5.937 11.841 ( 5.852 5.953 -4.912) 9.685 11.931 ( -3.174 3.371 -2.014) 5.050 12.166 ( -4.950 -2.429 0.811) 5.574 12.335 ( -4.476 7.665 2.454) 9.209 12.483 ( 6.191 3.443 2.478) 7.505 12.779 ( 3.026 -10.845 1.039) 11.307 12.953 ( 2.439 -10.016 -2.649) 10.643 13.396 ( 7.516 -2.515 -1.975) 8.168 13.472 ( 7.142 1.836 6.386) 9.756 13.777 ( -7.308 -1.899 0.026) 7.551 13.881 ( 4.746 -10.074 -4.276) 11.929 13.929 ( 6.372 -5.537 0.613) 8.464 14.029 ( 3.054 -8.160 2.303) 9.011 14.307 ( -3.345 -5.953 -3.917) 7.872 14.470 ( -0.670 -2.096 1.671) 2.763 14.568 ( -1.419 2.975 12.666) 13.088 14.742 ( -0.991 -2.252 -3.197) 4.034 14.884 ( 1.388 3.276 -6.169) 7.121 14.999 ( -2.803 3.765 -0.692) 4.744 15.261 ( 3.657 1.331 0.393) 3.911 15.309 ( 0.114 2.519 -3.423) 4.252 15.548 ( -2.241 0.050 5.260) 5.718 15.838 ( 4.801 2.292 -2.605) 5.923 15.977 ( -4.463 0.138 -0.118) 4.467 16.159 ( -0.808 -1.893 -0.780) 2.201 16.389 ( 2.568 3.091 3.638) 5.421 16.530 ( -10.104 0.374 -1.195) 10.181 17.089 ( -4.940 -15.880 -1.877) 16.736 17.557 ( -14.013 -9.614 -0.380) 16.998 17.773 ( -7.324 0.074 -0.880) 7.377 18.358 ( -3.682 5.582 0.574) 6.711 18.690 ( 0.750 5.084 -1.363) 5.317 20.592 ( 1.881 11.305 2.113) 11.653 20.779 ( 10.211 5.836 -6.438) 13.408 21.113 ( 0.635 -2.079 5.095) 5.540 21.602 ( 3.709 4.252 0.684) 5.683 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.895 31.181 5.188) 31.622 1.083 ( -17.957 24.769 8.651) 31.793 1.913 ( -31.692 31.139 -2.250) 44.487 2.134 ( -0.448 2.175 2.512) 3.353 2.385 ( -1.617 4.705 -9.318) 10.563 2.508 ( -2.146 2.882 4.062) 5.423 2.593 ( 1.940 6.183 -3.599) 7.413 2.723 ( -5.490 -2.772 5.479) 8.237 2.849 ( 7.727 9.353 -3.788) 12.710 3.059 ( 4.808 6.948 4.851) 9.743 3.253 ( -5.262 10.226 -5.411) 12.709 3.550 ( 3.692 1.085 4.042) 5.581 3.597 ( -0.040 4.544 -2.837) 5.357 3.849 ( 6.424 1.058 3.134) 7.226 3.896 ( -0.949 4.566 -1.972) 5.063 3.947 ( -2.887 3.416 2.374) 5.063 4.171 ( 5.592 -0.623 1.780) 5.901 4.319 ( -5.420 2.523 -1.005) 6.063 4.358 ( -2.682 -0.146 -1.253) 2.964 4.569 ( -1.990 -4.979 1.176) 5.489 4.620 ( 2.957 -2.406 -17.028) 17.450 4.713 ( -3.790 -2.070 6.157) 7.520 4.737 ( -2.923 -2.518 4.705) 6.085 4.897 ( 1.746 5.305 -0.040) 5.585 5.120 ( 3.258 9.063 7.080) 11.953 5.244 ( 0.305 -3.574 -0.008) 3.587 5.499 ( 3.525 2.348 -2.058) 4.710 5.626 ( 4.091 -4.764 -0.648) 6.313 5.675 ( -2.357 2.059 -2.108) 3.774 5.894 ( -0.817 1.619 5.885) 6.158 6.048 ( 1.232 2.069 -1.457) 2.814 6.373 ( 0.134 0.890 -0.033) 0.901 6.636 ( 3.296 3.160 1.193) 4.719 6.871 ( 0.030 -0.944 0.596) 1.117 7.234 ( -1.155 -1.456 0.827) 2.035 7.378 ( 3.156 1.311 -1.650) 3.795 7.791 ( 2.230 -16.624 3.808) 17.200 7.902 ( 4.453 -3.941 -8.127) 10.070 8.133 ( 0.729 -4.731 3.162) 5.737 8.852 ( -4.079 -11.167 -3.285) 12.334 9.097 ( 0.476 2.784 1.268) 3.096 9.404 ( 6.441 4.833 -0.068) 8.053 9.755 ( -5.280 0.530 1.108) 5.421 9.896 ( -1.925 -2.163 6.608) 7.214 9.951 ( -0.064 -2.477 0.792) 2.601 10.060 ( -6.364 2.639 -10.550) 12.600 10.287 ( 3.122 -9.803 4.319) 11.157 10.621 ( 9.862 3.602 9.273) 14.008 10.967 ( -7.939 0.707 -13.926) 16.045 11.197 ( 4.421 -3.599 3.219) 6.547 11.292 ( -1.921 -6.775 0.050) 7.042 11.487 ( -0.530 -3.009 -1.591) 3.445 11.599 ( -0.131 2.644 -0.290) 2.663 11.769 ( -1.942 6.156 -2.346) 6.869 11.842 ( 1.538 -2.835 2.711) 4.213 11.909 ( 3.482 2.407 -4.560) 6.222 12.076 ( -5.074 5.356 0.124) 7.378 12.230 ( -1.680 1.256 4.046) 4.558 12.580 ( 10.835 4.837 2.840) 12.200 12.941 ( 2.979 -10.910 0.266) 11.312 13.068 ( -1.101 -10.377 -5.266) 11.689 13.511 ( 2.403 -1.548 4.167) 5.053 13.573 ( 7.223 2.459 3.072) 8.225 13.671 ( -7.566 -3.520 0.178) 8.347 13.960 ( -1.309 -6.575 -1.168) 6.805 14.093 ( 3.348 -3.564 -3.439) 5.978 14.159 ( 3.726 -3.850 0.148) 5.360 14.312 ( -1.710 -3.537 1.780) 4.313 14.474 ( -1.603 -1.563 -1.906) 2.940 14.513 ( -0.196 3.541 11.325) 11.868 14.717 ( -6.610 -4.023 -6.237) 9.938 14.905 ( 2.220 -0.560 -4.974) 5.475 14.974 ( -0.607 -3.834 1.781) 4.271 15.317 ( 5.448 -0.963 -1.287) 5.680 15.336 ( 4.088 -0.281 -2.261) 4.680 15.500 ( -1.964 1.422 5.036) 5.590 15.862 ( -0.915 -0.106 -0.482) 1.039 15.909 ( -2.301 0.755 -0.243) 2.434 16.154 ( -2.310 2.042 -2.339) 3.870 16.409 ( 4.639 1.892 -8.579) 9.935 16.486 ( 6.627 -0.426 15.672) 17.021 17.142 ( -6.664 -12.471 -0.957) 14.172 17.372 ( -24.446 -14.788 -11.177) 30.680 17.632 ( -7.822 0.441 3.265) 8.487 18.245 ( -1.964 7.367 0.428) 7.636 18.630 ( -0.401 7.501 -1.429) 7.646 20.476 ( 0.115 14.507 0.894) 14.535 20.918 ( 13.657 5.028 -13.417) 19.794 21.171 ( 2.020 -4.201 12.966) 13.779 21.609 ( 2.872 5.281 2.088) 6.364 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 30.878 0.000) 30.878 0.765 ( 0.000 37.605 0.000) 37.605 1.066 ( 0.000 51.011 0.000) 51.011 2.129 ( 0.000 0.697 0.000) 0.697 2.352 ( 0.000 0.112 0.000) 0.112 2.470 ( 0.000 0.624 0.000) 0.624 2.545 ( 0.000 8.239 0.000) 8.239 2.721 ( -0.000 -4.973 -0.000) 4.973 2.921 ( 0.000 0.880 0.000) 0.880 2.986 ( 0.000 16.404 0.000) 16.404 3.154 ( 0.000 0.038 0.000) 0.038 3.545 ( 0.000 2.316 0.000) 2.316 3.610 ( 0.000 0.342 0.000) 0.342 3.813 ( 0.000 5.595 0.000) 5.595 3.894 ( 0.000 2.650 0.000) 2.650 3.975 ( -0.000 -2.529 -0.000) 2.529 4.227 ( 0.000 0.523 0.000) 0.523 4.246 ( -0.000 -0.510 -0.000) 0.510 4.354 ( -0.000 -2.746 -0.000) 2.746 4.601 ( -0.000 -4.250 -0.000) 4.250 4.633 ( 0.000 1.479 0.000) 1.479 4.691 ( -0.000 -2.979 -0.000) 2.979 4.732 ( -0.000 -2.021 -0.000) 2.021 4.870 ( 0.000 5.031 0.000) 5.031 5.057 ( 0.000 10.441 0.000) 10.441 5.275 ( -0.000 -3.189 -0.000) 3.189 5.490 ( 0.000 4.017 0.000) 4.017 5.580 ( 0.000 5.459 0.000) 5.459 5.745 ( -0.000 -6.981 -0.000) 6.981 5.881 ( -0.000 -0.237 -0.000) 0.237 6.036 ( 0.000 1.189 0.000) 1.189 6.370 ( 0.000 0.374 0.000) 0.374 6.606 ( 0.000 4.313 0.000) 4.313 6.897 ( -0.000 -1.933 -0.000) 1.933 7.225 ( -0.000 -0.390 -0.000) 0.390 7.373 ( 0.000 3.098 0.000) 3.098 7.942 ( -0.000 -8.210 -0.000) 8.210 7.991 ( -0.000 -4.021 -0.000) 4.021 8.225 ( -0.000 -11.466 -0.000) 11.466 8.918 ( -0.000 -10.150 -0.000) 10.150 9.047 ( 0.000 6.670 0.000) 6.670 9.494 ( 0.000 7.259 0.000) 7.259 9.669 ( -0.000 -7.448 -0.000) 7.448 9.889 ( -0.000 -0.422 -0.000) 0.422 9.918 ( 0.000 2.003 0.000) 2.003 9.998 ( 0.000 0.996 0.000) 0.996 10.440 ( -0.000 -12.099 -0.000) 12.099 10.751 ( 0.000 2.512 0.000) 2.512 10.789 ( 0.000 4.199 0.000) 4.199 11.272 ( -0.000 -0.305 -0.000) 0.305 11.301 ( -0.000 -4.870 -0.000) 4.870 11.504 ( -0.000 -4.189 -0.000) 4.189 11.581 ( 0.000 2.207 0.000) 2.207 11.677 ( 0.000 5.289 0.000) 5.289 11.895 ( 0.000 0.314 0.000) 0.314 11.919 ( 0.000 8.838 0.000) 8.838 11.948 ( -0.000 -0.649 -0.000) 0.649 12.231 ( -0.000 -1.914 -0.000) 1.914 12.715 ( 0.000 0.353 0.000) 0.353 13.072 ( -0.000 -9.256 -0.000) 9.256 13.129 ( -0.000 -7.655 -0.000) 7.655 13.474 ( 0.000 1.662 0.000) 1.662 13.615 ( 0.000 2.987 0.000) 2.987 13.653 ( -0.000 -2.862 -0.000) 2.862 13.989 ( -0.000 -2.909 -0.000) 2.909 14.148 ( -0.000 -4.379 -0.000) 4.379 14.203 ( -0.000 -0.575 -0.000) 0.575 14.307 ( -0.000 -0.237 -0.000) 0.237 14.439 ( 0.000 4.522 0.000) 4.522 14.558 ( -0.000 -2.325 -0.000) 2.325 14.601 ( 0.000 2.386 0.000) 2.386 14.943 ( -0.000 -0.963 -0.000) 0.963 15.010 ( -0.000 -7.157 -0.000) 7.157 15.347 ( 0.000 4.380 0.000) 4.380 15.476 ( -0.000 -2.766 -0.000) 2.766 15.492 ( -0.000 -10.743 -0.000) 10.743 15.849 ( -0.000 -0.391 -0.000) 0.391 15.883 ( 0.000 0.908 0.000) 0.908 16.075 ( 0.000 3.190 0.000) 3.190 16.536 ( -0.000 -8.047 -0.000) 8.047 16.730 ( -0.000 -1.034 -0.000) 1.034 16.967 ( 0.000 0.475 0.000) 0.475 17.156 ( -0.000 -3.536 -0.000) 3.536 17.586 ( -0.000 -4.191 -0.000) 4.191 18.156 ( 0.000 7.139 0.000) 7.139 18.538 ( 0.000 8.726 0.000) 8.726 20.335 ( 0.000 12.908 0.000) 12.908 21.066 ( -0.000 -2.167 -0.000) 2.167 21.259 ( -0.000 -5.443 -0.000) 5.443 21.591 ( 0.000 4.966 0.000) 4.966 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 8.169 0.000 6.072) 10.179 2.072 ( 24.054 0.000 -3.164) 24.261 2.075 ( -0.580 -0.000 -7.732) 7.753 2.470 ( -0.473 -0.000 0.247) 0.534 2.473 ( 3.081 0.000 11.429) 11.837 2.559 ( 7.099 0.000 -5.610) 9.048 2.738 ( 10.566 0.000 1.861) 10.729 3.202 ( 9.310 0.000 -6.630) 11.430 3.300 ( 10.236 0.000 0.567) 10.252 3.334 ( -0.238 -0.000 1.622) 1.640 3.379 ( 4.570 0.000 -3.657) 5.853 3.498 ( 8.051 0.000 -5.713) 9.872 3.576 ( -1.656 -0.000 1.671) 2.352 3.645 ( 20.235 0.000 -8.041) 21.774 3.915 ( -6.081 -0.000 2.825) 6.705 4.052 ( -0.108 -0.000 -2.644) 2.646 4.096 ( 4.803 0.000 10.495) 11.542 4.263 ( 2.609 0.000 0.742) 2.713 4.365 ( 1.531 0.000 3.897) 4.187 4.444 ( -4.198 -0.000 -0.903) 4.294 4.529 ( -4.179 -0.000 1.664) 4.498 4.748 ( -3.570 -0.000 -1.081) 3.730 4.840 ( -4.766 -0.000 1.149) 4.903 5.098 ( 9.880 0.000 -5.511) 11.313 5.113 ( -4.783 -0.000 1.241) 4.942 5.251 ( 12.872 0.000 -2.673) 13.146 5.500 ( -3.023 -0.000 1.494) 3.372 5.561 ( -10.836 -0.000 1.416) 10.928 5.618 ( 9.132 0.000 -0.296) 9.137 5.672 ( -1.373 -0.000 -2.255) 2.640 5.774 ( 3.299 0.000 3.356) 4.706 6.219 ( -2.994 -0.000 2.235) 3.736 6.419 ( -4.814 -0.000 -2.217) 5.300 6.709 ( -5.502 -0.000 0.919) 5.578 7.098 ( -6.124 -0.000 0.036) 6.124 7.213 ( -7.735 -0.000 3.885) 8.655 7.739 ( -9.517 -0.000 0.094) 9.518 7.764 ( 0.203 0.000 -0.919) 0.941 8.062 ( -0.871 -0.000 -2.923) 3.050 9.102 ( -6.246 -0.000 1.146) 6.350 9.112 ( 3.093 0.000 -4.124) 5.155 9.274 ( -4.949 -0.000 -1.955) 5.321 9.433 ( -3.836 -0.000 6.460) 7.513 9.869 ( 1.154 0.000 2.642) 2.883 10.076 ( -4.779 -0.000 -2.086) 5.214 10.095 ( 3.688 0.000 -10.572) 11.197 10.361 ( 1.395 0.000 -2.970) 3.281 10.442 ( 4.466 0.000 13.265) 13.996 10.986 ( -2.423 -0.000 -2.890) 3.771 11.143 ( 2.755 0.000 1.775) 3.277 11.280 ( -2.653 -0.000 -3.892) 4.710 11.308 ( -4.242 -0.000 3.079) 5.242 11.605 ( -3.075 -0.000 -2.583) 4.016 11.815 ( -1.111 -0.000 7.173) 7.258 11.878 ( 1.710 0.000 -3.679) 4.057 11.954 ( 0.400 0.000 -0.824) 0.916 12.054 ( 0.161 0.000 5.936) 5.938 12.449 ( 10.986 0.000 -1.844) 11.139 12.709 ( 7.770 0.000 -1.954) 8.012 12.913 ( -11.538 -0.000 -7.595) 13.814 13.010 ( -8.123 -0.000 -5.918) 10.050 13.220 ( -0.294 -0.000 1.958) 1.980 13.250 ( -5.164 -0.000 7.820) 9.371 13.700 ( -13.667 -0.000 -2.631) 13.918 13.859 ( -7.451 -0.000 1.721) 7.647 13.864 ( -5.474 -0.000 2.831) 6.163 14.192 ( 1.398 0.000 2.890) 3.210 14.239 ( -6.130 -0.000 -13.410) 14.745 14.452 ( 4.837 0.000 -2.123) 5.282 14.536 ( -6.849 -0.000 15.621) 17.057 14.707 ( 1.930 0.000 -5.336) 5.674 14.871 ( -0.268 -0.000 1.216) 1.245 15.057 ( 3.104 0.000 5.772) 6.553 15.224 ( 4.068 0.000 -6.784) 7.910 15.224 ( 2.037 0.000 6.330) 6.650 15.659 ( -2.870 -0.000 -4.825) 5.614 15.758 ( -0.808 -0.000 -5.480) 5.540 16.026 ( 2.140 0.000 1.629) 2.689 16.272 ( 1.724 0.000 3.098) 3.545 16.296 ( 6.692 0.000 -0.640) 6.723 16.685 ( 1.260 0.000 1.432) 1.907 17.467 ( -6.969 -0.000 -2.078) 7.272 17.903 ( -5.105 -0.000 2.107) 5.523 18.101 ( -1.595 -0.000 -2.144) 2.672 18.232 ( 10.589 0.000 -3.344) 11.105 18.711 ( -0.750 -0.000 7.332) 7.371 20.390 ( 5.319 0.000 0.519) 5.344 20.428 ( 6.178 0.000 -0.502) 6.198 21.128 ( 0.120 0.000 -2.347) 2.350 21.523 ( 0.209 0.000 0.687) 0.718 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.366 3.519 5.577) 8.502 2.060 ( -0.512 0.666 -6.497) 6.551 2.383 ( 8.318 -0.713 1.095) 8.420 2.450 ( 0.369 0.244 0.742) 0.863 2.553 ( 8.692 0.480 6.057) 10.605 2.685 ( 7.060 0.368 -0.626) 7.097 2.859 ( 2.820 -2.773 0.909) 4.058 3.221 ( 0.645 5.787 -1.175) 5.941 3.340 ( 1.537 4.003 -5.302) 6.819 3.423 ( -2.860 -4.120 -3.849) 6.322 3.516 ( 10.338 -1.044 2.572) 10.704 3.540 ( -0.901 -0.834 -3.378) 3.595 3.647 ( 10.367 0.361 -3.076) 10.820 3.793 ( 2.287 2.248 -4.498) 5.524 3.877 ( -1.797 -5.203 1.915) 5.828 4.033 ( 0.600 4.390 1.212) 4.593 4.090 ( -5.723 -0.497 -1.512) 5.940 4.250 ( -2.177 -2.188 10.939) 11.366 4.375 ( -3.054 0.554 -2.141) 3.770 4.481 ( 1.208 -6.637 0.271) 6.751 4.642 ( 12.651 -0.480 -4.158) 13.325 4.687 ( -3.827 -0.354 1.661) 4.186 4.786 ( 0.241 -4.201 -3.324) 5.363 5.019 ( -3.828 4.055 4.841) 7.385 5.165 ( -4.621 0.994 1.016) 4.835 5.421 ( 8.323 1.621 0.073) 8.479 5.445 ( 0.521 -1.124 -1.672) 2.081 5.561 ( 8.285 1.085 4.794) 9.633 5.659 ( -1.705 0.104 -0.908) 1.935 5.767 ( 6.676 1.591 -4.752) 8.347 5.854 ( 9.028 0.076 1.079) 9.093 6.222 ( 0.773 -4.613 1.340) 4.866 6.358 ( -1.991 -1.154 -1.634) 2.822 6.629 ( -3.064 0.562 2.949) 4.290 6.993 ( -7.379 -1.519 0.307) 7.540 7.081 ( -7.134 0.305 2.982) 7.738 7.584 ( -7.728 1.406 -0.014) 7.855 7.774 ( 0.653 -0.102 -2.575) 2.658 8.047 ( -0.250 0.920 -1.172) 1.510 8.972 ( -8.511 0.747 1.181) 8.624 9.143 ( -1.318 1.879 -2.648) 3.504 9.194 ( -2.237 -2.888 -2.815) 4.611 9.421 ( 0.710 -2.424 5.575) 6.120 9.905 ( 2.138 -0.545 4.922) 5.394 10.008 ( -2.530 0.896 -1.758) 3.209 10.155 ( 3.884 0.834 -5.064) 6.436 10.378 ( 0.223 0.237 -5.237) 5.247 10.503 ( 3.071 0.940 7.067) 7.763 10.943 ( -2.029 1.299 -4.089) 4.746 11.188 ( 1.230 -1.396 -0.967) 2.096 11.218 ( -1.239 3.960 2.136) 4.667 11.300 ( 0.951 -3.059 1.812) 3.680 11.545 ( -3.123 0.879 -2.463) 4.073 11.797 ( 0.261 2.232 -0.157) 2.252 11.911 ( 2.606 -1.643 2.037) 3.694 12.002 ( 1.538 -2.902 4.414) 5.501 12.071 ( -0.661 -4.116 5.061) 6.557 12.564 ( 0.855 3.448 -7.023) 7.870 12.716 ( -8.713 2.359 -7.117) 11.495 12.730 ( -0.740 3.404 -3.683) 5.069 12.970 ( 5.866 0.863 -0.629) 5.962 13.104 ( -11.580 -0.624 2.693) 11.906 13.251 ( 2.862 0.328 2.397) 3.748 13.460 ( -10.998 6.004 1.181) 12.586 13.744 ( -9.372 -3.073 2.650) 10.212 13.769 ( -4.110 -1.504 1.675) 4.686 14.161 ( -4.175 -2.624 -8.837) 10.120 14.200 ( -1.239 0.131 -2.545) 2.834 14.438 ( 0.042 3.625 9.009) 9.711 14.577 ( 2.563 -5.389 1.986) 6.289 14.732 ( 2.270 0.588 -0.708) 2.450 14.878 ( 0.201 -1.054 1.028) 1.487 15.139 ( 6.114 -0.225 7.047) 9.332 15.232 ( -1.640 -0.301 3.275) 3.675 15.288 ( 4.056 0.346 -9.363) 10.210 15.555 ( -4.823 1.443 -0.350) 5.046 15.814 ( 4.800 0.476 -7.287) 8.739 16.049 ( 1.347 1.514 3.362) 3.926 16.270 ( -2.437 -0.808 2.946) 3.908 16.390 ( 3.458 -0.921 -2.643) 4.449 16.694 ( -1.752 -3.289 2.169) 4.312 17.303 ( -10.341 3.120 -2.683) 11.130 17.809 ( -6.198 0.161 2.998) 6.886 18.044 ( -1.734 3.635 -2.723) 4.862 18.395 ( 5.493 -4.040 -0.105) 6.819 18.710 ( 0.846 0.420 2.349) 2.532 20.490 ( 5.519 -1.238 0.873) 5.723 20.538 ( 6.295 -0.760 -0.806) 6.392 21.140 ( 1.464 0.424 -0.769) 1.707 21.538 ( 2.249 0.889 0.248) 2.431 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 3.414 6.496 4.821) 8.781 2.043 ( -0.217 0.865 -5.348) 5.421 2.388 ( -2.969 1.147 0.967) 3.327 2.484 ( 0.989 -1.444 1.751) 2.476 2.682 ( 6.232 4.637 1.723) 7.956 2.739 ( 1.991 4.385 3.330) 5.855 2.918 ( 0.786 -1.455 0.744) 1.813 3.186 ( 1.077 5.078 -2.065) 5.587 3.248 ( -6.610 2.275 0.106) 6.991 3.380 ( -3.198 0.522 -3.906) 5.075 3.507 ( -2.329 -4.173 0.434) 4.799 3.645 ( 2.804 3.280 -1.550) 4.585 3.778 ( 5.447 0.957 -12.119) 13.321 3.844 ( 3.295 -0.195 6.073) 6.912 3.951 ( 3.785 -4.363 1.577) 5.988 3.982 ( -1.114 0.226 3.897) 4.059 4.012 ( 2.988 4.002 0.403) 5.011 4.306 ( 2.455 -4.121 1.267) 4.961 4.358 ( 0.831 -2.569 -5.108) 5.778 4.562 ( -2.573 -2.166 -0.910) 3.484 4.595 ( -3.538 -3.205 -2.958) 5.616 4.672 ( -1.460 0.417 -1.850) 2.393 4.916 ( -0.926 5.761 9.985) 11.565 4.943 ( -1.468 -7.092 -7.399) 10.354 5.145 ( 6.203 -1.447 8.821) 10.881 5.303 ( -11.735 -1.010 -1.235) 11.843 5.523 ( -1.179 7.118 0.976) 7.281 5.637 ( 4.090 4.838 -3.547) 7.261 5.663 ( 3.457 2.608 4.770) 6.442 5.862 ( 7.736 2.001 3.698) 8.805 6.069 ( 16.802 1.781 -8.441) 18.887 6.308 ( 2.972 -5.281 -0.105) 6.061 6.378 ( 2.001 -1.123 -1.996) 3.042 6.638 ( 2.734 -3.234 5.784) 7.169 6.909 ( -5.939 -5.494 0.328) 8.097 7.000 ( -2.035 -0.436 -0.122) 2.084 7.474 ( -4.377 0.075 0.095) 4.379 7.779 ( 0.124 0.398 -0.470) 0.628 8.035 ( 0.077 1.065 -0.435) 1.153 8.823 ( -9.091 -0.938 -0.062) 9.139 9.058 ( -6.215 -1.869 -1.284) 6.616 9.253 ( 5.189 -0.933 -2.026) 5.648 9.504 ( 4.750 -4.060 3.755) 7.290 9.940 ( 0.682 -0.957 7.432) 7.525 9.973 ( -0.830 0.723 -1.733) 2.053 10.188 ( 1.865 3.014 1.233) 3.753 10.347 ( -2.331 0.937 -7.421) 7.835 10.527 ( 1.176 1.967 -1.970) 3.023 10.894 ( -1.209 2.058 -1.682) 2.920 11.181 ( 0.053 1.733 4.026) 4.384 11.211 ( 0.361 -1.607 -1.220) 2.050 11.379 ( 4.349 -2.390 2.299) 5.469 11.482 ( -4.556 -0.639 -3.000) 5.492 11.808 ( 5.129 3.717 -5.032) 8.090 11.954 ( -3.382 -2.737 2.884) 5.220 12.032 ( 0.683 -3.839 7.131) 8.127 12.131 ( 1.799 -2.683 3.998) 5.140 12.435 ( -6.162 3.220 -5.576) 8.913 12.548 ( -6.018 2.337 -6.128) 8.901 12.714 ( -2.031 6.377 -2.208) 7.047 12.977 ( -2.151 -3.581 2.992) 5.138 13.097 ( 6.694 1.998 -2.552) 7.437 13.256 ( -2.979 2.976 1.063) 4.343 13.304 ( 2.728 0.491 2.514) 3.742 13.663 ( -5.889 -7.143 0.537) 9.273 13.744 ( -2.494 -3.514 1.275) 4.494 14.106 ( -5.833 -0.195 -0.231) 5.841 14.162 ( -3.557 -3.612 -9.300) 10.592 14.432 ( 1.161 1.137 8.443) 8.597 14.644 ( 1.995 -0.069 3.989) 4.460 14.769 ( 0.784 -1.387 1.909) 2.487 14.897 ( 1.619 0.093 -1.232) 2.036 15.202 ( -1.963 -2.408 -1.221) 3.339 15.247 ( 6.384 2.695 5.866) 9.079 15.339 ( 3.085 0.613 -9.884) 10.373 15.493 ( -0.708 2.069 3.785) 4.372 15.866 ( 1.560 -0.046 -7.885) 8.038 16.051 ( 1.857 3.033 5.906) 6.894 16.212 ( -5.604 -1.309 2.786) 6.394 16.415 ( -0.610 0.134 -4.756) 4.797 16.705 ( -3.671 -7.903 2.250) 8.999 17.076 ( -12.795 3.250 -2.482) 13.432 17.700 ( -7.677 -1.138 2.850) 8.267 17.978 ( -2.244 2.893 -2.077) 4.210 18.482 ( 1.023 -2.679 1.458) 3.218 18.732 ( 2.765 1.370 -0.492) 3.125 20.590 ( 5.080 -0.861 1.134) 5.276 20.643 ( 6.189 0.273 -0.992) 6.274 21.157 ( 1.343 1.470 -0.068) 1.993 21.582 ( 4.706 2.175 -0.024) 5.185 ======================= Grid point 26 (19/117) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 1.816 11.043 4.997) 12.256 2.036 ( 0.185 0.792 -5.500) 5.560 2.283 ( -7.376 3.190 4.698) 9.308 2.488 ( -1.781 2.262 0.191) 2.885 2.608 ( -1.866 9.868 1.931) 10.227 2.751 ( 2.182 2.805 1.751) 3.962 2.895 ( -2.721 -0.085 1.079) 2.928 3.085 ( -7.485 3.008 -3.935) 8.975 3.149 ( -1.276 6.414 -4.393) 7.878 3.363 ( 2.567 0.348 3.426) 4.295 3.537 ( -0.604 -1.530 2.558) 3.042 3.601 ( -1.943 2.454 -3.514) 4.706 3.812 ( -2.014 2.249 -3.218) 4.413 3.861 ( 4.366 0.204 -2.401) 4.986 3.998 ( 1.305 0.693 8.346) 8.476 4.007 ( 3.930 -2.774 -2.292) 5.329 4.177 ( 8.283 -1.865 -0.097) 8.491 4.336 ( 0.937 2.316 -1.436) 2.882 4.404 ( -5.962 -0.922 -5.638) 8.257 4.476 ( 3.063 0.776 -3.665) 4.839 4.604 ( -3.292 -5.627 -1.467) 6.682 4.675 ( -0.603 -0.893 1.463) 1.818 4.870 ( -1.186 2.294 6.523) 7.016 4.890 ( -4.228 3.830 -1.320) 5.856 5.135 ( -6.296 -4.806 -0.865) 7.967 5.300 ( 4.352 0.181 4.501) 6.264 5.417 ( -1.075 4.926 3.663) 6.232 5.631 ( 0.679 5.086 -2.707) 5.801 5.655 ( 2.185 3.252 -1.105) 4.071 5.920 ( 3.210 4.037 6.283) 8.129 6.262 ( 7.603 5.212 -3.905) 10.011 6.400 ( 2.112 -2.652 -0.023) 3.390 6.456 ( 8.420 0.134 -5.846) 10.252 6.750 ( 4.136 -5.342 4.209) 7.960 6.919 ( -2.564 -10.671 1.036) 11.023 7.041 ( 5.647 -0.979 -2.058) 6.090 7.437 ( -1.403 -1.905 0.563) 2.432 7.774 ( 0.272 0.805 1.253) 1.514 8.033 ( 0.508 0.097 0.164) 0.543 8.703 ( -8.171 -4.155 -1.596) 9.305 8.996 ( -4.593 -4.213 -0.625) 6.264 9.365 ( 7.312 -0.090 -0.608) 7.337 9.636 ( 4.801 -4.818 1.208) 6.908 9.943 ( -2.378 -1.436 7.594) 8.087 9.961 ( -0.466 -0.152 0.399) 0.632 10.134 ( -3.213 4.822 3.602) 6.823 10.320 ( 0.684 0.794 -7.510) 7.583 10.500 ( -1.143 2.079 -6.403) 6.828 10.881 ( 0.969 -0.397 1.826) 2.104 11.180 ( 0.405 0.208 3.150) 3.183 11.249 ( 2.000 -2.430 0.335) 3.165 11.364 ( -6.508 1.599 -4.067) 7.839 11.502 ( 3.987 -4.365 0.760) 5.961 11.867 ( -6.759 0.033 4.202) 7.959 11.879 ( 8.036 4.798 -6.673) 11.495 12.099 ( 1.193 -1.929 0.589) 2.344 12.121 ( -2.080 2.168 -1.112) 3.203 12.391 ( -0.417 -4.286 5.988) 7.376 12.473 ( -3.426 -2.240 -5.437) 6.806 12.614 ( 0.370 5.461 -0.255) 5.480 12.933 ( -2.811 6.798 5.660) 9.282 13.163 ( 5.685 -4.284 -6.019) 9.322 13.367 ( 4.709 -0.854 3.589) 5.982 13.392 ( 10.269 -7.871 -1.230) 12.996 13.691 ( -0.618 -8.848 -0.229) 8.872 13.748 ( -2.301 -5.009 0.878) 5.581 13.969 ( -9.139 0.928 1.168) 9.260 14.156 ( -3.304 -6.395 -7.650) 10.504 14.447 ( 0.911 0.361 6.654) 6.726 14.652 ( 0.306 2.335 6.682) 7.085 14.764 ( -2.581 -0.785 0.408) 2.729 14.935 ( 4.127 1.888 -3.397) 5.669 15.222 ( 1.140 -1.631 -2.045) 2.854 15.255 ( 0.396 7.188 3.656) 8.074 15.367 ( 1.801 1.491 -9.694) 9.972 15.507 ( 3.078 0.382 8.018) 8.597 15.863 ( -1.118 -0.921 -8.023) 8.153 16.055 ( 1.145 3.000 5.326) 6.219 16.132 ( -5.040 -1.189 3.107) 6.039 16.386 ( -2.181 -0.910 -3.939) 4.594 16.723 ( -5.041 -8.414 1.131) 9.874 16.829 ( -13.889 -0.419 -2.260) 14.077 17.575 ( -10.328 -3.109 1.212) 10.854 17.907 ( -3.362 2.332 -0.766) 4.163 18.489 ( -1.366 0.235 1.687) 2.183 18.766 ( 3.446 2.581 -1.208) 4.471 20.674 ( 4.461 -0.084 1.224) 4.627 20.741 ( 6.671 1.229 -1.086) 6.869 21.149 ( 0.324 3.031 0.239) 3.057 21.644 ( 6.005 3.626 -0.023) 7.014 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.527 16.938 3.055) 17.279 1.945 ( -7.777 12.533 3.752) 15.220 2.136 ( -1.800 3.698 3.228) 5.228 2.382 ( -4.579 2.696 -1.720) 5.585 2.538 ( -0.901 2.280 0.636) 2.533 2.732 ( 0.744 5.974 -0.937) 6.092 2.847 ( -3.850 1.794 3.744) 5.662 2.928 ( -4.291 5.509 -6.677) 9.661 3.075 ( -0.818 4.980 -4.116) 6.512 3.346 ( -10.501 3.313 3.068) 11.431 3.472 ( 2.542 3.752 -2.457) 5.155 3.593 ( 2.195 3.750 1.704) 4.667 3.761 ( -0.204 3.009 1.393) 3.322 3.923 ( 2.279 3.553 -7.354) 8.480 3.987 ( -1.839 1.017 2.772) 3.478 4.079 ( 3.869 3.596 2.738) 5.950 4.177 ( -1.312 5.705 2.079) 6.212 4.299 ( -2.518 2.246 -3.279) 4.705 4.392 ( 6.035 -1.209 -3.028) 6.859 4.507 ( -1.661 -0.252 -2.185) 2.757 4.588 ( -3.303 -2.251 1.621) 4.313 4.663 ( -3.022 -6.275 1.025) 7.040 4.789 ( -3.708 4.127 -0.776) 5.602 4.892 ( 3.977 -2.368 2.484) 5.253 5.132 ( -3.742 -3.584 -0.024) 5.181 5.307 ( 2.520 -1.911 1.639) 3.562 5.396 ( 2.960 9.121 1.471) 9.701 5.588 ( 0.675 2.645 -2.468) 3.680 5.712 ( 5.723 1.209 -0.188) 5.853 5.924 ( 0.861 1.851 6.952) 7.245 6.257 ( 1.386 7.893 -3.704) 8.829 6.416 ( -0.658 0.515 -0.121) 0.844 6.597 ( 8.466 1.625 -4.011) 9.508 6.852 ( 2.204 -2.631 3.576) 4.956 7.039 ( 1.726 -15.384 -0.377) 15.485 7.149 ( 4.598 -1.415 -1.631) 5.079 7.458 ( 0.296 -3.411 1.510) 3.742 7.784 ( 1.564 -0.195 -0.794) 1.765 8.049 ( 0.636 -1.113 1.583) 2.037 8.640 ( -6.417 -7.594 -2.330) 10.211 8.998 ( -1.160 -6.003 -0.607) 6.144 9.467 ( 5.711 3.000 1.047) 6.536 9.742 ( 2.150 -5.414 -0.841) 5.885 9.882 ( -7.833 -2.059 4.511) 9.271 9.951 ( -0.379 0.711 1.398) 1.613 10.060 ( -0.694 0.814 6.523) 6.610 10.286 ( -4.006 3.038 -13.512) 14.417 10.511 ( 4.962 -0.925 2.562) 5.660 10.940 ( 3.058 -4.240 3.693) 6.401 11.157 ( -6.129 0.799 -3.286) 7.000 11.225 ( -2.028 -0.045 -0.908) 2.223 11.354 ( 3.835 -3.375 -0.763) 5.166 11.608 ( 3.725 -3.441 -0.899) 5.150 11.760 ( -4.376 2.426 3.967) 6.386 11.961 ( 8.032 5.626 -5.778) 11.382 12.040 ( -0.580 6.219 -5.603) 8.391 12.118 ( -2.160 -1.093 2.917) 3.791 12.409 ( -5.196 -2.789 2.281) 6.323 12.479 ( 2.952 -3.182 1.702) 4.662 12.647 ( 5.557 -1.004 -0.735) 5.694 12.855 ( -0.639 1.776 3.089) 3.620 13.321 ( 6.494 -5.398 -3.008) 8.964 13.478 ( 7.016 -1.329 4.796) 8.602 13.656 ( 8.227 -10.989 -4.329) 14.393 13.739 ( -7.000 -4.004 -0.323) 8.071 13.802 ( 2.217 -6.889 0.092) 7.237 13.860 ( -0.646 -6.604 4.369) 7.945 14.166 ( -3.087 -6.649 -5.219) 8.998 14.451 ( -0.429 0.202 2.970) 3.008 14.618 ( -1.972 2.437 8.690) 9.238 14.718 ( -3.611 -1.059 -1.620) 4.097 14.980 ( 5.156 5.032 -5.119) 8.838 15.123 ( -4.736 8.038 -0.961) 9.379 15.278 ( 2.945 0.130 2.618) 3.943 15.367 ( 1.407 3.245 -6.222) 7.157 15.540 ( 0.206 -0.083 6.508) 6.512 15.875 ( 1.109 -0.851 -4.344) 4.563 16.019 ( -0.674 4.330 0.452) 4.405 16.084 ( -3.202 -3.942 1.594) 5.322 16.393 ( 1.970 -1.993 1.096) 3.009 16.558 ( -13.071 1.871 -1.343) 13.272 16.785 ( -5.409 -14.283 -0.556) 15.283 17.413 ( -14.139 -4.820 -2.028) 15.076 17.814 ( -4.907 2.875 0.809) 5.745 18.444 ( -1.742 3.258 1.366) 3.938 18.786 ( 2.815 4.188 -0.935) 5.132 20.734 ( 3.642 2.166 1.638) 4.543 20.843 ( 7.438 1.568 -2.221) 7.919 21.113 ( -0.769 2.835 0.883) 3.067 21.699 ( 5.643 5.042 0.314) 7.574 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -8.393 20.881 0.410) 22.509 1.669 ( 5.329 28.715 10.255) 30.954 2.119 ( 0.671 1.795 -1.677) 2.547 2.279 ( -6.729 4.628 0.162) 8.168 2.517 ( -0.710 -0.851 -0.257) 1.138 2.648 ( -4.241 9.408 -4.213) 11.146 2.694 ( -8.856 9.928 -0.445) 13.312 2.789 ( -3.388 8.416 -0.286) 9.077 2.975 ( -1.525 4.372 -5.132) 6.912 3.173 ( 1.203 5.546 3.556) 6.697 3.473 ( 0.238 6.396 0.216) 6.404 3.592 ( 3.586 5.046 1.589) 6.391 3.712 ( -0.127 7.793 0.540) 7.813 3.887 ( 1.862 2.373 -4.356) 5.298 3.948 ( -0.936 1.290 -3.002) 3.399 4.034 ( -2.103 6.512 4.249) 8.055 4.203 ( 7.374 3.741 6.248) 10.363 4.283 ( -0.675 -2.086 -2.483) 3.312 4.406 ( -5.293 -0.301 2.834) 6.011 4.522 ( 0.060 0.489 -2.325) 2.376 4.566 ( -0.949 -2.340 -5.559) 6.106 4.640 ( -3.710 -4.620 -4.088) 7.199 4.717 ( -1.554 0.877 3.609) 4.026 4.953 ( 0.541 0.336 3.683) 3.737 5.131 ( -0.539 -6.975 -2.478) 7.422 5.337 ( 2.863 11.051 1.781) 11.554 5.435 ( 4.918 -7.540 2.015) 9.224 5.603 ( 3.841 3.328 -1.471) 5.291 5.759 ( 1.767 3.906 -2.858) 5.152 5.907 ( -2.065 0.595 5.709) 6.100 6.183 ( 1.126 9.265 -2.106) 9.568 6.390 ( -1.105 0.913 -0.057) 1.434 6.696 ( 5.748 2.441 -1.942) 6.540 6.868 ( -1.139 0.184 3.053) 3.263 7.200 ( 0.959 -1.929 -1.079) 2.410 7.279 ( 5.993 -16.495 -1.040) 17.581 7.492 ( -2.172 -5.660 2.440) 6.535 7.831 ( 2.277 -2.709 -3.528) 4.997 8.072 ( 0.040 -1.981 2.478) 3.173 8.639 ( -3.958 -9.748 -1.974) 10.705 9.068 ( 2.023 -5.661 -0.688) 6.051 9.493 ( 3.482 4.821 1.077) 6.044 9.740 ( -9.762 -2.588 2.300) 10.358 9.844 ( 3.199 -3.129 2.862) 5.312 9.939 ( -0.367 0.569 -0.189) 0.703 10.089 ( -0.031 -3.791 7.162) 8.103 10.149 ( -6.056 1.725 -14.085) 15.428 10.651 ( 8.921 -1.427 8.455) 12.374 10.978 ( -7.538 0.254 -6.354) 9.862 11.078 ( 1.356 -6.335 -0.037) 6.479 11.243 ( 2.154 -0.113 0.482) 2.210 11.434 ( 1.005 -2.707 -0.799) 2.997 11.664 ( 0.520 2.725 -1.514) 3.160 11.718 ( 0.319 -4.720 2.244) 5.236 11.947 ( -1.350 9.536 -2.661) 9.992 12.022 ( 5.984 5.784 -2.870) 8.803 12.095 ( -0.524 -0.203 -0.803) 0.980 12.314 ( -4.962 3.800 3.643) 7.234 12.585 ( 4.230 -4.796 3.256) 7.176 12.778 ( 6.095 -4.106 -0.973) 7.414 12.876 ( -0.409 -6.647 -1.473) 6.820 13.457 ( 3.715 -4.437 0.868) 5.851 13.594 ( -0.636 -1.252 1.579) 2.113 13.630 ( -0.760 -0.390 1.866) 2.052 13.791 ( -1.808 -9.571 -2.246) 9.996 13.967 ( 6.169 -9.621 -4.634) 12.333 14.040 ( 6.809 -9.461 5.547) 12.909 14.184 ( -2.289 -6.330 -1.769) 6.960 14.435 ( -1.381 -0.717 -1.419) 2.105 14.544 ( -4.902 1.148 8.830) 10.164 14.671 ( -3.245 -1.646 -2.364) 4.339 14.979 ( -2.665 4.666 -3.001) 6.154 14.997 ( 3.228 7.163 -2.845) 8.356 15.324 ( 2.799 0.425 3.134) 4.224 15.348 ( 1.057 3.284 -3.064) 4.614 15.534 ( -0.375 0.947 3.174) 3.334 15.855 ( -3.536 -0.675 -0.523) 3.638 15.967 ( -0.053 4.823 -0.759) 4.882 16.140 ( 3.311 -4.524 -1.124) 5.717 16.352 ( -9.914 -1.338 -1.424) 10.105 16.498 ( 8.297 -2.069 5.106) 9.960 16.857 ( -3.523 -15.006 -0.034) 15.414 17.196 ( -17.490 -4.573 -6.168) 19.102 17.694 ( -4.725 4.472 1.879) 6.771 18.375 ( -1.146 5.612 0.765) 5.779 18.771 ( 1.451 6.151 -0.457) 6.336 20.732 ( 1.914 8.680 1.576) 9.027 20.951 ( 6.849 0.878 -5.597) 8.888 21.091 ( -0.951 -2.494 3.939) 4.758 21.725 ( 3.921 5.957 0.801) 7.176 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 27.359 0.000) 27.359 1.468 ( 0.000 32.658 0.000) 32.658 1.923 ( 0.000 31.177 0.000) 31.177 2.145 ( 0.000 1.245 0.000) 1.245 2.432 ( 0.000 9.900 0.000) 9.900 2.516 ( 0.000 2.270 0.000) 2.270 2.618 ( -0.000 -3.052 -0.000) 3.052 2.706 ( 0.000 7.475 0.000) 7.475 2.951 ( 0.000 2.115 0.000) 2.115 3.171 ( 0.000 1.866 0.000) 1.866 3.346 ( 0.000 16.747 0.000) 16.747 3.591 ( 0.000 2.306 0.000) 2.306 3.647 ( 0.000 4.624 0.000) 4.624 3.912 ( 0.000 1.557 0.000) 1.557 3.932 ( 0.000 0.932 0.000) 0.932 3.952 ( 0.000 3.147 0.000) 3.147 4.270 ( 0.000 3.778 0.000) 3.778 4.282 ( 0.000 2.521 0.000) 2.521 4.299 ( -0.000 -0.581 -0.000) 0.581 4.498 ( -0.000 -4.248 -0.000) 4.248 4.624 ( -0.000 -3.636 -0.000) 3.636 4.648 ( -0.000 -2.452 -0.000) 2.452 4.699 ( -0.000 -0.426 -0.000) 0.426 4.944 ( 0.000 1.780 0.000) 1.780 5.197 ( -0.000 -5.574 -0.000) 5.574 5.265 ( 0.000 10.197 0.000) 10.197 5.576 ( -0.000 -9.639 -0.000) 9.639 5.599 ( 0.000 6.146 0.000) 6.146 5.696 ( 0.000 6.607 0.000) 6.607 5.878 ( 0.000 0.060 0.000) 0.060 6.115 ( 0.000 7.181 0.000) 7.181 6.376 ( 0.000 0.164 0.000) 0.164 6.708 ( 0.000 5.070 0.000) 5.070 6.859 ( -0.000 -1.368 -0.000) 1.368 7.213 ( -0.000 -0.793 -0.000) 0.793 7.433 ( 0.000 2.571 0.000) 2.571 7.598 ( -0.000 -24.015 -0.000) 24.015 7.895 ( -0.000 -4.951 -0.000) 4.951 8.094 ( -0.000 -2.912 -0.000) 2.912 8.705 ( -0.000 -10.651 -0.000) 10.651 9.127 ( -0.000 -0.548 -0.000) 0.548 9.549 ( -0.000 -2.783 -0.000) 2.783 9.607 ( 0.000 3.066 0.000) 3.066 9.902 ( 0.000 1.943 0.000) 1.943 9.923 ( -0.000 -1.765 -0.000) 1.765 10.030 ( 0.000 2.699 0.000) 2.699 10.200 ( -0.000 -11.047 -0.000) 11.047 10.811 ( -0.000 -2.425 -0.000) 2.425 10.822 ( 0.000 4.412 0.000) 4.412 11.171 ( -0.000 -7.593 -0.000) 7.593 11.269 ( 0.000 0.145 0.000) 0.145 11.449 ( -0.000 -1.729 -0.000) 1.729 11.637 ( 0.000 3.156 0.000) 3.156 11.789 ( -0.000 -6.959 -0.000) 6.959 11.830 ( 0.000 9.793 0.000) 9.793 12.050 ( 0.000 2.456 0.000) 2.456 12.052 ( 0.000 7.394 0.000) 7.394 12.225 ( 0.000 2.695 0.000) 2.695 12.687 ( -0.000 -4.707 -0.000) 4.707 12.890 ( -0.000 -6.733 -0.000) 6.733 12.952 ( -0.000 -9.232 -0.000) 9.232 13.496 ( 0.000 0.258 0.000) 0.258 13.574 ( -0.000 -4.943 -0.000) 4.943 13.669 ( 0.000 2.137 0.000) 2.137 13.862 ( -0.000 -8.945 -0.000) 8.945 14.089 ( -0.000 -4.345 -0.000) 4.345 14.180 ( -0.000 -1.637 -0.000) 1.637 14.228 ( -0.000 -9.612 -0.000) 9.612 14.439 ( -0.000 -2.637 -0.000) 2.637 14.495 ( -0.000 -2.229 -0.000) 2.229 14.651 ( 0.000 0.171 0.000) 0.171 14.933 ( 0.000 0.047 0.000) 0.047 14.960 ( 0.000 5.270 0.000) 5.270 15.353 ( -0.000 -0.443 -0.000) 0.443 15.354 ( -0.000 -1.977 -0.000) 1.977 15.510 ( 0.000 2.991 0.000) 2.991 15.830 ( -0.000 -1.365 -0.000) 1.365 15.923 ( 0.000 3.560 0.000) 3.560 16.153 ( 0.000 4.324 0.000) 4.324 16.348 ( -0.000 -10.411 -0.000) 10.411 16.670 ( -0.000 -5.064 -0.000) 5.064 16.972 ( -0.000 -13.626 -0.000) 13.626 16.983 ( 0.000 1.158 0.000) 1.158 17.601 ( 0.000 4.620 0.000) 4.620 18.302 ( 0.000 6.965 0.000) 6.965 18.711 ( 0.000 7.977 0.000) 7.977 20.628 ( 0.000 14.431 0.000) 14.431 21.019 ( -0.000 -1.739 -0.000) 1.739 21.138 ( -0.000 -6.366 -0.000) 6.366 21.702 ( 0.000 5.991 0.000) 5.991 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 3.268 0.000 1.743) 3.703 2.057 ( -0.234 -0.000 -3.553) 3.561 2.402 ( -3.697 -0.000 0.136) 3.700 2.463 ( 2.490 0.000 1.964) 3.172 2.701 ( 6.270 0.000 2.621) 6.796 2.851 ( -0.603 -0.000 -0.053) 0.605 2.887 ( 12.948 0.000 7.003) 14.721 3.232 ( -12.654 -0.000 0.867) 12.684 3.269 ( 2.589 0.000 0.995) 2.774 3.400 ( 1.177 0.000 -7.632) 7.723 3.432 ( -8.066 -0.000 -1.770) 8.258 3.695 ( 3.024 0.000 0.009) 3.024 3.777 ( 5.404 0.000 -10.916) 12.180 3.840 ( 5.317 0.000 2.782) 6.001 3.911 ( 2.469 0.000 2.087) 3.233 3.963 ( -1.467 -0.000 -0.257) 1.490 4.121 ( 5.597 0.000 -2.468) 6.117 4.216 ( -0.470 -0.000 8.016) 8.030 4.385 ( 2.489 0.000 1.684) 3.005 4.431 ( -1.164 -0.000 -6.906) 7.003 4.616 ( -4.096 -0.000 4.032) 5.748 4.710 ( -2.620 -0.000 -6.296) 6.820 4.807 ( 3.259 0.000 -11.614) 12.062 4.998 ( -1.321 -0.000 8.298) 8.403 5.126 ( 2.231 0.000 13.261) 13.447 5.290 ( -10.794 -0.000 -2.734) 11.134 5.624 ( -3.743 -0.000 0.479) 3.773 5.642 ( 7.420 0.000 0.676) 7.451 5.730 ( 6.042 0.000 0.200) 6.045 5.882 ( 8.915 0.000 4.072) 9.801 6.089 ( 17.638 0.000 -9.265) 19.923 6.238 ( 3.974 0.000 -0.608) 4.020 6.354 ( 2.800 0.000 -0.278) 2.814 6.614 ( 1.136 0.000 5.444) 5.561 6.846 ( -8.807 -0.000 0.548) 8.824 6.999 ( -2.005 -0.000 1.544) 2.531 7.475 ( -5.609 -0.000 -0.136) 5.610 7.783 ( 0.530 0.000 -2.174) 2.238 8.048 ( -0.292 -0.000 -0.344) 0.451 8.816 ( -10.251 -0.000 0.351) 10.257 9.039 ( -7.363 -0.000 -1.786) 7.576 9.240 ( 5.408 0.000 -1.348) 5.573 9.462 ( 5.065 0.000 3.724) 6.286 9.930 ( 0.411 0.000 7.095) 7.107 9.979 ( -1.343 -0.000 -1.941) 2.360 10.220 ( 3.305 0.000 0.470) 3.339 10.359 ( -2.799 -0.000 -6.745) 7.303 10.548 ( 1.328 0.000 -1.496) 2.000 10.919 ( -1.660 -0.000 -2.499) 3.000 11.195 ( 0.908 0.000 -0.507) 1.040 11.212 ( -1.588 -0.000 4.830) 5.084 11.339 ( 4.679 0.000 0.552) 4.711 11.478 ( -5.341 -0.000 -4.425) 6.935 11.830 ( 3.694 0.000 -0.908) 3.804 11.922 ( -2.599 -0.000 0.554) 2.658 12.049 ( 2.792 0.000 3.514) 4.488 12.055 ( 4.587 0.000 10.798) 11.732 12.486 ( -8.255 -0.000 -9.880) 12.874 12.569 ( -8.870 -0.000 -7.025) 11.315 12.824 ( 7.135 0.000 -0.005) 7.135 12.886 ( -11.455 -0.000 0.634) 11.473 13.107 ( 9.084 0.000 -1.017) 9.140 13.310 ( 2.365 0.000 3.073) 3.878 13.353 ( -6.865 -0.000 1.235) 6.975 13.549 ( -8.874 -0.000 0.781) 8.908 13.701 ( -3.142 -0.000 1.629) 3.539 14.082 ( -3.802 -0.000 -6.165) 7.243 14.149 ( -5.246 -0.000 -2.974) 6.030 14.457 ( 0.402 0.000 8.587) 8.597 14.622 ( 4.075 0.000 2.175) 4.619 14.764 ( 1.219 0.000 3.218) 3.441 14.896 ( 2.881 0.000 -0.856) 3.005 15.170 ( -4.149 -0.000 -2.020) 4.614 15.260 ( 7.474 0.000 7.692) 10.725 15.370 ( 6.156 0.000 -11.359) 12.920 15.514 ( -1.927 -0.000 2.799) 3.399 15.856 ( -0.340 -0.000 -6.882) 6.890 16.085 ( 1.631 0.000 5.791) 6.016 16.206 ( -4.200 -0.000 2.988) 5.154 16.425 ( 0.949 0.000 -4.045) 4.155 16.610 ( -5.836 -0.000 0.384) 5.849 17.110 ( -14.165 -0.000 -1.637) 14.260 17.690 ( -8.279 -0.000 2.522) 8.655 18.011 ( -3.582 -0.000 -2.058) 4.131 18.451 ( 3.150 0.000 1.723) 3.591 18.746 ( 3.082 0.000 -0.323) 3.099 20.579 ( 5.431 0.000 0.874) 5.501 20.645 ( 6.581 0.000 -0.748) 6.624 21.173 ( 2.039 0.000 -0.108) 2.042 21.605 ( 5.111 0.000 -0.038) 5.111 ======================= Grid point 35 (24/117) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.766 3.008 0.764) 4.157 2.049 ( 0.185 0.563 -3.770) 3.816 2.298 ( -8.036 -0.288 -0.485) 8.056 2.523 ( 3.835 0.930 2.816) 4.848 2.781 ( 3.827 1.232 2.131) 4.550 2.834 ( 1.330 4.663 0.704) 4.899 2.916 ( -7.711 8.086 7.576) 13.500 3.095 ( -3.009 -3.273 0.856) 4.528 3.261 ( -4.292 3.765 -5.155) 7.692 3.345 ( -0.400 -3.437 3.494) 4.917 3.458 ( 4.727 -2.515 -1.679) 5.611 3.643 ( -5.269 1.354 -3.423) 6.428 3.825 ( -4.918 -0.405 2.271) 5.432 3.865 ( 5.767 0.150 -10.239) 11.752 3.957 ( 6.839 0.024 0.004) 6.839 4.098 ( 5.953 0.413 7.911) 9.910 4.140 ( 4.039 4.749 -0.624) 6.265 4.304 ( 3.487 -7.401 -2.172) 8.465 4.375 ( 0.002 2.144 -4.443) 4.933 4.483 ( 0.513 -4.908 0.198) 4.939 4.556 ( -0.925 3.646 0.251) 3.770 4.657 ( -1.108 0.637 -4.290) 4.477 4.856 ( 0.236 -5.461 -7.117) 8.974 4.968 ( -1.401 4.087 6.717) 7.986 5.103 ( -9.093 1.733 0.238) 9.260 5.238 ( 6.031 -4.284 10.645) 12.963 5.515 ( -6.071 3.728 0.447) 7.138 5.672 ( -1.795 0.633 0.171) 1.911 5.773 ( 3.815 4.384 -5.562) 8.044 6.001 ( 5.065 3.149 8.300) 10.221 6.325 ( 3.350 -3.236 -2.251) 5.173 6.349 ( 11.555 3.216 -5.412) 13.158 6.438 ( 7.037 -1.850 -2.253) 7.617 6.669 ( 3.341 -1.105 3.964) 5.301 6.750 ( -4.117 -6.069 2.041) 7.612 7.040 ( 6.902 0.206 -0.234) 6.909 7.410 ( -2.528 -0.752 -0.050) 2.638 7.790 ( 0.658 0.520 -0.189) 0.860 8.039 ( -0.450 0.293 -0.349) 0.641 8.651 ( -9.925 -1.263 -0.590) 10.023 8.935 ( -5.849 -1.649 -1.463) 6.251 9.348 ( 6.941 -1.036 0.866) 7.072 9.573 ( 6.492 -1.452 1.526) 6.825 9.909 ( -4.120 -0.998 7.569) 8.676 9.964 ( -0.501 -0.047 -1.738) 1.809 10.232 ( -1.493 4.603 2.276) 5.348 10.309 ( -1.331 -2.091 -3.768) 4.510 10.534 ( -2.267 1.046 -8.880) 9.225 10.890 ( -1.063 0.677 -0.115) 1.265 11.193 ( -0.251 0.860 4.344) 4.436 11.222 ( 2.044 -0.542 1.514) 2.601 11.368 ( -7.890 -0.522 -5.040) 9.377 11.431 ( 4.875 -2.368 0.434) 5.437 11.854 ( -4.813 -0.697 2.635) 5.531 11.927 ( 7.228 -0.127 -3.243) 7.923 12.096 ( 4.556 2.903 6.068) 8.124 12.150 ( 2.776 -1.108 1.096) 3.183 12.369 ( -3.506 1.526 -1.985) 4.308 12.432 ( -7.234 -1.934 -6.240) 9.747 12.729 ( -2.242 5.417 1.340) 6.014 12.971 ( 5.648 -4.432 0.731) 7.216 13.177 ( -4.023 7.515 -0.828) 8.564 13.292 ( 8.636 -2.369 -1.756) 9.125 13.331 ( -0.850 -3.973 2.993) 5.047 13.531 ( 1.135 -5.414 -0.347) 5.543 13.667 ( -2.678 -2.614 1.447) 4.012 13.984 ( -9.366 0.301 0.951) 9.419 14.069 ( -3.235 -2.111 -7.032) 8.023 14.469 ( 1.278 1.214 5.497) 5.773 14.663 ( 0.059 -0.706 4.418) 4.474 14.764 ( -1.486 0.606 3.345) 3.710 14.974 ( 7.042 1.758 -2.184) 7.580 15.148 ( 0.665 -3.390 -3.274) 4.759 15.360 ( 4.211 1.333 2.929) 5.300 15.438 ( 1.350 5.639 -3.978) 7.031 15.515 ( 4.837 -0.664 0.906) 4.966 15.794 ( -7.525 -3.710 -5.356) 9.953 16.108 ( 1.821 1.641 6.293) 6.754 16.148 ( -2.510 1.426 3.691) 4.686 16.395 ( -2.954 2.460 -6.006) 7.131 16.539 ( -6.488 -7.867 -1.062) 10.253 16.853 ( -15.771 0.923 -0.415) 15.804 17.538 ( -10.643 -0.800 0.810) 10.704 17.942 ( -3.919 0.945 -0.491) 4.061 18.489 ( 1.125 -0.086 2.041) 2.332 18.802 ( 3.948 0.936 -1.224) 4.238 20.663 ( 4.293 -0.527 0.762) 4.392 20.748 ( 5.937 -0.051 -0.542) 5.962 21.200 ( 1.853 1.550 0.137) 2.420 21.698 ( 6.696 1.533 -0.136) 6.870 ======================= Grid point 36 (25/117) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.705 6.834 1.816) 7.107 2.052 ( 0.192 1.800 -5.456) 5.748 2.183 ( -4.667 -1.168 1.740) 5.116 2.543 ( 1.570 4.457 2.644) 5.414 2.620 ( -8.274 11.996 7.062) 16.194 2.827 ( 2.587 3.438 1.473) 4.548 2.866 ( 0.810 0.430 2.626) 2.781 3.014 ( -4.567 4.252 -5.358) 8.225 3.180 ( -0.975 4.027 -5.321) 6.743 3.341 ( -6.636 -2.118 3.200) 7.666 3.535 ( 1.164 1.724 -3.205) 3.821 3.597 ( 2.902 -2.564 -0.187) 3.877 3.780 ( -0.954 -0.292 4.023) 4.144 3.938 ( 2.745 0.106 -4.902) 5.619 4.055 ( 2.593 0.813 -4.274) 5.064 4.103 ( 5.339 4.305 6.066) 9.156 4.205 ( -0.599 -1.720 -0.209) 1.833 4.345 ( -0.057 -0.247 -4.590) 4.597 4.404 ( 1.667 -2.242 2.124) 3.510 4.496 ( 0.259 1.807 1.169) 2.168 4.550 ( 2.021 -0.554 -5.725) 6.097 4.676 ( 1.332 1.995 1.475) 2.816 4.828 ( -6.308 2.524 -3.915) 7.841 4.882 ( -1.922 1.702 0.500) 2.616 5.045 ( 0.906 -2.219 4.707) 5.282 5.328 ( -1.898 1.122 3.486) 4.124 5.432 ( 1.152 -3.525 2.291) 4.359 5.633 ( -0.920 1.542 -1.511) 2.346 5.789 ( 4.927 5.376 -3.926) 8.282 6.004 ( 0.902 5.323 8.024) 9.671 6.368 ( -0.642 -1.610 -4.088) 4.440 6.400 ( 2.324 3.551 1.040) 4.370 6.597 ( 7.102 -2.508 -4.703) 8.880 6.739 ( 1.968 -6.342 -0.041) 6.640 6.825 ( 2.615 -5.619 3.707) 7.222 7.167 ( 7.790 2.420 -0.915) 8.208 7.408 ( 0.462 -2.146 0.444) 2.240 7.797 ( 1.259 1.088 0.543) 1.751 8.033 ( -0.254 -0.496 0.059) 0.560 8.527 ( -7.753 -3.852 -1.102) 8.727 8.888 ( -3.057 -4.360 -1.437) 5.515 9.481 ( 7.126 -1.336 1.617) 7.428 9.676 ( 3.643 -0.984 0.047) 3.774 9.821 ( -8.436 -2.890 5.693) 10.580 9.958 ( -0.236 0.031 -1.075) 1.101 10.127 ( -3.433 5.008 3.318) 6.919 10.327 ( -0.518 -0.122 -4.498) 4.530 10.475 ( -2.228 -1.589 -6.126) 6.709 10.885 ( 0.379 -1.395 1.452) 2.049 11.169 ( -4.445 0.683 -1.590) 4.770 11.236 ( -1.778 0.868 1.645) 2.573 11.295 ( 2.073 -2.500 0.128) 3.250 11.539 ( 4.277 -3.186 -0.688) 5.378 11.790 ( -3.405 0.192 2.733) 4.371 12.041 ( 6.590 1.393 -2.685) 7.251 12.097 ( -1.428 2.002 -1.362) 2.811 12.180 ( 4.156 4.324 -3.910) 7.160 12.320 ( -4.026 -2.825 4.017) 6.350 12.417 ( 2.142 -2.511 -1.224) 3.520 12.690 ( 2.673 4.019 1.180) 4.969 12.979 ( -1.756 8.834 6.055) 10.853 13.178 ( 4.306 -8.187 -5.225) 10.624 13.394 ( 1.349 -8.253 2.023) 8.604 13.494 ( 9.751 -4.356 -2.451) 10.958 13.620 ( 1.222 -4.706 0.734) 4.917 13.677 ( 0.763 -5.455 2.183) 5.925 13.813 ( -9.283 -0.179 0.514) 9.299 14.066 ( -0.483 -3.347 -4.388) 5.540 14.472 ( 0.319 1.514 2.781) 3.183 14.649 ( -2.214 0.120 4.828) 5.312 14.706 ( -4.484 0.380 0.723) 4.558 15.071 ( 8.261 4.390 -3.394) 9.951 15.240 ( 4.293 -2.295 -1.511) 5.097 15.290 ( -5.464 6.539 1.190) 8.604 15.426 ( 2.211 2.119 -4.066) 5.090 15.559 ( -0.129 2.077 4.951) 5.371 15.787 ( 1.576 -6.872 -3.791) 8.005 16.063 ( -6.042 1.680 3.172) 7.028 16.111 ( 1.145 4.090 3.000) 5.199 16.340 ( -1.258 -2.306 -4.395) 5.120 16.534 ( -6.650 -10.643 -1.351) 12.622 16.594 ( -12.473 1.326 0.895) 12.575 17.354 ( -12.845 -1.497 -1.567) 13.027 17.863 ( -4.073 1.765 0.895) 4.528 18.492 ( 0.121 1.582 1.623) 2.270 18.849 ( 3.407 2.136 -1.082) 4.164 20.731 ( 3.048 -1.045 0.565) 3.272 20.844 ( 5.158 -0.837 -0.294) 5.234 21.197 ( 1.013 4.103 0.127) 4.228 21.784 ( 6.201 3.191 -0.043) 6.974 ======================= Grid point 37 (26/117) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -4.558 11.672 -1.420) 12.610 2.018 ( 0.862 5.099 3.744) 6.385 2.189 ( 3.715 1.771 -1.383) 4.342 2.425 ( -1.090 11.503 4.682) 12.467 2.497 ( -2.214 3.693 3.160) 5.341 2.794 ( -0.861 7.739 -1.029) 7.855 2.825 ( -2.065 3.688 0.856) 4.312 2.945 ( -0.125 4.222 -2.863) 5.103 3.070 ( -6.660 5.998 -7.529) 11.705 3.237 ( -2.831 0.304 1.225) 3.099 3.540 ( 0.950 1.947 0.272) 2.184 3.657 ( 1.773 0.426 0.230) 1.838 3.808 ( 3.608 -0.179 3.156) 4.797 3.948 ( -0.698 0.807 -1.560) 1.890 3.997 ( -2.316 7.090 -2.067) 7.739 4.172 ( 1.308 3.007 -0.591) 3.332 4.196 ( 1.810 -2.442 1.422) 3.355 4.375 ( 5.097 3.434 -2.713) 6.718 4.447 ( 0.367 -0.267 -0.355) 0.577 4.473 ( -1.595 3.194 -0.243) 3.578 4.539 ( -4.798 6.055 5.721) 9.613 4.601 ( 3.150 -0.483 -0.168) 3.192 4.753 ( -3.740 0.932 -1.871) 4.284 4.906 ( 1.852 -5.031 -0.451) 5.380 5.028 ( -5.279 -1.059 -1.815) 5.682 5.320 ( 2.037 -3.505 1.683) 4.390 5.497 ( 1.862 2.233 0.987) 3.070 5.626 ( 1.842 -0.685 -1.135) 2.269 5.834 ( 5.375 3.958 -3.041) 7.335 5.952 ( -1.540 4.341 7.372) 8.692 6.350 ( 1.115 6.028 -3.616) 7.117 6.392 ( -1.477 -1.047 1.138) 2.138 6.709 ( 4.422 -1.881 -2.211) 5.289 6.840 ( 0.994 -4.748 0.921) 4.938 6.924 ( 1.490 -11.044 0.897) 11.180 7.217 ( 2.391 3.270 -0.668) 4.106 7.450 ( 1.361 -1.549 0.751) 2.194 7.811 ( 1.291 0.575 -0.579) 1.528 8.040 ( -0.136 -1.359 0.746) 1.556 8.478 ( -4.190 -6.457 -0.962) 7.757 8.924 ( 0.210 -7.479 -1.254) 7.586 9.577 ( 3.782 2.454 1.991) 4.928 9.673 ( -6.300 -3.028 0.417) 7.002 9.767 ( 0.211 -3.390 2.000) 3.942 9.952 ( -0.345 0.394 0.037) 0.525 10.054 ( -1.270 1.406 4.159) 4.570 10.239 ( -4.710 5.235 -9.343) 11.700 10.550 ( 3.694 -8.136 2.629) 9.314 10.930 ( 0.841 -4.342 1.719) 4.745 11.043 ( -5.991 2.344 -5.027) 8.164 11.248 ( 2.082 0.102 2.395) 3.175 11.373 ( 2.348 -3.336 0.601) 4.123 11.621 ( 1.982 -2.964 -1.622) 3.917 11.734 ( -2.097 1.915 1.994) 3.470 12.051 ( -1.211 0.112 -0.313) 1.255 12.116 ( 4.326 4.920 -4.632) 8.023 12.179 ( 2.979 6.668 -2.985) 7.890 12.296 ( -3.608 -4.410 4.587) 7.314 12.494 ( 3.158 -2.353 0.349) 3.954 12.735 ( 5.239 0.323 -1.387) 5.429 12.875 ( -2.103 5.024 4.244) 6.905 13.334 ( 4.206 -7.715 -1.004) 8.844 13.504 ( -1.949 -9.214 -0.395) 9.426 13.593 ( -4.469 -4.756 -0.420) 6.540 13.658 ( 4.500 -1.175 0.581) 4.687 13.790 ( 2.641 -8.052 -1.807) 8.665 13.814 ( 3.765 -9.267 4.317) 10.894 14.115 ( 3.405 -1.681 -2.828) 4.734 14.449 ( -1.080 1.589 -0.084) 1.923 14.575 ( -6.051 1.729 5.536) 8.382 14.641 ( -3.146 -1.415 -1.264) 3.674 15.085 ( -6.050 5.716 -2.428) 8.670 15.150 ( 6.337 7.059 -3.197) 10.011 15.347 ( 4.581 1.124 1.846) 5.065 15.420 ( 0.398 3.442 -1.272) 3.691 15.543 ( 0.010 0.226 3.908) 3.915 15.843 ( -3.387 -0.575 -0.587) 3.485 16.004 ( 0.478 -6.083 0.611) 6.132 16.074 ( -0.180 4.244 -1.857) 4.635 16.366 ( -8.825 0.586 0.020) 8.845 16.410 ( 2.415 -5.369 0.135) 5.889 16.591 ( -1.972 -10.955 1.238) 11.199 17.150 ( -12.485 -0.756 -3.379) 12.957 17.775 ( -3.229 3.330 1.233) 4.800 18.466 ( -0.206 3.478 0.884) 3.595 18.866 ( 1.942 3.502 -0.550) 4.042 20.783 ( 1.765 -1.094 0.417) 2.118 20.937 ( 4.059 -2.564 -0.304) 4.810 21.149 ( -0.316 6.595 0.085) 6.604 21.831 ( 3.888 4.474 0.134) 5.929 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 18.512 0.000) 18.512 1.962 ( 0.000 11.951 0.000) 11.951 2.217 ( 0.000 3.982 0.000) 3.982 2.274 ( 0.000 16.895 0.000) 16.895 2.462 ( -0.000 -4.196 -0.000) 4.196 2.697 ( 0.000 7.661 0.000) 7.661 2.719 ( 0.000 11.611 0.000) 11.611 2.849 ( 0.000 8.189 0.000) 8.189 2.993 ( 0.000 1.769 0.000) 1.769 3.216 ( 0.000 1.878 0.000) 1.878 3.521 ( 0.000 3.149 0.000) 3.149 3.655 ( 0.000 2.402 0.000) 2.402 3.834 ( 0.000 12.178 0.000) 12.178 3.888 ( -0.000 -2.642 -0.000) 2.642 3.945 ( 0.000 1.020 0.000) 1.020 4.122 ( 0.000 10.268 0.000) 10.268 4.244 ( -0.000 -2.288 -0.000) 2.288 4.320 ( 0.000 5.251 0.000) 5.251 4.411 ( 0.000 6.495 0.000) 6.495 4.488 ( -0.000 -1.338 -0.000) 1.338 4.512 ( -0.000 -6.505 -0.000) 6.505 4.623 ( 0.000 4.010 0.000) 4.010 4.699 ( -0.000 -0.773 -0.000) 0.773 4.935 ( -0.000 -2.070 -0.000) 2.070 5.048 ( -0.000 -8.621 -0.000) 8.621 5.401 ( -0.000 -6.979 -0.000) 6.979 5.451 ( 0.000 8.088 0.000) 8.088 5.670 ( -0.000 -0.619 -0.000) 0.619 5.840 ( 0.000 7.264 0.000) 7.264 5.890 ( 0.000 1.573 0.000) 1.573 6.285 ( 0.000 8.759 0.000) 8.759 6.381 ( 0.000 0.058 0.000) 0.058 6.768 ( -0.000 -0.045 -0.000) 0.045 6.850 ( 0.000 0.179 0.000) 0.179 7.116 ( -0.000 -21.884 -0.000) 21.884 7.209 ( 0.000 1.315 0.000) 1.315 7.465 ( 0.000 0.458 0.000) 0.458 7.826 ( -0.000 -1.459 -0.000) 1.459 8.053 ( -0.000 -1.628 -0.000) 1.628 8.516 ( -0.000 -8.215 -0.000) 8.215 9.016 ( -0.000 -8.726 -0.000) 8.726 9.578 ( 0.000 3.994 0.000) 3.994 9.616 ( -0.000 -1.338 -0.000) 1.338 9.836 ( -0.000 -6.195 -0.000) 6.195 9.939 ( 0.000 1.214 0.000) 1.214 10.057 ( -0.000 -2.961 -0.000) 2.961 10.125 ( 0.000 6.573 0.000) 6.573 10.690 ( -0.000 -9.342 -0.000) 9.342 10.914 ( 0.000 4.285 0.000) 4.285 11.026 ( -0.000 -6.216 -0.000) 6.216 11.274 ( -0.000 -0.011 -0.000) 0.011 11.416 ( -0.000 -2.001 -0.000) 2.001 11.671 ( -0.000 -4.364 -0.000) 4.364 11.695 ( 0.000 2.473 0.000) 2.473 12.048 ( -0.000 -0.898 -0.000) 0.898 12.048 ( 0.000 11.318 0.000) 11.318 12.181 ( 0.000 4.515 0.000) 4.515 12.278 ( -0.000 -0.046 -0.000) 0.046 12.557 ( -0.000 -5.367 -0.000) 5.367 12.821 ( -0.000 -1.718 -0.000) 1.718 12.822 ( -0.000 -1.996 -0.000) 1.996 13.461 ( -0.000 -6.301 -0.000) 6.301 13.475 ( -0.000 -2.794 -0.000) 2.794 13.663 ( -0.000 -10.572 -0.000) 10.572 13.700 ( 0.000 1.061 0.000) 1.061 13.923 ( -0.000 -9.860 -0.000) 9.860 13.964 ( -0.000 -14.675 -0.000) 14.675 14.167 ( 0.000 0.167 0.000) 0.167 14.422 ( 0.000 1.072 0.000) 1.072 14.488 ( 0.000 0.778 0.000) 0.778 14.628 ( -0.000 -1.436 -0.000) 1.436 14.984 ( 0.000 4.126 0.000) 4.126 15.127 ( 0.000 9.489 0.000) 9.489 15.372 ( 0.000 2.496 0.000) 2.496 15.380 ( 0.000 2.962 0.000) 2.962 15.544 ( 0.000 0.621 0.000) 0.621 15.802 ( -0.000 -1.302 -0.000) 1.302 16.010 ( 0.000 4.521 0.000) 4.521 16.138 ( -0.000 -10.427 -0.000) 10.427 16.242 ( 0.000 4.558 0.000) 4.558 16.532 ( -0.000 -8.724 -0.000) 8.724 16.696 ( -0.000 -12.672 -0.000) 12.672 17.011 ( 0.000 1.597 0.000) 1.597 17.704 ( 0.000 4.870 0.000) 4.870 18.421 ( 0.000 4.949 0.000) 4.949 18.840 ( 0.000 4.999 0.000) 4.999 20.800 ( 0.000 1.636 0.000) 1.636 21.020 ( -0.000 -5.279 -0.000) 5.279 21.066 ( 0.000 7.342 0.000) 7.342 21.817 ( 0.000 5.295 0.000) 5.295 ======================= Grid point 45 (28/117) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.012 0.000 3.058) 3.058 2.087 ( 4.191 0.000 -7.513) 8.603 2.152 ( -8.339 -0.000 -0.561) 8.358 2.562 ( -2.720 -0.000 0.642) 2.795 2.792 ( -6.337 -0.000 10.856) 12.571 2.843 ( 2.348 0.000 0.747) 2.464 2.897 ( 3.089 0.000 -0.635) 3.154 3.118 ( 3.191 0.000 6.118) 6.900 3.148 ( -6.634 -0.000 0.375) 6.645 3.335 ( 0.109 0.000 -4.210) 4.211 3.517 ( -9.295 -0.000 -6.786) 11.509 3.579 ( 8.189 0.000 -1.165) 8.272 3.774 ( -1.398 -0.000 5.244) 5.427 3.941 ( 3.128 0.000 -5.748) 6.544 4.062 ( 5.745 0.000 -2.961) 6.463 4.142 ( 0.057 0.000 1.947) 1.948 4.208 ( 0.188 0.000 -2.476) 2.483 4.325 ( 3.237 0.000 2.820) 4.293 4.344 ( -2.115 -0.000 -2.118) 2.993 4.535 ( 4.825 0.000 2.089) 5.258 4.612 ( 5.007 0.000 -0.966) 5.100 4.624 ( -2.522 -0.000 -4.560) 5.211 4.851 ( -8.809 -0.000 -2.632) 9.194 4.875 ( 5.275 0.000 -2.673) 5.913 5.137 ( 4.648 0.000 8.074) 9.317 5.252 ( -1.483 -0.000 6.575) 6.740 5.413 ( -7.467 -0.000 -1.551) 7.626 5.647 ( -0.384 -0.000 0.243) 0.454 5.850 ( 3.469 0.000 -4.838) 5.953 6.072 ( 0.725 0.000 7.428) 7.463 6.316 ( -2.413 -0.000 -1.852) 3.042 6.501 ( 3.757 0.000 -0.530) 3.794 6.515 ( 4.743 0.000 -4.647) 6.640 6.679 ( 1.685 0.000 1.496) 2.253 6.771 ( 6.555 0.000 2.320) 6.953 7.200 ( 10.460 0.000 -0.419) 10.468 7.381 ( -0.546 -0.000 -0.107) 0.556 7.811 ( 1.482 0.000 0.461) 1.552 8.029 ( -0.736 -0.000 -0.410) 0.843 8.488 ( -8.446 -0.000 -0.524) 8.463 8.843 ( -3.902 -0.000 -1.949) 4.362 9.459 ( 6.982 0.000 2.680) 7.479 9.673 ( 5.670 0.000 0.110) 5.671 9.790 ( -9.207 -0.000 5.130) 10.540 9.958 ( -0.132 -0.000 -1.376) 1.383 10.211 ( -3.982 -0.000 -1.335) 4.200 10.286 ( 0.512 0.000 5.297) 5.321 10.467 ( -5.468 -0.000 -12.335) 13.492 10.874 ( -0.998 -0.000 0.499) 1.116 11.180 ( -3.179 -0.000 -0.772) 3.271 11.251 ( -3.700 -0.000 -0.314) 3.713 11.263 ( 2.743 0.000 3.448) 4.406 11.502 ( 5.063 0.000 -1.035) 5.168 11.787 ( -2.952 -0.000 1.881) 3.500 12.043 ( 5.409 0.000 3.741) 6.577 12.128 ( -0.770 -0.000 -4.509) 4.574 12.222 ( 2.528 0.000 -6.933) 7.380 12.302 ( -3.496 -0.000 2.024) 4.039 12.394 ( 4.395 0.000 2.025) 4.839 12.751 ( 1.473 0.000 3.588) 3.879 13.057 ( 6.887 0.000 -2.678) 7.389 13.184 ( -3.697 -0.000 6.218) 7.234 13.197 ( -3.555 -0.000 -3.505) 4.992 13.457 ( 10.301 0.000 -3.249) 10.801 13.580 ( 4.637 0.000 1.762) 4.960 13.617 ( -1.599 -0.000 1.805) 2.412 13.813 ( -9.904 -0.000 0.062) 9.904 14.033 ( 0.782 0.000 -3.791) 3.871 14.491 ( 0.306 0.000 2.479) 2.498 14.641 ( -1.943 -0.000 2.480) 3.150 14.717 ( -4.863 -0.000 2.960) 5.693 15.144 ( 10.799 0.000 -0.842) 10.832 15.179 ( 5.740 0.000 -3.387) 6.664 15.378 ( -9.427 -0.000 -1.084) 9.489 15.437 ( 3.690 0.000 0.998) 3.823 15.615 ( -7.759 -0.000 0.837) 7.804 15.674 ( 9.975 0.000 -3.086) 10.442 16.095 ( -6.693 -0.000 4.660) 8.156 16.154 ( 2.384 0.000 5.094) 5.624 16.351 ( -7.641 -0.000 -6.012) 9.723 16.378 ( -2.575 -0.000 -3.709) 4.515 16.610 ( -12.898 -0.000 1.366) 12.971 17.341 ( -12.294 -0.000 -1.345) 12.368 17.880 ( -3.884 -0.000 0.881) 3.982 18.508 ( 0.827 0.000 1.666) 1.860 18.870 ( 3.519 0.000 -1.133) 3.697 20.719 ( 2.796 0.000 0.489) 2.839 20.833 ( 4.338 0.000 -0.243) 4.344 21.240 ( 1.839 0.000 0.181) 1.847 21.817 ( 6.274 0.000 -0.142) 6.276 ======================= Grid point 47 (29/117) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -4.009 3.957 0.123) 5.634 2.055 ( -0.334 0.177 0.961) 1.033 2.168 ( 4.147 -1.631 -6.295) 7.713 2.442 ( -8.945 -0.894 4.574) 10.086 2.745 ( 3.172 7.629 5.712) 10.044 2.865 ( 0.315 0.692 -0.032) 0.761 2.949 ( 4.457 3.614 1.167) 5.855 3.024 ( -0.880 7.390 3.282) 8.134 3.194 ( 1.194 -2.137 -0.004) 2.448 3.223 ( -8.708 8.847 -7.221) 14.361 3.465 ( -2.226 -10.614 -1.453) 10.941 3.669 ( 2.824 1.452 -1.139) 3.373 3.785 ( 2.059 -0.977 3.090) 3.839 3.964 ( 0.508 0.724 -0.879) 1.246 4.098 ( -0.232 3.186 -1.857) 3.695 4.167 ( 2.154 -1.702 -1.647) 3.201 4.203 ( 1.134 1.762 -2.238) 3.066 4.321 ( -0.922 -2.315 -0.370) 2.519 4.364 ( -1.470 -4.577 3.941) 6.216 4.553 ( -2.688 0.409 -1.602) 3.156 4.583 ( 2.401 2.494 -1.066) 3.623 4.736 ( 5.355 -3.511 -1.157) 6.507 4.774 ( 0.773 3.398 -0.598) 3.535 4.932 ( 1.472 9.830 -0.154) 9.941 5.070 ( -2.352 7.268 2.846) 8.151 5.283 ( -2.787 -1.647 4.381) 5.448 5.358 ( -0.535 -12.125 -1.745) 12.261 5.658 ( 1.611 1.701 0.094) 2.345 5.900 ( 4.360 2.163 -2.985) 5.709 6.039 ( -2.441 3.083 5.250) 6.559 6.285 ( -2.836 -4.813 -1.007) 5.677 6.489 ( 1.241 6.159 -0.876) 6.344 6.616 ( 1.874 -6.448 -2.313) 7.102 6.740 ( 2.901 -1.855 0.613) 3.497 6.863 ( 3.550 -0.391 1.366) 3.824 7.309 ( 4.138 4.846 -0.473) 6.390 7.405 ( 1.822 -3.064 0.118) 3.567 7.833 ( 1.549 1.029 0.382) 1.898 8.020 ( -0.440 -0.517 -0.108) 0.688 8.387 ( -4.787 -2.466 -0.338) 5.396 8.814 ( -1.224 -3.044 -1.617) 3.658 9.569 ( 4.876 -1.352 2.102) 5.479 9.642 ( -7.859 -0.776 2.759) 8.365 9.743 ( 2.514 0.238 -0.182) 2.532 9.956 ( -0.106 0.083 -0.732) 0.744 10.127 ( -2.347 5.010 1.444) 5.718 10.308 ( -0.864 -0.415 0.928) 1.334 10.389 ( -3.201 -5.035 -6.774) 9.027 10.869 ( -0.252 -1.565 0.554) 1.679 11.097 ( -3.977 2.113 -3.140) 5.490 11.242 ( 0.651 -0.467 2.474) 2.601 11.313 ( 1.853 -2.171 2.410) 3.736 11.583 ( 3.556 -0.934 -1.583) 4.003 11.751 ( -1.607 0.112 1.077) 1.937 12.058 ( -2.038 0.353 4.706) 5.140 12.149 ( 3.187 0.155 -6.994) 7.687 12.200 ( -2.401 -2.412 -3.773) 5.081 12.309 ( 2.104 3.227 2.016) 4.348 12.486 ( 5.286 0.480 1.333) 5.472 12.778 ( 3.355 2.769 2.846) 5.199 13.030 ( -3.349 9.967 0.567) 10.530 13.186 ( 5.222 -5.779 -1.892) 8.015 13.275 ( -0.784 -11.910 1.634) 12.047 13.523 ( -5.024 -1.819 -2.857) 6.059 13.624 ( 0.256 -3.917 1.513) 4.207 13.666 ( 6.373 -0.678 2.916) 7.041 13.741 ( 0.772 -1.073 -1.258) 1.825 14.097 ( 6.299 -0.370 -1.972) 6.611 14.479 ( -1.041 1.025 0.169) 1.471 14.603 ( -5.526 0.938 3.461) 6.588 14.617 ( -3.870 -0.842 0.108) 3.962 15.178 ( -9.577 2.856 -2.414) 10.281 15.265 ( 8.656 4.710 -2.855) 10.260 15.340 ( 7.791 -2.162 -1.247) 8.181 15.473 ( 0.944 1.657 1.675) 2.538 15.545 ( -1.103 -0.064 4.065) 4.213 15.818 ( 4.343 -1.705 -1.732) 4.976 15.932 ( -9.850 -0.640 1.576) 9.996 16.163 ( -0.629 4.464 -0.002) 4.508 16.273 ( -2.297 -5.352 -1.454) 6.002 16.364 ( -2.938 -3.200 -0.113) 4.346 16.470 ( -3.485 -1.046 0.703) 3.706 17.147 ( -10.274 0.105 -2.240) 10.516 17.820 ( -2.659 1.104 1.014) 3.053 18.512 ( 0.328 1.189 0.913) 1.535 18.911 ( 2.039 1.116 -0.634) 2.410 20.757 ( 1.386 -0.883 0.244) 1.661 20.894 ( 2.451 -1.238 -0.062) 2.747 21.251 ( 1.000 2.851 0.095) 3.023 21.894 ( 3.765 1.657 -0.060) 4.114 ======================= Grid point 48 (30/117) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 7.575 0.000) 7.575 2.048 ( 0.000 1.290 0.000) 1.290 2.232 ( -0.000 -1.070 -0.000) 1.070 2.370 ( -0.000 -2.896 -0.000) 2.896 2.690 ( 0.000 14.369 0.000) 14.369 2.840 ( 0.000 3.231 0.000) 3.231 2.898 ( 0.000 15.797 0.000) 15.797 2.984 ( 0.000 2.873 0.000) 2.873 3.032 ( 0.000 3.175 0.000) 3.175 3.222 ( -0.000 -1.167 -0.000) 1.167 3.535 ( -0.000 -4.528 -0.000) 4.528 3.671 ( 0.000 0.848 0.000) 0.848 3.831 ( -0.000 -2.502 -0.000) 2.502 3.953 ( 0.000 1.670 0.000) 1.670 4.043 ( 0.000 6.135 0.000) 6.135 4.181 ( 0.000 0.596 0.000) 0.596 4.210 ( -0.000 -0.469 -0.000) 0.469 4.381 ( -0.000 -6.269 -0.000) 6.269 4.387 ( -0.000 -5.685 -0.000) 5.685 4.518 ( 0.000 3.388 0.000) 3.388 4.620 ( -0.000 -5.607 -0.000) 5.607 4.673 ( 0.000 21.103 0.000) 21.103 4.781 ( 0.000 10.093 0.000) 10.093 4.861 ( -0.000 -7.098 -0.000) 7.098 4.980 ( 0.000 4.467 0.000) 4.467 5.299 ( -0.000 -4.126 -0.000) 4.126 5.480 ( -0.000 -9.193 -0.000) 9.193 5.646 ( 0.000 2.647 0.000) 2.647 5.937 ( 0.000 2.586 0.000) 2.586 5.960 ( 0.000 4.513 0.000) 4.513 6.324 ( -0.000 -6.466 -0.000) 6.466 6.436 ( 0.000 6.541 0.000) 6.541 6.696 ( -0.000 -6.275 -0.000) 6.275 6.796 ( -0.000 -4.970 -0.000) 4.970 6.893 ( -0.000 -0.535 -0.000) 0.535 7.283 ( 0.000 5.459 0.000) 5.459 7.451 ( -0.000 -1.881 -0.000) 1.881 7.834 ( 0.000 1.523 0.000) 1.523 8.025 ( -0.000 -1.130 -0.000) 1.130 8.384 ( -0.000 -4.886 -0.000) 4.886 8.855 ( -0.000 -6.424 -0.000) 6.424 9.583 ( -0.000 -1.551 -0.000) 1.551 9.625 ( -0.000 -0.584 -0.000) 0.584 9.760 ( -0.000 -0.257 -0.000) 0.257 9.952 ( 0.000 0.309 0.000) 0.309 10.063 ( 0.000 3.320 0.000) 3.320 10.252 ( 0.000 5.372 0.000) 5.372 10.472 ( -0.000 -11.619 -0.000) 11.619 10.896 ( -0.000 -3.665 -0.000) 3.665 11.028 ( 0.000 3.975 0.000) 3.975 11.260 ( -0.000 -1.197 -0.000) 1.197 11.360 ( -0.000 -3.421 -0.000) 3.421 11.621 ( -0.000 -0.981 -0.000) 0.981 11.730 ( 0.000 1.044 0.000) 1.044 12.038 ( -0.000 -0.091 -0.000) 0.091 12.181 ( 0.000 0.089 0.000) 0.089 12.214 ( -0.000 -4.473 -0.000) 4.473 12.274 ( 0.000 6.891 0.000) 6.891 12.525 ( 0.000 0.910 0.000) 0.910 12.805 ( 0.000 0.482 0.000) 0.482 12.897 ( 0.000 8.410 0.000) 8.410 13.332 ( -0.000 -6.329 -0.000) 6.329 13.348 ( -0.000 -10.580 -0.000) 10.580 13.493 ( -0.000 -5.253 -0.000) 5.253 13.687 ( -0.000 -6.047 -0.000) 6.047 13.742 ( -0.000 -2.850 -0.000) 2.850 13.780 ( -0.000 -4.170 -0.000) 4.170 14.176 ( 0.000 0.542 0.000) 0.542 14.455 ( 0.000 1.675 0.000) 1.675 14.507 ( 0.000 0.893 0.000) 0.893 14.604 ( -0.000 -0.920 -0.000) 0.920 15.064 ( 0.000 3.323 0.000) 3.323 15.295 ( 0.000 7.046 0.000) 7.046 15.416 ( 0.000 1.208 0.000) 1.208 15.448 ( 0.000 3.228 0.000) 3.228 15.546 ( -0.000 -0.183 -0.000) 0.183 15.786 ( -0.000 -0.053 -0.000) 0.053 15.953 ( -0.000 -7.864 -0.000) 7.864 16.096 ( 0.000 4.403 0.000) 4.403 16.312 ( -0.000 -0.046 -0.000) 0.046 16.355 ( -0.000 -6.112 -0.000) 6.112 16.501 ( -0.000 -6.892 -0.000) 6.892 17.041 ( 0.000 1.251 0.000) 1.251 17.778 ( 0.000 2.490 0.000) 2.490 18.496 ( 0.000 2.567 0.000) 2.567 18.912 ( 0.000 2.303 0.000) 2.303 20.782 ( -0.000 -1.615 -0.000) 1.615 20.937 ( -0.000 -2.937 -0.000) 2.937 21.215 ( 0.000 5.912 0.000) 5.912 21.902 ( 0.000 3.106 0.000) 3.106 ======================= Grid point 58 (31/117) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 -0.000 -0.000) 0.000 2.055 ( -0.000 -0.000 -0.000) 0.000 2.214 ( -0.000 -0.000 -0.000) 0.000 2.340 ( -0.000 -0.000 -0.000) 0.000 2.802 ( -0.000 -0.000 -0.000) 0.000 2.873 ( -0.000 -0.000 -0.000) 0.000 3.001 ( -0.000 -0.000 -0.000) 0.000 3.077 ( -0.000 -0.000 -0.000) 0.000 3.200 ( -0.000 -0.000 -0.000) 0.000 3.254 ( -0.000 -0.000 -0.000) 0.000 3.320 ( -0.000 -0.000 -0.000) 0.000 3.696 ( -0.000 -0.000 -0.000) 0.000 3.805 ( -0.000 -0.000 -0.000) 0.000 3.972 ( -0.000 -0.000 -0.000) 0.000 4.105 ( -0.000 -0.000 -0.000) 0.000 4.202 ( -0.000 -0.000 -0.000) 0.000 4.223 ( -0.000 -0.000 -0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.307 ( -0.000 -0.000 -0.000) 0.000 4.507 ( -0.000 -0.000 -0.000) 0.000 4.610 ( -0.000 -0.000 -0.000) 0.000 4.764 ( -0.000 -0.000 -0.000) 0.000 4.828 ( -0.000 -0.000 -0.000) 0.000 5.060 ( -0.000 -0.000 -0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.240 ( -0.000 -0.000 -0.000) 0.000 5.244 ( -0.000 -0.000 -0.000) 0.000 5.686 ( -0.000 -0.000 -0.000) 0.000 5.969 ( -0.000 -0.000 -0.000) 0.000 6.007 ( -0.000 -0.000 -0.000) 0.000 6.229 ( -0.000 -0.000 -0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.565 ( -0.000 -0.000 -0.000) 0.000 6.762 ( -0.000 -0.000 -0.000) 0.000 6.895 ( -0.000 -0.000 -0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.392 ( -0.000 -0.000 -0.000) 0.000 7.854 ( -0.000 -0.000 -0.000) 0.000 8.013 ( -0.000 -0.000 -0.000) 0.000 8.333 ( -0.000 -0.000 -0.000) 0.000 8.788 ( -0.000 -0.000 -0.000) 0.000 9.566 ( -0.000 -0.000 -0.000) 0.000 9.606 ( -0.000 -0.000 -0.000) 0.000 9.770 ( -0.000 -0.000 -0.000) 0.000 9.955 ( -0.000 -0.000 -0.000) 0.000 10.142 ( -0.000 -0.000 -0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.310 ( -0.000 -0.000 -0.000) 0.000 10.858 ( -0.000 -0.000 -0.000) 0.000 11.077 ( -0.000 -0.000 -0.000) 0.000 11.244 ( -0.000 -0.000 -0.000) 0.000 11.315 ( -0.000 -0.000 -0.000) 0.000 11.614 ( -0.000 -0.000 -0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 12.038 ( -0.000 -0.000 -0.000) 0.000 12.163 ( -0.000 -0.000 -0.000) 0.000 12.174 ( -0.000 -0.000 -0.000) 0.000 12.346 ( -0.000 -0.000 -0.000) 0.000 12.540 ( -0.000 -0.000 -0.000) 0.000 12.825 ( -0.000 -0.000 -0.000) 0.000 13.106 ( -0.000 -0.000 -0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.253 ( -0.000 -0.000 -0.000) 0.000 13.444 ( -0.000 -0.000 -0.000) 0.000 13.602 ( -0.000 -0.000 -0.000) 0.000 13.737 ( -0.000 -0.000 -0.000) 0.000 13.743 ( -0.000 -0.000 -0.000) 0.000 14.182 ( -0.000 -0.000 -0.000) 0.000 14.473 ( -0.000 -0.000 -0.000) 0.000 14.517 ( -0.000 -0.000 -0.000) 0.000 14.594 ( -0.000 -0.000 -0.000) 0.000 15.099 ( -0.000 -0.000 -0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.408 ( -0.000 -0.000 -0.000) 0.000 15.483 ( -0.000 -0.000 -0.000) 0.000 15.544 ( -0.000 -0.000 -0.000) 0.000 15.799 ( -0.000 -0.000 -0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 16.180 ( -0.000 -0.000 -0.000) 0.000 16.212 ( -0.000 -0.000 -0.000) 0.000 16.344 ( -0.000 -0.000 -0.000) 0.000 16.436 ( -0.000 -0.000 -0.000) 0.000 17.054 ( -0.000 -0.000 -0.000) 0.000 17.802 ( -0.000 -0.000 -0.000) 0.000 18.521 ( -0.000 -0.000 -0.000) 0.000 18.934 ( -0.000 -0.000 -0.000) 0.000 20.764 ( -0.000 -0.000 -0.000) 0.000 20.907 ( -0.000 -0.000 -0.000) 0.000 21.275 ( -0.000 -0.000 -0.000) 0.000 21.934 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 2.701 0.000 33.770) 33.878 0.723 ( -1.132 -0.000 35.423) 35.442 1.174 ( -12.850 -0.000 56.731) 58.168 1.852 ( -3.237 -0.000 -21.920) 22.158 2.021 ( 1.278 0.000 -24.241) 24.275 2.342 ( 1.570 0.000 -0.227) 1.586 2.423 ( 0.428 0.000 1.305) 1.374 2.702 ( 2.450 0.000 7.981) 8.348 2.884 ( 0.124 0.000 9.485) 9.485 2.890 ( -5.879 -0.000 -2.444) 6.367 3.134 ( 3.224 0.000 -13.812) 14.184 3.349 ( 0.551 0.000 -7.636) 7.656 3.489 ( 3.332 0.000 -14.394) 14.774 3.611 ( -1.516 -0.000 4.270) 4.531 3.728 ( -18.420 -0.000 -3.564) 18.762 3.886 ( 0.229 0.000 1.970) 1.983 4.192 ( 1.203 0.000 -7.704) 7.797 4.269 ( -0.024 -0.000 0.828) 0.829 4.337 ( 1.290 0.000 1.312) 1.840 4.425 ( 1.522 0.000 -1.508) 2.142 4.651 ( -2.583 -0.000 -1.665) 3.073 4.666 ( 7.000 0.000 -4.087) 8.106 4.692 ( -2.692 -0.000 -5.216) 5.870 4.817 ( 3.590 0.000 1.169) 3.775 5.322 ( -0.181 -0.000 -0.002) 0.181 5.359 ( -7.242 -0.000 17.197) 18.659 5.441 ( 2.205 0.000 0.848) 2.362 5.603 ( 5.215 0.000 11.036) 12.206 5.696 ( 0.475 0.000 -5.445) 5.466 6.014 ( -0.684 -0.000 7.029) 7.062 6.078 ( -16.369 -0.000 -4.760) 17.047 6.379 ( 0.155 0.000 2.825) 2.829 6.530 ( -0.410 -0.000 -2.902) 2.931 6.913 ( 2.409 0.000 -0.508) 2.462 7.276 ( -3.002 -0.000 1.085) 3.192 7.325 ( 0.106 0.000 -0.861) 0.868 7.853 ( 6.045 0.000 -9.073) 10.902 8.220 ( 0.182 0.000 -0.098) 0.207 8.363 ( 4.667 0.000 9.228) 10.341 8.985 ( -1.940 -0.000 2.466) 3.137 9.046 ( -0.569 -0.000 0.183) 0.598 9.255 ( 0.298 0.000 -0.677) 0.740 9.328 ( 3.543 0.000 -6.017) 6.983 9.887 ( 0.167 0.000 0.901) 0.916 10.005 ( -0.168 -0.000 1.439) 1.448 10.254 ( -10.683 -0.000 -0.376) 10.689 10.398 ( 0.157 0.000 -1.043) 1.055 10.634 ( -2.031 -0.000 0.070) 2.033 11.138 ( 9.879 0.000 -4.274) 10.764 11.346 ( 5.995 0.000 3.751) 7.072 11.561 ( 0.629 0.000 0.237) 0.672 11.568 ( 5.690 0.000 0.887) 5.759 11.619 ( -5.596 -0.000 -0.651) 5.634 11.738 ( 0.222 0.000 -0.697) 0.731 11.792 ( -1.692 -0.000 -4.343) 4.661 11.832 ( -2.558 -0.000 2.873) 3.847 12.017 ( 1.813 0.000 -2.506) 3.093 12.126 ( -4.418 -0.000 4.776) 6.506 13.161 ( 1.446 0.000 -1.267) 1.923 13.217 ( 2.133 0.000 0.079) 2.135 13.438 ( 12.567 0.000 1.685) 12.679 13.564 ( -3.779 -0.000 0.158) 3.782 13.686 ( -1.209 -0.000 0.284) 1.242 13.886 ( -19.359 -0.000 -1.536) 19.419 13.996 ( 1.534 0.000 -0.709) 1.690 14.253 ( -3.475 -0.000 -0.573) 3.522 14.262 ( 0.004 0.000 0.595) 0.595 14.315 ( -2.297 -0.000 -1.792) 2.913 14.373 ( 0.319 0.000 0.245) 0.402 14.472 ( -25.087 -0.000 10.430) 27.168 14.949 ( -1.693 -0.000 -0.123) 1.698 15.049 ( 2.048 0.000 1.213) 2.380 15.054 ( 7.599 0.000 -14.310) 16.202 15.134 ( -0.461 -0.000 -1.381) 1.456 15.514 ( 20.616 0.000 2.452) 20.761 15.538 ( -3.617 -0.000 -0.018) 3.617 15.840 ( 0.990 0.000 4.754) 4.856 15.854 ( -0.558 -0.000 0.603) 0.821 15.879 ( 0.446 0.000 -0.415) 0.609 16.040 ( 2.178 0.000 -0.448) 2.223 16.817 ( -17.699 -0.000 -0.112) 17.699 17.173 ( -1.186 -0.000 0.194) 1.202 17.628 ( 44.104 0.000 -0.620) 44.108 17.670 ( 5.312 0.000 0.351) 5.324 18.056 ( -0.690 -0.000 -0.943) 1.169 18.137 ( 0.681 0.000 0.945) 1.165 20.194 ( 0.123 0.000 -0.029) 0.126 20.218 ( -0.104 -0.000 0.060) 0.120 21.528 ( -1.486 -0.000 -0.275) 1.511 21.576 ( -15.451 -0.000 0.280) 15.454 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.288 -11.328 27.493) 31.152 0.947 ( 20.517 0.957 27.291) 34.156 1.570 ( 31.251 -23.839 27.459) 47.947 1.853 ( 1.732 -4.396 -18.291) 18.891 2.093 ( 6.427 -5.735 -16.473) 18.589 2.437 ( 0.540 -8.344 -3.072) 8.908 2.463 ( 0.607 -6.647 -1.407) 6.821 2.717 ( -1.723 -0.416 4.404) 4.747 2.773 ( -0.757 1.745 4.917) 5.272 2.938 ( 2.891 -3.565 5.884) 7.462 3.209 ( 3.698 -3.281 -5.440) 7.351 3.373 ( -3.102 -6.420 -7.456) 10.316 3.555 ( -3.239 0.193 -0.688) 3.316 3.613 ( 4.415 -3.099 -3.643) 6.510 3.633 ( 8.281 -4.137 -10.982) 14.363 3.913 ( 1.010 -2.023 1.329) 2.623 4.168 ( -1.827 1.643 -7.092) 7.505 4.239 ( -1.421 2.492 -1.045) 3.053 4.382 ( 1.248 -2.676 4.374) 5.277 4.506 ( 7.078 1.832 -3.345) 8.040 4.610 ( -1.048 2.593 -1.857) 3.358 4.661 ( -1.057 -4.459 -2.249) 5.105 4.753 ( 3.906 3.403 -6.142) 8.035 4.906 ( 2.652 -4.226 -1.784) 5.299 5.250 ( -7.689 2.181 17.616) 19.345 5.290 ( -1.368 2.129 0.659) 2.615 5.501 ( 2.448 -2.585 0.834) 3.657 5.647 ( 1.490 1.941 -0.904) 2.608 5.727 ( 0.326 -5.558 4.765) 7.328 5.841 ( -5.361 10.184 -0.838) 11.539 6.029 ( -4.450 -6.781 3.374) 8.785 6.383 ( -0.243 -0.939 3.155) 3.301 6.527 ( -1.011 -1.409 -3.283) 3.713 6.925 ( -0.189 1.521 0.740) 1.702 7.213 ( -2.195 1.706 -1.965) 3.404 7.329 ( -2.187 -3.162 -0.722) 3.912 7.886 ( 2.803 7.174 -7.218) 10.556 8.151 ( -5.202 3.229 0.267) 6.128 8.321 ( -6.549 4.783 9.387) 12.405 8.982 ( 0.317 -2.152 0.365) 2.206 9.089 ( 4.090 1.238 1.397) 4.496 9.259 ( 0.575 -0.946 -2.295) 2.549 9.472 ( 6.072 -5.443 -12.647) 15.048 9.859 ( -0.517 1.983 0.130) 2.054 9.982 ( -3.800 0.040 1.848) 4.225 10.206 ( 3.749 -0.862 6.643) 7.677 10.369 ( -1.320 3.307 -0.137) 3.563 10.570 ( -4.889 -0.439 0.560) 4.941 11.160 ( -3.937 1.198 -5.028) 6.497 11.356 ( -5.973 1.696 2.753) 6.792 11.432 ( -7.322 4.732 -0.900) 8.764 11.546 ( -1.882 0.626 -0.019) 1.983 11.695 ( 5.708 -1.490 -0.035) 5.899 11.707 ( 1.486 5.812 4.496) 7.496 11.771 ( 1.036 1.452 -1.601) 2.397 11.899 ( 6.148 -6.178 -1.403) 8.829 12.016 ( 1.895 2.823 1.576) 3.748 12.166 ( 0.078 -6.962 3.667) 7.869 12.918 ( -27.314 11.326 23.631) 37.852 13.130 ( -1.523 10.073 -0.483) 10.199 13.312 ( -4.705 -6.180 6.619) 10.205 13.447 ( -6.171 8.270 0.036) 10.318 13.535 ( -5.859 -1.095 0.848) 6.021 13.743 ( 6.765 2.054 0.958) 7.134 14.010 ( -1.602 -1.382 -1.905) 2.847 14.180 ( -3.507 5.020 -2.770) 6.721 14.220 ( -1.484 2.512 2.128) 3.611 14.272 ( 2.782 1.020 0.455) 2.998 14.372 ( 1.513 -0.559 -0.101) 1.617 14.468 ( -0.298 -4.620 0.188) 4.634 14.924 ( 0.646 3.399 1.346) 3.712 15.019 ( -1.861 5.640 -2.386) 6.400 15.037 ( 3.466 7.258 -1.088) 8.116 15.219 ( 1.012 -7.807 -5.308) 9.495 15.395 ( -5.580 2.533 -3.563) 7.088 15.511 ( -12.783 4.024 6.011) 14.687 15.876 ( 2.353 0.281 0.203) 2.378 15.917 ( 4.409 -0.346 0.093) 4.423 16.004 ( 3.581 -9.905 -9.334) 14.074 16.146 ( 4.333 -2.288 0.935) 4.989 16.606 ( -5.656 0.945 7.716) 9.614 17.326 ( 17.026 3.580 -0.910) 17.422 17.515 ( -3.675 6.658 -6.721) 10.149 18.002 ( 7.297 13.241 0.391) 15.124 18.124 ( 5.248 -0.723 -0.174) 5.301 18.540 ( 22.963 4.345 -16.583) 28.656 20.248 ( 1.400 -7.059 0.270) 7.201 20.408 ( -1.819 -29.305 -11.147) 31.406 21.188 ( -15.306 0.834 11.771) 19.327 21.586 ( 1.841 0.895 3.198) 3.797 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 23.004 -14.174 10.390) 28.949 1.302 ( 22.003 3.761 16.186) 27.573 1.932 ( 1.554 -6.604 -11.253) 13.140 2.119 ( 9.280 -11.457 -10.768) 18.258 2.429 ( 12.446 -5.119 2.634) 13.713 2.510 ( 0.380 -6.241 1.867) 6.525 2.670 ( 14.516 -15.626 3.033) 21.543 2.721 ( 9.952 -3.418 3.254) 11.014 2.806 ( 4.329 1.237 3.827) 5.909 3.053 ( 7.166 -3.299 4.825) 9.248 3.294 ( 0.540 -6.841 -4.814) 8.382 3.364 ( -2.933 -4.452 -3.226) 6.231 3.524 ( -2.138 -3.417 -3.100) 5.085 3.693 ( 1.510 -6.849 3.637) 7.901 3.904 ( 14.784 -2.399 -11.227) 18.718 3.950 ( 1.636 -1.960 0.227) 2.563 4.087 ( -3.146 4.887 -2.268) 6.239 4.215 ( -0.306 -1.565 -5.670) 5.890 4.438 ( 1.331 -3.026 2.861) 4.372 4.559 ( 2.320 0.718 -7.892) 8.257 4.572 ( -1.348 -0.187 -0.611) 1.492 4.736 ( -1.058 3.273 -4.802) 5.907 4.773 ( 6.932 -3.824 0.311) 7.923 4.964 ( 0.841 -1.074 2.311) 2.684 5.062 ( -9.274 5.128 10.000) 14.571 5.252 ( -1.994 -0.028 2.280) 3.029 5.523 ( -2.100 5.170 1.010) 5.671 5.595 ( -3.757 3.303 -0.820) 5.070 5.705 ( -2.154 -2.134 -3.825) 4.881 5.802 ( 1.352 -2.593 6.582) 7.202 5.996 ( -6.305 -6.322 1.305) 9.024 6.385 ( -1.484 -1.347 2.782) 3.429 6.517 ( -2.452 -2.631 -1.913) 4.074 6.876 ( -3.001 2.756 1.799) 4.454 7.182 ( -0.156 1.183 -5.711) 5.835 7.301 ( -4.824 -2.592 -0.644) 5.514 7.791 ( -1.114 13.643 -3.679) 14.174 8.051 ( -3.612 0.767 -1.827) 4.120 8.130 ( -9.275 5.767 10.787) 15.351 9.014 ( 0.537 -1.792 -0.086) 1.873 9.114 ( 4.752 7.766 1.044) 9.164 9.298 ( 0.144 -4.534 0.118) 4.538 9.585 ( 1.408 -5.701 -11.446) 12.865 9.857 ( 0.687 -0.178 0.170) 0.730 9.911 ( -2.265 1.640 0.048) 2.797 10.192 ( -3.863 5.673 1.048) 6.943 10.365 ( -0.054 -1.573 3.169) 3.539 10.545 ( 2.714 -1.513 6.222) 6.955 11.038 ( -6.600 3.314 -5.135) 8.995 11.222 ( -5.489 1.004 2.204) 6.000 11.320 ( -4.336 1.349 -0.125) 4.542 11.489 ( -3.416 1.652 0.112) 3.796 11.655 ( -2.198 1.709 0.028) 2.784 11.773 ( 2.195 1.201 -0.251) 2.515 11.850 ( 6.125 -3.375 2.365) 7.383 11.977 ( 2.476 3.149 -0.215) 4.012 12.138 ( 8.735 -6.755 2.013) 11.224 12.210 ( -1.352 -4.505 3.727) 6.001 12.562 ( -7.693 7.971 12.502) 16.704 12.975 ( -4.366 10.417 -1.907) 11.454 13.180 ( -12.324 11.470 -4.077) 17.323 13.307 ( -4.179 -3.802 -1.424) 5.827 13.502 ( -1.211 -0.924 6.892) 7.059 13.830 ( 5.731 2.052 1.232) 6.211 13.940 ( -6.913 1.741 -2.959) 7.718 14.083 ( -3.042 3.866 -3.099) 5.814 14.132 ( -3.953 5.311 0.891) 6.680 14.283 ( -1.481 -1.087 -4.562) 4.918 14.417 ( 1.399 -3.150 2.173) 4.074 14.481 ( 0.604 2.047 -3.376) 3.994 14.912 ( 3.631 7.611 1.579) 8.579 14.943 ( -0.165 1.347 -2.749) 3.065 15.010 ( -2.846 0.761 5.586) 6.316 15.242 ( -4.295 -3.734 0.927) 5.766 15.322 ( -2.881 1.614 0.550) 3.348 15.394 ( 1.995 -3.708 -3.722) 5.620 15.871 ( -2.612 2.972 0.052) 3.957 15.981 ( 1.881 -0.606 -0.760) 2.118 16.097 ( 3.392 -3.407 -4.842) 6.823 16.232 ( 1.953 -6.635 0.196) 6.920 16.627 ( 6.871 0.935 7.667) 10.338 17.382 ( -1.904 10.600 -7.208) 12.959 17.551 ( 15.822 8.038 -2.587) 17.934 17.989 ( 2.611 5.614 2.530) 6.689 18.239 ( 4.115 -6.776 0.744) 7.963 18.686 ( 6.934 6.025 -4.176) 10.090 20.358 ( 1.347 -9.363 0.099) 9.460 20.565 ( -7.901 -20.370 -5.148) 22.447 21.055 ( -1.894 1.509 2.848) 3.739 21.590 ( -0.646 0.416 2.993) 3.090 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 14.718 4.352 10.114) 18.381 1.795 ( 23.269 -11.641 2.250) 26.116 2.004 ( 0.544 -5.624 -4.914) 7.488 2.303 ( 4.610 -4.783 -5.142) 8.400 2.566 ( 4.570 -2.056 -2.185) 5.467 2.613 ( 5.664 -3.432 6.334) 9.164 2.738 ( 0.211 -2.698 0.202) 2.714 2.864 ( 7.969 -0.001 -3.872) 8.860 3.144 ( -0.219 1.051 3.175) 3.351 3.210 ( 11.843 -7.474 -2.839) 14.289 3.369 ( -0.317 -2.931 -3.291) 4.418 3.507 ( 9.484 -8.411 3.001) 13.027 3.575 ( 3.768 -8.148 -1.639) 9.125 3.799 ( 2.215 -7.724 1.356) 8.149 3.943 ( -4.045 -0.706 -0.950) 4.215 3.994 ( 3.620 -0.735 -2.177) 4.288 4.172 ( 5.603 -3.692 5.404) 8.616 4.250 ( 5.972 -0.449 -2.167) 6.369 4.451 ( -2.846 -0.340 -0.526) 2.914 4.578 ( 0.366 -1.934 -4.390) 4.812 4.596 ( 0.724 -1.405 -1.733) 2.346 4.701 ( 3.620 -0.450 -6.963) 7.861 4.802 ( -6.496 7.465 8.916) 13.319 4.936 ( 4.713 -1.668 -1.971) 5.374 5.020 ( -0.475 -1.694 1.294) 2.184 5.231 ( -1.326 -1.822 0.161) 2.260 5.354 ( -2.844 9.563 0.533) 9.991 5.579 ( -0.519 -1.213 3.588) 3.823 5.682 ( -1.921 1.768 -3.575) 4.427 5.790 ( -4.238 -1.487 0.471) 4.516 6.007 ( -4.093 -10.764 1.597) 11.626 6.356 ( -3.103 -0.789 -0.700) 3.278 6.504 ( -2.782 -3.917 3.481) 5.933 6.790 ( -3.913 2.040 1.465) 4.650 7.152 ( -1.618 2.810 -6.029) 6.846 7.225 ( -5.553 -0.483 -0.427) 5.590 7.627 ( -1.681 12.349 -2.255) 12.665 7.921 ( -7.248 6.004 3.982) 10.220 8.018 ( -2.308 -1.174 2.238) 3.422 9.015 ( 0.191 2.876 1.840) 3.420 9.125 ( 4.500 4.862 -0.600) 6.652 9.326 ( -2.047 -3.488 2.869) 4.959 9.593 ( -5.619 -3.283 -9.949) 11.889 9.884 ( 2.618 -1.288 -0.613) 2.982 9.909 ( 2.230 -0.070 0.007) 2.231 10.068 ( -3.575 4.911 2.099) 6.427 10.350 ( -1.940 -1.476 -0.696) 2.535 10.635 ( 2.761 -0.239 10.234) 10.603 10.906 ( -3.980 2.142 -4.338) 6.265 11.177 ( -1.182 -1.880 -0.517) 2.280 11.253 ( -3.081 -0.305 0.888) 3.221 11.409 ( -3.176 2.973 0.319) 4.362 11.582 ( -4.215 2.038 -3.046) 5.586 11.801 ( 0.525 -1.625 1.282) 2.135 11.953 ( 4.140 1.324 3.830) 5.793 12.015 ( 3.873 -1.761 1.214) 4.425 12.229 ( -0.779 -3.944 2.738) 4.864 12.357 ( 8.422 -6.939 1.716) 11.046 12.437 ( 1.247 9.151 1.409) 9.343 12.812 ( -2.978 8.294 -2.057) 9.049 12.846 ( -12.779 10.385 -6.045) 17.541 13.265 ( -3.470 -1.250 -1.714) 4.067 13.460 ( -4.464 2.563 6.622) 8.388 13.751 ( -12.425 4.432 -3.070) 13.544 13.871 ( 1.021 2.366 0.537) 2.632 13.939 ( -6.273 5.268 2.569) 8.585 14.087 ( 4.055 4.523 -2.265) 6.483 14.238 ( -5.282 -3.272 -8.838) 10.804 14.454 ( 0.725 -1.700 -0.982) 2.093 14.513 ( 6.089 2.461 3.618) 7.498 14.869 ( -0.187 4.665 5.596) 7.288 14.970 ( 0.793 -3.219 -0.123) 3.317 15.016 ( 2.945 -0.747 3.704) 4.790 15.205 ( -4.887 -3.372 -1.588) 6.145 15.307 ( 0.963 0.193 1.956) 2.189 15.476 ( 3.341 -1.436 -7.583) 8.410 15.764 ( -6.607 -1.265 0.940) 6.792 16.009 ( 1.464 0.426 1.237) 1.963 16.208 ( 6.376 -1.203 -1.707) 6.710 16.321 ( 1.904 -4.202 -0.799) 4.682 16.758 ( 7.671 -0.964 5.534) 9.507 17.238 ( -1.927 11.159 -6.165) 12.894 17.681 ( 10.158 8.444 -3.347) 13.627 17.980 ( 0.835 2.256 3.805) 4.502 18.381 ( 4.344 -6.941 0.852) 8.233 18.711 ( 1.739 2.460 -1.213) 3.247 20.459 ( 0.481 -7.409 -0.468) 7.440 20.596 ( -6.155 -11.170 0.097) 12.754 21.047 ( 1.289 0.303 -1.253) 1.823 21.564 ( -2.005 0.135 2.085) 2.895 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 8.220 3.961 6.947) 11.468 2.019 ( -0.943 -4.040 -1.382) 4.373 2.244 ( 14.525 -6.725 0.166) 16.007 2.401 ( 4.401 -2.654 -0.087) 5.140 2.602 ( -1.793 0.707 -0.621) 2.025 2.694 ( 3.477 1.230 6.325) 7.321 2.841 ( 6.570 -4.646 -3.241) 8.675 3.038 ( 8.444 -3.103 -4.736) 10.167 3.079 ( -2.980 0.186 0.846) 3.104 3.377 ( 2.350 -0.051 -3.414) 4.145 3.432 ( 5.745 -3.840 -3.541) 7.765 3.581 ( -1.208 -0.471 -1.008) 1.642 3.658 ( 2.201 -0.625 1.436) 2.701 3.829 ( -10.146 -5.397 4.765) 12.441 3.855 ( -0.626 1.919 -7.718) 7.977 4.128 ( 1.438 -2.342 -2.176) 3.505 4.188 ( -3.543 -3.564 2.344) 5.545 4.337 ( -1.243 2.483 -0.346) 2.798 4.516 ( 5.847 -0.414 3.658) 6.910 4.573 ( 1.099 -2.555 4.446) 5.244 4.646 ( 3.499 -1.682 0.315) 3.895 4.680 ( 0.047 4.599 1.983) 5.008 4.817 ( 4.216 -3.438 2.438) 5.961 4.991 ( 0.019 -1.544 0.036) 1.544 5.072 ( 7.600 -4.974 -6.808) 11.351 5.219 ( 0.043 2.317 -1.744) 2.901 5.348 ( 7.869 0.315 3.611) 8.663 5.566 ( -0.302 1.365 0.822) 1.622 5.639 ( -1.744 2.312 -2.024) 3.533 5.716 ( -5.951 -0.725 -2.925) 6.671 5.990 ( -9.501 -6.848 1.404) 11.796 6.319 ( -1.788 -1.357 -2.823) 3.606 6.500 ( -2.664 -2.922 6.313) 7.449 6.727 ( -1.302 1.514 0.828) 2.162 7.063 ( -4.285 3.567 -2.085) 5.953 7.150 ( -3.087 0.245 -0.704) 3.176 7.511 ( -0.640 6.705 -2.525) 7.193 7.788 ( -2.844 3.228 1.272) 4.486 8.006 ( -0.628 -0.999 1.098) 1.612 8.987 ( 0.686 3.445 3.133) 4.707 9.151 ( 1.541 1.459 0.498) 2.180 9.305 ( -3.186 -1.844 3.231) 4.898 9.503 ( -4.872 0.189 -9.570) 10.741 9.937 ( 1.570 -1.537 -0.109) 2.200 9.970 ( 3.282 1.589 3.367) 4.963 10.002 ( 0.704 0.237 -0.561) 0.931 10.346 ( -1.335 -2.523 -3.424) 4.458 10.597 ( -4.033 2.822 5.335) 7.259 10.897 ( 1.559 -1.313 4.775) 5.191 11.186 ( 0.227 -0.032 0.690) 0.727 11.228 ( -1.867 -3.027 -2.074) 4.117 11.340 ( -0.823 3.619 -0.569) 3.755 11.493 ( -3.134 1.683 -4.545) 5.772 11.805 ( -3.205 -3.030 4.084) 6.011 11.991 ( 2.236 2.927 1.315) 3.911 12.074 ( 1.231 0.593 -5.283) 5.457 12.281 ( 0.828 -4.703 4.414) 6.502 12.402 ( 5.641 6.760 -1.459) 8.925 12.533 ( 3.760 -3.747 4.255) 6.803 12.615 ( -4.217 3.201 0.511) 5.319 12.751 ( 3.213 2.565 -5.667) 7.001 13.225 ( -1.777 0.321 -3.258) 3.725 13.303 ( -9.696 4.220 3.145) 11.033 13.463 ( -13.124 6.710 0.024) 14.740 13.825 ( -1.603 3.579 0.357) 3.937 13.839 ( -2.329 1.344 -0.803) 2.806 14.126 ( 3.542 2.731 -1.278) 4.651 14.202 ( -3.241 -4.766 -8.515) 10.283 14.514 ( 3.890 -2.615 2.958) 5.543 14.588 ( 5.962 3.836 6.972) 9.943 14.850 ( 0.609 0.408 5.325) 5.375 15.002 ( -2.025 -3.051 1.329) 3.895 15.054 ( 0.291 2.261 2.267) 3.215 15.156 ( -1.254 -1.131 -6.276) 6.499 15.330 ( -0.136 -2.560 -0.505) 2.613 15.491 ( 0.433 3.485 -5.462) 6.494 15.734 ( -2.360 -6.845 0.763) 7.280 16.024 ( 2.136 2.337 4.925) 5.854 16.312 ( 4.979 -0.456 -0.983) 5.096 16.370 ( -0.363 -2.804 -1.603) 3.250 16.873 ( 3.678 -0.716 0.324) 3.761 17.113 ( -0.887 6.926 -2.263) 7.340 17.733 ( 5.178 5.624 -3.296) 8.325 17.975 ( -0.015 0.254 4.382) 4.389 18.506 ( 3.608 -4.372 0.645) 5.706 18.698 ( -0.943 1.486 -0.913) 1.983 20.517 ( 0.163 -3.575 -0.625) 3.633 20.597 ( -3.200 -4.960 0.940) 5.977 21.076 ( 1.618 -0.669 -1.581) 2.358 21.530 ( -1.828 0.136 1.509) 2.374 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 3.255 3.567 6.055) 7.745 2.031 ( -1.735 -3.504 -0.149) 3.913 2.400 ( 2.378 -1.151 0.094) 2.643 2.486 ( 1.600 3.870 1.746) 4.537 2.547 ( -2.578 0.015 2.083) 3.314 2.715 ( -0.421 0.774 -0.953) 1.297 2.940 ( -0.229 -0.034 -1.276) 1.297 3.017 ( -1.062 -2.293 -0.623) 2.603 3.209 ( 3.767 -3.213 -1.081) 5.068 3.402 ( 0.480 1.468 -6.187) 6.377 3.499 ( -0.433 -2.083 -2.966) 3.650 3.567 ( -0.691 -1.194 -1.027) 1.720 3.615 ( -8.210 1.012 -0.183) 8.274 3.735 ( 3.780 1.294 -2.607) 4.770 3.914 ( 6.398 -1.229 1.296) 6.643 4.092 ( -6.549 0.354 0.587) 6.585 4.146 ( -0.717 0.818 6.597) 6.686 4.317 ( -1.615 0.823 -4.815) 5.145 4.492 ( -2.595 -1.760 0.034) 3.136 4.631 ( 1.300 0.695 1.590) 2.168 4.655 ( 1.658 3.781 0.620) 4.175 4.701 ( 0.655 -3.003 4.630) 5.557 4.850 ( 1.766 0.849 0.358) 1.992 5.070 ( -4.222 1.853 0.759) 4.672 5.150 ( 7.374 -1.719 2.709) 8.042 5.352 ( 5.204 -1.336 -7.830) 9.496 5.446 ( -3.913 1.844 -1.286) 4.513 5.453 ( -6.631 -0.064 3.487) 7.492 5.652 ( 12.116 -0.706 3.312) 12.581 5.703 ( 3.950 -0.131 -4.195) 5.763 5.837 ( -12.200 -0.470 -1.293) 12.278 6.320 ( 0.017 -0.024 -2.530) 2.530 6.481 ( -1.867 -1.467 7.153) 7.537 6.700 ( 1.518 4.557 -0.740) 4.860 6.993 ( -1.244 -0.693 0.852) 1.659 7.126 ( -0.154 -0.931 -0.870) 1.284 7.474 ( 0.520 0.262 -2.316) 2.388 7.761 ( 1.116 0.394 -0.947) 1.516 8.017 ( 0.738 -0.986 0.950) 1.555 8.976 ( -0.250 0.492 3.997) 4.035 9.141 ( -1.261 -0.750 1.315) 1.970 9.273 ( -3.234 -2.339 1.296) 4.196 9.471 ( 4.097 3.629 -7.881) 9.595 9.942 ( -1.050 0.446 1.663) 2.017 9.996 ( 3.374 0.914 3.471) 4.926 10.069 ( 3.530 -1.127 -2.798) 4.644 10.329 ( -4.247 -2.714 -4.660) 6.864 10.513 ( -3.105 1.462 5.734) 6.683 10.943 ( 1.914 -2.111 6.853) 7.422 11.185 ( 0.915 1.656 2.557) 3.181 11.228 ( -1.457 -2.047 -3.709) 4.480 11.312 ( 1.024 3.309 -1.987) 3.993 11.467 ( 0.688 -0.652 -5.170) 5.256 11.757 ( -5.401 -1.736 6.255) 8.445 11.942 ( -0.953 4.304 -6.899) 8.187 12.099 ( 2.136 0.430 -3.484) 4.109 12.281 ( -0.130 2.202 3.447) 4.093 12.514 ( 1.591 -2.667 -0.349) 3.125 12.544 ( -0.171 -3.131 4.657) 5.614 12.615 ( 0.690 -3.050 6.422) 7.143 12.849 ( 6.008 -2.192 -7.880) 10.148 13.095 ( -8.654 3.578 0.789) 9.398 13.213 ( 1.951 1.356 -3.415) 4.160 13.301 ( 0.348 -0.298 1.523) 1.591 13.793 ( 0.553 0.531 -1.131) 1.366 13.810 ( 0.099 0.409 -0.778) 0.885 14.130 ( -0.641 0.969 -1.772) 2.119 14.202 ( -1.952 -3.511 -6.617) 7.741 14.620 ( 4.240 -3.094 7.222) 8.928 14.632 ( 4.156 4.675 8.474) 10.533 14.871 ( 1.117 0.528 4.117) 4.298 14.912 ( -6.386 2.184 0.421) 6.762 15.035 ( -1.667 -0.994 -4.542) 4.939 15.177 ( 3.074 2.811 -1.871) 4.567 15.335 ( -4.167 -4.785 -5.713) 8.538 15.471 ( 3.613 4.625 0.253) 5.874 15.764 ( -2.986 -5.871 -1.315) 6.716 16.050 ( 3.537 2.196 7.378) 8.472 16.349 ( -1.830 0.999 -0.184) 2.093 16.385 ( 0.643 -2.691 -2.875) 3.990 16.852 ( -2.298 5.064 -4.396) 7.088 17.111 ( 0.998 -4.237 1.706) 4.675 17.750 ( 1.560 1.611 -3.270) 3.965 17.978 ( -0.461 -1.303 4.644) 4.846 18.573 ( 0.793 -0.318 0.939) 1.269 18.657 ( -1.646 1.150 -1.403) 2.449 20.537 ( 0.511 0.654 -0.553) 0.997 20.593 ( -0.572 -0.544 0.844) 1.155 21.100 ( 0.507 -0.375 -1.509) 1.635 21.511 ( -0.167 0.122 1.371) 1.387 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -2.644 4.074 6.693) 8.269 2.035 ( -2.355 -3.872 -1.410) 4.746 2.366 ( -4.139 4.777 -4.755) 7.909 2.410 ( -7.222 7.987 5.497) 12.091 2.479 ( -0.885 -0.179 4.793) 4.878 2.664 ( -4.665 1.366 -4.097) 6.358 2.863 ( -5.182 3.477 2.033) 6.563 3.034 ( -1.951 -2.701 -3.386) 4.750 3.161 ( -11.514 -1.793 -1.879) 11.803 3.384 ( 1.655 1.553 -4.856) 5.360 3.463 ( -1.963 0.372 -1.413) 2.447 3.544 ( -2.054 -1.528 -0.920) 2.720 3.588 ( 0.848 0.942 2.064) 2.422 3.836 ( 6.050 1.979 -5.115) 8.165 3.966 ( -5.783 1.394 -4.580) 7.507 4.035 ( 5.350 1.146 5.710) 7.908 4.137 ( 0.569 2.593 4.655) 5.358 4.249 ( -2.438 3.726 -2.112) 4.928 4.471 ( -0.458 0.169 -4.445) 4.472 4.598 ( -9.609 1.367 7.912) 12.522 4.634 ( 2.419 4.850 2.245) 5.866 4.759 ( -0.187 -5.651 3.787) 6.805 4.849 ( -2.145 2.213 0.022) 3.082 4.948 ( -3.284 2.096 0.237) 3.903 5.161 ( -2.784 1.030 -6.166) 6.843 5.254 ( -0.407 2.131 -0.179) 2.177 5.425 ( -0.542 -2.293 4.761) 5.312 5.537 ( 5.827 -1.730 -1.918) 6.374 5.591 ( -11.226 1.723 -4.243) 12.124 5.794 ( 6.967 3.265 -3.371) 8.400 5.897 ( 11.168 2.018 3.854) 11.985 6.299 ( 0.174 2.461 -2.595) 3.580 6.475 ( -0.283 0.071 7.190) 7.196 6.725 ( 6.214 2.686 -0.479) 6.786 7.031 ( 2.848 -3.229 -1.504) 4.560 7.158 ( 2.256 -1.710 -0.814) 2.946 7.524 ( 2.076 -6.071 -2.270) 6.806 7.788 ( 1.143 -0.811 0.972) 1.706 8.057 ( 2.734 -1.526 1.149) 3.335 8.962 ( -3.305 -4.000 3.228) 6.111 9.143 ( -0.922 -2.172 0.657) 2.450 9.274 ( 1.790 -1.409 0.757) 2.400 9.531 ( 7.710 5.550 -6.668) 11.607 9.915 ( -1.142 1.372 1.651) 2.431 10.056 ( 3.640 -0.961 3.236) 4.965 10.117 ( 1.513 -0.345 -6.085) 6.280 10.254 ( -7.379 -2.508 -2.329) 8.134 10.480 ( 0.882 1.477 8.463) 8.636 11.016 ( 2.863 -3.376 5.737) 7.246 11.194 ( 1.692 1.161 -0.313) 2.075 11.221 ( -0.400 1.569 -2.007) 2.579 11.281 ( -0.394 1.732 -2.495) 3.063 11.505 ( 2.908 -0.883 -4.456) 5.394 11.713 ( -1.936 -3.244 5.859) 6.971 11.916 ( 0.631 0.832 -3.796) 3.937 12.088 ( -2.699 2.676 -0.759) 3.876 12.266 ( 0.568 1.550 4.147) 4.464 12.433 ( -5.331 2.436 -1.174) 5.977 12.545 ( -5.325 -5.439 2.126) 7.903 12.749 ( 2.829 -9.060 0.890) 9.533 12.869 ( -3.708 -0.957 -5.402) 6.622 13.070 ( 7.373 -2.650 0.134) 7.835 13.312 ( 9.027 0.212 1.332) 9.127 13.447 ( 10.982 -6.977 -0.351) 13.015 13.834 ( 2.648 -1.398 -0.552) 3.044 13.838 ( 3.688 -1.501 -0.305) 3.994 14.092 ( -3.179 -0.591 -1.205) 3.451 14.202 ( -0.934 -2.410 -7.193) 7.644 14.616 ( -2.769 2.586 5.288) 6.505 14.682 ( 0.461 1.789 2.618) 3.204 14.806 ( -0.025 1.379 8.515) 8.626 14.897 ( -0.168 0.023 1.259) 1.270 15.005 ( -1.127 1.069 -3.766) 4.074 15.184 ( 2.122 4.093 0.087) 4.611 15.283 ( -4.528 -0.962 -4.984) 6.802 15.534 ( 6.418 0.312 -2.847) 7.028 15.744 ( -4.561 -3.505 0.467) 5.771 16.086 ( 1.645 1.019 5.359) 5.697 16.274 ( -4.849 1.864 -1.542) 5.419 16.400 ( -0.549 0.633 -1.880) 2.059 16.756 ( -3.616 2.457 -0.230) 4.378 17.176 ( -1.502 -8.670 -1.548) 8.934 17.754 ( -1.833 -3.190 -3.980) 5.420 17.985 ( -1.538 -2.811 4.971) 5.914 18.519 ( -4.389 3.523 1.210) 5.757 18.639 ( 0.277 1.990 -1.501) 2.508 20.523 ( 1.208 4.679 -0.857) 4.908 20.582 ( 0.939 4.189 1.143) 4.442 21.104 ( 0.101 -0.558 -1.659) 1.753 21.524 ( 1.718 0.176 1.608) 2.360 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -11.113 5.226 9.097) 15.283 2.000 ( -9.907 -2.276 1.018) 10.216 2.107 ( -11.092 10.336 -1.657) 15.251 2.267 ( -3.577 4.494 -3.237) 6.593 2.481 ( 0.931 2.155 3.268) 4.024 2.541 ( -6.347 2.181 -5.429) 8.632 2.721 ( -5.720 5.950 2.981) 8.775 2.990 ( -7.409 -0.908 -2.021) 7.733 2.997 ( -8.002 -2.693 -1.761) 8.625 3.320 ( -10.802 5.701 -1.712) 12.334 3.419 ( 0.682 4.286 -3.523) 5.590 3.493 ( -10.710 10.800 4.130) 15.761 3.581 ( 2.340 -3.504 4.315) 6.031 3.755 ( -4.323 2.883 -6.795) 8.554 3.852 ( -3.238 6.422 0.667) 7.223 4.043 ( -1.748 2.661 0.815) 3.287 4.118 ( 0.569 2.442 2.394) 3.467 4.225 ( 3.740 1.155 -3.365) 5.162 4.436 ( -5.002 -0.832 2.641) 5.717 4.454 ( -1.103 6.479 -1.593) 6.763 4.622 ( -0.603 -0.708 -0.426) 1.022 4.749 ( -2.554 0.452 -5.387) 5.979 4.871 ( 1.734 -1.925 3.312) 4.205 4.895 ( -1.628 1.598 1.673) 2.829 5.138 ( -0.112 -3.840 -6.415) 7.477 5.266 ( 4.176 1.538 2.615) 5.162 5.425 ( -6.357 -1.049 -2.254) 6.826 5.502 ( 3.712 -3.644 6.090) 8.009 5.661 ( 5.004 -1.660 0.491) 5.295 5.833 ( 5.575 7.073 -2.279) 9.290 5.979 ( 4.610 5.234 2.231) 7.323 6.317 ( 4.188 2.098 -0.607) 4.723 6.486 ( 1.809 -0.479 3.788) 4.225 6.816 ( 5.869 1.323 0.402) 6.030 7.130 ( 4.476 -3.767 -4.796) 7.565 7.225 ( 4.011 -0.893 -0.955) 4.219 7.644 ( 1.564 -9.605 -3.017) 10.188 7.817 ( 2.058 -1.906 4.312) 5.144 8.135 ( 4.127 -2.033 2.720) 5.345 8.961 ( -4.103 -8.026 0.768) 9.047 9.149 ( -1.271 -3.064 0.307) 3.331 9.330 ( 3.340 1.739 2.605) 4.579 9.578 ( 5.904 8.273 -7.953) 12.905 9.891 ( -0.102 0.184 0.206) 0.294 10.069 ( -5.340 -1.325 -8.296) 9.955 10.167 ( -2.541 -3.868 4.915) 6.751 10.187 ( 4.398 -2.089 -0.327) 4.880 10.529 ( 7.161 2.930 11.681) 14.011 11.058 ( -2.227 4.098 -1.461) 4.888 11.112 ( -1.720 1.806 -2.874) 3.806 11.284 ( 4.779 -4.417 3.746) 7.509 11.323 ( 3.999 -1.800 -3.370) 5.531 11.575 ( 3.931 -1.640 -1.328) 4.461 11.742 ( -0.976 -5.324 5.076) 7.421 11.923 ( -0.301 -0.931 -2.776) 2.943 11.962 ( -7.507 3.040 2.380) 8.442 12.268 ( 1.415 5.363 4.597) 7.203 12.354 ( -1.097 1.863 1.565) 2.669 12.470 ( -6.427 -2.462 -0.241) 6.886 12.846 ( 1.092 -9.161 -1.695) 9.380 12.923 ( 2.448 -8.419 -6.713) 11.042 13.261 ( 10.068 -4.070 1.902) 11.025 13.451 ( 8.240 2.147 4.905) 9.827 13.732 ( 11.560 -9.634 -2.997) 15.344 13.897 ( 1.320 -1.944 0.694) 2.450 13.926 ( 3.679 -3.181 1.959) 5.243 14.061 ( -1.649 -2.041 -2.565) 3.669 14.250 ( 4.672 -4.223 -6.935) 9.368 14.508 ( -5.000 2.829 -3.172) 6.563 14.637 ( -1.432 5.308 1.426) 5.680 14.821 ( -0.584 -0.074 10.977) 10.993 14.872 ( -2.408 -0.939 0.121) 2.587 14.999 ( 1.746 0.514 0.707) 1.953 15.179 ( 0.530 1.263 -0.391) 1.424 15.226 ( 0.456 3.769 -1.635) 4.133 15.624 ( 0.039 -2.426 -8.091) 8.447 15.726 ( 1.706 -2.629 4.194) 5.236 16.069 ( -3.653 -0.343 1.681) 4.036 16.165 ( -4.064 4.411 -1.605) 6.208 16.345 ( -1.875 5.964 -2.302) 6.662 16.702 ( -3.007 -2.458 6.114) 7.243 17.225 ( -3.696 -10.174 -5.562) 12.170 17.746 ( -6.655 -9.390 -5.594) 12.796 17.978 ( -4.161 -4.493 5.666) 8.343 18.387 ( -6.071 5.158 1.441) 8.096 18.598 ( -0.585 6.183 -1.636) 6.422 20.482 ( 1.637 9.130 -1.111) 9.342 20.530 ( 0.722 9.109 0.856) 9.178 21.137 ( 2.773 -2.439 -1.765) 4.093 21.559 ( 2.608 0.359 2.404) 3.566 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -18.080 7.388 14.636) 24.407 1.601 ( -24.392 12.316 14.021) 30.712 1.992 ( -4.558 -1.321 -16.013) 16.701 2.164 ( -3.334 4.583 -12.767) 13.969 2.418 ( -10.593 9.551 7.907) 16.308 2.452 ( -3.899 0.194 0.894) 4.005 2.570 ( -13.963 12.075 2.591) 18.641 2.632 ( -10.388 7.738 7.421) 14.929 2.943 ( -4.240 -4.056 0.508) 5.889 3.047 ( -4.209 5.107 2.519) 7.081 3.239 ( -7.772 6.701 0.768) 10.290 3.400 ( 1.766 5.757 -4.680) 7.626 3.623 ( 0.459 0.684 2.119) 2.274 3.669 ( -3.834 6.739 -17.425) 19.072 3.850 ( 2.196 -3.557 1.670) 4.501 3.968 ( -0.898 0.671 -4.923) 5.049 4.066 ( -3.409 5.575 -0.152) 6.537 4.246 ( 0.933 4.026 -2.903) 5.050 4.362 ( 0.539 -0.130 -1.792) 1.876 4.419 ( -1.389 -1.611 1.647) 2.691 4.646 ( 1.532 -0.677 -1.583) 2.305 4.712 ( -2.664 -2.235 -2.657) 4.376 4.856 ( -0.715 3.619 0.181) 3.693 4.864 ( -3.284 1.008 0.361) 3.455 5.232 ( 3.426 -5.277 -2.148) 6.648 5.346 ( 5.098 -1.677 8.801) 10.308 5.381 ( 0.113 -0.296 -0.023) 0.317 5.581 ( 3.084 0.467 3.157) 4.438 5.655 ( -2.182 3.863 -1.380) 4.646 5.931 ( 7.836 2.339 4.815) 9.489 6.031 ( 5.537 -4.301 -1.641) 7.201 6.357 ( 2.824 1.973 1.658) 3.823 6.542 ( 3.840 0.301 -0.572) 3.894 6.868 ( 1.913 1.493 -0.138) 2.430 7.230 ( 3.052 -3.369 -4.576) 6.450 7.294 ( 3.520 0.225 -1.116) 3.700 7.704 ( -1.172 -3.998 -1.765) 4.525 7.956 ( 7.869 -7.442 2.790) 11.184 8.219 ( 3.102 -1.805 5.414) 6.496 8.978 ( -4.545 -9.360 -0.920) 10.446 9.154 ( -2.049 -2.169 1.987) 3.586 9.323 ( -0.000 4.487 1.610) 4.767 9.539 ( 0.826 10.469 -10.813) 15.074 9.915 ( 0.326 -1.808 -2.338) 2.974 9.969 ( -4.034 0.153 -2.589) 4.796 10.197 ( -0.709 -9.085 2.529) 9.457 10.330 ( 7.326 -3.009 1.954) 8.157 10.654 ( 11.813 5.527 13.511) 18.779 10.890 ( -8.673 3.903 -7.692) 12.232 11.151 ( 4.817 0.650 1.917) 5.225 11.407 ( 4.908 -1.520 -4.181) 6.624 11.422 ( 4.565 -4.033 1.530) 6.280 11.652 ( 1.963 -3.441 1.711) 4.315 11.771 ( -3.573 -5.744 3.507) 7.620 11.818 ( -5.400 1.252 2.041) 5.907 11.925 ( -1.428 -2.457 -3.488) 4.499 12.139 ( -6.178 8.342 1.860) 10.546 12.347 ( -3.275 -0.734 1.323) 3.608 12.508 ( 12.797 1.035 13.382) 18.545 12.988 ( 3.540 -10.139 -0.655) 10.759 13.047 ( 2.837 -7.687 -5.120) 9.662 13.460 ( 9.330 -3.213 1.589) 9.995 13.543 ( 6.267 3.190 5.033) 8.648 13.873 ( -3.480 -4.933 2.876) 6.687 13.968 ( 3.288 -4.942 -3.401) 6.841 14.021 ( 0.335 -2.998 -2.778) 4.101 14.099 ( 5.934 -5.347 -2.040) 8.244 14.351 ( -0.130 0.139 0.470) 0.507 14.498 ( 5.294 -4.115 -6.289) 9.193 14.529 ( -2.360 7.573 -3.009) 8.484 14.809 ( 0.740 0.300 7.906) 7.946 14.845 ( -3.970 -4.544 -0.538) 6.058 15.041 ( 0.114 -3.136 -0.414) 3.165 15.160 ( 1.882 5.249 -0.800) 5.633 15.273 ( 7.231 -1.413 3.665) 8.229 15.591 ( -3.997 -2.163 -4.878) 6.668 15.821 ( 3.378 -1.987 -0.183) 3.924 15.983 ( -6.060 0.192 -0.177) 6.066 16.060 ( -3.016 5.359 -1.923) 6.444 16.238 ( -1.359 8.712 -2.179) 9.082 16.706 ( 0.010 -3.186 9.691) 10.202 17.248 ( -4.794 -8.886 -8.069) 12.924 17.698 ( -16.081 -17.549 -8.721) 25.350 17.935 ( -8.229 -6.758 7.370) 12.950 18.228 ( -5.565 6.616 0.986) 8.701 18.484 ( -1.907 13.054 -2.975) 13.524 20.378 ( -1.080 11.860 0.601) 11.924 20.447 ( 2.772 13.560 -2.896) 14.140 21.250 ( 6.921 -3.966 -1.627) 8.141 21.604 ( 2.915 -0.118 3.897) 4.868 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -16.155 9.655 24.793) 31.127 1.039 ( -25.467 15.279 20.270) 35.957 1.705 ( -37.838 12.771 41.042) 57.265 1.933 ( -5.759 -1.989 -19.908) 20.820 2.062 ( -1.378 5.652 -21.614) 22.383 2.386 ( 1.893 10.214 -2.499) 10.684 2.441 ( -0.293 3.610 1.190) 3.812 2.637 ( 3.900 -0.388 4.656) 6.086 2.917 ( -3.359 -2.810 2.061) 4.840 2.950 ( -1.547 7.190 4.898) 8.837 3.117 ( -2.249 -0.885 -8.384) 8.725 3.367 ( 1.434 5.425 -7.371) 9.264 3.515 ( -3.139 4.339 -22.379) 23.011 3.634 ( 0.121 1.556 4.475) 4.740 3.846 ( -2.395 -3.394 -5.801) 7.134 3.952 ( -1.658 6.400 -1.541) 6.788 4.094 ( 7.656 -4.012 0.194) 8.646 4.245 ( 0.478 -1.618 -1.467) 2.235 4.369 ( 0.535 3.399 -0.321) 3.456 4.415 ( -0.915 -1.655 0.517) 1.960 4.675 ( -0.703 -2.065 -5.563) 5.975 4.689 ( -3.679 -2.557 -0.513) 4.509 4.742 ( -5.189 4.139 -4.826) 8.207 4.815 ( -0.446 3.599 1.455) 3.908 5.299 ( 0.817 -2.429 -0.085) 2.564 5.411 ( 2.797 1.284 2.673) 4.077 5.450 ( 1.025 -2.122 17.872) 18.026 5.535 ( -1.743 2.384 -0.848) 3.072 5.665 ( 4.340 1.361 -3.315) 5.628 5.990 ( 2.997 1.211 5.969) 6.788 6.201 ( -0.196 -11.731 -6.537) 13.430 6.376 ( 1.133 1.093 2.059) 2.592 6.565 ( 0.414 4.041 -3.522) 5.376 6.872 ( 1.252 0.410 -0.420) 1.383 7.283 ( -0.333 -3.080 -1.043) 3.269 7.327 ( 1.530 1.583 0.379) 2.234 7.744 ( 3.335 -2.467 -4.387) 6.038 8.152 ( 7.100 -3.194 -0.460) 7.799 8.274 ( 2.106 -1.681 10.672) 11.007 8.992 ( -3.488 -6.975 -0.239) 7.802 9.106 ( -4.366 0.641 3.853) 5.858 9.278 ( 0.114 4.062 -2.078) 4.564 9.404 ( -4.141 8.314 -11.124) 14.491 9.883 ( -2.103 -1.495 -1.184) 2.839 9.990 ( 2.693 0.721 1.699) 3.265 10.301 ( -0.807 -11.414 0.300) 11.447 10.435 ( 0.529 0.163 -3.087) 3.136 10.680 ( -4.660 3.339 -4.108) 7.053 10.882 ( 15.867 2.698 12.628) 20.457 11.243 ( 6.028 -0.133 3.331) 6.888 11.483 ( 3.441 -1.286 -3.503) 5.076 11.521 ( 3.501 -1.453 0.517) 3.826 11.682 ( -3.636 0.010 0.513) 3.672 11.717 ( -0.485 -3.016 1.744) 3.518 11.819 ( -2.013 -6.681 2.846) 7.535 11.896 ( -6.451 -0.131 -2.937) 7.090 11.996 ( -0.290 3.221 -0.259) 3.245 12.259 ( -5.561 3.632 -0.143) 6.643 12.882 ( 29.214 -4.717 23.591) 37.845 13.128 ( 2.662 -7.746 0.447) 8.203 13.159 ( 4.019 -3.690 0.751) 5.507 13.586 ( 3.032 2.153 3.161) 4.880 13.639 ( 6.499 -2.197 1.438) 7.009 13.875 ( -3.579 -9.375 2.632) 10.374 13.983 ( -0.353 0.063 -2.499) 2.525 14.117 ( 5.746 -6.567 -0.928) 8.775 14.237 ( 4.302 -2.583 1.664) 5.287 14.327 ( -3.606 -1.505 -2.284) 4.526 14.399 ( -1.728 6.529 -0.650) 6.785 14.634 ( 5.291 -0.991 3.679) 6.521 14.838 ( -8.266 -17.954 1.922) 19.858 14.914 ( 7.041 -6.325 -4.990) 10.699 15.019 ( -3.969 -0.124 -2.200) 4.540 15.149 ( 3.036 6.530 -1.925) 7.454 15.474 ( 8.670 -5.956 4.213) 11.331 15.546 ( -1.227 4.284 -8.288) 9.410 15.825 ( 0.999 6.473 0.065) 6.550 15.899 ( -2.693 1.074 0.186) 2.905 15.943 ( -2.852 7.756 -1.800) 8.458 16.132 ( -4.843 4.061 -0.874) 6.381 16.810 ( 10.786 -1.176 7.257) 13.053 17.231 ( -4.640 -4.500 -4.368) 7.801 17.494 ( -32.237 -20.295 -11.523) 39.798 17.837 ( -14.069 -9.002 7.378) 18.260 18.100 ( -2.075 5.195 -0.651) 5.632 18.278 ( -0.673 21.728 -3.644) 22.042 20.249 ( -1.457 8.171 0.321) 8.306 20.333 ( 2.394 18.106 -4.544) 18.821 21.420 ( 8.173 -2.811 -2.152) 8.907 21.664 ( 1.772 -2.878 2.722) 4.340 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 27.096 0.000 12.850) 29.989 1.411 ( 25.485 0.000 15.723) 29.945 1.859 ( 2.500 0.000 -14.748) 14.958 1.939 ( 20.827 0.000 -2.189) 20.942 2.357 ( 30.721 0.000 6.297) 31.360 2.401 ( 3.453 0.000 2.557) 4.297 2.491 ( 3.764 0.000 -1.456) 4.036 2.719 ( 3.401 0.000 1.904) 3.898 2.836 ( 5.421 0.000 4.087) 6.789 3.009 ( 6.989 0.000 3.234) 7.701 3.242 ( 2.921 0.000 -3.950) 4.913 3.294 ( -2.957 -0.000 -4.578) 5.450 3.491 ( -4.680 -0.000 -3.671) 5.948 3.621 ( 2.286 0.000 3.811) 4.445 3.884 ( 18.604 0.000 -10.825) 21.524 3.928 ( 1.400 0.000 -1.134) 1.802 4.149 ( -1.428 -0.000 -8.292) 8.414 4.197 ( -5.179 -0.000 1.117) 5.298 4.396 ( 2.103 0.000 3.760) 4.308 4.552 ( -4.230 -0.000 -0.812) 4.307 4.573 ( 1.415 0.000 -7.735) 7.863 4.746 ( 10.491 0.000 0.354) 10.497 4.784 ( -1.720 -0.000 -4.646) 4.954 4.930 ( 2.064 0.000 -1.279) 2.428 5.144 ( -8.270 -0.000 16.208) 18.196 5.245 ( -4.271 -0.000 0.055) 4.271 5.535 ( 2.221 0.000 3.514) 4.158 5.635 ( -1.999 -0.000 -5.419) 5.776 5.707 ( 0.245 0.000 -0.038) 0.248 5.836 ( -9.143 -0.000 6.474) 11.203 5.877 ( -3.545 -0.000 -1.074) 3.704 6.365 ( -1.583 -0.000 3.211) 3.580 6.494 ( -2.231 -0.000 -3.250) 3.942 6.911 ( -3.042 -0.000 2.074) 3.682 7.197 ( -0.153 -0.000 -5.806) 5.808 7.261 ( -3.846 -0.000 -0.436) 3.870 7.959 ( 1.713 0.000 -5.842) 6.088 8.050 ( -8.438 -0.000 -0.058) 8.438 8.184 ( -11.518 -0.000 11.479) 16.261 8.994 ( 2.059 0.000 1.770) 2.715 9.160 ( 4.026 0.000 0.583) 4.068 9.286 ( 0.960 0.000 -1.076) 1.442 9.507 ( 2.565 0.000 -11.991) 12.262 9.855 ( -0.208 -0.000 0.257) 0.331 9.936 ( -2.885 -0.000 1.471) 3.239 10.247 ( -1.206 -0.000 3.780) 3.968 10.354 ( -2.382 -0.000 -1.277) 2.703 10.522 ( 2.042 0.000 6.928) 7.222 11.072 ( -6.395 -0.000 -4.399) 7.762 11.240 ( -7.383 -0.000 -0.021) 7.383 11.338 ( -5.698 -0.000 -2.908) 6.397 11.498 ( -3.601 -0.000 1.046) 3.750 11.684 ( -3.480 -0.000 -0.051) 3.481 11.797 ( 0.308 0.000 -0.151) 0.343 11.810 ( 6.829 0.000 1.917) 7.093 12.000 ( 7.306 0.000 0.223) 7.309 12.076 ( 1.920 0.000 -0.213) 1.932 12.149 ( 3.017 0.000 7.784) 8.348 12.657 ( -9.459 -0.000 16.237) 18.791 13.128 ( -8.243 -0.000 -5.388) 9.848 13.218 ( -1.538 -0.000 5.493) 5.705 13.330 ( -12.002 -0.000 -7.223) 14.008 13.476 ( 0.060 0.000 8.403) 8.404 13.854 ( 5.036 0.000 0.565) 5.068 13.942 ( -5.366 -0.000 -3.809) 6.581 14.157 ( -6.295 -0.000 0.479) 6.313 14.164 ( -2.447 -0.000 -2.189) 3.284 14.282 ( -2.653 -0.000 -1.507) 3.051 14.369 ( -0.583 -0.000 0.072) 0.587 14.489 ( 4.507 0.000 -3.671) 5.813 14.938 ( -1.978 -0.000 0.955) 2.196 15.009 ( 0.570 0.000 -0.819) 0.998 15.116 ( -0.195 -0.000 -0.566) 0.599 15.149 ( -5.164 -0.000 -0.537) 5.192 15.309 ( -8.194 -0.000 8.332) 11.686 15.372 ( 2.105 0.000 -5.787) 6.158 15.937 ( 4.092 0.000 0.875) 4.185 15.970 ( -6.352 -0.000 -7.824) 10.078 16.032 ( 7.570 0.000 -0.498) 7.587 16.146 ( 3.136 0.000 1.012) 3.296 16.637 ( 6.035 0.000 8.402) 10.345 17.474 ( -1.608 -0.000 -12.302) 12.407 17.700 ( 18.944 0.000 4.477) 19.466 18.034 ( -1.095 -0.000 0.745) 1.325 18.119 ( -1.486 -0.000 -0.722) 1.652 18.857 ( 3.797 0.000 -12.440) 13.007 20.255 ( 3.497 0.000 -0.293) 3.509 20.261 ( 2.782 0.000 0.294) 2.798 21.072 ( -2.387 -0.000 3.220) 4.008 21.599 ( -0.715 -0.000 3.737) 3.805 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 28.157 -3.891 4.784) 28.824 1.727 ( 16.968 6.461 9.899) 20.680 1.906 ( 1.613 -3.199 -9.978) 10.602 2.236 ( 13.708 -1.831 -3.882) 14.364 2.496 ( 3.431 -5.468 0.895) 6.517 2.572 ( 9.253 2.637 0.710) 9.648 2.686 ( 3.270 -3.768 1.698) 5.270 2.889 ( 5.822 0.975 -0.400) 5.917 3.092 ( 22.167 -1.045 0.908) 22.211 3.175 ( 9.501 -1.061 3.847) 10.305 3.280 ( 10.395 -7.090 -1.972) 12.736 3.325 ( 2.458 -2.338 -4.538) 5.666 3.444 ( -0.670 -4.304 1.703) 4.677 3.677 ( 1.637 -3.515 4.260) 5.760 3.940 ( -0.464 0.101 -4.920) 4.943 4.051 ( -4.722 4.440 -1.449) 6.642 4.128 ( -1.184 -1.604 0.120) 1.997 4.193 ( 11.519 -3.504 -2.201) 12.240 4.445 ( 2.126 -0.244 4.043) 4.574 4.507 ( -2.194 -2.996 0.832) 3.805 4.599 ( 1.065 0.560 -11.472) 11.535 4.730 ( -0.136 1.828 -6.748) 6.993 4.881 ( 1.027 2.400 5.826) 6.384 4.955 ( -2.976 -2.243 0.733) 3.798 5.020 ( 3.152 4.319 4.416) 6.935 5.189 ( -2.971 -2.183 0.397) 3.708 5.562 ( 1.344 0.083 3.591) 3.835 5.569 ( -6.043 10.783 -0.884) 12.392 5.633 ( -1.079 -3.471 -4.244) 5.588 5.790 ( -7.644 -9.987 0.032) 12.576 5.819 ( -0.005 1.122 4.824) 4.953 6.330 ( -3.555 -1.283 1.820) 4.195 6.450 ( -3.354 -1.284 -1.452) 3.873 6.833 ( -4.805 1.684 3.220) 6.025 7.193 ( -1.845 0.266 -4.842) 5.189 7.195 ( -3.550 -0.591 -3.652) 5.127 7.850 ( -6.664 8.564 -0.966) 10.894 7.989 ( -7.158 -0.132 10.074) 12.359 7.996 ( -4.500 -0.549 -2.963) 5.415 9.032 ( 2.073 0.138 0.748) 2.208 9.197 ( -0.158 0.148 2.382) 2.392 9.277 ( -1.098 0.354 -1.695) 2.051 9.536 ( -0.885 -1.903 -6.357) 6.694 9.868 ( 2.063 -0.362 -1.241) 2.434 9.905 ( -0.200 -0.185 1.304) 1.333 10.156 ( -5.677 2.998 1.638) 6.625 10.323 ( -1.915 -1.051 -1.361) 2.574 10.619 ( 5.968 -0.823 10.522) 12.125 10.956 ( -6.011 1.805 -7.403) 9.705 11.151 ( -2.836 -0.416 -2.031) 3.513 11.260 ( -3.317 0.465 0.471) 3.382 11.437 ( -3.582 0.160 1.540) 3.903 11.616 ( -3.952 0.881 -1.211) 4.226 11.796 ( 0.387 1.442 0.040) 1.493 11.924 ( 5.250 -2.239 2.615) 6.278 12.022 ( -1.009 0.650 3.709) 3.898 12.133 ( -0.014 -4.616 1.574) 4.877 12.277 ( 10.271 -0.925 3.718) 10.962 12.589 ( 1.892 4.366 3.524) 5.921 12.939 ( -9.264 5.764 -3.756) 11.540 13.061 ( -11.632 5.632 -4.517) 13.690 13.240 ( -0.813 -0.018 1.086) 1.356 13.469 ( -3.425 -1.130 5.944) 6.952 13.817 ( -9.198 1.979 -2.429) 9.717 13.909 ( 1.867 1.293 1.227) 2.581 14.018 ( -8.199 2.222 0.966) 8.550 14.114 ( -3.702 -1.127 -7.017) 8.013 14.212 ( -3.980 0.583 -3.587) 5.389 14.386 ( 0.867 -2.959 -0.433) 3.114 14.569 ( 6.258 1.961 -0.700) 6.596 14.908 ( -1.924 -1.297 1.320) 2.669 14.958 ( -7.570 3.048 6.557) 10.468 15.055 ( 4.361 1.055 0.694) 4.540 15.120 ( -2.360 -2.181 -0.136) 3.216 15.306 ( 1.514 -1.282 4.898) 5.285 15.444 ( 5.767 -0.603 -7.420) 9.416 15.791 ( -9.870 2.141 -3.584) 10.716 16.010 ( 3.735 -0.197 1.625) 4.078 16.167 ( 6.882 -1.945 -1.687) 7.347 16.240 ( 4.092 -2.872 -1.477) 5.213 16.743 ( 5.469 -0.411 8.286) 9.937 17.400 ( -3.741 4.423 -10.179) 11.713 17.896 ( 9.834 12.545 0.290) 15.943 18.013 ( -0.262 0.672 2.770) 2.863 18.184 ( 2.912 -11.940 0.566) 12.303 18.814 ( -1.452 5.373 -3.079) 6.361 20.342 ( 4.195 -3.469 -0.244) 5.449 20.367 ( 2.155 -8.755 -0.025) 9.016 21.059 ( 0.620 0.488 -0.718) 1.067 21.576 ( -1.631 0.553 2.755) 3.249 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 7.225 6.014 5.246) 10.765 1.957 ( 2.825 -1.396 -2.331) 3.920 2.112 ( 20.788 -5.683 -1.142) 21.581 2.391 ( 6.794 2.106 1.110) 7.199 2.594 ( 1.689 -2.226 -0.284) 2.809 2.704 ( 5.721 -0.444 10.376) 11.857 2.784 ( 7.622 -0.742 -1.572) 7.818 2.988 ( 5.945 -1.938 -9.246) 11.162 3.142 ( 1.432 6.527 -0.034) 6.682 3.342 ( 6.288 -3.962 -4.639) 8.762 3.376 ( 6.304 -0.826 -1.897) 6.635 3.544 ( 4.730 -4.058 4.300) 7.572 3.642 ( 6.702 -1.459 -1.189) 6.961 3.713 ( -6.046 -5.532 4.672) 9.433 3.895 ( -0.814 1.465 -7.525) 7.710 4.029 ( 1.895 -5.088 -0.522) 5.454 4.105 ( -2.650 -3.441 -2.048) 4.802 4.390 ( -3.199 0.166 -0.623) 3.263 4.470 ( 13.774 -1.154 7.641) 15.794 4.533 ( -3.818 -3.697 2.443) 5.849 4.564 ( 1.349 -2.762 1.793) 3.559 4.749 ( -4.685 2.715 3.042) 6.211 4.825 ( 4.689 3.230 -1.793) 5.969 4.929 ( 0.754 -3.292 -4.006) 5.239 5.079 ( 4.669 3.356 -2.119) 6.128 5.236 ( 4.627 -1.263 -3.278) 5.809 5.420 ( 1.128 6.738 3.629) 7.735 5.588 ( 1.503 0.656 1.425) 2.173 5.654 ( -0.638 -1.996 -3.056) 3.705 5.701 ( -5.346 -1.353 0.703) 5.559 5.855 ( -2.339 -4.741 0.726) 5.336 6.280 ( -3.965 -2.222 -2.049) 4.986 6.427 ( -2.131 -3.838 2.809) 5.212 6.748 ( -3.049 1.217 3.930) 5.120 7.118 ( -5.863 -1.968 -0.192) 6.187 7.138 ( -3.825 3.107 -6.324) 8.018 7.662 ( -6.096 6.925 -0.814) 9.262 7.838 ( -6.174 1.136 4.919) 7.976 7.996 ( 0.511 0.178 -0.917) 1.064 9.046 ( 0.569 2.287 0.549) 2.420 9.160 ( -3.749 -0.432 2.966) 4.801 9.249 ( -3.919 -2.935 -1.106) 5.020 9.511 ( -1.282 0.712 -3.055) 3.389 9.915 ( 2.174 -0.539 -1.545) 2.721 9.953 ( 4.766 -1.682 -0.186) 5.057 10.052 ( -3.098 2.592 2.780) 4.903 10.311 ( -0.855 -0.971 -2.546) 2.856 10.662 ( -1.627 2.753 6.670) 7.397 10.883 ( 0.196 0.103 -1.425) 1.442 11.146 ( 0.193 -2.255 -3.032) 3.784 11.220 ( -0.751 0.920 1.456) 1.879 11.386 ( -1.881 0.701 1.183) 2.330 11.536 ( -3.950 1.661 -3.419) 5.482 11.773 ( -1.834 1.019 1.852) 2.799 11.986 ( -1.036 -3.072 0.560) 3.290 12.064 ( 4.752 -2.006 3.191) 6.066 12.165 ( -0.508 -3.877 1.523) 4.196 12.447 ( 6.144 -2.852 1.703) 6.984 12.589 ( 4.549 7.719 -1.134) 9.031 12.722 ( -8.806 6.321 -2.756) 11.184 12.873 ( -0.732 7.419 -0.859) 7.505 13.226 ( -0.709 0.313 -0.412) 0.878 13.354 ( -11.072 0.400 1.468) 11.176 13.593 ( -12.017 6.363 -0.671) 13.614 13.865 ( -4.715 1.450 -0.186) 4.936 13.886 ( -4.932 1.927 0.692) 5.340 14.076 ( -4.404 -6.784 -8.589) 11.797 14.176 ( 0.500 1.700 -2.112) 2.757 14.454 ( 3.948 -2.593 2.345) 5.273 14.658 ( 6.842 2.932 3.488) 8.221 14.833 ( -4.443 -1.627 8.411) 9.650 14.936 ( -0.657 -3.217 0.465) 3.316 15.092 ( -3.048 -1.829 -5.992) 6.967 15.141 ( 7.052 2.389 3.566) 8.256 15.307 ( -2.711 0.026 0.190) 2.718 15.543 ( 5.475 0.615 -9.156) 10.686 15.654 ( -4.350 -0.481 3.060) 5.341 16.065 ( 3.631 1.543 4.317) 5.849 16.276 ( 3.606 -1.823 -4.303) 5.903 16.313 ( 1.200 -3.027 -0.630) 3.317 16.827 ( 2.425 -2.675 6.228) 7.199 17.266 ( -5.033 6.734 -7.302) 11.136 17.863 ( 0.147 6.597 -2.421) 7.029 18.003 ( 0.668 2.778 3.956) 4.880 18.373 ( 5.823 -8.329 1.657) 10.297 18.744 ( -1.975 2.620 -1.471) 3.596 20.446 ( 4.153 -3.087 -0.422) 5.191 20.476 ( 2.014 -6.156 0.468) 6.494 21.076 ( 1.848 0.384 -1.405) 2.353 21.545 ( -1.003 1.021 1.817) 2.313 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.319 3.298 1.239) 4.218 1.997 ( 2.026 1.429 2.488) 3.513 2.369 ( 5.537 -1.728 -1.071) 5.898 2.504 ( 6.196 -1.755 0.687) 6.477 2.592 ( 0.661 4.310 2.531) 5.042 2.749 ( 1.472 2.726 5.205) 6.057 2.918 ( 3.961 -1.575 -0.500) 4.291 3.027 ( 0.305 1.886 -6.432) 6.710 3.184 ( 6.822 1.497 -0.699) 7.020 3.400 ( -2.964 -1.580 -4.571) 5.672 3.498 ( 4.086 1.059 -2.620) 4.968 3.561 ( -1.522 0.394 -0.931) 1.827 3.625 ( -4.038 0.075 2.232) 4.615 3.755 ( 8.567 0.232 0.839) 8.611 3.897 ( 3.282 0.208 -2.896) 4.382 4.067 ( -4.350 -4.837 -2.968) 7.150 4.105 ( -1.081 -2.915 3.415) 4.618 4.304 ( -2.916 -0.659 -1.923) 3.555 4.454 ( -4.260 -1.525 6.834) 8.196 4.599 ( -2.970 -2.517 -3.301) 5.105 4.655 ( -1.962 -2.525 2.310) 3.944 4.708 ( 0.849 0.837 1.873) 2.220 4.929 ( 3.829 -11.609 -0.857) 12.255 4.939 ( 3.825 7.311 1.877) 8.462 5.188 ( 5.918 3.163 3.990) 7.807 5.335 ( 10.533 0.329 -6.511) 12.388 5.452 ( 1.733 0.863 3.672) 4.151 5.546 ( -8.441 4.366 -2.878) 9.929 5.644 ( 7.028 0.858 -0.531) 7.100 5.704 ( 4.279 -0.687 1.241) 4.508 5.829 ( -3.155 0.128 -2.197) 3.847 6.273 ( -0.158 -4.194 -3.412) 5.409 6.442 ( -1.038 -2.849 4.615) 5.522 6.735 ( 1.535 -0.655 3.494) 3.872 7.011 ( -5.711 2.450 -1.169) 6.323 7.063 ( -4.646 -3.786 -1.665) 6.220 7.524 ( -3.893 3.567 -1.279) 5.433 7.777 ( -0.720 0.462 0.324) 0.914 8.007 ( 1.084 0.289 0.295) 1.160 8.999 ( -4.017 1.734 3.783) 5.784 9.110 ( -3.349 -2.154 0.369) 3.999 9.214 ( -3.311 -3.456 -1.587) 5.042 9.518 ( 3.703 1.250 -1.842) 4.320 9.948 ( 1.146 0.626 -1.322) 1.859 10.015 ( 0.769 0.461 2.630) 2.779 10.051 ( 4.545 -1.216 -0.702) 4.757 10.298 ( -1.884 -0.236 -2.903) 3.469 10.567 ( -3.839 3.817 3.146) 6.262 10.918 ( 1.878 -0.771 5.821) 6.165 11.178 ( 0.381 -2.524 -3.032) 3.964 11.214 ( 1.240 1.534 2.318) 3.044 11.367 ( 0.676 1.612 -1.298) 2.177 11.470 ( -1.502 0.437 -4.915) 5.158 11.724 ( -3.406 -0.291 3.354) 4.789 11.992 ( -2.029 -1.675 -2.780) 3.828 12.100 ( 0.220 1.596 -5.675) 5.899 12.221 ( -0.969 -5.984 4.710) 7.676 12.486 ( 0.090 -0.179 2.386) 2.394 12.568 ( -3.251 2.632 2.049) 4.657 12.624 ( 4.244 4.448 3.751) 7.202 12.877 ( 6.191 4.430 -3.992) 8.595 13.143 ( -9.728 0.415 0.307) 9.741 13.237 ( 1.941 0.844 -2.841) 3.543 13.341 ( -9.084 5.117 0.175) 10.427 13.788 ( -4.664 -1.406 -1.638) 5.139 13.809 ( -2.223 -0.442 -0.729) 2.381 14.092 ( -2.172 -6.717 -5.524) 8.964 14.156 ( -1.466 1.450 -1.237) 2.404 14.556 ( 4.370 -2.503 6.809) 8.469 14.711 ( 2.711 3.156 5.569) 6.951 14.834 ( 0.346 -3.511 5.431) 6.477 14.926 ( -4.077 -0.968 0.752) 4.257 15.057 ( 0.487 1.936 -7.438) 7.701 15.228 ( 3.072 0.634 -0.547) 3.184 15.252 ( -2.001 -1.524 -2.506) 3.550 15.575 ( 3.425 5.078 -1.227) 6.247 15.664 ( 0.509 -3.525 -0.299) 3.574 16.107 ( 3.883 2.980 7.630) 9.065 16.307 ( -2.413 -2.939 -4.504) 5.895 16.345 ( -0.160 -2.231 -1.531) 2.711 16.874 ( -1.134 -3.393 1.460) 3.864 17.112 ( -5.995 4.380 -2.924) 7.979 17.792 ( -3.344 2.116 -3.304) 5.156 17.986 ( 0.091 2.089 4.434) 4.902 18.517 ( 3.482 -4.418 1.713) 5.881 18.692 ( -1.585 1.771 -1.640) 2.887 20.534 ( 4.105 -0.740 -0.903) 4.268 20.558 ( 2.881 -2.620 1.088) 4.044 21.103 ( 1.748 0.595 -1.340) 2.282 21.531 ( 0.900 1.571 1.318) 2.239 ======================= Grid point 120 (46/117) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.548 4.104 1.350) 4.354 1.999 ( 0.097 1.477 2.547) 2.946 2.433 ( 2.224 0.105 1.918) 2.938 2.485 ( -4.730 2.180 0.264) 5.215 2.578 ( 0.057 8.252 3.320) 8.895 2.707 ( -2.066 3.402 -2.138) 4.518 2.920 ( -1.903 2.188 1.811) 3.419 3.015 ( -0.727 1.073 -6.180) 6.314 3.164 ( -9.983 2.114 -1.569) 10.324 3.356 ( 1.843 -3.010 -1.836) 3.978 3.504 ( 2.104 3.350 -5.247) 6.571 3.561 ( -2.474 2.918 -0.901) 3.930 3.608 ( 4.092 0.256 1.635) 4.414 3.887 ( 8.392 3.120 -3.828) 9.737 3.971 ( -4.443 -0.848 -2.846) 5.344 4.014 ( 5.510 -2.331 6.121) 8.559 4.163 ( 2.715 -0.714 5.315) 6.011 4.291 ( -1.561 -0.806 -3.089) 3.554 4.429 ( -1.862 -1.726 1.261) 2.835 4.537 ( -5.551 -5.643 3.095) 8.500 4.667 ( -2.229 -3.733 -2.120) 4.837 4.714 ( 0.981 -0.225 2.159) 2.382 4.899 ( -0.023 4.624 0.801) 4.693 5.009 ( -4.546 0.246 3.330) 5.640 5.245 ( -1.854 6.285 -1.595) 6.744 5.253 ( -4.596 -0.464 -2.068) 5.061 5.437 ( -0.841 4.058 3.345) 5.325 5.498 ( 6.377 -0.799 -1.635) 6.632 5.654 ( -8.490 3.053 -3.640) 9.729 5.848 ( 9.888 2.260 -6.652) 12.130 5.917 ( 16.376 0.599 5.701) 17.351 6.315 ( 0.300 -1.322 -3.026) 3.316 6.460 ( 1.003 -1.367 6.208) 6.436 6.782 ( 4.197 1.495 0.642) 4.502 6.955 ( -0.510 -3.172 -0.829) 3.318 7.057 ( -2.249 -7.175 -0.626) 7.545 7.466 ( -1.300 -0.373 -1.666) 2.146 7.784 ( 1.174 0.063 -0.380) 1.235 8.031 ( 1.790 -0.775 1.025) 2.203 8.900 ( -7.455 -2.230 4.851) 9.169 9.082 ( -3.819 -3.725 -1.517) 5.546 9.243 ( 4.127 -1.640 -0.829) 4.517 9.594 ( 6.164 0.820 -2.336) 6.643 9.941 ( -0.046 1.760 0.626) 1.868 10.048 ( 1.907 -0.523 -2.040) 2.841 10.110 ( 1.016 -1.134 -2.217) 2.690 10.239 ( -4.001 1.812 -0.299) 4.402 10.506 ( 0.154 1.402 6.442) 6.595 10.958 ( 1.758 -1.773 6.311) 6.787 11.206 ( 1.101 -1.654 -2.212) 2.973 11.225 ( 1.667 1.579 2.188) 3.172 11.344 ( -2.015 2.882 -3.590) 5.025 11.490 ( 2.746 -1.540 -4.066) 5.143 11.682 ( -1.100 0.044 2.581) 2.806 11.942 ( -2.351 1.633 -5.188) 5.925 12.084 ( -3.231 -1.579 -2.288) 4.262 12.222 ( -3.466 -4.368 2.491) 6.107 12.467 ( -2.778 -1.059 1.868) 3.511 12.536 ( -1.718 4.512 -0.934) 4.917 12.629 ( 1.454 -2.482 8.107) 8.603 12.911 ( 0.062 4.953 -6.404) 8.096 13.045 ( 1.257 -0.110 0.791) 1.489 13.287 ( 6.515 -2.929 -1.648) 7.330 13.337 ( 6.689 -3.228 1.476) 7.572 13.766 ( -1.293 -4.883 -1.490) 5.266 13.807 ( 0.169 -2.206 -0.747) 2.335 14.092 ( -4.856 0.523 -0.166) 4.887 14.119 ( -1.788 -5.317 -4.758) 7.355 14.617 ( -1.755 -2.582 6.665) 7.359 14.700 ( -0.060 2.747 2.606) 3.787 14.849 ( -2.667 -0.367 3.138) 4.134 14.878 ( 0.312 -0.160 1.313) 1.359 15.066 ( 3.823 4.094 -4.234) 7.022 15.217 ( -2.787 -4.617 -7.435) 9.185 15.281 ( 3.392 4.984 4.452) 7.495 15.597 ( 5.295 4.368 -1.393) 7.004 15.684 ( -1.570 -1.965 -0.374) 2.543 16.128 ( 1.340 3.241 6.499) 7.385 16.268 ( -4.649 -1.956 -0.300) 5.053 16.360 ( -1.116 -3.965 -3.603) 5.472 16.826 ( -5.267 2.783 -3.535) 6.927 17.016 ( -6.050 -6.198 1.755) 8.838 17.707 ( -6.610 -1.701 -4.553) 8.205 17.967 ( -0.892 0.900 4.812) 4.977 18.551 ( -2.766 -0.385 0.812) 2.908 18.676 ( 2.384 2.025 -0.818) 3.234 20.592 ( 3.878 1.936 -1.524) 4.595 20.632 ( 4.777 0.900 1.881) 5.213 21.112 ( 0.418 1.283 -1.338) 1.900 21.547 ( 3.154 2.061 1.133) 3.935 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -4.574 8.375 4.501) 10.550 1.974 ( -2.173 1.286 0.103) 2.527 2.340 ( -8.690 9.886 1.045) 13.204 2.382 ( -4.710 8.004 4.276) 10.224 2.483 ( -0.203 0.257 0.373) 0.496 2.629 ( -1.825 5.209 -5.641) 7.892 2.832 ( -4.441 4.516 0.558) 6.358 2.955 ( -8.565 -0.873 -4.912) 9.912 3.001 ( -2.070 1.760 -1.048) 2.912 3.407 ( -2.723 2.818 -1.320) 4.135 3.503 ( -0.025 -1.930 2.680) 3.302 3.513 ( 3.875 4.163 -6.401) 8.563 3.648 ( 2.841 5.361 2.429) 6.535 3.838 ( -5.970 3.652 -3.582) 7.862 3.983 ( 1.605 4.884 1.015) 5.241 4.104 ( -0.430 1.382 3.205) 3.517 4.146 ( -1.749 1.535 -3.642) 4.322 4.273 ( 1.574 3.487 6.111) 7.210 4.425 ( -5.483 -2.662 0.590) 6.124 4.472 ( 0.836 -0.702 1.394) 1.771 4.644 ( -3.675 0.472 -1.487) 3.993 4.760 ( -0.910 -1.019 -0.844) 1.606 4.833 ( -0.305 0.431 2.896) 2.944 4.907 ( -2.193 -0.613 0.873) 2.439 5.144 ( -2.347 5.013 -4.922) 7.407 5.288 ( 3.784 -2.758 -0.825) 4.754 5.373 ( -4.188 0.443 2.536) 4.916 5.499 ( -2.306 3.661 -4.392) 6.165 5.638 ( 7.131 -1.141 1.793) 7.441 5.956 ( 6.921 4.221 -1.604) 8.264 6.083 ( 5.374 5.635 3.331) 8.469 6.337 ( 3.538 -0.263 -2.695) 4.455 6.492 ( 2.067 0.758 5.303) 5.742 6.851 ( 5.444 1.420 0.213) 5.630 7.034 ( 3.615 -5.490 -3.522) 7.458 7.132 ( 1.570 -8.763 0.022) 8.903 7.482 ( 0.104 -4.870 -2.848) 5.642 7.799 ( 0.545 -0.184 2.018) 2.099 8.089 ( 3.145 -2.366 2.207) 4.512 8.821 ( -6.924 -5.936 3.291) 9.695 9.067 ( -2.928 -5.084 -1.708) 6.110 9.351 ( 6.689 0.261 0.673) 6.728 9.685 ( 6.071 1.461 -3.962) 7.396 9.907 ( -1.876 2.468 -0.348) 3.119 10.046 ( -3.643 -0.409 -8.883) 9.610 10.109 ( -4.144 -3.307 -1.571) 5.530 10.177 ( 1.822 1.946 5.552) 6.159 10.559 ( 6.488 0.009 10.729) 12.538 11.034 ( 3.571 -4.425 5.563) 7.955 11.191 ( -7.304 4.604 -7.138) 11.202 11.238 ( 1.073 -0.549 2.868) 3.111 11.287 ( 2.655 -1.448 -0.994) 3.184 11.558 ( 3.204 -1.259 -2.200) 4.085 11.703 ( 3.521 1.178 0.736) 3.785 11.892 ( -4.127 -1.133 -1.705) 4.606 12.001 ( -5.263 1.048 1.374) 5.539 12.238 ( -1.057 -4.981 1.846) 5.417 12.440 ( -2.267 -1.423 -0.962) 2.844 12.466 ( 0.565 6.204 0.482) 6.248 12.681 ( -0.470 -6.829 0.502) 6.864 12.840 ( -0.183 1.807 -3.894) 4.297 13.185 ( 9.586 -3.613 0.464) 10.254 13.457 ( 8.672 -1.750 2.709) 9.253 13.545 ( 10.318 -8.565 -0.193) 13.411 13.833 ( 1.926 -5.911 -0.834) 6.272 13.852 ( 0.288 -4.193 0.781) 4.275 14.006 ( -4.659 -2.216 1.091) 5.273 14.144 ( -0.740 -5.984 -6.114) 8.588 14.545 ( -6.032 1.110 -0.497) 6.154 14.684 ( -0.800 0.296 -1.342) 1.590 14.820 ( -2.780 -1.446 5.386) 6.231 14.871 ( -0.226 1.901 2.749) 3.350 15.076 ( 2.562 6.644 0.388) 7.132 15.215 ( 0.481 0.870 -3.224) 3.374 15.280 ( 1.944 2.481 2.669) 4.130 15.625 ( -0.688 1.885 -10.154) 10.350 15.698 ( 4.934 0.084 6.734) 8.349 16.079 ( -4.118 1.444 1.692) 4.680 16.201 ( -4.828 -0.501 0.448) 4.874 16.393 ( 1.143 -1.785 -0.993) 2.341 16.685 ( -7.438 1.543 -0.105) 7.597 17.009 ( -5.858 -11.181 -0.395) 12.629 17.597 ( -11.102 -5.592 -6.104) 13.848 17.933 ( -3.404 -0.184 5.137) 6.165 18.469 ( -4.751 2.930 -0.512) 5.605 18.697 ( 2.911 3.957 0.476) 4.935 20.631 ( 5.002 4.801 -2.544) 7.385 20.684 ( 4.754 5.921 3.030) 8.176 21.105 ( 0.343 -0.154 -1.527) 1.572 21.588 ( 4.212 2.574 1.181) 5.076 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -6.417 14.854 9.994) 19.018 1.825 ( -12.680 10.850 8.744) 18.840 2.069 ( -6.015 8.971 -4.959) 11.885 2.265 ( -2.261 5.843 -8.457) 10.524 2.455 ( -2.760 0.151 -0.858) 2.894 2.577 ( 0.762 5.140 -0.618) 5.233 2.708 ( -3.389 6.498 -1.236) 7.432 2.831 ( -7.271 2.132 -0.782) 7.617 2.930 ( -8.550 5.509 3.860) 10.879 3.172 ( -9.380 8.542 -1.372) 12.760 3.477 ( -4.621 13.925 7.009) 16.260 3.524 ( 1.355 7.645 -5.513) 9.523 3.603 ( 3.532 -2.527 3.382) 5.505 3.757 ( 1.722 1.972 -4.059) 4.830 3.875 ( -2.759 5.940 -2.767) 7.110 4.032 ( -1.997 5.361 -7.420) 9.369 4.139 ( 0.082 1.695 4.065) 4.405 4.313 ( 3.603 -1.314 1.618) 4.163 4.380 ( -1.801 3.484 -2.259) 4.526 4.460 ( -6.464 8.164 -2.936) 10.819 4.548 ( -1.505 -5.985 -0.487) 6.191 4.677 ( -4.991 -2.867 -5.292) 7.818 4.864 ( -1.232 -1.763 4.695) 5.164 4.969 ( 4.336 3.825 2.699) 6.380 5.097 ( 0.871 -5.043 -5.236) 7.321 5.314 ( 1.210 0.134 2.627) 2.895 5.412 ( 4.793 0.710 -1.649) 5.118 5.519 ( 3.188 -5.334 2.907) 6.861 5.711 ( 1.109 2.029 0.986) 2.514 5.998 ( 5.656 6.281 -2.025) 8.691 6.057 ( -0.487 4.142 5.724) 7.083 6.392 ( 2.050 1.059 0.919) 2.484 6.547 ( 5.550 0.535 0.501) 5.598 6.905 ( 2.430 1.966 0.922) 3.258 7.143 ( 2.779 -5.010 -5.216) 7.747 7.260 ( 4.280 -5.415 0.083) 6.903 7.555 ( -0.192 -9.346 -5.187) 10.691 7.835 ( 2.996 -3.493 4.662) 6.550 8.169 ( 2.535 -3.052 4.271) 5.829 8.794 ( -5.147 -8.600 1.171) 10.091 9.085 ( -1.158 -5.046 -1.288) 5.335 9.414 ( 2.675 4.003 1.572) 5.065 9.739 ( 3.511 8.541 -7.908) 12.158 9.851 ( -2.986 -4.000 -3.081) 5.866 9.957 ( -5.271 -1.015 -5.165) 7.449 10.080 ( -1.968 -2.717 3.821) 5.085 10.252 ( 3.927 -4.135 4.237) 7.104 10.711 ( 10.638 -0.123 11.492) 15.661 10.979 ( -10.561 4.484 -7.529) 13.723 11.148 ( 5.161 -2.100 4.018) 6.870 11.286 ( 1.156 -6.034 5.055) 7.957 11.374 ( 4.214 -2.244 -3.417) 5.871 11.600 ( -0.158 -1.461 0.589) 1.584 11.750 ( 3.921 2.585 -1.966) 5.092 11.826 ( -3.507 -0.849 0.851) 3.707 11.918 ( -3.610 2.748 0.055) 4.537 12.229 ( -4.380 -0.676 4.507) 6.321 12.387 ( -0.957 4.703 2.403) 5.367 12.507 ( 7.428 -1.582 -0.378) 7.604 12.781 ( 2.472 -9.662 -0.887) 10.013 12.886 ( 2.864 -5.828 -2.753) 7.053 13.383 ( 9.204 -4.147 -0.708) 10.120 13.588 ( 6.131 0.599 4.323) 7.526 13.773 ( 1.797 -7.070 -1.330) 7.415 13.824 ( -2.940 -5.595 0.130) 6.321 13.944 ( 3.777 -6.146 1.379) 7.344 14.013 ( -0.116 -3.351 -3.465) 4.822 14.268 ( 5.516 -9.634 -0.766) 11.127 14.441 ( -4.595 -0.033 -3.456) 5.750 14.654 ( -1.229 2.020 -5.879) 6.336 14.789 ( -2.593 -1.403 -0.567) 3.002 14.830 ( -2.752 2.338 9.297) 9.973 15.016 ( -1.476 3.670 2.841) 4.870 15.231 ( 3.036 2.724 -1.198) 4.251 15.304 ( 3.687 2.405 2.192) 4.918 15.570 ( -2.958 0.697 -5.690) 6.451 15.803 ( 6.257 0.441 1.448) 6.438 15.988 ( -5.103 0.635 0.880) 5.217 16.125 ( -3.821 0.636 -2.105) 4.409 16.381 ( -1.906 4.921 -2.526) 5.851 16.617 ( -1.331 -5.445 6.782) 8.798 17.036 ( -4.739 -11.890 -2.763) 13.095 17.435 ( -17.300 -9.062 -6.927) 20.722 17.853 ( -7.576 -1.279 5.085) 9.214 18.350 ( -4.207 5.461 -1.236) 7.004 18.683 ( 2.005 7.461 0.799) 7.766 20.648 ( 3.283 13.474 1.655) 13.967 20.664 ( 5.076 7.223 -2.790) 9.259 21.155 ( 3.340 -4.778 -0.824) 5.888 21.629 ( 3.736 2.821 1.315) 4.863 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -6.074 19.943 16.278) 26.450 1.407 ( -13.763 22.934 18.692) 32.631 1.954 ( -1.600 4.704 -16.514) 17.245 2.135 ( -24.085 21.336 13.386) 34.849 2.197 ( -3.847 10.575 -6.167) 12.832 2.465 ( 1.236 3.860 0.249) 4.061 2.608 ( -1.651 2.385 0.059) 2.902 2.699 ( 5.393 9.125 -5.933) 12.147 2.818 ( -4.292 -4.684 2.218) 6.729 3.120 ( 2.492 2.608 -1.747) 4.008 3.232 ( -3.885 17.645 3.774) 18.458 3.500 ( 2.641 6.455 -5.136) 8.661 3.629 ( -0.997 3.044 -7.572) 8.222 3.703 ( -1.089 7.177 -7.688) 10.574 3.828 ( -1.582 1.680 -4.796) 5.323 3.997 ( 1.574 -2.133 -0.366) 2.676 4.098 ( 1.485 6.514 -2.077) 6.997 4.235 ( -3.306 1.773 -4.304) 5.710 4.354 ( -1.897 -3.551 -0.168) 4.029 4.443 ( 3.137 2.968 1.904) 4.720 4.577 ( -2.483 -6.071 -0.484) 6.578 4.646 ( -1.968 -2.719 -4.348) 5.493 4.820 ( -3.684 2.359 -0.952) 4.477 4.940 ( 1.824 7.496 2.177) 8.016 5.205 ( 1.291 -7.187 -2.330) 7.665 5.382 ( 2.967 -2.694 10.744) 11.467 5.467 ( 5.592 3.832 -0.951) 6.846 5.617 ( 0.298 1.352 1.230) 1.852 5.657 ( -1.181 -0.984 -0.952) 1.809 5.996 ( -3.614 0.108 2.439) 4.361 6.066 ( 5.352 1.107 4.140) 6.856 6.398 ( 0.485 1.096 2.565) 2.832 6.623 ( 3.148 1.828 -2.785) 4.583 6.894 ( -0.392 1.919 1.278) 2.338 7.210 ( -0.104 -4.150 -3.284) 5.294 7.350 ( 3.342 0.301 -0.517) 3.395 7.641 ( 0.407 -8.631 -6.460) 10.789 7.996 ( 6.739 -10.502 3.682) 13.010 8.224 ( 0.134 -3.103 7.046) 7.700 8.822 ( -1.934 -9.172 -0.087) 9.375 9.107 ( -1.081 -1.625 0.046) 1.953 9.384 ( 1.147 5.725 -1.255) 5.972 9.607 ( -5.033 10.271 -10.064) 15.235 9.835 ( -3.772 -3.229 -4.801) 6.907 9.987 ( 4.938 -2.108 2.045) 5.746 10.100 ( -1.325 -6.192 6.193) 8.857 10.358 ( 1.003 -6.608 2.166) 7.026 10.743 ( -8.763 2.490 -9.446) 13.123 10.940 ( 13.451 1.623 13.917) 19.423 11.240 ( 4.840 0.090 2.414) 5.410 11.388 ( -1.032 -11.881 7.487) 14.081 11.444 ( 1.846 -2.227 -2.725) 3.974 11.587 ( -2.558 -1.548 0.919) 3.128 11.750 ( -0.925 4.055 0.070) 4.160 11.827 ( 3.619 3.465 -3.126) 5.906 11.836 ( -2.776 -1.812 -1.843) 3.793 12.130 ( -3.453 6.830 2.742) 8.130 12.327 ( -1.954 3.150 3.537) 5.124 12.732 ( 12.195 -10.130 9.477) 18.470 12.925 ( 2.634 -9.946 -1.332) 10.375 13.028 ( 5.223 -8.138 2.337) 9.948 13.563 ( 7.026 -4.482 0.284) 8.339 13.636 ( 0.170 1.636 1.704) 2.368 13.707 ( -8.571 -5.091 3.409) 10.536 13.944 ( 1.276 -6.910 -0.307) 7.034 14.004 ( 2.610 -3.213 -4.669) 6.240 14.125 ( 4.413 -6.339 -1.954) 7.967 14.310 ( -4.395 -0.555 -2.328) 5.005 14.468 ( -0.393 -2.924 0.074) 2.951 14.609 ( -4.487 -3.090 -3.583) 6.521 14.722 ( 0.324 6.426 3.722) 7.433 14.822 ( 1.639 -3.702 1.441) 4.298 14.996 ( -1.223 -1.445 1.368) 2.336 15.263 ( 4.409 2.063 -1.227) 5.020 15.353 ( 3.322 -1.202 2.036) 4.078 15.531 ( -1.512 -1.170 -3.640) 4.111 15.859 ( 0.416 0.303 0.615) 0.802 15.918 ( -2.094 0.644 0.867) 2.356 16.078 ( 0.847 3.471 -4.482) 5.732 16.267 ( -4.319 5.055 -4.289) 7.913 16.753 ( 10.931 -5.043 7.684) 14.282 17.067 ( -8.047 -10.644 -4.403) 14.051 17.203 ( -18.060 -8.618 -2.104) 20.121 17.713 ( -11.411 -2.536 3.385) 12.170 18.231 ( -2.439 6.996 -1.527) 7.564 18.611 ( 0.960 12.081 -0.019) 12.120 20.512 ( -0.475 16.139 2.680) 16.367 20.678 ( 7.615 12.159 -9.181) 17.032 21.299 ( 5.138 -8.492 1.165) 9.993 21.646 ( 0.659 2.149 0.485) 2.299 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -8.559 19.565 22.885) 31.302 1.052 ( -4.683 24.661 25.167) 35.546 1.540 ( -0.520 32.715 38.004) 50.148 1.890 ( 0.172 4.556 -19.606) 20.129 2.130 ( 1.524 8.473 -19.041) 20.896 2.451 ( 1.146 3.934 0.650) 4.149 2.563 ( 0.186 5.628 -6.292) 8.443 2.708 ( 3.384 4.431 1.873) 5.882 2.829 ( -2.591 -4.503 -1.649) 5.450 2.998 ( -3.919 7.854 -0.112) 8.778 3.178 ( 6.194 6.723 -1.584) 9.278 3.474 ( 2.889 8.489 -11.344) 14.460 3.552 ( 2.074 6.018 -16.393) 17.586 3.641 ( -3.629 1.169 3.075) 4.898 3.750 ( -6.978 4.323 -6.571) 10.515 3.959 ( -2.938 4.039 1.726) 5.284 4.159 ( 2.970 -2.378 -3.254) 5.007 4.216 ( -0.234 -2.322 -4.723) 5.269 4.360 ( 0.447 -2.482 -0.288) 2.538 4.434 ( 1.119 3.975 2.168) 4.664 4.593 ( -1.781 -4.851 -1.342) 5.339 4.649 ( 2.448 -0.234 -3.143) 3.991 4.741 ( -1.621 3.439 -3.633) 5.259 4.913 ( 3.377 6.699 -0.515) 7.519 5.265 ( -0.295 -4.368 -0.772) 4.446 5.369 ( -7.935 -0.595 18.039) 19.716 5.500 ( 3.065 4.998 0.832) 5.922 5.585 ( 3.671 1.216 0.305) 3.879 5.712 ( 1.441 -3.022 -0.758) 3.433 5.913 ( -7.906 -2.535 1.674) 8.470 6.115 ( -0.428 1.117 5.167) 5.304 6.393 ( 0.061 1.039 2.746) 2.937 6.580 ( -2.283 4.373 -3.289) 5.929 6.902 ( 1.370 -0.906 0.456) 1.705 7.225 ( -1.833 -2.934 -0.791) 3.549 7.371 ( 0.924 2.485 -0.322) 2.671 7.751 ( 3.100 -8.511 -6.937) 11.409 8.162 ( -0.655 -6.339 -2.832) 6.974 8.278 ( 1.327 -7.756 12.282) 14.587 8.926 ( 4.344 -7.459 -1.868) 8.832 9.065 ( -2.710 2.238 3.335) 4.845 9.345 ( -1.182 7.993 -10.046) 12.892 9.444 ( 1.597 7.660 -3.724) 8.666 9.831 ( -0.923 -4.077 -1.790) 4.548 10.045 ( 0.395 2.279 3.675) 4.343 10.158 ( -0.742 -6.820 4.712) 8.323 10.373 ( -3.872 -3.150 -1.633) 5.252 10.630 ( -3.170 -0.559 -3.284) 4.599 11.145 ( 8.023 0.579 0.680) 8.072 11.322 ( 4.833 -2.754 5.488) 7.814 11.456 ( -5.619 -12.149 9.988) 16.702 11.531 ( 3.048 -8.256 3.913) 9.631 11.558 ( -0.916 -0.028 -1.750) 1.976 11.683 ( 0.191 4.324 0.509) 4.358 11.814 ( -3.134 -0.397 -3.942) 5.052 11.865 ( 5.037 4.758 -2.997) 7.549 12.020 ( -1.187 4.885 2.077) 5.439 12.252 ( -2.080 5.619 1.804) 6.257 13.010 ( -3.916 -21.215 5.962) 22.382 13.068 ( 0.346 -9.760 1.769) 9.925 13.260 ( 12.364 -13.350 13.000) 22.363 13.541 ( -13.913 -2.825 6.562) 15.640 13.611 ( -4.935 0.393 0.158) 4.953 13.674 ( 0.199 -3.698 3.215) 4.904 13.998 ( 2.145 -1.565 0.501) 2.702 14.133 ( 3.693 -6.276 -2.621) 7.740 14.211 ( 0.793 -3.258 1.331) 3.608 14.239 ( -4.323 -1.274 -2.244) 5.034 14.394 ( -4.102 2.304 -4.313) 6.383 14.545 ( -3.918 1.414 3.629) 5.525 14.794 ( 8.581 -4.199 7.112) 11.910 14.919 ( 3.150 -5.428 -4.161) 7.530 14.974 ( -0.471 -0.102 0.956) 1.070 15.274 ( 2.216 7.336 -4.315) 8.795 15.443 ( -2.822 -7.614 0.158) 8.122 15.547 ( -0.872 -7.075 -1.016) 7.201 15.855 ( 0.293 -0.263 0.549) 0.676 15.898 ( 0.273 1.510 1.317) 2.022 16.068 ( 2.484 3.075 -0.681) 4.011 16.145 ( -0.610 12.274 -15.768) 19.991 16.795 ( -18.591 -2.223 0.503) 18.730 17.079 ( 7.662 -10.518 2.023) 13.169 17.314 ( 26.797 -9.631 11.527) 30.720 17.564 ( -9.188 -4.636 -2.220) 10.528 18.139 ( -0.261 6.569 -1.323) 6.706 18.489 ( 2.347 15.959 -2.729) 16.360 20.348 ( -0.583 13.822 1.314) 13.897 20.642 ( 6.721 20.829 -17.295) 27.895 21.434 ( -6.281 -10.864 4.597) 13.364 21.570 ( -4.618 4.077 -1.233) 6.283 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.453 0.000 -5.662) 5.680 1.970 ( 7.898 0.000 5.555) 9.656 2.050 ( 23.880 0.000 -0.788) 23.893 2.476 ( -0.757 -0.000 0.276) 0.806 2.504 ( 15.388 0.000 3.925) 15.881 2.710 ( 3.852 0.000 8.836) 9.639 2.777 ( 8.805 0.000 1.336) 8.905 2.968 ( 4.475 0.000 -13.147) 13.887 3.294 ( 8.233 0.000 -2.705) 8.666 3.305 ( -1.898 -0.000 -3.015) 3.563 3.319 ( 8.371 0.000 0.538) 8.388 3.455 ( 12.578 0.000 1.232) 12.638 3.623 ( 14.320 0.000 3.166) 14.666 3.645 ( -4.418 -0.000 4.642) 6.409 3.909 ( -3.207 -0.000 -5.507) 6.373 3.989 ( -2.615 -0.000 -0.982) 2.794 4.063 ( -1.542 -0.000 -4.794) 5.036 4.385 ( 8.803 0.000 2.578) 9.172 4.443 ( -2.760 -0.000 0.915) 2.907 4.496 ( -0.766 -0.000 2.811) 2.914 4.552 ( -0.236 -0.000 5.182) 5.187 4.784 ( -5.049 -0.000 1.656) 5.313 4.867 ( -6.705 -0.000 0.989) 6.777 4.890 ( 12.425 0.000 -6.704) 14.118 5.133 ( -1.471 -0.000 0.302) 1.502 5.203 ( 11.417 0.000 -4.628) 12.319 5.561 ( -6.283 -0.000 4.185) 7.550 5.576 ( 1.205 0.000 0.752) 1.420 5.616 ( 1.081 0.000 -3.088) 3.272 5.625 ( -0.606 -0.000 0.384) 0.717 5.835 ( 1.156 0.000 1.530) 1.918 6.252 ( -4.790 -0.000 -0.133) 4.792 6.383 ( -3.353 -0.000 -0.121) 3.355 6.765 ( -3.998 -0.000 4.366) 5.920 7.094 ( -6.158 -0.000 -0.365) 6.169 7.172 ( -3.353 -0.000 -7.473) 8.191 7.739 ( -9.682 -0.000 -0.108) 9.683 7.842 ( -7.204 -0.000 7.251) 10.221 8.002 ( 1.538 0.000 -2.366) 2.822 9.071 ( 2.215 0.000 0.107) 2.218 9.148 ( -5.252 -0.000 3.170) 6.134 9.218 ( -5.775 -0.000 -3.149) 6.578 9.521 ( -0.278 -0.000 0.988) 1.027 9.921 ( 2.414 0.000 1.317) 2.750 9.922 ( 4.801 0.000 -4.407) 6.518 10.079 ( -4.716 -0.000 1.908) 5.088 10.303 ( -0.009 -0.000 -1.503) 1.503 10.688 ( 0.799 0.000 8.429) 8.467 10.890 ( -1.586 -0.000 -5.164) 5.402 11.125 ( -0.059 -0.000 -3.068) 3.068 11.234 ( 0.093 0.000 0.015) 0.094 11.385 ( -2.750 -0.000 2.981) 4.055 11.547 ( -4.566 -0.000 -1.851) 4.927 11.826 ( 1.560 0.000 -1.397) 2.095 11.914 ( -5.454 -0.000 0.445) 5.473 12.033 ( 5.246 0.000 7.548) 9.192 12.133 ( 0.963 0.000 1.159) 1.507 12.418 ( 5.916 0.000 -0.294) 5.923 12.668 ( 4.144 0.000 -1.784) 4.512 12.810 ( -9.521 -0.000 -1.642) 9.662 12.949 ( -2.932 -0.000 0.824) 3.045 13.247 ( 0.502 0.000 0.914) 1.042 13.336 ( -11.972 -0.000 0.027) 11.972 13.678 ( -9.566 -0.000 0.904) 9.609 13.887 ( -7.627 -0.000 0.679) 7.657 13.891 ( -8.008 -0.000 -1.764) 8.200 13.992 ( -3.922 -0.000 -8.612) 9.463 14.192 ( 0.075 0.000 -2.174) 2.176 14.430 ( 5.869 0.000 0.404) 5.883 14.691 ( 6.575 0.000 2.224) 6.941 14.812 ( -8.655 -0.000 10.730) 13.785 14.893 ( 0.059 0.000 1.026) 1.027 15.061 ( 0.029 0.000 -8.534) 8.534 15.178 ( 5.524 0.000 5.810) 8.017 15.310 ( -2.837 -0.000 0.503) 2.881 15.540 ( 6.064 0.000 -6.974) 9.241 15.665 ( -4.438 -0.000 0.470) 4.463 16.080 ( 3.990 0.000 2.987) 4.984 16.259 ( 5.124 0.000 -2.572) 5.734 16.276 ( 1.353 0.000 -2.483) 2.828 16.796 ( 0.988 0.000 8.069) 8.130 17.338 ( -6.044 -0.000 -8.757) 10.640 17.932 ( -5.492 -0.000 -0.256) 5.498 18.074 ( -1.038 -0.000 0.464) 1.137 18.244 ( 12.464 0.000 3.579) 12.968 18.776 ( -4.151 -0.000 -1.692) 4.483 20.405 ( 5.666 0.000 0.794) 5.722 20.413 ( 5.859 0.000 -0.790) 5.912 21.081 ( 1.805 0.000 -1.288) 2.217 21.557 ( -0.788 -0.000 1.929) 2.084 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.263 -0.417 -5.738) 5.759 2.064 ( 4.719 2.736 6.121) 8.199 2.341 ( 9.025 -0.897 -3.781) 9.826 2.471 ( 1.438 -1.018 0.634) 1.872 2.668 ( 5.423 2.606 4.594) 7.570 2.815 ( 5.402 3.582 8.553) 10.732 2.879 ( 6.320 -2.611 4.896) 8.410 3.054 ( 6.252 0.881 -14.606) 15.912 3.269 ( 3.309 4.918 -0.129) 5.929 3.365 ( -3.709 -1.514 -1.572) 4.303 3.489 ( 4.310 -1.329 -1.499) 4.753 3.584 ( 2.670 1.047 1.825) 3.399 3.617 ( 2.200 -0.417 3.067) 3.797 3.757 ( 10.722 0.411 0.127) 10.730 3.884 ( -1.411 -2.896 -2.180) 3.890 3.979 ( 0.366 -0.652 -4.879) 4.936 4.054 ( -2.028 -2.414 -1.075) 3.331 4.303 ( -8.419 0.293 -4.481) 9.542 4.418 ( -2.186 -1.756 3.208) 4.261 4.528 ( -0.810 -2.931 1.280) 3.300 4.641 ( -0.652 -0.048 7.280) 7.310 4.705 ( 0.678 -0.289 0.380) 0.829 4.760 ( -5.178 -4.127 0.609) 6.649 5.080 ( 3.081 6.021 0.568) 6.788 5.205 ( 13.270 -1.928 1.202) 13.464 5.358 ( 10.790 1.313 -5.276) 12.082 5.457 ( -4.996 0.381 3.725) 6.243 5.620 ( 0.000 2.459 -2.696) 3.649 5.660 ( 7.689 0.106 2.167) 7.989 5.672 ( 3.052 -1.707 -2.390) 4.236 5.854 ( 3.035 1.745 -0.651) 3.561 6.196 ( -2.418 -2.585 -3.023) 4.655 6.368 ( -0.200 -3.300 2.003) 3.865 6.726 ( -0.140 0.090 5.463) 5.465 6.988 ( -7.537 -1.870 -0.607) 7.789 7.076 ( -6.236 1.830 -4.254) 7.768 7.580 ( -7.666 1.642 -0.236) 7.844 7.772 ( -1.968 -0.559 2.616) 3.321 8.023 ( 1.433 0.776 -0.819) 1.824 9.028 ( -8.728 0.417 4.195) 9.693 9.087 ( -2.319 1.096 -2.535) 3.606 9.143 ( -1.651 -3.483 -1.981) 4.334 9.530 ( 1.906 0.234 3.943) 4.386 9.963 ( 2.845 0.775 -1.615) 3.362 10.009 ( 0.543 -1.201 -1.162) 1.757 10.031 ( 2.714 -0.096 -1.536) 3.120 10.307 ( 0.484 0.605 0.320) 0.839 10.636 ( -4.455 2.294 2.385) 5.549 10.908 ( 2.391 -0.224 2.898) 3.764 11.142 ( 1.496 -0.953 -2.562) 3.116 11.253 ( 2.656 2.072 0.305) 3.382 11.361 ( -0.741 -1.652 2.730) 3.275 11.468 ( -4.893 -0.356 -3.559) 6.061 11.775 ( -2.440 4.857 -1.070) 5.540 11.901 ( -1.162 -5.957 -1.700) 6.302 12.128 ( 1.783 0.473 -1.359) 2.291 12.140 ( 1.144 -1.697 4.041) 4.530 12.458 ( -0.482 -1.451 0.241) 1.548 12.644 ( -7.618 3.284 1.680) 8.464 12.726 ( 5.147 3.804 2.428) 6.845 12.967 ( 4.796 3.406 0.691) 5.923 13.113 ( -13.299 -2.440 -1.147) 13.569 13.259 ( 1.866 1.171 -1.665) 2.762 13.474 ( -10.737 6.591 -0.376) 12.604 13.723 ( -11.122 -4.574 -5.133) 13.076 13.791 ( -4.473 -1.040 0.029) 4.592 13.983 ( -0.859 -3.112 -4.051) 5.180 14.185 ( -0.941 1.096 -1.041) 1.780 14.547 ( 7.260 1.350 4.176) 8.483 14.712 ( -4.151 -3.423 6.860) 8.718 14.793 ( 4.700 0.510 5.517) 7.265 14.894 ( -1.589 -1.485 0.505) 2.233 15.073 ( 2.123 0.002 -10.353) 10.569 15.200 ( -8.523 -0.677 -5.907) 10.392 15.282 ( 7.335 1.301 6.629) 9.971 15.628 ( 3.492 -0.571 -0.219) 3.545 15.650 ( 2.605 2.052 -0.082) 3.317 16.139 ( 3.305 0.176 4.132) 5.294 16.269 ( -2.603 -1.008 -3.347) 4.358 16.321 ( 1.873 0.199 -2.896) 3.454 16.793 ( -3.055 -3.051 6.375) 7.699 17.198 ( -8.666 2.803 -6.310) 11.080 17.819 ( -7.299 0.592 -2.301) 7.676 18.043 ( -0.732 2.544 2.674) 3.763 18.432 ( 6.977 -3.169 3.203) 8.305 18.717 ( -1.840 0.690 -1.959) 2.775 20.510 ( 5.379 -1.489 0.310) 5.590 20.520 ( 6.494 -0.592 -0.254) 6.526 21.116 ( 2.486 0.437 -1.136) 2.768 21.558 ( 1.519 0.883 1.272) 2.170 ======================= Grid point 129 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.040 0.015 -5.001) 5.002 2.079 ( 1.470 4.308 5.503) 7.141 2.407 ( -0.249 -1.573 0.604) 1.703 2.512 ( 1.394 -0.082 0.764) 1.592 2.696 ( 2.011 3.599 -0.971) 4.236 2.801 ( -1.054 3.767 0.931) 4.021 2.981 ( 4.563 4.884 5.496) 8.654 3.080 ( -0.262 5.890 -6.274) 8.610 3.207 ( -11.880 0.672 -3.416) 12.380 3.332 ( 6.974 1.660 0.322) 7.176 3.559 ( 2.245 -1.495 2.307) 3.550 3.579 ( 3.817 -0.285 -3.908) 5.470 3.640 ( -1.568 4.453 -0.528) 4.750 3.905 ( -1.106 -3.474 -1.949) 4.134 3.957 ( 7.602 2.029 -2.084) 8.139 3.988 ( 3.747 -0.117 6.390) 7.408 4.106 ( 6.994 -4.763 3.291) 9.079 4.223 ( -3.166 -4.229 -7.152) 8.892 4.413 ( -0.024 -0.328 7.038) 7.046 4.490 ( -6.495 0.454 -4.143) 7.718 4.566 ( -3.897 -3.749 1.247) 5.550 4.700 ( -1.545 -1.220 1.458) 2.450 4.846 ( 1.339 -9.791 -1.955) 10.073 5.038 ( -1.230 4.444 1.124) 4.746 5.300 ( -5.516 3.366 5.987) 8.809 5.340 ( 0.737 2.203 4.001) 4.626 5.533 ( 6.211 3.378 -4.446) 8.352 5.540 ( -2.750 5.537 -1.033) 6.268 5.692 ( -3.068 0.902 -1.859) 3.699 5.869 ( 15.849 0.108 -9.248) 18.350 5.953 ( 13.140 2.950 5.242) 14.451 6.242 ( 2.351 -5.141 -3.444) 6.619 6.421 ( 2.205 -2.743 3.116) 4.701 6.763 ( 2.072 -1.407 5.175) 5.749 6.909 ( -4.310 -5.182 -0.084) 6.741 6.967 ( -3.661 1.179 -3.193) 4.999 7.470 ( -4.206 0.339 -0.415) 4.240 7.776 ( 1.004 -0.841 0.234) 1.330 8.033 ( 0.867 0.739 0.306) 1.180 8.870 ( -10.245 -0.984 4.581) 11.265 9.013 ( -5.782 -2.708 -2.997) 7.053 9.212 ( 5.708 -1.370 -1.741) 6.123 9.587 ( 4.093 -0.859 3.382) 5.378 9.973 ( -0.121 1.125 1.615) 1.972 10.015 ( -0.422 -2.571 -3.057) 4.017 10.102 ( 3.229 0.769 -7.224) 7.950 10.295 ( -0.410 2.672 4.008) 4.834 10.544 ( -2.930 2.223 3.428) 5.028 10.943 ( 1.201 -0.077 5.606) 5.734 11.182 ( 2.331 -0.574 -1.260) 2.711 11.264 ( 1.646 2.644 2.723) 4.137 11.374 ( -2.937 0.116 -5.294) 6.056 11.421 ( -0.115 -4.722 0.307) 4.733 11.718 ( 0.799 2.887 -3.290) 4.449 11.925 ( -2.321 -3.441 -3.957) 5.734 12.085 ( -3.279 1.152 -3.283) 4.781 12.162 ( -1.392 -0.687 0.114) 1.556 12.467 ( -1.928 0.378 4.174) 4.613 12.542 ( -1.497 -1.275 7.726) 7.972 12.704 ( -1.329 7.168 2.073) 7.579 12.975 ( 0.717 -1.831 -2.854) 3.466 13.063 ( 2.292 2.043 -0.431) 3.101 13.259 ( -4.889 2.865 -1.425) 5.843 13.315 ( 5.940 0.164 -1.245) 6.072 13.641 ( -6.185 -7.721 -2.373) 10.173 13.754 ( -2.500 -2.869 -0.413) 3.827 14.004 ( -1.303 -4.593 -4.003) 6.230 14.125 ( -4.649 1.684 0.940) 5.033 14.588 ( -0.766 0.364 5.929) 5.990 14.740 ( 2.292 -0.467 4.277) 4.875 14.817 ( -3.010 -0.033 0.553) 3.061 14.888 ( 1.511 -0.192 1.724) 2.301 15.111 ( -3.542 -4.944 -8.230) 10.233 15.125 ( 5.142 1.532 -6.871) 8.717 15.380 ( 6.418 4.309 6.852) 10.330 15.652 ( 1.200 0.655 9.655) 9.752 15.684 ( 2.262 1.792 -8.668) 9.135 16.181 ( -0.542 0.427 3.626) 3.691 16.226 ( -1.463 -2.258 -0.488) 2.734 16.306 ( -2.430 1.322 -4.107) 4.952 16.772 ( -5.281 -6.551 3.611) 9.157 17.001 ( -11.236 2.728 -3.832) 12.181 17.682 ( -9.390 -0.891 -3.856) 10.190 18.004 ( -1.321 2.167 3.680) 4.470 18.521 ( 0.486 -1.906 1.697) 2.598 18.713 ( 2.822 1.459 -1.087) 3.358 20.603 ( 4.735 -0.434 -0.536) 4.785 20.634 ( 6.644 -0.262 0.702) 6.686 21.144 ( 1.926 1.599 -0.908) 2.663 21.592 ( 4.225 2.054 0.854) 4.775 ======================= Grid point 130 (54/117) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.794 2.939 -4.781) 5.668 2.051 ( 0.832 4.919 5.574) 7.480 2.379 ( -5.319 -2.621 4.390) 7.377 2.512 ( 1.090 5.184 -0.950) 5.382 2.650 ( -1.891 9.207 -0.647) 9.421 2.727 ( -0.964 5.509 -0.712) 5.638 2.915 ( -4.088 6.632 2.106) 8.070 2.965 ( -8.389 1.877 -7.354) 11.313 3.051 ( -1.874 2.403 -2.796) 4.136 3.432 ( 6.410 1.414 3.116) 7.266 3.518 ( -7.248 2.577 -3.340) 8.386 3.593 ( 3.982 2.720 -1.788) 5.143 3.713 ( 7.345 0.490 -0.063) 7.361 3.876 ( -1.326 0.418 0.638) 1.529 4.004 ( 2.059 -1.685 2.352) 3.551 4.090 ( 0.327 -1.224 1.189) 1.738 4.226 ( 3.122 5.685 -1.235) 6.603 4.278 ( 5.223 -4.481 -4.436) 8.187 4.355 ( -3.856 0.244 7.762) 8.670 4.489 ( 3.345 -2.285 3.384) 5.278 4.563 ( -2.899 -5.868 -2.337) 6.950 4.700 ( 0.047 -3.011 0.557) 3.062 4.874 ( -6.009 1.744 0.617) 6.288 4.962 ( -4.303 2.287 1.572) 5.120 5.136 ( -4.365 -1.020 -0.529) 4.514 5.335 ( 0.846 6.385 -1.126) 6.538 5.450 ( -3.368 3.919 -1.034) 5.270 5.585 ( -1.345 4.016 -4.658) 6.296 5.624 ( 6.116 0.897 2.683) 6.739 6.014 ( 6.709 2.287 -1.928) 7.345 6.188 ( 11.771 4.401 1.836) 12.700 6.306 ( 1.381 -2.754 -4.146) 5.165 6.492 ( 3.614 -1.198 3.763) 5.353 6.806 ( 0.304 -5.819 1.533) 6.025 6.951 ( -0.412 -6.582 0.217) 6.598 6.980 ( 6.556 -0.330 -2.010) 6.865 7.432 ( -1.279 -1.373 -0.948) 2.102 7.799 ( 0.674 -0.038 0.624) 0.919 8.052 ( 1.680 -1.114 1.377) 2.441 8.729 ( -9.195 -3.385 4.266) 10.687 8.962 ( -4.618 -4.947 -2.554) 7.234 9.342 ( 8.088 -0.964 -1.621) 8.305 9.670 ( 3.889 -1.589 1.593) 4.493 9.950 ( -2.354 0.517 -0.039) 2.411 10.019 ( -2.221 -3.541 -2.025) 4.645 10.097 ( -1.157 3.748 -11.404) 12.060 10.242 ( -1.476 3.838 7.024) 8.139 10.537 ( 2.466 -1.772 7.909) 8.472 10.967 ( 1.114 -1.869 5.468) 5.885 11.226 ( 0.793 -0.405 -1.272) 1.553 11.259 ( -3.767 2.233 -3.335) 5.505 11.278 ( -1.283 0.111 2.656) 2.952 11.501 ( 2.623 -4.159 -1.173) 5.055 11.751 ( 6.261 2.457 -4.921) 8.334 11.880 ( -5.224 -1.107 -3.431) 6.347 12.024 ( -1.430 2.038 -1.310) 2.813 12.154 ( -0.809 -2.295 -0.652) 2.519 12.419 ( -2.371 -0.086 2.306) 3.309 12.538 ( -2.036 -1.012 5.010) 5.502 12.630 ( -0.208 3.863 1.316) 4.086 12.958 ( -1.975 8.005 -4.136) 9.225 13.100 ( 6.921 -5.125 1.008) 8.671 13.357 ( 9.155 -6.625 -0.622) 11.318 13.443 ( 7.488 -2.669 2.486) 8.329 13.668 ( -0.672 -9.462 -1.376) 9.585 13.762 ( -1.279 -4.739 0.086) 4.909 13.990 ( -6.935 -0.371 -1.053) 7.024 14.039 ( -2.547 -3.815 -1.251) 4.754 14.549 ( -4.079 -0.176 1.708) 4.426 14.715 ( -2.214 3.029 -2.644) 4.590 14.775 ( -3.354 -2.539 2.032) 4.672 14.918 ( 2.572 2.311 1.666) 3.838 15.169 ( 3.300 -4.548 -3.673) 6.713 15.194 ( 5.970 4.102 -3.315) 7.966 15.377 ( -0.061 6.764 6.537) 9.406 15.666 ( -1.107 2.004 -0.894) 2.458 15.709 ( 5.377 -0.241 1.588) 5.612 16.110 ( -4.836 0.650 -1.319) 5.054 16.203 ( -4.981 2.957 2.038) 6.140 16.304 ( 1.817 -5.836 -1.125) 6.215 16.734 ( -7.229 0.031 -1.429) 7.369 16.802 ( -11.130 -7.385 1.203) 13.411 17.519 ( -12.255 -2.497 -5.022) 13.477 17.953 ( -3.034 1.622 3.740) 5.082 18.504 ( -2.416 0.855 -0.583) 2.628 18.761 ( 4.446 2.500 0.821) 5.166 20.677 ( 4.454 0.555 -0.983) 4.595 20.745 ( 6.778 0.572 1.383) 6.942 21.141 ( 0.632 3.214 -0.831) 3.379 21.651 ( 5.707 3.313 0.553) 6.622 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.516 8.590 -2.209) 9.219 2.014 ( 0.776 6.513 4.803) 8.130 2.288 ( -6.076 5.505 7.303) 10.980 2.408 ( -3.602 11.877 1.016) 12.453 2.487 ( -2.508 6.217 -4.698) 8.186 2.674 ( 0.003 4.949 -1.652) 5.217 2.797 ( -4.542 3.144 -6.117) 8.242 2.849 ( -1.809 1.117 -4.207) 4.713 3.025 ( -1.069 3.477 3.656) 5.158 3.321 ( -10.328 4.854 -3.731) 12.006 3.534 ( 4.549 -0.586 5.379) 7.069 3.624 ( 3.570 3.743 -1.398) 5.358 3.771 ( 3.392 6.839 1.264) 7.738 3.826 ( -1.424 6.947 -1.866) 7.332 3.982 ( -4.832 3.041 -0.907) 5.781 4.118 ( 3.641 -3.015 1.449) 4.944 4.149 ( -1.584 5.607 -7.072) 9.164 4.330 ( 0.239 3.340 9.351) 9.932 4.421 ( 5.700 -0.709 0.135) 5.746 4.478 ( -1.380 1.920 2.863) 3.713 4.561 ( -3.506 -1.751 -2.269) 4.528 4.707 ( -6.548 5.707 -1.226) 8.773 4.791 ( -2.711 -4.030 2.648) 5.532 4.883 ( 2.022 -5.517 -3.473) 6.825 5.104 ( -6.154 -1.062 -1.712) 6.475 5.320 ( 3.763 -3.356 -0.609) 5.079 5.385 ( 1.905 5.934 -2.830) 6.845 5.546 ( 2.723 4.358 -0.528) 5.166 5.732 ( 4.408 0.105 1.585) 4.685 6.076 ( 3.257 1.643 2.889) 4.653 6.195 ( 0.904 8.471 1.132) 8.594 6.385 ( 2.785 -1.793 -1.894) 3.815 6.563 ( 4.765 0.283 0.364) 4.787 6.895 ( 2.389 -5.354 1.095) 5.965 7.039 ( 1.909 -7.762 -1.840) 8.202 7.099 ( 5.351 -2.922 -0.713) 6.138 7.444 ( 0.130 -2.470 -2.500) 3.517 7.803 ( 0.227 -0.310 1.868) 1.908 8.108 ( 2.011 -2.842 3.168) 4.707 8.648 ( -6.219 -6.102 3.442) 9.368 8.962 ( -2.195 -6.769 -2.645) 7.591 9.464 ( 5.556 0.960 -1.394) 5.808 9.741 ( 1.602 -3.055 0.004) 3.450 9.884 ( -3.545 0.355 0.165) 3.567 9.978 ( -5.327 5.567 -11.889) 14.168 10.029 ( -1.401 -3.148 0.764) 3.530 10.212 ( 0.412 0.724 7.211) 7.259 10.648 ( 5.164 -5.692 7.747) 10.912 11.021 ( -1.762 -2.656 -0.945) 3.325 11.086 ( -5.093 0.172 3.036) 5.932 11.259 ( 1.474 1.602 2.754) 3.510 11.334 ( 4.107 -1.589 -1.042) 4.525 11.567 ( 1.111 -2.509 -2.144) 3.482 11.789 ( -3.596 1.138 -1.987) 4.263 11.853 ( 6.908 2.306 -3.406) 8.040 11.993 ( 0.510 4.145 0.658) 4.228 12.171 ( -1.030 -3.488 1.432) 3.909 12.393 ( -1.550 -1.797 -2.219) 3.249 12.523 ( -0.024 0.889 3.335) 3.451 12.638 ( 2.477 -2.706 -1.262) 3.880 12.881 ( 0.683 4.019 -1.119) 4.227 13.286 ( 7.796 -5.921 -0.788) 9.822 13.562 ( 7.438 -3.190 1.920) 8.318 13.606 ( 5.361 -8.032 0.631) 9.678 13.740 ( -5.735 -5.809 0.464) 8.176 13.823 ( 3.654 -4.866 1.717) 6.322 13.913 ( -0.916 -6.873 0.896) 6.992 14.073 ( 0.646 -7.027 -3.262) 7.774 14.462 ( -5.226 1.393 -2.418) 5.925 14.651 ( -4.120 -0.168 -4.062) 5.788 14.743 ( -3.148 -2.413 1.536) 4.253 14.924 ( 2.770 5.561 0.749) 6.257 15.157 ( -2.831 8.394 4.102) 9.762 15.264 ( 4.010 -0.105 -1.811) 4.401 15.348 ( 3.684 2.615 2.928) 5.383 15.609 ( -2.253 2.812 -1.965) 4.104 15.820 ( 6.696 0.264 1.465) 6.860 16.018 ( -4.556 2.653 -0.910) 5.350 16.098 ( -5.233 -2.021 -0.260) 5.616 16.405 ( 3.139 -4.116 -0.047) 5.177 16.539 ( -10.843 -0.135 -0.154) 10.845 16.797 ( -4.874 -11.977 1.630) 13.033 17.319 ( -15.129 -3.282 -5.244) 16.345 17.866 ( -5.785 1.805 2.955) 6.742 18.440 ( -2.400 3.586 -1.651) 4.620 18.796 ( 3.554 4.215 1.651) 5.755 20.739 ( 4.067 1.186 -1.377) 4.454 20.839 ( 6.617 4.111 2.047) 8.055 21.112 ( -0.238 1.860 -0.957) 2.105 21.706 ( 5.270 4.420 0.199) 6.881 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -5.767 14.290 3.841) 15.881 1.904 ( -0.814 19.874 10.938) 22.700 2.085 ( -2.207 11.423 -1.370) 11.714 2.298 ( -1.572 5.019 -3.844) 6.515 2.421 ( -1.530 3.627 -4.468) 5.954 2.627 ( -0.101 4.129 0.905) 4.229 2.699 ( -4.381 7.643 0.607) 8.830 2.797 ( -7.597 6.303 3.243) 10.391 2.855 ( -0.347 6.665 -3.797) 7.678 3.191 ( -0.010 4.028 -0.409) 4.049 3.544 ( -1.696 6.341 5.470) 8.544 3.643 ( 0.921 12.677 -5.528) 13.861 3.654 ( 3.397 2.629 1.680) 4.612 3.816 ( 1.378 3.096 -5.299) 6.290 3.897 ( 0.748 4.436 1.082) 4.627 4.056 ( -3.092 6.859 -9.515) 12.130 4.184 ( 2.812 1.894 3.835) 5.118 4.286 ( -2.993 -1.503 0.153) 3.353 4.387 ( -8.735 12.241 -8.833) 17.441 4.447 ( -1.552 -1.876 1.045) 2.649 4.531 ( 6.291 0.460 3.425) 7.178 4.577 ( -2.232 -1.960 -2.188) 3.689 4.811 ( -1.907 -3.662 3.675) 5.527 4.996 ( -0.586 -4.336 -0.207) 4.380 5.062 ( 0.947 -5.803 -2.982) 6.593 5.376 ( 2.444 3.478 0.451) 4.275 5.464 ( 3.716 -8.830 0.429) 9.590 5.573 ( 5.869 5.151 -0.263) 7.813 5.735 ( -1.852 3.785 -0.026) 4.214 6.070 ( -2.712 3.167 8.990) 9.910 6.138 ( 3.558 7.249 -2.479) 8.447 6.411 ( 0.093 0.025 2.545) 2.547 6.645 ( 4.820 0.365 -3.252) 5.826 6.935 ( -0.662 0.997 3.232) 3.447 7.133 ( 1.836 -3.359 -5.098) 6.375 7.253 ( 4.565 -12.487 -0.326) 13.299 7.466 ( -1.517 -3.933 -4.130) 5.901 7.842 ( 2.283 -4.375 3.061) 5.808 8.160 ( 0.138 -3.180 5.113) 6.023 8.649 ( -2.155 -8.006 2.903) 8.785 9.019 ( 0.485 -6.913 -3.601) 7.810 9.488 ( 1.163 4.299 -1.352) 4.655 9.716 ( -7.609 -1.931 -1.746) 8.042 9.827 ( -3.580 5.443 -12.383) 13.992 9.923 ( 5.333 -3.090 4.400) 7.573 10.040 ( -0.734 -2.196 3.766) 4.421 10.239 ( 0.468 -3.454 6.533) 7.404 10.740 ( -5.038 -4.103 -5.629) 8.596 10.953 ( 4.981 1.335 8.539) 9.975 11.164 ( 0.592 -9.152 7.095) 11.596 11.268 ( 1.551 1.532 1.592) 2.700 11.407 ( 2.282 -1.643 -1.591) 3.231 11.586 ( -0.173 -0.205 -3.645) 3.654 11.737 ( -1.906 -1.300 -0.757) 2.429 11.910 ( 0.418 5.940 -1.393) 6.116 11.955 ( 6.195 7.753 -1.990) 10.122 12.186 ( -0.443 -1.256 7.280) 7.401 12.380 ( -3.227 -0.275 0.992) 3.387 12.536 ( 0.744 -4.985 -5.012) 7.108 12.756 ( 4.572 -7.643 -0.962) 8.957 12.911 ( 3.860 -2.649 3.366) 5.766 13.461 ( 6.001 -5.906 -1.073) 8.488 13.621 ( -7.727 -3.065 1.660) 8.477 13.670 ( 1.130 0.105 -0.121) 1.141 13.765 ( 2.513 -9.236 -0.121) 9.572 13.909 ( 0.869 -7.333 0.770) 7.424 14.039 ( 6.088 -2.048 -3.721) 7.423 14.223 ( 1.375 -12.425 2.851) 12.822 14.381 ( -0.996 -0.602 -3.416) 3.609 14.557 ( -8.073 -1.064 -3.996) 9.070 14.727 ( -2.914 -4.304 3.092) 6.048 14.903 ( 3.817 8.913 -1.218) 9.772 15.038 ( -1.123 5.515 4.856) 7.433 15.295 ( 1.608 2.671 -0.519) 3.161 15.388 ( 2.766 2.398 2.345) 4.348 15.548 ( -1.836 2.218 -3.017) 4.170 15.866 ( -1.854 0.169 1.757) 2.560 15.944 ( -0.237 2.360 -1.705) 2.921 16.101 ( 3.026 -1.648 -1.770) 3.874 16.312 ( -8.898 1.489 -1.493) 9.145 16.603 ( 6.413 -9.710 2.848) 11.980 16.847 ( -4.870 -11.552 -0.942) 12.572 17.100 ( -11.996 -2.148 -1.150) 12.241 17.730 ( -7.506 3.067 1.074) 8.179 18.358 ( -1.670 5.699 -1.966) 6.256 18.790 ( 1.927 6.548 1.822) 7.065 20.767 ( 1.193 5.048 0.988) 5.280 20.858 ( 5.612 10.170 -2.457) 11.873 21.138 ( 1.027 -6.356 0.760) 6.483 21.728 ( 2.756 5.212 -0.610) 5.928 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -5.332 20.534 10.439) 23.644 1.595 ( -9.018 27.327 13.185) 31.653 2.007 ( 2.046 6.820 -10.070) 12.333 2.158 ( 1.045 19.437 13.567) 23.727 2.329 ( 4.998 13.349 -7.892) 16.293 2.559 ( 0.170 3.401 2.641) 4.309 2.597 ( 2.786 7.368 1.816) 8.084 2.729 ( -2.318 -2.112 1.180) 3.351 2.853 ( 4.763 5.700 -7.160) 10.317 3.117 ( -4.972 4.860 -3.233) 7.668 3.419 ( 2.008 14.406 3.911) 15.062 3.586 ( 0.993 3.999 -4.027) 5.761 3.647 ( -1.837 3.327 1.165) 3.975 3.755 ( 0.573 9.451 -18.137) 20.460 3.861 ( 0.130 6.080 -1.170) 6.193 3.992 ( 0.383 0.354 0.776) 0.935 4.152 ( -4.625 1.388 -2.073) 5.255 4.219 ( -0.794 3.349 -4.367) 5.560 4.305 ( 3.933 -1.933 -2.490) 5.041 4.454 ( -0.267 -2.894 -2.384) 3.759 4.563 ( 0.730 2.395 1.298) 2.820 4.639 ( 4.568 -0.700 1.917) 5.003 4.784 ( -2.567 0.296 -1.289) 2.888 4.996 ( -0.817 -0.652 3.059) 3.233 5.152 ( 0.980 -5.779 -4.096) 7.151 5.368 ( -3.116 0.930 7.930) 8.571 5.559 ( -3.460 -6.960 -1.030) 7.841 5.625 ( 4.309 4.157 0.669) 6.025 5.643 ( 0.454 4.315 -2.708) 5.114 5.976 ( -3.107 5.243 7.203) 9.435 6.135 ( 1.356 2.809 1.686) 3.545 6.411 ( 0.176 0.472 3.765) 3.799 6.671 ( -0.097 3.787 -3.930) 5.458 6.896 ( -1.494 0.729 3.291) 3.687 7.172 ( 0.135 -2.256 -3.823) 4.442 7.405 ( 2.658 0.116 -2.134) 3.410 7.508 ( -2.090 -15.825 -4.907) 16.699 7.963 ( 2.343 -10.116 2.028) 10.580 8.176 ( -2.104 -3.175 7.848) 8.724 8.742 ( 2.828 -9.671 2.488) 10.378 9.079 ( -0.201 -2.778 -3.890) 4.784 9.455 ( 0.241 4.061 -4.932) 6.394 9.585 ( -3.763 4.697 -2.039) 6.354 9.770 ( -0.299 -0.718 -6.404) 6.451 10.038 ( -0.977 -2.730 5.966) 6.633 10.066 ( 4.423 -3.497 2.429) 6.139 10.286 ( 0.410 -3.583 5.188) 6.318 10.629 ( -6.260 0.387 -7.566) 9.828 11.127 ( 9.381 -3.996 12.913) 16.454 11.202 ( -6.490 -7.220 4.627) 10.754 11.294 ( 0.839 -2.487 2.368) 3.535 11.456 ( 2.410 -1.969 0.745) 3.200 11.572 ( -0.307 1.105 -4.971) 5.102 11.747 ( -0.955 -4.023 -2.384) 4.773 11.823 ( 0.960 8.804 -0.450) 8.868 11.990 ( 4.752 7.542 -4.023) 9.780 12.157 ( -0.546 5.971 5.387) 8.060 12.313 ( -3.121 0.729 6.871) 7.582 12.624 ( -3.500 -14.656 -3.943) 15.575 12.889 ( 0.269 -8.323 -0.045) 8.328 13.049 ( 4.199 -9.600 7.304) 12.773 13.518 ( -6.292 -1.232 1.703) 6.634 13.587 ( 2.833 -4.224 0.978) 5.179 13.643 ( -3.334 1.108 -1.526) 3.830 13.891 ( 1.504 -8.360 1.777) 8.678 14.016 ( 2.915 -7.838 -4.847) 9.665 14.133 ( 1.744 -2.826 -3.792) 5.041 14.234 ( -1.571 -0.725 -0.300) 1.756 14.405 ( -5.375 0.398 -4.264) 6.873 14.496 ( -0.110 -7.094 3.879) 8.086 14.742 ( -0.671 -4.581 4.380) 6.373 14.891 ( 3.465 4.611 -3.408) 6.699 15.017 ( 2.844 4.371 5.137) 7.320 15.301 ( 0.409 -2.320 -1.025) 2.569 15.383 ( -0.299 2.655 0.430) 2.706 15.494 ( -2.904 1.188 -2.750) 4.172 15.843 ( 0.104 -0.796 1.209) 1.451 15.931 ( 1.181 2.364 0.123) 2.645 16.144 ( 1.084 4.218 -0.797) 4.427 16.224 ( 0.140 -1.842 -7.655) 7.874 16.715 ( -14.660 -6.414 2.462) 16.190 16.865 ( 8.042 -10.496 -3.473) 13.672 17.144 ( 10.982 -7.587 7.522) 15.321 17.584 ( -3.614 5.016 -1.452) 6.351 18.276 ( -0.483 6.777 -1.908) 7.057 18.730 ( 0.359 9.124 1.369) 9.233 20.651 ( -1.846 14.156 2.392) 14.475 20.876 ( 5.482 6.268 -8.922) 12.204 21.222 ( -3.093 -9.831 3.919) 11.026 21.680 ( -1.569 6.453 -1.652) 6.844 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.927 17.777 14.380) 23.621 1.225 ( 2.007 24.007 18.517) 30.385 1.975 ( 2.183 6.806 -10.973) 13.096 2.110 ( 14.403 21.817 4.988) 26.614 2.302 ( 9.710 14.038 -4.028) 17.538 2.547 ( 3.039 5.740 2.562) 6.982 2.585 ( 4.703 6.355 -1.915) 8.135 2.722 ( -1.268 -2.624 4.425) 5.299 2.830 ( -0.985 8.425 -4.012) 9.383 3.012 ( 0.855 3.538 0.249) 3.649 3.349 ( 3.076 10.177 1.098) 10.688 3.510 ( -8.298 4.091 -1.308) 9.344 3.568 ( 0.413 3.146 -3.531) 4.747 3.737 ( 9.571 8.920 -19.664) 23.619 3.778 ( -0.564 8.588 0.408) 8.616 3.970 ( -0.416 3.111 2.835) 4.230 4.097 ( -3.992 -4.757 -3.886) 7.326 4.214 ( 1.363 0.601 -5.148) 5.359 4.412 ( 4.709 -1.049 1.112) 4.951 4.500 ( 4.100 0.194 -2.788) 4.962 4.546 ( 0.116 -0.523 -0.797) 0.961 4.704 ( 3.310 -0.264 -2.914) 4.417 4.757 ( 0.631 2.441 -0.930) 2.688 4.980 ( -1.168 0.867 2.112) 2.565 5.176 ( -6.449 -3.102 0.937) 7.218 5.263 ( -3.105 0.615 9.711) 10.214 5.533 ( -4.002 -4.122 -0.186) 5.748 5.616 ( -1.076 -0.782 -0.003) 1.330 5.691 ( 3.045 -0.341 -2.094) 3.711 5.871 ( -2.358 6.970 4.987) 8.889 6.108 ( -2.327 2.461 3.784) 5.078 6.407 ( -0.064 1.002 3.454) 3.597 6.593 ( -2.111 5.149 -3.141) 6.390 6.884 ( -1.429 -2.039 1.818) 3.083 7.182 ( -0.770 -1.296 -3.722) 4.016 7.386 ( -2.347 1.817 -0.994) 3.130 7.654 ( 0.015 -15.187 -5.188) 16.049 8.064 ( -1.852 -7.362 -2.832) 8.102 8.171 ( -4.416 -6.161 12.115) 14.291 8.925 ( 5.858 -10.927 1.588) 12.500 9.053 ( -1.973 2.233 -1.735) 3.449 9.371 ( -2.521 6.009 -2.617) 7.022 9.576 ( 5.559 4.346 -8.331) 10.918 9.808 ( 2.514 -2.345 -2.904) 4.500 9.988 ( -5.568 0.567 2.524) 6.140 10.165 ( 0.217 -6.148 1.441) 6.319 10.334 ( 3.890 1.024 5.695) 6.972 10.558 ( -3.221 -1.338 -1.309) 3.725 11.119 ( -6.914 -2.930 -2.213) 7.828 11.272 ( -2.765 -5.422 9.574) 11.345 11.334 ( 0.301 -3.966 3.062) 5.019 11.509 ( -1.247 -2.993 -0.182) 3.247 11.596 ( 5.364 -1.841 1.694) 5.919 11.751 ( -2.058 -1.838 -4.590) 5.356 11.801 ( 5.225 6.308 0.148) 8.192 11.947 ( -0.632 2.849 -2.382) 3.767 12.114 ( 4.628 9.156 2.295) 10.512 12.265 ( -1.763 2.034 5.948) 6.529 12.646 ( -11.784 -12.735 8.766) 19.439 12.929 ( -3.967 -9.987 -0.585) 10.762 13.190 ( -2.709 -12.831 5.384) 14.176 13.422 ( -5.417 2.248 -2.805) 6.501 13.558 ( -4.447 0.856 1.419) 4.746 13.692 ( 6.504 -2.740 2.182) 7.387 13.973 ( -1.141 -5.999 -0.455) 6.123 14.087 ( -2.585 -5.547 -5.108) 7.971 14.144 ( -3.137 -3.835 1.074) 5.070 14.275 ( 4.002 1.459 -3.887) 5.767 14.370 ( 1.657 -2.602 -0.276) 3.097 14.509 ( -3.239 -1.224 0.935) 3.586 14.797 ( 1.291 -6.015 0.609) 6.182 14.922 ( 1.835 -0.605 -2.674) 3.299 15.025 ( 1.865 2.582 6.982) 7.675 15.316 ( -3.879 -2.646 0.023) 4.696 15.341 ( -0.685 1.483 -4.099) 4.413 15.436 ( -3.028 0.001 -0.259) 3.039 15.873 ( 1.137 0.079 0.575) 1.277 15.933 ( 2.676 1.474 2.107) 3.711 16.122 ( -0.953 1.438 -7.877) 8.064 16.252 ( 4.748 5.810 -3.853) 8.434 16.570 ( -4.988 -2.624 7.475) 9.362 17.144 ( 10.795 -13.742 -0.446) 17.480 17.391 ( 1.262 -6.558 -7.038) 9.702 17.688 ( 19.873 -7.615 5.631) 22.015 18.221 ( 2.499 6.332 -1.456) 6.962 18.642 ( 1.256 8.972 -0.368) 9.067 20.477 ( -1.268 14.131 1.065) 14.228 20.854 ( -0.160 11.965 -15.197) 19.342 21.148 ( -13.040 -3.493 8.812) 16.121 21.599 ( -0.081 3.404 0.924) 3.528 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.663 0.000 -5.440) 5.480 2.124 ( 0.963 0.000 4.642) 4.741 2.388 ( -1.663 -0.000 -0.917) 1.899 2.506 ( 4.226 0.000 1.634) 4.530 2.732 ( 1.096 0.000 -0.091) 1.100 2.828 ( -2.001 -0.000 -1.770) 2.672 3.036 ( 6.518 0.000 -1.634) 6.720 3.195 ( -12.457 -0.000 -3.125) 12.843 3.218 ( 11.569 0.000 4.925) 12.574 3.368 ( 6.370 0.000 1.194) 6.481 3.468 ( -3.082 -0.000 4.016) 5.062 3.602 ( 0.552 0.000 -4.528) 4.561 3.694 ( -2.377 -0.000 -0.651) 2.465 3.879 ( 5.875 0.000 1.089) 5.975 3.961 ( 1.974 0.000 0.899) 2.169 3.994 ( 6.497 0.000 5.739) 8.669 4.046 ( 7.515 0.000 -3.782) 8.413 4.168 ( -5.988 -0.000 -8.661) 10.530 4.417 ( 1.901 0.000 0.563) 1.983 4.480 ( -2.966 -0.000 4.014) 4.991 4.587 ( -4.261 -0.000 -3.775) 5.693 4.641 ( -3.829 -0.000 0.107) 3.831 4.732 ( 1.569 0.000 3.952) 4.252 5.088 ( -3.548 -0.000 -0.697) 3.615 5.337 ( -7.157 -0.000 7.565) 10.414 5.355 ( 4.947 0.000 8.238) 9.609 5.576 ( 8.599 0.000 -6.789) 10.956 5.604 ( -4.380 -0.000 -2.649) 5.119 5.700 ( -0.694 -0.000 -2.444) 2.541 5.871 ( 16.806 0.000 -8.909) 19.021 5.994 ( 13.028 0.000 5.086) 13.985 6.174 ( 1.805 0.000 -3.925) 4.321 6.382 ( 3.706 0.000 1.836) 4.136 6.760 ( 3.650 0.000 7.214) 8.085 6.841 ( -8.356 -0.000 -0.923) 8.407 6.988 ( -3.997 -0.000 -3.399) 5.247 7.474 ( -5.531 -0.000 0.001) 5.531 7.765 ( 1.140 0.000 0.810) 1.398 8.043 ( 0.461 0.000 0.037) 0.462 8.860 ( -11.022 -0.000 3.834) 11.670 8.986 ( -6.816 -0.000 -3.154) 7.511 9.197 ( 6.472 0.000 -2.088) 6.800 9.577 ( 3.462 0.000 5.852) 6.799 9.984 ( -1.106 -0.000 -3.973) 4.124 9.984 ( -1.134 -0.000 2.380) 2.636 10.114 ( 5.344 0.000 -8.562) 10.092 10.323 ( 0.398 0.000 5.092) 5.108 10.571 ( -4.621 -0.000 2.439) 5.226 10.944 ( 1.424 0.000 4.618) 4.832 11.180 ( 3.625 0.000 -0.555) 3.668 11.331 ( -1.082 -0.000 6.155) 6.249 11.332 ( 4.184 0.000 -1.816) 4.561 11.367 ( -6.694 -0.000 -6.026) 9.006 11.760 ( -0.695 -0.000 -4.306) 4.362 11.871 ( -0.491 -0.000 -3.998) 4.028 12.097 ( -2.308 -0.000 -0.613) 2.388 12.167 ( -0.338 -0.000 -3.825) 3.840 12.463 ( 2.031 0.000 9.447) 9.663 12.538 ( -6.542 -0.000 4.736) 8.076 12.834 ( 4.544 0.000 1.800) 4.888 12.884 ( -9.496 -0.000 -0.697) 9.521 13.085 ( 6.557 0.000 -0.964) 6.627 13.319 ( 4.224 0.000 -2.618) 4.969 13.354 ( -8.803 -0.000 -1.008) 8.861 13.514 ( -7.667 -0.000 -3.623) 8.480 13.718 ( -3.488 -0.000 -0.293) 3.500 13.957 ( -0.429 -0.000 -3.031) 3.062 14.145 ( -5.139 -0.000 0.698) 5.186 14.611 ( -3.904 -0.000 5.290) 6.575 14.706 ( 7.154 0.000 5.624) 9.100 14.855 ( 0.689 0.000 4.859) 4.908 14.858 ( -0.175 -0.000 -3.421) 3.426 15.058 ( -5.517 -0.000 -7.580) 9.375 15.138 ( 5.636 0.000 -9.128) 10.727 15.428 ( 8.978 0.000 7.676) 11.812 15.655 ( -0.617 -0.000 10.099) 10.118 15.705 ( 2.059 0.000 -7.138) 7.429 16.171 ( 0.758 0.000 0.110) 0.766 16.197 ( -4.613 -0.000 -3.666) 5.893 16.357 ( 1.657 0.000 -0.265) 1.678 16.683 ( -8.136 -0.000 5.989) 10.103 17.035 ( -12.093 -0.000 -5.021) 13.094 17.673 ( -10.095 -0.000 -3.557) 10.704 18.029 ( -2.195 -0.000 3.234) 3.908 18.499 ( 2.245 0.000 2.103) 3.076 18.728 ( 2.979 0.000 -1.181) 3.205 20.595 ( 5.285 0.000 0.250) 5.291 20.631 ( 6.825 0.000 -0.171) 6.827 21.162 ( 2.673 0.000 -0.759) 2.778 21.615 ( 4.591 0.000 0.779) 4.656 ======================= Grid point 139 (60/117) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 1.587 0.719 -4.984) 5.280 2.122 ( 0.224 1.930 4.166) 4.597 2.329 ( -5.739 -1.728 3.562) 6.972 2.574 ( 3.194 1.201 1.581) 3.760 2.726 ( -0.393 1.282 -6.848) 6.978 2.796 ( -0.764 1.026 -3.628) 3.847 2.988 ( -10.984 0.887 -4.647) 11.960 3.075 ( 0.661 1.182 -4.388) 4.593 3.212 ( -0.752 17.937 8.444) 19.840 3.473 ( 6.570 1.575 3.100) 7.434 3.525 ( -1.942 -9.702 8.511) 13.051 3.569 ( -6.449 -0.095 -3.038) 7.129 3.687 ( 8.977 -0.828 -6.191) 10.936 3.905 ( 1.736 3.462 3.366) 5.131 3.978 ( 1.744 -1.567 3.921) 4.569 4.084 ( -2.194 1.288 -6.763) 7.225 4.161 ( 5.024 -4.667 0.135) 6.859 4.250 ( 10.977 -4.509 2.225) 12.074 4.428 ( -0.135 0.896 1.355) 1.630 4.462 ( -0.320 7.935 -2.619) 8.362 4.485 ( -0.909 -2.904 0.037) 3.043 4.646 ( -1.477 -3.599 0.700) 3.953 4.810 ( 4.414 -5.468 1.904) 7.281 4.968 ( -9.594 0.698 -2.323) 9.896 5.239 ( -3.451 6.201 7.381) 10.240 5.395 ( 0.383 -0.618 3.305) 3.384 5.492 ( -6.958 1.146 -2.931) 7.637 5.646 ( 0.902 1.951 -3.799) 4.365 5.673 ( 2.833 2.255 -0.723) 3.692 6.054 ( 6.424 1.475 -6.246) 9.080 6.227 ( 6.199 -1.354 -3.994) 7.498 6.268 ( 12.087 0.536 1.843) 12.238 6.454 ( 2.636 -1.744 1.052) 3.331 6.734 ( -2.436 -0.740 1.395) 2.903 6.836 ( 1.227 -4.099 6.000) 7.369 7.002 ( 6.938 0.923 -3.691) 7.913 7.410 ( -2.460 -0.731 0.010) 2.566 7.795 ( 1.723 -0.224 0.553) 1.824 8.045 ( 0.227 0.060 0.893) 0.923 8.684 ( -10.497 -1.117 3.737) 11.199 8.890 ( -5.734 -2.047 -2.646) 6.639 9.325 ( 8.335 -0.562 -2.591) 8.747 9.646 ( 4.035 -0.617 4.577) 6.133 9.932 ( -5.599 -1.436 -5.095) 7.705 9.975 ( -0.465 -0.652 2.108) 2.255 10.169 ( 2.407 2.316 -10.213) 10.745 10.305 ( -2.240 1.934 7.075) 7.669 10.507 ( -2.622 -0.860 5.576) 6.221 10.952 ( -0.519 -0.147 5.037) 5.066 11.230 ( -2.921 0.743 -2.756) 4.084 11.261 ( -0.764 -1.178 0.098) 1.407 11.308 ( 0.077 2.252 3.615) 4.260 11.417 ( 3.136 -3.653 -2.232) 5.307 11.786 ( 4.525 1.442 -7.565) 8.932 11.841 ( -3.682 -2.207 -4.408) 6.153 12.073 ( 0.377 1.899 -2.812) 3.414 12.144 ( -0.802 0.391 -2.703) 2.846 12.440 ( -2.987 1.740 6.364) 7.242 12.497 ( -1.955 -2.023 8.807) 9.245 12.751 ( -0.824 6.494 0.702) 6.584 12.949 ( 3.586 -6.683 -2.434) 7.965 13.153 ( -1.190 8.345 -1.306) 8.530 13.257 ( 6.143 -3.323 -1.406) 7.124 13.383 ( 1.117 -4.251 1.843) 4.767 13.511 ( 2.690 -4.531 -1.474) 5.472 13.682 ( -2.358 -2.592 -0.144) 3.506 13.959 ( -0.707 -1.396 -3.176) 3.540 14.018 ( -9.029 0.188 2.627) 9.405 14.554 ( -3.121 0.505 1.581) 3.534 14.727 ( -3.927 -1.404 0.030) 4.171 14.789 ( -3.869 2.918 -0.843) 4.919 14.953 ( 7.618 1.127 0.751) 7.738 15.069 ( 4.377 -4.127 -3.094) 6.765 15.241 ( 7.323 0.936 -6.380) 9.757 15.521 ( 0.377 7.244 6.976) 10.064 15.647 ( 1.789 -4.954 7.466) 9.136 15.707 ( -0.862 0.881 -1.355) 1.832 16.123 ( -2.729 1.525 -3.999) 5.076 16.193 ( -0.526 -4.264 -5.076) 6.650 16.330 ( -1.851 7.751 4.574) 9.188 16.570 ( -9.508 -9.424 4.026) 13.979 16.812 ( -13.260 1.483 -3.328) 13.751 17.490 ( -12.130 -0.630 -4.275) 12.876 17.979 ( -3.486 0.776 3.078) 4.715 18.512 ( -0.295 0.094 -0.311) 0.439 18.795 ( 4.854 0.899 0.734) 4.990 20.676 ( 4.203 -0.265 0.188) 4.215 20.740 ( 6.104 -0.404 -0.053) 6.118 21.196 ( 2.234 1.663 -0.428) 2.818 21.701 ( 6.360 1.457 0.387) 6.536 ======================= Grid point 140 (61/117) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.083 3.682 -5.376) 6.605 2.099 ( -0.473 3.039 5.046) 5.909 2.263 ( -4.599 -3.388 6.005) 8.288 2.569 ( -0.085 4.027 -1.730) 4.384 2.681 ( -2.887 4.796 -5.082) 7.560 2.761 ( -1.392 3.589 -5.773) 6.939 2.853 ( -2.708 0.438 -4.820) 5.545 2.992 ( -2.536 16.646 1.811) 16.936 3.079 ( 2.085 3.567 3.742) 5.574 3.360 ( -11.638 0.001 -2.234) 11.850 3.554 ( 4.902 1.549 2.909) 5.907 3.645 ( 1.453 -3.925 4.674) 6.274 3.824 ( 5.543 0.620 -1.888) 5.889 3.935 ( 4.072 3.435 1.463) 5.525 4.006 ( -0.142 1.127 2.554) 2.795 4.048 ( 0.676 -2.104 -4.718) 5.210 4.233 ( -2.929 -2.146 -0.223) 3.637 4.376 ( 4.454 3.820 -4.283) 7.264 4.393 ( 1.365 1.815 7.288) 7.633 4.492 ( 3.227 -6.786 2.241) 7.842 4.547 ( 3.561 1.700 1.402) 4.188 4.676 ( 2.486 -5.310 -1.857) 6.150 4.787 ( -7.450 3.357 0.601) 8.194 4.899 ( -2.525 1.521 1.874) 3.493 5.082 ( -5.288 4.557 -2.284) 7.345 5.348 ( -5.146 3.309 -2.554) 6.630 5.445 ( 2.184 -2.010 -0.666) 3.042 5.617 ( 0.902 2.687 0.060) 2.835 5.746 ( 5.984 1.957 0.671) 6.332 6.099 ( 1.396 0.987 -1.281) 2.136 6.288 ( 0.257 -2.210 -3.630) 4.258 6.384 ( 5.205 4.882 0.781) 7.179 6.508 ( 1.117 -5.464 -2.652) 6.176 6.776 ( 3.331 -3.023 2.680) 5.236 6.918 ( 3.174 -4.110 4.071) 6.598 7.126 ( 8.166 2.632 -2.548) 8.950 7.405 ( 0.140 -1.885 -0.672) 2.006 7.810 ( 0.271 0.693 0.425) 0.857 8.065 ( 1.356 -1.373 2.497) 3.156 8.554 ( -7.641 -3.317 3.710) 9.119 8.842 ( -3.674 -4.755 -2.622) 6.556 9.462 ( 6.942 -0.623 -3.169) 7.656 9.710 ( 2.234 -0.385 2.704) 3.529 9.840 ( -7.006 -3.108 -2.504) 8.063 9.979 ( -0.705 -1.521 0.022) 1.676 10.112 ( -3.293 6.594 -7.004) 10.168 10.250 ( -0.948 1.771 5.193) 5.568 10.524 ( 0.025 -5.749 6.369) 8.580 10.955 ( -0.228 -2.544 4.583) 5.246 11.111 ( -6.761 1.151 -2.348) 7.250 11.296 ( 0.388 1.222 3.278) 3.520 11.316 ( 3.495 -0.104 1.533) 3.818 11.504 ( 3.006 -3.308 -2.833) 5.291 11.783 ( -3.811 -1.751 -3.560) 5.501 11.876 ( 5.707 0.673 -8.536) 10.290 12.068 ( 2.335 3.138 -0.618) 3.960 12.145 ( 1.170 0.422 -2.152) 2.486 12.397 ( -1.351 1.191 4.303) 4.664 12.478 ( -1.594 -2.253 5.177) 5.866 12.702 ( 2.143 6.128 -0.357) 6.502 12.972 ( -3.348 3.549 -6.124) 7.830 13.166 ( 7.097 -4.661 3.065) 9.027 13.442 ( 2.818 -8.422 0.909) 8.928 13.472 ( 6.305 -5.617 1.995) 8.676 13.630 ( 4.138 -3.411 0.040) 5.363 13.700 ( 1.590 -6.254 -0.146) 6.455 13.843 ( -8.878 -0.676 2.210) 9.174 13.995 ( 1.202 -1.899 -1.595) 2.756 14.487 ( -4.081 1.131 -2.007) 4.687 14.656 ( -4.859 0.011 -3.529) 6.006 14.712 ( -3.847 -0.385 -0.355) 3.882 15.032 ( 6.563 5.374 -0.225) 8.485 15.223 ( 7.299 -3.390 -0.346) 8.056 15.308 ( -1.798 5.786 0.321) 6.068 15.394 ( -0.383 1.701 1.926) 2.598 15.663 ( -2.068 2.174 3.523) 4.627 15.785 ( 6.603 -3.352 4.431) 8.630 16.072 ( -1.093 2.291 -3.402) 4.245 16.126 ( -9.004 5.369 -3.134) 10.941 16.278 ( 0.732 -6.525 1.020) 6.644 16.543 ( -9.778 -6.551 1.454) 11.859 16.600 ( -7.000 -2.176 0.369) 7.340 17.284 ( -13.080 -0.673 -3.999) 13.694 17.900 ( -4.915 1.366 1.987) 5.475 18.493 ( -0.777 1.770 -1.503) 2.449 18.857 ( 4.068 1.997 1.646) 4.821 20.740 ( 3.059 -0.563 0.070) 3.111 20.842 ( 5.146 -1.509 0.184) 5.366 21.196 ( 1.253 4.376 -0.191) 4.556 21.784 ( 5.940 3.043 0.024) 6.674 ======================= Grid point 141 (62/117) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.832 9.172 -3.091) 9.715 2.049 ( -2.318 2.308 4.158) 5.291 2.262 ( 0.382 -2.617 5.792) 6.368 2.506 ( -4.886 13.902 1.599) 14.822 2.525 ( 1.716 7.917 -4.898) 9.466 2.708 ( -1.889 2.559 -7.348) 8.006 2.773 ( -3.286 8.114 -1.205) 8.837 2.892 ( 2.172 2.245 -5.241) 6.102 3.031 ( -1.397 8.936 9.019) 12.773 3.235 ( -2.286 -0.379 -0.649) 2.407 3.587 ( -0.021 1.249 3.594) 3.805 3.680 ( 0.997 -0.519 0.611) 1.279 3.871 ( 3.353 3.049 0.153) 4.535 3.906 ( 0.473 8.928 -3.992) 9.791 3.972 ( -0.039 3.175 1.911) 3.706 4.126 ( 0.593 -1.670 -2.957) 3.448 4.185 ( 1.639 0.482 -0.440) 1.764 4.375 ( -1.403 5.505 1.967) 6.011 4.438 ( 1.483 -3.496 -1.720) 4.169 4.483 ( -2.355 4.477 4.223) 6.589 4.606 ( 0.970 8.128 1.281) 8.285 4.685 ( -0.561 -1.087 3.750) 3.944 4.704 ( -4.019 4.895 -2.385) 6.768 4.847 ( 2.883 -8.696 -4.330) 10.133 4.975 ( -5.871 -1.277 -2.087) 6.360 5.328 ( 1.508 -4.238 -1.026) 4.613 5.473 ( 1.548 3.568 -2.723) 4.748 5.643 ( 3.943 0.907 2.063) 4.542 5.794 ( 2.160 3.080 -0.738) 3.834 6.087 ( -2.579 -0.318 3.756) 4.567 6.290 ( 1.689 4.256 -1.305) 4.762 6.402 ( 1.036 0.533 0.493) 1.265 6.605 ( 2.885 -6.155 -5.764) 8.912 6.868 ( 2.076 -5.623 2.166) 6.373 6.998 ( 1.448 -4.490 3.511) 5.881 7.187 ( 3.340 3.796 -1.409) 5.249 7.435 ( 0.720 -1.296 -2.312) 2.746 7.805 ( 0.229 0.072 0.255) 0.350 8.105 ( 0.676 -2.227 4.301) 4.891 8.510 ( -3.280 -5.914 3.966) 7.840 8.867 ( -0.396 -7.385 -3.734) 8.285 9.537 ( 1.939 0.705 -4.460) 4.914 9.683 ( -5.174 -0.384 0.673) 5.232 9.823 ( -0.587 -4.422 2.420) 5.075 9.948 ( -2.552 2.572 -9.058) 9.756 10.018 ( -0.404 1.904 4.105) 4.543 10.239 ( 1.753 2.102 5.553) 6.191 10.599 ( -1.049 -8.554 1.181) 8.699 10.998 ( 1.095 -1.905 2.010) 2.978 11.018 ( -2.084 -0.909 5.318) 5.783 11.293 ( -0.141 0.243 1.463) 1.490 11.372 ( 1.740 -2.113 -0.458) 2.775 11.568 ( 2.112 -0.906 -2.823) 3.640 11.736 ( -2.543 0.009 -1.724) 3.072 11.957 ( 3.391 -2.101 -5.272) 6.611 12.085 ( 3.639 4.353 -0.813) 5.732 12.159 ( 1.893 1.715 -0.643) 2.634 12.361 ( -1.807 1.161 0.304) 2.169 12.503 ( 0.094 -2.889 4.622) 5.452 12.698 ( 3.346 3.349 -2.933) 5.569 12.895 ( -2.449 0.350 -2.523) 3.534 13.342 ( 6.819 -5.731 1.268) 8.997 13.513 ( -5.357 -7.968 1.041) 9.658 13.592 ( 0.483 -7.163 0.453) 7.194 13.682 ( 2.899 -0.194 0.148) 2.909 13.784 ( -1.305 -4.677 2.916) 5.664 13.899 ( 6.806 -12.602 3.053) 14.645 14.048 ( 3.428 -1.109 -3.351) 4.920 14.409 ( -2.510 1.929 -3.624) 4.812 14.561 ( -6.367 1.083 -3.935) 7.562 14.663 ( -3.612 -2.405 0.892) 4.430 15.056 ( 2.413 6.696 0.338) 7.125 15.165 ( -1.357 6.210 2.996) 7.027 15.337 ( 4.398 0.861 -0.053) 4.481 15.439 ( 2.988 2.298 0.757) 3.845 15.598 ( -2.987 2.699 1.192) 4.198 15.868 ( -2.770 0.179 2.963) 4.060 15.984 ( -0.472 -0.546 -3.723) 3.792 16.047 ( 1.108 -0.224 0.714) 1.337 16.361 ( -8.970 2.849 -0.449) 9.422 16.397 ( 3.125 -10.203 -1.056) 10.722 16.628 ( -3.097 -10.068 1.516) 10.642 17.090 ( -8.943 0.481 -1.371) 9.060 17.794 ( -5.145 2.875 0.307) 5.901 18.452 ( -0.844 3.631 -1.877) 4.174 18.885 ( 2.379 3.339 1.944) 4.537 20.787 ( 1.714 -0.792 -0.122) 1.892 20.940 ( 3.923 -2.766 0.531) 4.829 21.149 ( -0.069 6.741 -0.081) 6.742 21.827 ( 3.534 4.417 -0.444) 5.675 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -0.502 16.050 1.316) 16.112 1.965 ( -5.126 6.637 3.824) 9.217 2.233 ( -6.451 17.081 -2.462) 18.423 2.317 ( 5.335 3.097 6.419) 8.903 2.491 ( 0.073 2.828 -1.087) 3.031 2.613 ( -0.785 6.411 -3.163) 7.192 2.698 ( -1.297 0.537 -6.853) 6.995 2.897 ( 2.642 7.055 0.604) 7.557 2.980 ( 9.025 11.200 6.788) 15.905 3.202 ( -2.442 3.235 -0.113) 4.055 3.559 ( -0.717 1.765 2.965) 3.524 3.692 ( 0.384 1.001 -0.003) 1.072 3.785 ( -2.265 11.625 -1.330) 11.918 3.889 ( 3.114 4.383 -4.283) 6.875 3.958 ( 1.273 2.828 3.444) 4.634 4.072 ( -2.322 5.603 -11.849) 13.311 4.204 ( -5.249 8.249 4.747) 10.869 4.266 ( 3.727 -0.451 -1.324) 3.981 4.381 ( -5.473 10.555 -4.224) 12.617 4.457 ( 3.332 2.584 -1.869) 4.612 4.514 ( 0.536 -4.921 0.320) 4.960 4.680 ( 3.187 1.041 4.125) 5.316 4.747 ( -0.017 -2.208 2.665) 3.460 4.912 ( -2.370 -4.777 -2.502) 5.890 5.016 ( 2.794 -7.877 -2.074) 8.611 5.397 ( -1.230 -5.314 0.128) 5.456 5.444 ( 0.050 2.901 -1.236) 3.154 5.684 ( 0.015 0.728 1.194) 1.398 5.761 ( 1.129 6.657 -2.760) 7.295 6.022 ( -5.223 -0.112 7.105) 8.819 6.265 ( 2.461 7.886 -1.477) 8.392 6.410 ( 0.173 -0.202 2.918) 2.930 6.692 ( 1.836 -2.658 -5.932) 6.755 6.906 ( -2.438 -1.405 4.051) 4.933 7.106 ( 1.149 -11.930 -1.931) 12.140 7.190 ( 0.196 -1.022 -0.168) 1.054 7.436 ( -0.763 0.306 -2.846) 2.962 7.832 ( 1.114 -3.308 0.605) 3.542 8.125 ( -1.147 -2.107 5.497) 5.997 8.564 ( 1.202 -8.084 4.221) 9.199 8.958 ( 1.241 -8.159 -5.091) 9.697 9.520 ( -1.677 1.847 -3.939) 4.662 9.618 ( -1.425 0.685 0.846) 1.794 9.802 ( -2.123 1.353 -5.329) 5.894 9.956 ( 1.460 -4.250 -0.167) 4.497 10.012 ( -0.531 -0.516 4.363) 4.426 10.278 ( 5.136 1.846 7.150) 8.994 10.610 ( -4.822 -3.283 -5.217) 7.826 11.035 ( 1.174 -3.683 8.500) 9.338 11.076 ( 2.792 -5.191 4.419) 7.366 11.278 ( -1.928 -0.428 0.306) 1.998 11.413 ( 0.369 -2.969 -0.257) 3.002 11.589 ( 0.867 0.831 -4.822) 4.969 11.706 ( -1.175 -0.264 -0.284) 1.237 11.990 ( 1.497 5.303 -1.417) 5.690 12.108 ( 3.470 1.181 -2.383) 4.372 12.189 ( 2.495 0.487 4.280) 4.978 12.297 ( -4.599 0.691 -2.383) 5.226 12.499 ( -2.076 0.398 -0.006) 2.114 12.753 ( 2.103 -3.994 -3.429) 5.668 12.891 ( -1.860 -6.067 2.154) 6.702 13.462 ( -3.486 -4.149 0.874) 5.489 13.505 ( 4.331 -4.598 1.387) 6.468 13.649 ( -2.997 -2.256 -1.284) 3.965 13.730 ( 1.690 -5.762 1.583) 6.210 13.839 ( -0.458 -8.136 -1.091) 8.222 14.067 ( -4.098 -11.952 3.324) 13.065 14.131 ( 5.217 -2.179 -2.705) 6.267 14.400 ( 2.927 0.152 -1.567) 3.324 14.427 ( -6.386 1.580 -3.657) 7.527 14.658 ( -0.128 -3.312 1.324) 3.569 15.013 ( 1.535 5.813 2.416) 6.479 15.141 ( 4.181 7.583 -0.267) 8.663 15.333 ( -1.834 4.111 1.477) 4.738 15.431 ( 0.151 2.409 1.600) 2.896 15.525 ( -3.279 1.174 -2.324) 4.187 15.827 ( 0.140 -0.650 2.434) 2.523 15.981 ( 1.109 1.868 -3.407) 4.041 16.138 ( 0.732 -5.276 0.858) 5.396 16.233 ( 0.942 4.638 -0.731) 4.789 16.541 ( -3.094 -10.482 0.685) 10.950 16.656 ( -1.509 -10.178 -3.049) 10.732 17.058 ( 5.892 -1.464 3.462) 6.989 17.692 ( -1.599 5.006 -0.993) 5.349 18.395 ( -0.578 5.042 -1.934) 5.431 18.867 ( 0.277 4.992 1.985) 5.379 20.799 ( -0.747 1.169 -0.076) 1.389 21.008 ( 2.501 1.909 -0.708) 3.225 21.082 ( -1.790 1.192 1.020) 2.381 21.804 ( -0.354 5.762 -0.973) 5.854 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 1.373 21.253 0.715) 21.309 1.694 ( -3.836 20.987 11.636) 24.301 2.090 ( 0.578 5.383 -3.981) 6.720 2.366 ( 5.737 6.545 4.541) 9.817 2.476 ( 0.905 3.315 -2.924) 4.512 2.590 ( 3.943 4.098 -6.665) 8.761 2.683 ( -0.423 -0.839 -1.379) 1.669 2.876 ( 5.696 10.052 3.635) 12.112 3.040 ( 6.085 13.699 -3.702) 15.440 3.100 ( 2.509 5.728 5.995) 8.663 3.525 ( -0.370 4.285 3.642) 5.636 3.604 ( -5.279 9.604 -0.297) 10.963 3.670 ( 0.101 4.922 -0.568) 4.955 3.888 ( 2.973 4.038 -8.104) 9.530 3.932 ( 3.044 7.404 -6.342) 10.213 4.014 ( -2.999 -1.580 -4.614) 5.725 4.060 ( -1.212 7.567 5.211) 9.267 4.265 ( 0.517 4.723 -4.148) 6.307 4.362 ( 4.402 -3.048 1.941) 5.695 4.505 ( 5.246 2.876 -4.712) 7.616 4.579 ( 2.315 -1.465 -0.996) 2.915 4.722 ( -3.549 -1.513 -0.488) 3.889 4.747 ( 5.082 0.626 5.716) 7.674 4.898 ( -5.567 -5.362 -0.320) 7.736 5.127 ( 2.078 -5.158 -2.751) 6.204 5.347 ( -3.906 5.840 1.681) 7.225 5.411 ( -6.235 -4.184 0.519) 7.527 5.632 ( -1.542 1.547 0.811) 2.330 5.729 ( -0.480 2.767 -3.486) 4.477 5.948 ( -3.806 0.377 6.983) 7.962 6.215 ( 1.418 8.353 0.738) 8.504 6.415 ( -0.017 0.043 2.768) 2.768 6.690 ( -1.916 2.931 -3.686) 5.084 6.861 ( -2.858 -0.278 3.382) 4.437 7.160 ( -0.341 -0.990 -4.682) 4.798 7.280 ( -3.911 -17.249 -0.229) 17.688 7.426 ( 0.420 -1.032 -3.086) 3.280 7.895 ( -0.393 -7.007 0.796) 7.063 8.113 ( -2.620 -1.502 6.226) 6.920 8.710 ( 5.011 -10.147 4.019) 12.010 9.028 ( -0.930 -4.906 -4.533) 6.744 9.458 ( -2.310 3.248 -1.577) 4.286 9.639 ( 4.775 1.693 -4.169) 6.561 9.787 ( 1.724 0.106 -3.629) 4.019 9.988 ( -3.634 -2.043 0.625) 4.215 10.026 ( 0.022 -4.672 3.231) 5.680 10.364 ( 5.643 1.303 5.421) 7.933 10.547 ( -2.334 0.364 -1.875) 3.016 11.035 ( -6.004 -4.879 1.981) 7.986 11.209 ( 4.361 -2.171 8.634) 9.913 11.258 ( -0.830 -3.178 1.704) 3.700 11.441 ( -1.459 -3.817 -0.150) 4.089 11.598 ( 2.752 0.707 -4.612) 5.417 11.688 ( -2.661 -1.929 -1.468) 3.600 11.955 ( 3.765 7.846 -1.256) 8.793 12.065 ( -4.239 7.677 -1.902) 8.973 12.212 ( -2.481 -6.210 8.931) 11.157 12.280 ( 5.215 4.808 0.540) 7.114 12.462 ( -3.759 -4.085 -5.260) 7.647 12.776 ( -4.868 -4.800 -1.018) 6.912 12.945 ( -2.938 -11.190 3.326) 12.038 13.429 ( -4.144 -1.614 -1.927) 4.846 13.568 ( -5.827 0.158 0.750) 5.877 13.642 ( 7.654 -2.505 1.745) 8.240 13.827 ( 0.252 -7.840 -0.633) 7.870 13.911 ( -2.107 -10.119 -2.843) 10.720 14.060 ( -7.847 -7.651 2.804) 11.312 14.227 ( 2.966 -6.402 1.032) 7.131 14.357 ( 0.598 2.726 -7.348) 7.860 14.450 ( 0.122 -2.127 0.745) 2.257 14.713 ( 1.967 -3.338 1.100) 4.028 14.993 ( 3.159 6.937 -0.490) 7.638 15.116 ( 0.473 5.857 5.025) 7.732 15.267 ( -2.455 -0.334 0.144) 2.482 15.403 ( -0.138 3.923 0.948) 4.038 15.466 ( -1.761 1.317 -2.984) 3.707 15.873 ( 3.438 -0.128 0.987) 3.579 15.987 ( 1.669 3.173 0.834) 3.681 16.104 ( -3.527 -2.479 -4.209) 6.025 16.326 ( 7.418 2.473 -2.016) 8.075 16.496 ( -4.040 -4.994 3.531) 7.330 16.852 ( 6.433 -14.681 -0.487) 16.036 17.251 ( 9.656 -5.812 -1.720) 11.401 17.688 ( 8.082 3.771 1.531) 9.049 18.341 ( 0.885 5.472 -1.863) 5.848 18.800 ( -1.363 6.474 1.724) 6.837 20.718 ( -3.379 7.901 0.200) 8.595 20.992 ( 1.408 5.220 -5.497) 7.711 21.056 ( -6.159 -4.636 4.565) 8.959 21.708 ( -3.121 6.441 -0.550) 7.178 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 7.897 11.950 7.137) 16.003 1.612 ( 15.749 19.233 8.037) 26.125 2.054 ( 0.541 4.971 -3.704) 6.223 2.336 ( 1.553 10.001 -8.718) 13.358 2.499 ( 5.490 1.447 2.819) 6.339 2.595 ( 1.177 3.825 -1.382) 4.234 2.735 ( 5.420 -0.374 -0.787) 5.489 2.826 ( -2.644 5.765 -2.801) 6.933 3.021 ( 12.060 9.141 0.964) 15.164 3.171 ( 9.440 9.943 7.066) 15.424 3.437 ( -3.812 5.089 1.320) 6.494 3.491 ( 3.247 9.240 0.278) 9.797 3.617 ( 0.559 6.035 -3.149) 6.831 3.856 ( 0.247 7.720 -0.579) 7.746 3.951 ( 0.936 -1.510 -6.696) 6.928 3.998 ( 3.871 5.114 -2.123) 6.756 4.030 ( 4.787 2.232 4.110) 6.692 4.250 ( 0.745 1.714 -3.945) 4.365 4.456 ( 2.512 -1.733 0.254) 3.062 4.560 ( 3.391 0.300 -3.576) 4.938 4.591 ( 1.630 3.953 -5.923) 7.305 4.692 ( -1.216 -1.140 -3.325) 3.719 4.829 ( -2.531 -4.317 4.505) 6.733 4.867 ( 0.700 -3.616 5.756) 6.833 5.110 ( -4.211 6.568 -1.629) 7.970 5.254 ( 0.052 0.501 3.160) 3.200 5.350 ( -7.160 -7.123 -1.447) 10.203 5.613 ( -0.753 1.659 3.842) 4.251 5.691 ( -2.545 -2.308 -4.335) 5.531 5.877 ( -3.524 2.516 3.131) 5.344 6.144 ( -0.471 8.813 2.325) 9.127 6.401 ( -1.629 0.441 1.120) 2.025 6.598 ( -3.316 4.809 0.856) 5.904 6.828 ( -2.971 -1.860 0.642) 3.563 7.155 ( -1.288 -1.558 -4.929) 5.328 7.304 ( -5.883 -4.934 -0.031) 7.678 7.507 ( 0.665 -11.904 -3.704) 12.484 7.939 ( -3.875 -8.400 1.121) 9.319 8.074 ( -3.475 -0.296 5.941) 6.889 8.910 ( 5.308 -10.577 4.486) 12.656 9.039 ( 0.266 -1.122 -4.222) 4.377 9.390 ( -1.568 3.819 1.495) 4.391 9.681 ( 1.591 3.321 -10.002) 10.658 9.845 ( 3.617 -1.500 -1.286) 4.121 9.911 ( -4.128 1.437 -0.340) 4.384 10.064 ( -2.242 -5.834 1.959) 6.549 10.391 ( -1.147 0.674 1.302) 1.862 10.571 ( 4.920 1.250 7.738) 9.255 10.967 ( -6.203 -3.166 -2.270) 7.325 11.215 ( -1.943 -0.042 3.744) 4.219 11.295 ( -1.173 -1.005 1.330) 2.038 11.432 ( -3.611 -3.764 -0.637) 5.254 11.638 ( -3.074 -0.279 -1.070) 3.267 11.713 ( 6.113 -4.671 -1.110) 7.773 11.937 ( -1.899 3.840 1.217) 4.454 11.971 ( 5.062 4.834 0.043) 6.999 12.237 ( -0.560 -3.452 8.406) 9.104 12.298 ( 5.560 8.089 -0.554) 9.831 12.437 ( -4.452 -3.091 -1.315) 5.577 12.760 ( -4.084 -9.868 -0.437) 10.688 12.956 ( -9.564 -9.974 -2.498) 14.043 13.351 ( -5.095 0.619 -3.835) 6.407 13.493 ( -3.725 -1.577 6.161) 7.370 13.791 ( 6.454 -1.575 1.456) 6.801 13.865 ( -4.286 -4.876 -4.265) 7.768 13.981 ( -1.138 -8.340 -1.805) 8.609 13.983 ( -8.255 -8.749 4.151) 12.725 14.322 ( -1.063 0.904 -8.065) 8.185 14.378 ( 3.964 -5.006 -0.443) 6.400 14.458 ( 0.888 -0.020 1.758) 1.969 14.783 ( 2.615 -3.860 0.735) 4.720 14.972 ( 1.413 4.082 0.687) 4.374 15.061 ( -1.171 4.530 5.769) 7.428 15.251 ( -1.277 -1.865 0.706) 2.368 15.345 ( -1.762 4.492 -1.400) 5.024 15.452 ( 1.625 1.401 -3.479) 4.087 15.870 ( -3.026 2.682 0.739) 4.110 15.993 ( 1.493 0.624 1.299) 2.075 16.118 ( 3.038 -1.538 -4.209) 5.414 16.339 ( 0.614 3.543 -0.300) 3.609 16.604 ( 9.495 -1.381 4.651) 10.663 17.098 ( 3.372 -15.666 -1.371) 16.083 17.444 ( 9.532 -4.391 -7.242) 12.751 17.869 ( 9.386 -3.867 4.806) 11.232 18.338 ( 5.130 4.036 -1.055) 6.612 18.715 ( -0.771 5.325 0.616) 5.415 20.569 ( -2.605 10.230 -0.186) 10.559 20.852 ( -10.657 7.571 -2.111) 13.242 21.028 ( 0.517 -0.210 0.445) 0.714 21.611 ( -2.375 2.998 1.288) 4.036 ======================= Grid point 149 (66/117) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.152 0.000 -5.039) 5.479 2.138 ( 0.425 0.000 3.591) 3.616 2.217 ( -6.284 -0.000 6.893) 9.328 2.601 ( -0.846 -0.000 3.053) 3.168 2.716 ( -0.826 -0.000 -11.968) 11.997 2.802 ( -2.237 -0.000 -6.912) 7.265 2.854 ( -2.044 -0.000 -3.828) 4.339 3.082 ( 0.557 0.000 -5.724) 5.751 3.329 ( -7.391 -0.000 9.624) 12.135 3.415 ( -5.649 -0.000 1.533) 5.854 3.420 ( 0.757 0.000 8.967) 8.999 3.575 ( 4.290 0.000 0.290) 4.300 3.827 ( 7.750 0.000 -3.468) 8.490 3.993 ( 4.425 0.000 10.748) 11.623 3.998 ( 2.235 0.000 -2.963) 3.711 4.062 ( -0.289 -0.000 -6.105) 6.112 4.172 ( -0.074 -0.000 1.718) 1.719 4.375 ( 6.159 0.000 2.159) 6.526 4.417 ( -3.176 -0.000 4.795) 5.752 4.490 ( 2.258 0.000 -5.347) 5.804 4.527 ( 4.040 0.000 -5.373) 6.722 4.623 ( 0.014 0.000 3.164) 3.164 4.813 ( -6.748 -0.000 -0.471) 6.765 4.891 ( 7.188 0.000 2.523) 7.618 5.255 ( -4.710 -0.000 -0.264) 4.718 5.306 ( -6.963 -0.000 -2.215) 7.307 5.408 ( -1.286 -0.000 3.270) 3.514 5.647 ( 0.236 0.000 -0.300) 0.382 5.776 ( 5.894 0.000 -0.650) 5.930 6.114 ( 0.427 0.000 -4.944) 4.962 6.243 ( 0.192 0.000 -4.388) 4.393 6.437 ( -2.029 -0.000 -3.305) 3.878 6.454 ( 5.968 0.000 1.109) 6.070 6.755 ( 4.542 0.000 3.570) 5.777 6.874 ( 5.139 0.000 6.020) 7.915 7.158 ( 9.839 0.000 -3.349) 10.394 7.381 ( -0.574 -0.000 0.095) 0.582 7.819 ( 0.884 0.000 0.139) 0.895 8.052 ( 0.883 0.000 2.313) 2.476 8.520 ( -8.357 -0.000 3.431) 9.034 8.793 ( -4.292 -0.000 -2.460) 4.947 9.455 ( 7.320 0.000 -3.120) 7.957 9.710 ( 3.545 0.000 3.677) 5.108 9.802 ( -8.315 -0.000 -3.805) 9.144 9.965 ( -0.424 -0.000 0.234) 0.484 10.205 ( 0.731 0.000 -7.128) 7.165 10.250 ( -5.478 -0.000 4.109) 6.848 10.460 ( -1.764 -0.000 7.830) 8.027 10.930 ( -1.685 -0.000 4.332) 4.648 11.124 ( -4.663 -0.000 -2.595) 5.337 11.309 ( -1.181 -0.000 4.005) 4.176 11.314 ( 1.580 0.000 1.758) 2.364 11.465 ( 5.445 0.000 -2.993) 6.213 11.761 ( -3.393 -0.000 -4.238) 5.429 11.882 ( 4.721 0.000 -10.293) 11.324 12.103 ( 1.672 0.000 -2.173) 2.742 12.152 ( 2.016 0.000 -0.180) 2.024 12.409 ( -1.591 -0.000 6.136) 6.339 12.461 ( -1.192 -0.000 3.824) 4.005 12.791 ( 0.775 0.000 -0.469) 0.906 12.983 ( 4.258 0.000 -3.409) 5.454 13.147 ( -3.048 -0.000 -0.439) 3.080 13.326 ( 2.962 0.000 4.096) 5.055 13.405 ( 6.473 0.000 -0.301) 6.480 13.601 ( 7.713 0.000 0.245) 7.717 13.635 ( -1.734 -0.000 -0.227) 1.749 13.839 ( -9.150 -0.000 2.268) 9.426 13.978 ( 2.176 0.000 -0.708) 2.289 14.501 ( -3.764 -0.000 -2.259) 4.390 14.651 ( -3.960 -0.000 -1.768) 4.336 14.715 ( -5.350 -0.000 -2.381) 5.856 15.132 ( 6.540 0.000 -0.933) 6.606 15.140 ( 10.609 0.000 0.412) 10.617 15.370 ( 7.371 0.000 -4.621) 8.700 15.413 ( -12.678 -0.000 4.296) 13.386 15.685 ( -2.162 -0.000 5.404) 5.820 15.740 ( 8.198 0.000 6.940) 10.741 16.130 ( 0.474 0.000 -6.285) 6.303 16.151 ( 0.019 0.000 -5.354) 5.354 16.255 ( -17.058 -0.000 1.868) 17.160 16.402 ( 0.566 0.000 5.546) 5.575 16.610 ( -11.334 -0.000 -1.232) 11.401 17.279 ( -12.330 -0.000 -3.600) 12.844 17.914 ( -4.705 -0.000 1.738) 5.016 18.510 ( -0.139 -0.000 -1.416) 1.423 18.876 ( 4.158 0.000 1.597) 4.454 20.732 ( 2.769 0.000 0.590) 2.831 20.824 ( 4.352 0.000 -0.478) 4.378 21.242 ( 2.069 0.000 -0.043) 2.070 21.815 ( 6.068 0.000 0.029) 6.068 ======================= Grid point 151 (67/117) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.218 2.268 -5.812) 6.357 2.100 ( -2.846 3.420 6.570) 7.935 2.183 ( -0.448 -4.336 4.596) 6.334 2.565 ( -3.097 0.413 6.874) 7.551 2.690 ( 0.092 2.721 -12.375) 12.671 2.738 ( -1.838 1.647 -7.252) 7.660 2.886 ( 3.406 0.872 -6.047) 6.994 3.044 ( -5.059 8.890 -5.661) 11.691 3.183 ( -6.186 -3.807 -1.437) 7.404 3.256 ( 3.872 15.398 13.756) 21.008 3.546 ( -1.529 -9.793 7.360) 12.345 3.625 ( 1.548 -1.451 -1.574) 2.642 3.920 ( 4.489 1.488 2.819) 5.506 4.024 ( 2.518 3.633 -4.984) 6.662 4.045 ( 0.416 3.850 6.099) 7.224 4.076 ( 4.527 -1.769 -0.746) 4.917 4.166 ( -2.549 -2.353 1.038) 3.621 4.373 ( -1.120 0.199 2.549) 2.792 4.445 ( -0.999 -5.552 3.761) 6.780 4.507 ( 4.027 4.700 -3.020) 6.887 4.568 ( -2.777 -1.832 -0.419) 3.353 4.676 ( 4.703 -7.623 -3.880) 9.761 4.781 ( 2.901 4.297 1.164) 5.314 4.949 ( 0.454 9.252 1.318) 9.356 5.040 ( -6.905 9.112 -4.714) 12.367 5.254 ( -4.831 -5.694 -3.870) 8.411 5.451 ( 1.696 -3.912 5.695) 7.114 5.659 ( 1.766 1.155 0.330) 2.136 5.852 ( 4.203 1.924 -0.902) 4.709 6.083 ( -3.272 0.152 -1.906) 3.789 6.249 ( -0.652 -3.890 -2.321) 4.576 6.428 ( -0.729 -2.495 -5.031) 5.663 6.506 ( 2.779 0.872 -2.310) 3.718 6.832 ( 3.539 0.171 4.739) 5.917 6.958 ( 3.030 -0.717 6.123) 6.869 7.272 ( 5.204 3.736 -2.985) 7.067 7.395 ( 0.869 -2.367 -0.854) 2.662 7.820 ( -0.035 0.783 -1.049) 1.310 8.076 ( 1.042 -0.705 4.142) 4.329 8.425 ( -4.418 -2.367 3.679) 6.218 8.758 ( -1.226 -3.036 -3.173) 4.559 9.542 ( 2.802 0.222 -4.246) 5.092 9.672 ( -6.831 -1.062 -0.397) 6.925 9.764 ( 1.677 -1.097 3.213) 3.786 9.961 ( -0.173 0.016 -2.950) 2.955 10.115 ( -3.536 6.213 -0.075) 7.149 10.244 ( 0.449 -3.207 -0.015) 3.238 10.468 ( 0.077 -3.234 7.068) 7.773 10.919 ( -0.921 -2.263 4.098) 4.772 11.075 ( -0.323 2.281 0.980) 2.503 11.283 ( -2.025 -0.384 1.079) 2.327 11.320 ( -1.474 -2.651 -1.565) 3.413 11.564 ( 5.543 0.268 -0.470) 5.570 11.720 ( -1.981 -0.908 -3.867) 4.439 11.919 ( 0.002 -0.812 -8.609) 8.647 12.132 ( 2.711 0.969 0.827) 2.995 12.206 ( 4.486 1.225 -0.228) 4.656 12.388 ( -1.013 1.069 4.054) 4.313 12.463 ( 0.596 -0.724 -0.150) 0.950 12.781 ( 0.095 1.925 -2.775) 3.379 12.966 ( -1.301 8.197 -4.219) 9.311 13.206 ( 4.328 -9.063 3.135) 10.522 13.382 ( -0.928 -3.370 5.629) 6.626 13.465 ( -0.694 -4.582 -2.716) 5.372 13.626 ( -1.617 -3.822 -1.500) 4.413 13.727 ( 5.166 -0.493 2.571) 5.791 13.777 ( 1.585 -1.263 5.059) 5.450 14.043 ( 5.621 0.006 -2.996) 6.370 14.438 ( -2.251 0.860 -3.827) 4.523 14.588 ( -4.227 1.376 -2.672) 5.186 14.625 ( -5.310 -1.480 -0.924) 5.590 15.162 ( -3.866 3.402 0.859) 5.221 15.264 ( 3.618 3.743 1.338) 5.375 15.324 ( 7.370 -2.008 0.893) 7.691 15.464 ( 3.610 0.379 -2.233) 4.261 15.641 ( -3.141 1.227 4.919) 5.964 15.857 ( 3.685 -1.205 4.646) 6.051 15.969 ( -12.590 0.921 1.299) 12.690 16.103 ( 0.111 3.732 -5.191) 6.394 16.219 ( 2.416 -6.753 -2.779) 7.692 16.400 ( -4.441 -0.004 2.387) 5.042 16.479 ( -4.062 -3.641 0.315) 5.464 17.102 ( -7.693 0.453 -1.385) 7.830 17.833 ( -4.240 0.993 0.097) 4.356 18.500 ( -0.367 1.246 -1.757) 2.185 18.928 ( 2.502 1.038 1.836) 3.272 20.769 ( 1.314 -0.640 0.708) 1.624 20.887 ( 2.404 -1.574 -0.581) 2.931 21.255 ( 1.096 2.931 0.218) 3.136 21.890 ( 3.661 1.672 -0.251) 4.032 ======================= Grid point 152 (68/117) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 1.417 6.278 -4.926) 8.104 2.031 ( -1.624 3.220 6.325) 7.281 2.250 ( 2.462 -4.109 1.909) 5.157 2.505 ( -3.471 0.664 9.867) 10.480 2.616 ( -4.676 11.958 -4.232) 13.519 2.693 ( -0.087 0.823 -13.630) 13.655 2.817 ( -2.188 11.590 -4.168) 12.510 2.934 ( 2.549 0.278 -5.488) 6.057 3.179 ( 2.346 1.705 3.597) 4.620 3.238 ( 4.114 6.014 8.868) 11.478 3.568 ( -0.975 -1.503 2.488) 3.065 3.662 ( 0.002 -3.109 0.158) 3.113 3.947 ( -5.254 5.083 1.984) 7.575 3.961 ( 2.933 3.282 1.766) 4.743 4.028 ( 2.169 4.776 1.169) 5.374 4.115 ( -0.551 0.779 -6.006) 6.081 4.221 ( 4.837 -3.502 4.682) 7.588 4.357 ( -2.174 -0.788 -0.249) 2.326 4.459 ( -1.502 -4.132 4.224) 6.097 4.513 ( 3.035 6.713 -1.061) 7.443 4.596 ( -2.266 -3.714 -1.741) 4.686 4.685 ( -4.027 13.519 -3.528) 14.540 4.755 ( -0.014 3.259 0.726) 3.339 4.835 ( 2.686 -1.856 -2.274) 3.979 4.964 ( 2.532 3.577 -1.053) 4.507 5.271 ( -1.533 -6.619 -1.481) 6.953 5.488 ( -1.265 -1.427 -0.356) 1.940 5.675 ( 0.489 -0.266 2.698) 2.754 5.873 ( 2.129 4.160 -2.564) 5.330 6.012 ( -5.209 -0.057 1.763) 5.500 6.304 ( 1.392 -4.491 -1.657) 4.985 6.434 ( 0.108 0.451 -0.161) 0.491 6.564 ( 1.941 -5.228 -7.501) 9.347 6.860 ( -0.324 -0.520 3.733) 3.783 6.984 ( -0.762 -1.261 5.923) 6.103 7.267 ( 0.602 5.288 -1.227) 5.462 7.425 ( -0.390 -1.611 -2.347) 2.873 7.812 ( 0.096 0.496 -1.189) 1.292 8.093 ( -0.374 -1.063 4.875) 5.004 8.430 ( 0.318 -5.181 4.002) 6.554 8.808 ( 1.565 -5.935 -4.064) 7.361 9.535 ( -1.615 0.601 -3.917) 4.280 9.619 ( -1.611 -1.608 0.132) 2.280 9.783 ( -1.093 -1.257 2.501) 3.005 9.951 ( 0.445 1.673 -5.495) 5.761 10.035 ( -0.257 3.419 3.305) 4.762 10.298 ( 2.963 -1.726 2.119) 4.031 10.517 ( 0.689 -3.978 3.818) 5.557 10.943 ( -0.752 -4.109 4.578) 6.197 11.071 ( 3.631 2.872 3.483) 5.793 11.253 ( -2.917 -1.833 -0.836) 3.545 11.332 ( -1.544 -4.884 -2.136) 5.550 11.617 ( 2.050 1.816 -1.079) 2.943 11.705 ( -1.057 -0.461 -1.615) 1.985 11.929 ( -0.769 -4.888 -6.864) 8.462 12.168 ( 2.825 2.740 -0.639) 3.987 12.246 ( 3.039 3.078 -0.531) 4.358 12.347 ( -2.276 2.663 2.090) 4.079 12.479 ( -0.566 -2.075 1.752) 2.774 12.770 ( -0.647 -0.483 -2.928) 3.037 12.850 ( -1.977 7.369 -3.982) 8.606 13.355 ( -2.796 -7.141 0.779) 7.708 13.394 ( 4.548 -6.712 4.807) 9.426 13.530 ( 0.630 -6.020 1.790) 6.312 13.650 ( -1.391 -6.234 -3.181) 7.136 13.743 ( -2.760 -0.651 2.259) 3.625 13.850 ( -0.083 -5.730 4.660) 7.386 14.131 ( 3.503 0.427 -4.487) 5.709 14.431 ( 2.587 1.739 -1.615) 3.511 14.463 ( -5.677 1.931 -3.150) 6.774 14.603 ( -0.255 -2.332 -0.387) 2.378 15.099 ( 2.134 2.826 2.867) 4.556 15.290 ( 3.074 6.652 -2.400) 7.711 15.416 ( 0.860 3.465 3.183) 4.783 15.470 ( 0.189 1.135 0.784) 1.392 15.538 ( -6.450 0.423 -0.723) 6.504 15.821 ( -0.004 0.070 3.121) 3.122 15.957 ( -0.190 -4.191 -0.441) 4.218 16.092 ( 2.842 1.425 -0.250) 3.189 16.312 ( -2.700 1.564 -0.042) 3.121 16.346 ( 3.274 -7.116 -0.526) 7.851 16.483 ( -2.819 -6.650 -1.478) 7.373 17.055 ( 3.184 0.458 1.122) 3.406 17.767 ( -1.075 2.538 -0.848) 2.883 18.472 ( -0.612 2.651 -1.799) 3.262 18.937 ( 0.372 2.202 1.873) 2.915 20.788 ( -0.221 -1.145 0.487) 1.264 20.933 ( 0.032 -3.513 -0.311) 3.527 21.219 ( -0.032 5.982 0.311) 5.990 21.896 ( -0.000 3.304 -0.470) 3.338 ======================= Grid point 153 (69/117) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.155 11.347 -6.419) 13.088 1.974 ( 0.878 8.136 7.987) 11.435 2.231 ( -5.217 6.961 0.159) 8.700 2.461 ( 1.851 6.111 7.029) 9.496 2.479 ( 2.672 -0.846 2.760) 3.933 2.685 ( -0.181 0.810 -11.781) 11.811 2.728 ( 1.132 7.676 -6.260) 9.969 2.975 ( 3.759 2.081 -1.555) 4.570 3.196 ( -1.337 3.098 -0.806) 3.469 3.248 ( 7.148 6.699 8.197) 12.774 3.578 ( 1.820 1.436 3.476) 4.178 3.692 ( 0.593 -1.962 1.362) 2.461 3.780 ( -8.454 5.128 1.104) 9.949 3.928 ( -2.632 4.154 -5.397) 7.302 4.026 ( 1.279 3.107 2.695) 4.307 4.075 ( 0.821 4.840 -8.122) 9.490 4.254 ( 0.220 3.790 5.295) 6.515 4.384 ( -3.263 4.946 -3.508) 6.886 4.414 ( 6.258 6.675 0.970) 9.201 4.494 ( 1.760 1.156 3.017) 3.679 4.511 ( 0.623 -2.700 0.714) 2.861 4.660 ( 0.683 -0.558 2.747) 2.885 4.786 ( 3.069 0.326 1.900) 3.624 4.854 ( -1.919 -0.414 -5.570) 5.906 5.013 ( 2.452 -3.842 -2.734) 5.315 5.302 ( -1.996 -4.730 0.387) 5.148 5.444 ( -3.739 0.909 -3.183) 4.994 5.666 ( -1.635 0.976 1.592) 2.482 5.828 ( -1.821 6.968 -3.061) 7.826 5.930 ( -4.157 -1.146 5.142) 6.710 6.337 ( 0.128 1.655 -2.836) 3.287 6.431 ( 0.978 1.453 3.118) 3.576 6.648 ( 0.143 -6.798 -6.483) 9.395 6.844 ( -3.149 -1.928 2.134) 4.264 6.988 ( -3.012 -6.913 4.079) 8.573 7.205 ( -2.079 3.777 -1.292) 4.500 7.416 ( -1.374 -0.746 -2.321) 2.799 7.815 ( -0.339 -1.341 -0.023) 1.384 8.088 ( -1.548 -1.046 4.410) 4.790 8.536 ( 4.606 -7.262 4.079) 9.518 8.899 ( 1.288 -6.720 -3.740) 7.798 9.499 ( -2.140 0.837 -3.914) 4.539 9.644 ( 3.391 -1.201 -1.177) 3.785 9.770 ( -1.810 -1.919 1.794) 3.190 9.945 ( 0.289 0.943 -4.411) 4.520 10.024 ( 1.391 1.942 4.282) 4.903 10.365 ( 2.219 -1.901 0.903) 3.059 10.555 ( 1.843 0.271 3.020) 3.548 10.956 ( -2.307 -2.824 4.103) 5.489 11.155 ( 6.282 -1.684 3.731) 7.498 11.222 ( -2.643 -1.594 1.165) 3.299 11.357 ( -1.390 -4.707 -0.452) 4.928 11.609 ( -0.956 0.604 -2.925) 3.136 11.685 ( -0.802 0.660 -1.628) 1.931 11.985 ( -0.320 -7.457 -4.836) 8.893 12.143 ( -0.435 4.571 -5.346) 7.047 12.208 ( -4.951 5.652 -1.906) 7.752 12.324 ( 4.463 1.138 7.192) 8.540 12.472 ( -1.529 0.713 2.166) 2.746 12.743 ( -3.155 0.362 -2.747) 4.199 12.789 ( -1.366 -1.596 -1.698) 2.701 13.364 ( -3.035 -4.761 1.033) 5.740 13.539 ( -2.509 -5.480 3.213) 6.830 13.578 ( 4.819 -3.350 -1.703) 6.111 13.689 ( 0.118 -5.493 -0.375) 5.507 13.728 ( -3.036 -8.304 1.179) 8.920 13.861 ( -7.087 -7.646 3.455) 10.983 14.142 ( -0.018 -2.491 -0.883) 2.643 14.403 ( 0.075 1.635 -5.612) 5.846 14.465 ( 3.137 2.886 -1.556) 4.537 14.653 ( 2.674 -2.820 -0.017) 3.886 15.143 ( 5.838 7.161 2.422) 9.552 15.228 ( -2.068 4.919 -1.526) 5.550 15.290 ( -6.516 2.203 2.533) 7.329 15.469 ( -2.634 -0.012 -3.011) 4.001 15.492 ( 2.806 3.632 4.611) 6.505 15.872 ( 4.419 0.207 1.726) 4.748 15.983 ( -0.052 -3.642 -1.688) 4.015 16.092 ( -3.025 1.654 -0.021) 3.448 16.360 ( 8.629 -2.680 -0.509) 9.050 16.393 ( -1.671 -1.334 -1.071) 2.391 16.592 ( 5.017 -11.031 1.172) 12.175 17.178 ( 9.437 -1.876 -1.188) 9.695 17.764 ( 4.555 3.279 0.383) 5.625 18.431 ( -0.215 3.565 -1.747) 3.976 18.897 ( -1.763 3.485 1.819) 4.308 20.777 ( -2.287 -0.182 -0.086) 2.296 20.947 ( -3.458 -4.221 0.494) 5.479 21.147 ( -0.121 7.377 -0.078) 7.379 21.824 ( -3.604 4.873 -0.443) 6.077 ======================= Grid point 154 (70/117) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -2.453 15.697 -2.461) 16.077 1.958 ( 11.211 14.629 6.713) 19.615 2.133 ( -0.507 3.546 0.489) 3.615 2.481 ( 4.265 3.148 5.651) 7.748 2.513 ( -0.012 2.683 0.079) 2.684 2.662 ( -0.956 1.621 -7.232) 7.473 2.735 ( 7.269 1.101 -5.589) 9.235 2.974 ( -0.227 7.602 -4.478) 8.826 3.137 ( 3.192 5.599 3.887) 7.526 3.301 ( 2.857 2.589 -0.545) 3.894 3.567 ( -3.936 6.594 3.845) 8.588 3.610 ( 0.851 3.620 2.768) 4.636 3.709 ( -1.238 1.249 -4.150) 4.508 3.866 ( -0.643 -2.046 -3.033) 3.715 3.990 ( -0.699 3.668 0.034) 3.734 4.082 ( 5.316 3.718 -2.932) 7.119 4.235 ( 3.954 12.823 4.549) 14.168 4.277 ( -1.541 0.025 0.791) 1.732 4.449 ( 4.125 5.204 -1.272) 6.761 4.558 ( 0.249 -4.100 0.130) 4.110 4.590 ( 1.988 -6.711 6.411) 9.491 4.659 ( -0.795 1.985 -0.952) 2.341 4.796 ( -1.233 1.889 -6.586) 6.962 4.830 ( 2.827 -0.242 3.552) 4.546 5.101 ( 2.073 -5.037 -2.481) 5.985 5.287 ( -2.880 0.172 -0.085) 2.887 5.341 ( -5.935 3.299 -2.643) 7.286 5.627 ( -0.985 0.633 -1.334) 1.775 5.702 ( -4.330 5.076 1.076) 6.758 5.891 ( -3.053 -0.497 3.071) 4.359 6.291 ( -1.311 4.413 -0.469) 4.627 6.424 ( -0.433 2.230 1.109) 2.528 6.659 ( -3.156 -0.131 -0.737) 3.244 6.797 ( -4.223 -1.483 0.880) 4.562 7.046 ( -2.810 -13.732 -0.679) 14.033 7.142 ( -3.405 -1.128 -1.425) 3.860 7.411 ( -0.047 -1.237 -2.230) 2.551 7.817 ( -2.403 -3.310 1.464) 4.344 8.068 ( -1.883 -0.397 3.210) 3.743 8.716 ( 6.942 -8.544 4.474) 11.883 8.973 ( 1.110 -4.928 -3.300) 6.034 9.442 ( -3.238 1.189 -1.117) 3.625 9.707 ( 0.186 -0.399 -6.246) 6.261 9.791 ( 1.953 -4.265 2.443) 5.289 9.931 ( -0.278 1.420 -3.125) 3.444 10.027 ( 0.709 1.913 2.113) 2.937 10.392 ( -0.309 -0.697 -0.405) 0.863 10.598 ( 3.918 1.446 6.567) 7.782 10.927 ( -2.933 -0.644 2.209) 3.728 11.202 ( -1.614 -1.372 2.856) 3.556 11.265 ( 2.549 -2.895 1.331) 4.080 11.368 ( -1.750 -1.751 0.010) 2.476 11.589 ( -3.248 -3.592 -1.979) 5.231 11.687 ( 4.093 1.346 -1.921) 4.717 12.020 ( -6.469 2.445 -4.897) 8.474 12.057 ( 2.692 -1.082 -0.256) 2.913 12.122 ( -2.216 -0.886 -0.187) 2.394 12.392 ( 0.321 -0.912 4.619) 4.720 12.449 ( 5.654 5.730 -0.679) 8.078 12.663 ( -5.426 -0.052 -0.395) 5.440 12.802 ( -2.510 -4.833 -1.063) 5.549 13.331 ( -4.878 -2.490 -3.418) 6.457 13.461 ( -6.712 -1.564 4.295) 8.121 13.729 ( -2.759 -6.452 -2.913) 7.598 13.760 ( -7.917 -11.220 4.934) 14.592 13.771 ( 6.000 -8.550 -0.762) 10.473 13.824 ( 1.089 -2.543 1.151) 2.996 14.227 ( 3.922 -5.670 -1.339) 7.023 14.382 ( -0.685 1.029 -3.588) 3.795 14.482 ( 2.782 2.966 -1.246) 4.253 14.726 ( 2.720 -2.470 -0.327) 3.688 15.083 ( -2.729 5.499 0.656) 6.174 15.147 ( -1.481 3.627 3.552) 5.288 15.246 ( 0.185 1.828 0.118) 1.841 15.421 ( -2.454 1.677 -4.202) 5.147 15.492 ( 1.961 4.554 4.749) 6.866 15.929 ( 1.785 1.814 0.368) 2.572 16.011 ( -3.118 1.189 -0.664) 3.402 16.045 ( 3.081 -5.004 -1.100) 5.978 16.382 ( 0.916 1.266 0.288) 1.589 16.572 ( 12.453 -1.646 -0.179) 12.562 16.808 ( 5.677 -13.057 1.437) 14.310 17.364 ( 9.606 -3.313 -5.531) 11.569 17.852 ( 7.821 1.178 3.343) 8.586 18.408 ( 2.156 3.013 -1.445) 3.977 18.817 ( -3.052 4.344 1.452) 5.504 20.707 ( -4.180 3.288 -0.711) 5.365 20.888 ( -7.411 -1.631 1.610) 7.757 21.087 ( 0.813 5.415 -1.180) 5.601 21.698 ( -4.910 5.032 0.205) 7.034 ======================= Grid point 155 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.886 6.863 3.478) 9.687 2.041 ( 11.279 10.912 3.467) 16.072 2.106 ( 4.316 5.373 -0.053) 6.892 2.419 ( -0.240 6.670 -3.253) 7.425 2.594 ( 6.059 -1.481 5.745) 8.480 2.626 ( -1.132 1.098 -2.157) 2.672 2.837 ( 2.234 4.696 -2.257) 5.669 2.910 ( 8.549 5.752 -7.027) 12.472 3.149 ( -1.077 1.726 3.452) 4.007 3.315 ( 4.685 2.921 -0.382) 5.535 3.451 ( -1.886 4.605 -2.971) 5.796 3.610 ( 1.080 3.697 0.747) 3.924 3.658 ( -1.728 0.492 -3.563) 3.991 3.874 ( -1.730 0.505 -4.992) 5.308 3.977 ( 0.808 2.826 5.834) 6.533 4.136 ( 0.251 7.578 -5.599) 9.426 4.180 ( 4.593 -4.979 4.108) 7.922 4.288 ( 4.982 7.215 8.335) 12.097 4.458 ( -0.085 -0.275 -5.681) 5.688 4.600 ( 0.705 -3.083 2.108) 3.800 4.615 ( -0.237 3.029 0.327) 3.056 4.641 ( -1.872 -4.995 3.855) 6.582 4.788 ( 5.976 7.301 -2.026) 9.650 4.919 ( 2.620 -5.928 0.098) 6.482 5.124 ( -0.365 8.289 -3.240) 8.907 5.223 ( -0.560 -2.256 1.129) 2.584 5.260 ( -1.009 0.286 -1.337) 1.699 5.596 ( -3.902 -0.510 -1.723) 4.296 5.635 ( 0.349 0.431 1.824) 1.906 5.823 ( -5.029 0.908 -0.742) 5.164 6.194 ( -4.826 7.124 1.433) 8.723 6.370 ( -3.165 1.098 -1.869) 3.836 6.579 ( -3.647 2.870 6.016) 7.598 6.749 ( -3.797 -2.639 -1.461) 4.849 7.090 ( -3.229 -3.734 -3.015) 5.785 7.149 ( -2.522 -8.942 -0.142) 9.292 7.444 ( 1.085 -4.217 -2.783) 5.168 7.804 ( -3.704 -4.449 2.076) 6.150 8.037 ( -1.765 0.676 2.040) 2.781 8.900 ( 4.162 -7.177 5.228) 9.806 9.052 ( 4.392 -3.429 -3.383) 6.519 9.373 ( -3.661 1.035 2.157) 4.374 9.634 ( -7.747 0.171 -8.785) 11.714 9.884 ( 3.605 -2.712 1.488) 4.751 9.925 ( 2.502 2.430 -1.006) 3.630 10.011 ( -1.023 0.361 -0.170) 1.098 10.382 ( -0.327 1.690 -0.363) 1.760 10.626 ( -0.910 -0.536 7.468) 7.542 10.895 ( -0.424 0.916 2.489) 2.685 11.191 ( -1.055 -0.599 2.189) 2.503 11.289 ( -0.704 1.758 -1.856) 2.651 11.334 ( -3.216 -2.916 -0.989) 4.452 11.546 ( -4.639 -1.708 -2.595) 5.583 11.809 ( 6.938 -1.523 -1.195) 7.203 11.924 ( -1.278 0.594 4.079) 4.315 12.073 ( -0.002 2.278 -2.214) 3.177 12.188 ( 3.171 -9.972 0.212) 10.466 12.361 ( 0.395 4.791 0.202) 4.811 12.518 ( 6.673 7.015 1.405) 9.783 12.605 ( -3.825 -6.357 1.231) 7.521 12.769 ( -4.590 -1.272 -4.364) 6.460 13.270 ( -3.968 -0.889 -4.203) 5.848 13.383 ( -6.476 -4.291 6.037) 9.839 13.624 ( -14.615 -8.807 -0.028) 17.064 13.791 ( -0.439 -5.604 0.123) 5.622 13.855 ( -1.905 -3.698 0.235) 4.167 13.982 ( 8.925 -4.340 -0.128) 9.925 14.280 ( -2.178 -0.033 -9.741) 9.982 14.423 ( 5.236 -2.989 2.679) 6.598 14.507 ( 2.971 1.453 3.430) 4.764 14.796 ( 2.754 -2.689 1.425) 4.104 15.018 ( -0.416 1.641 4.993) 5.272 15.091 ( -1.158 5.006 0.001) 5.138 15.217 ( -2.560 -0.133 -2.003) 3.254 15.354 ( -1.434 3.260 -2.414) 4.302 15.483 ( 0.335 0.965 -0.337) 1.075 15.854 ( -3.408 6.435 -0.008) 7.282 15.993 ( -0.309 -1.119 0.610) 1.311 16.187 ( 7.228 -3.760 0.668) 8.174 16.388 ( 1.630 2.814 -0.455) 3.284 16.767 ( 8.975 -0.804 0.197) 9.013 17.007 ( 3.167 -10.800 -0.685) 11.276 17.556 ( 9.140 -4.523 -5.236) 11.463 17.951 ( 3.349 -0.220 4.184) 5.364 18.455 ( 5.380 1.311 -0.371) 5.550 18.729 ( -2.399 3.018 0.384) 3.874 20.594 ( -3.413 5.312 -0.870) 6.374 20.743 ( -8.150 3.501 1.512) 8.998 21.067 ( 1.386 2.521 -1.625) 3.305 21.586 ( -3.696 2.482 1.136) 4.594 ======================= Grid point 161 (72/117) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.068 -0.000 -5.669) 5.669 2.097 ( -0.259 -0.000 9.803) 9.806 2.184 ( 4.014 -0.000 -1.076) 4.156 2.506 ( -4.250 -0.000 11.618) 12.371 2.699 ( 0.407 -0.000 -15.604) 15.610 2.728 ( -2.299 -0.000 -4.912) 5.424 2.934 ( 0.917 -0.000 -6.543) 6.606 3.011 ( -3.231 -0.000 -2.609) 4.153 3.103 ( -0.772 0.000 -3.637) 3.718 3.414 ( 0.218 -0.000 4.391) 4.397 3.474 ( 4.314 -0.000 15.236) 15.835 3.624 ( 0.018 -0.000 -2.953) 2.953 3.995 ( 2.937 -0.000 4.005) 4.966 4.016 ( -7.013 -0.000 7.752) 10.453 4.113 ( -0.939 0.000 -0.832) 1.254 4.117 ( 5.358 -0.000 -7.097) 8.893 4.145 ( 4.798 -0.000 2.775) 5.543 4.361 ( -5.602 -0.000 3.797) 6.768 4.380 ( 0.825 0.000 3.762) 3.852 4.517 ( 1.024 -0.000 -0.280) 1.062 4.604 ( 3.662 -0.000 0.736) 3.736 4.704 ( 2.335 -0.000 -7.144) 7.516 4.809 ( -3.004 -0.000 -2.251) 3.754 5.024 ( 0.165 -0.000 -1.642) 1.650 5.062 ( -1.217 -0.000 -6.733) 6.842 5.101 ( -2.169 0.000 0.762) 2.299 5.437 ( -0.682 -0.000 8.607) 8.634 5.681 ( -0.397 -0.000 -0.447) 0.597 5.916 ( 2.260 -0.000 -2.592) 3.439 6.019 ( -3.855 -0.000 -0.756) 3.928 6.223 ( 1.067 -0.000 -0.431) 1.151 6.407 ( 0.203 -0.000 -9.842) 9.844 6.548 ( 1.819 -0.000 -0.933) 2.045 6.866 ( -0.374 -0.000 5.695) 5.708 6.976 ( -1.043 -0.000 6.692) 6.773 7.349 ( 0.534 0.000 -4.048) 4.083 7.383 ( 0.029 -0.000 -0.105) 0.109 7.821 ( -0.212 -0.000 -1.839) 1.852 8.083 ( -0.113 -0.000 4.802) 4.803 8.375 ( -0.013 -0.000 3.670) 3.670 8.747 ( 1.735 -0.000 -3.580) 3.978 9.555 ( -1.453 0.000 -4.178) 4.424 9.580 ( -2.278 -0.000 1.100) 2.530 9.775 ( -0.418 -0.000 2.106) 2.147 9.967 ( 0.592 -0.000 -2.725) 2.789 10.119 ( -0.277 -0.000 -1.863) 1.884 10.223 ( 0.758 0.000 2.042) 2.178 10.489 ( 3.511 -0.000 7.443) 8.230 10.901 ( 0.229 -0.000 4.698) 4.703 11.119 ( 3.437 -0.000 3.721) 5.066 11.238 ( -2.985 -0.000 -0.813) 3.094 11.256 ( -2.994 -0.000 -5.203) 6.003 11.642 ( 2.319 -0.000 1.451) 2.736 11.694 ( -0.559 -0.000 -3.870) 3.910 11.883 ( -2.247 -0.000 -7.950) 8.262 12.189 ( 3.717 -0.000 3.168) 4.884 12.275 ( 2.340 -0.000 0.234) 2.351 12.379 ( -1.440 -0.000 1.529) 2.100 12.458 ( -0.994 -0.000 -2.275) 2.483 12.747 ( -2.879 -0.000 -5.277) 6.011 13.046 ( -0.125 -0.000 -3.932) 3.934 13.188 ( 3.607 -0.000 6.081) 7.070 13.300 ( -4.196 -0.000 1.866) 4.592 13.482 ( 3.431 -0.000 2.220) 4.086 13.574 ( -1.754 -0.000 -2.576) 3.117 13.744 ( -2.984 -0.000 2.327) 3.784 13.807 ( 0.903 -0.000 4.643) 4.730 14.136 ( 3.114 -0.000 -4.572) 5.532 14.449 ( 1.705 -0.000 -1.635) 2.362 14.489 ( -4.499 -0.000 -2.128) 4.977 14.574 ( -0.474 -0.000 -1.557) 1.628 15.127 ( 2.272 -0.000 2.048) 3.059 15.367 ( 1.578 -0.000 -2.924) 3.323 15.452 ( 8.524 -0.000 4.884) 9.824 15.474 ( -2.574 -0.000 -0.833) 2.705 15.545 ( -10.163 -0.000 0.479) 10.174 15.828 ( -0.899 -0.000 2.591) 2.743 15.899 ( 1.277 -0.000 3.240) 3.482 16.130 ( 1.775 -0.000 -4.608) 4.938 16.239 ( 1.647 -0.000 2.089) 2.660 16.339 ( -3.059 -0.000 -0.522) 3.103 16.420 ( 0.196 -0.000 -1.302) 1.317 17.061 ( 2.469 -0.000 0.576) 2.536 17.792 ( -0.953 -0.000 -0.811) 1.251 18.498 ( -0.620 -0.000 -1.740) 1.847 18.958 ( 0.409 -0.000 1.797) 1.843 20.775 ( -0.221 -0.000 0.903) 0.929 20.898 ( 0.075 -0.000 -0.804) 0.807 21.279 ( -0.100 -0.000 0.332) 0.347 21.930 ( 0.069 -0.000 -0.322) 0.329 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -0.289 0.894 -5.119) 5.205 2.110 ( 4.677 4.463 8.125) 10.383 2.271 ( 1.845 -0.855 -0.660) 2.138 2.459 ( 0.679 -0.492 8.330) 8.372 2.630 ( -4.390 6.273 -2.002) 7.914 2.698 ( -0.012 0.310 -14.732) 14.735 2.864 ( -3.248 5.301 -5.807) 8.507 3.015 ( 4.402 3.541 -1.163) 5.768 3.142 ( 0.692 -7.012 -0.947) 7.109 3.391 ( 2.209 6.486 6.203) 9.242 3.574 ( 4.142 -1.839 7.463) 8.732 3.643 ( 1.189 -1.967 -0.981) 2.499 3.843 ( -10.617 2.387 2.991) 11.285 4.027 ( 0.462 3.073 1.018) 3.270 4.088 ( 0.064 2.772 1.627) 3.215 4.152 ( 0.978 3.786 -5.326) 6.607 4.268 ( 0.621 -1.585 6.723) 6.935 4.273 ( -0.307 -6.776 -0.440) 6.797 4.408 ( 1.029 -2.111 3.804) 4.470 4.535 ( -4.263 3.255 -3.799) 6.573 4.631 ( 3.214 2.643 2.377) 4.792 4.694 ( -0.446 -1.042 -4.041) 4.197 4.785 ( 0.614 -2.303 -1.164) 2.653 4.941 ( 1.774 13.059 -0.951) 13.213 4.993 ( -1.506 1.029 -1.143) 2.153 5.198 ( 1.217 -7.190 -2.547) 7.724 5.431 ( -1.989 -0.980 3.771) 4.375 5.659 ( -1.573 -1.024 0.590) 1.968 5.915 ( -1.092 1.316 -2.204) 2.790 5.959 ( -2.354 3.108 -0.842) 3.989 6.288 ( 2.841 -4.330 -0.856) 5.249 6.414 ( -0.075 -1.386 -6.830) 6.970 6.571 ( 0.819 -0.688 -2.334) 2.568 6.824 ( -4.317 0.038 4.727) 6.402 6.932 ( -4.716 -0.899 6.336) 7.949 7.288 ( -4.415 3.415 -2.627) 6.169 7.391 ( -0.893 -1.568 -0.901) 2.017 7.814 ( -0.352 0.425 -0.865) 1.026 8.075 ( -1.074 -0.282 3.947) 4.100 8.431 ( 4.777 -2.910 3.455) 6.574 8.801 ( 2.882 -2.662 -2.971) 4.921 9.501 ( -4.212 -0.258 -3.418) 5.431 9.605 ( 3.538 -1.638 -0.315) 3.911 9.751 ( -2.465 -0.162 1.608) 2.948 9.970 ( 0.289 0.631 -2.440) 2.537 10.109 ( 3.532 6.229 1.319) 7.281 10.276 ( 0.647 -6.294 -0.008) 6.327 10.564 ( 4.822 0.451 5.616) 7.415 10.924 ( 1.377 -0.583 6.553) 6.721 11.170 ( 3.723 2.424 1.763) 4.779 11.186 ( -2.860 -0.976 -2.789) 4.112 11.258 ( 0.305 -4.977 -0.706) 5.036 11.622 ( -3.903 0.493 1.419) 4.183 11.692 ( 0.359 0.020 -3.679) 3.697 11.869 ( -0.977 -3.026 -9.928) 10.425 12.231 ( 0.553 3.031 -1.565) 3.456 12.270 ( -2.616 0.920 -1.044) 2.963 12.352 ( 1.031 1.130 4.530) 4.782 12.443 ( -1.029 -1.851 2.360) 3.171 12.709 ( -2.335 -1.014 -2.754) 3.750 12.949 ( -0.752 11.564 -4.517) 12.438 13.266 ( -1.980 -3.807 3.506) 5.541 13.326 ( -0.125 -12.637 4.804) 13.520 13.533 ( 2.735 -0.559 -2.453) 3.716 13.580 ( 0.012 -3.879 -2.415) 4.569 13.664 ( -5.786 -0.293 3.651) 6.848 13.796 ( -2.473 -0.804 3.440) 4.313 14.112 ( -2.951 -0.735 -0.942) 3.184 14.428 ( 0.015 0.726 -4.817) 4.872 14.530 ( 4.269 3.227 -1.779) 5.639 14.598 ( 2.364 -2.833 -1.104) 3.852 15.241 ( 10.436 2.292 2.212) 10.912 15.306 ( -6.753 2.461 -2.076) 7.481 15.342 ( -9.309 2.986 0.993) 9.826 15.437 ( -3.019 -2.564 -1.801) 4.351 15.554 ( 4.377 1.796 6.753) 8.245 15.884 ( 3.498 0.970 2.041) 4.165 15.915 ( 0.939 -2.444 1.016) 2.809 16.133 ( -5.012 2.398 -2.327) 6.023 16.252 ( 6.460 -4.705 -3.094) 8.570 16.401 ( 5.939 -2.117 2.457) 6.766 16.456 ( 3.496 -1.109 -0.249) 3.676 17.161 ( 8.490 -0.232 -1.222) 8.581 17.808 ( 3.534 1.109 0.122) 3.705 18.479 ( -0.761 1.234 -1.622) 2.175 18.942 ( -1.787 1.090 1.704) 2.699 20.762 ( -1.749 -0.642 0.667) 1.979 20.889 ( -2.188 -1.511 -0.539) 2.713 21.253 ( -1.240 2.836 0.216) 3.103 21.891 ( -3.554 1.770 -0.250) 3.978 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -2.446 5.809 -5.088) 8.100 2.171 ( 8.899 6.832 5.831) 12.644 2.206 ( -3.944 3.191 2.608) 5.705 2.527 ( -0.515 3.719 4.086) 5.549 2.582 ( 9.593 2.044 1.821) 9.976 2.676 ( -1.290 0.678 -11.720) 11.810 2.773 ( -0.705 3.116 -5.805) 6.626 3.053 ( 1.880 0.112 -2.376) 3.032 3.233 ( 5.158 0.258 2.826) 5.887 3.350 ( -0.038 5.449 2.037) 5.818 3.629 ( -8.111 0.419 4.427) 9.250 3.656 ( 2.375 0.532 4.947) 5.513 3.707 ( 1.774 -0.006 -4.033) 4.406 3.918 ( -4.475 7.265 -7.161) 11.139 4.048 ( -2.648 1.917 2.089) 3.879 4.129 ( -0.422 0.228 2.332) 2.381 4.244 ( -2.809 -2.200 2.494) 4.353 4.362 ( -1.233 0.970 -1.945) 2.499 4.423 ( 0.234 -3.529 1.711) 3.929 4.503 ( 5.983 -2.997 2.972) 7.322 4.637 ( -5.590 -0.364 0.165) 5.604 4.694 ( 4.841 4.593 4.632) 8.123 4.777 ( -5.166 1.308 -7.757) 9.411 4.905 ( 6.982 7.150 2.757) 10.367 5.024 ( 4.447 -3.309 1.451) 5.730 5.243 ( -3.016 -4.945 -3.813) 6.934 5.391 ( -0.520 3.586 -0.531) 3.662 5.650 ( -1.056 0.423 -0.465) 1.229 5.850 ( -4.041 7.629 -0.562) 8.652 5.882 ( -1.668 0.179 -0.126) 1.682 6.325 ( -1.846 -0.315 -4.667) 5.029 6.439 ( 0.413 -1.493 1.986) 2.518 6.593 ( -1.140 -4.243 -4.368) 6.196 6.758 ( -4.486 -2.282 2.177) 5.484 6.863 ( -5.800 -4.221 5.334) 8.939 7.156 ( -7.395 1.534 -1.930) 7.795 7.393 ( 0.182 -0.768 -0.741) 1.083 7.798 ( -1.055 0.580 0.559) 1.327 8.061 ( -0.981 -0.202 2.327) 2.533 8.582 ( 8.007 -4.900 3.640) 10.069 8.881 ( 3.106 -3.575 -2.367) 5.294 9.429 ( -5.532 -2.080 -2.804) 6.542 9.692 ( -1.245 -0.576 -1.876) 2.324 9.715 ( 2.525 -2.601 1.520) 3.931 9.967 ( 0.846 1.331 -2.295) 2.784 10.105 ( 2.276 5.763 1.228) 6.317 10.351 ( 2.316 -3.689 0.490) 4.384 10.625 ( 2.939 1.160 3.672) 4.844 10.942 ( 1.035 1.883 6.708) 7.044 11.167 ( -1.111 -1.935 -0.679) 2.332 11.203 ( 0.003 -2.516 -0.980) 2.700 11.344 ( 5.037 -1.316 3.577) 6.317 11.538 ( -5.836 -1.648 -0.814) 6.118 11.708 ( 2.299 0.392 -4.137) 4.749 11.889 ( -1.918 -6.537 -11.255) 13.157 12.138 ( -6.263 4.511 -0.983) 7.781 12.173 ( -3.926 2.702 -3.243) 5.765 12.404 ( 3.684 1.512 9.109) 9.941 12.490 ( 4.967 -1.591 4.230) 6.715 12.676 ( -2.414 0.462 0.380) 2.487 12.842 ( 0.792 8.631 -5.977) 10.529 13.262 ( -3.455 -4.266 0.647) 5.527 13.388 ( -6.203 -7.906 2.365) 10.323 13.546 ( -9.439 -5.007 1.968) 10.865 13.603 ( -0.631 -6.275 -1.139) 6.409 13.637 ( 2.128 -4.562 -0.450) 5.054 13.821 ( 6.573 0.438 1.170) 6.690 14.136 ( 3.102 -3.366 1.267) 4.749 14.407 ( -1.186 1.462 -3.213) 3.724 14.548 ( 2.646 3.199 -2.733) 4.971 14.678 ( 3.286 -2.395 -1.107) 4.214 15.148 ( -8.621 1.501 2.118) 9.004 15.197 ( -4.694 1.283 -2.895) 5.662 15.315 ( 0.766 3.952 -0.025) 4.026 15.440 ( 0.832 0.912 0.649) 1.394 15.600 ( 4.251 5.097 6.541) 9.318 15.894 ( 0.073 -5.049 6.306) 8.079 15.985 ( 3.095 0.279 -4.016) 5.078 16.032 ( -4.031 0.316 -4.897) 6.350 16.397 ( 5.088 0.603 0.906) 5.203 16.555 ( 9.733 -0.322 -1.782) 9.900 16.591 ( 9.223 -8.520 2.706) 12.845 17.321 ( 9.701 -1.165 -4.185) 10.629 17.881 ( 6.293 1.289 2.230) 6.799 18.455 ( 0.008 1.631 -1.277) 2.071 18.881 ( -3.600 2.137 1.424) 4.422 20.725 ( -3.491 -0.382 0.086) 3.513 20.849 ( -4.713 -1.732 0.167) 5.024 21.193 ( -1.350 4.329 -0.188) 4.538 21.785 ( -5.849 3.316 0.023) 6.724 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.381 9.686 -2.726) 10.157 2.144 ( -1.106 2.388 3.386) 4.289 2.261 ( 9.717 7.028 3.603) 12.522 2.510 ( -1.837 -0.079 0.912) 2.053 2.617 ( 4.584 7.359 3.933) 9.520 2.646 ( -1.276 0.777 -7.412) 7.561 2.852 ( 7.364 -1.633 -2.672) 8.002 3.061 ( 3.048 4.576 -5.216) 7.578 3.228 ( -1.477 6.952 2.515) 7.539 3.351 ( 3.755 1.298 2.864) 4.898 3.506 ( -3.525 0.454 -2.444) 4.313 3.659 ( -3.136 1.228 -5.823) 6.727 3.693 ( 1.308 4.816 1.159) 5.123 3.869 ( -0.747 -0.231 -3.024) 3.124 4.004 ( 0.808 -1.432 4.299) 4.603 4.105 ( -5.614 -1.356 4.898) 7.573 4.179 ( -4.975 -1.689 -0.451) 5.273 4.384 ( 3.951 -0.017 3.558) 5.317 4.465 ( -1.665 -1.664 -2.674) 3.562 4.521 ( -4.045 0.800 -0.870) 4.215 4.598 ( 2.015 -0.216 0.079) 2.028 4.712 ( 0.793 3.355 1.818) 3.897 4.756 ( 1.688 -6.980 1.760) 7.394 4.944 ( 6.761 6.925 2.481) 9.991 5.146 ( 1.910 -3.724 -3.191) 5.263 5.239 ( 1.840 -2.192 2.518) 3.812 5.337 ( 1.671 9.348 -3.267) 10.042 5.602 ( -2.776 1.838 -3.864) 5.100 5.711 ( -3.640 6.250 3.158) 7.892 5.838 ( -3.740 0.874 -1.948) 4.307 6.274 ( -3.473 1.474 -1.213) 3.963 6.392 ( -6.780 0.305 -1.252) 6.902 6.583 ( -4.209 -3.385 1.950) 5.743 6.693 ( -5.821 -1.701 1.975) 6.378 6.906 ( 1.493 -10.885 -0.558) 11.001 7.054 ( -4.520 -2.082 -0.734) 5.030 7.416 ( 1.820 -0.300 -1.117) 2.156 7.770 ( -1.335 0.688 0.830) 1.716 8.046 ( -0.884 0.381 1.225) 1.558 8.772 ( 7.755 -5.380 4.618) 10.508 8.979 ( 4.912 -3.513 -2.580) 6.568 9.360 ( -5.285 -2.405 -1.635) 6.032 9.613 ( -7.211 -1.304 -0.733) 7.365 9.821 ( 4.259 -2.913 -0.433) 5.178 9.973 ( 1.941 1.994 -0.874) 2.917 10.066 ( -0.297 4.338 -2.413) 4.973 10.410 ( 2.312 0.836 1.583) 2.924 10.630 ( -1.494 0.913 4.007) 4.373 10.936 ( 1.334 3.122 6.059) 6.946 11.167 ( -1.318 -1.609 2.638) 3.359 11.229 ( -0.252 -3.795 -1.753) 4.188 11.375 ( -1.424 2.921 -3.026) 4.441 11.501 ( -1.797 -2.946 0.544) 3.493 11.777 ( 5.957 -1.257 -3.420) 6.984 11.930 ( -0.977 -6.692 -10.777) 12.723 11.993 ( -6.615 0.432 3.571) 7.530 12.121 ( 0.089 -0.032 -2.289) 2.291 12.448 ( 4.975 3.767 8.798) 10.787 12.591 ( 1.626 2.536 4.227) 5.191 12.627 ( 4.364 3.788 0.551) 5.805 12.797 ( 0.981 4.684 -5.690) 7.435 13.232 ( -3.764 -2.531 -2.968) 5.420 13.314 ( -7.825 -3.133 2.263) 8.727 13.435 ( -11.452 -8.353 2.198) 14.344 13.668 ( 0.580 -7.185 -1.580) 7.380 13.743 ( 1.910 -6.467 0.138) 6.745 13.953 ( 8.778 0.449 -0.545) 8.807 14.239 ( 3.166 -3.488 -3.959) 6.153 14.382 ( 0.631 -0.311 3.998) 4.060 14.561 ( 2.806 3.084 -0.668) 4.223 14.749 ( 2.805 -2.226 -0.235) 3.589 15.026 ( -5.341 -0.560 4.337) 6.903 15.149 ( -0.795 0.353 -4.672) 4.752 15.242 ( -5.247 1.560 -3.603) 6.553 15.411 ( -0.627 3.936 1.158) 4.150 15.559 ( -1.678 5.717 6.313) 8.681 15.966 ( -0.419 3.682 -0.353) 3.722 15.972 ( -0.819 -0.913 -1.176) 1.699 16.073 ( 7.019 -6.351 -0.707) 9.492 16.440 ( 2.484 2.434 1.274) 3.703 16.698 ( 4.426 -5.754 -1.544) 7.422 16.862 ( 13.173 -3.776 0.796) 13.727 17.493 ( 9.187 -2.014 -4.861) 10.588 17.966 ( 4.550 1.375 3.441) 5.868 18.464 ( 2.492 -0.022 -0.415) 2.527 18.789 ( -4.336 2.588 0.672) 5.094 20.653 ( -4.666 0.984 -0.524) 4.797 20.765 ( -6.579 -0.323 0.932) 6.652 21.135 ( -0.477 3.754 -0.830) 3.874 21.651 ( -5.594 3.501 0.546) 6.622 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 2.580 3.917 2.203) 5.182 2.097 ( -1.551 3.490 2.004) 4.313 2.350 ( 6.898 3.651 2.029) 8.064 2.463 ( -0.599 1.968 -0.709) 2.176 2.590 ( -2.084 1.082 0.522) 2.405 2.683 ( 3.860 0.190 0.746) 3.936 2.922 ( 2.392 1.731 -1.369) 3.254 3.108 ( -0.539 5.464 -0.995) 5.580 3.137 ( 6.323 4.773 -1.545) 8.071 3.372 ( 0.433 -0.211 -2.887) 2.927 3.497 ( 2.442 2.900 -1.598) 4.114 3.602 ( -0.394 2.403 -7.280) 7.676 3.677 ( 0.030 1.254 4.891) 5.050 3.811 ( -6.027 -2.075 -7.669) 9.972 3.918 ( -9.032 2.547 3.169) 9.905 4.113 ( 2.102 -3.567 6.898) 8.045 4.163 ( -2.405 -2.862 2.594) 4.550 4.358 ( -4.107 0.703 -2.778) 5.008 4.483 ( 1.748 -2.479 -3.899) 4.940 4.533 ( 1.422 -6.579 3.851) 7.755 4.651 ( 2.661 2.643 -1.785) 4.154 4.694 ( 3.074 4.518 6.055) 8.156 4.819 ( -1.238 -4.655 0.296) 4.826 5.029 ( 7.603 1.095 2.959) 8.232 5.139 ( -3.394 -0.567 -1.196) 3.643 5.262 ( 5.692 7.287 -4.205) 10.158 5.400 ( 12.308 4.691 2.971) 13.503 5.545 ( -2.615 -1.080 -3.661) 4.627 5.601 ( -6.612 0.643 3.284) 7.410 5.743 ( -4.810 1.957 -4.738) 7.030 6.093 ( -14.352 3.504 0.684) 14.789 6.322 ( -1.486 -1.422 -2.562) 3.285 6.536 ( -3.628 0.283 7.533) 8.366 6.654 ( -2.370 -5.232 -1.757) 6.006 7.004 ( -1.341 -3.344 -0.089) 3.604 7.072 ( 2.288 -6.296 -0.732) 6.738 7.450 ( 2.128 0.173 -1.994) 2.921 7.751 ( -0.210 0.162 -0.064) 0.273 8.026 ( -0.590 0.965 0.894) 1.442 8.919 ( 4.214 -3.262 4.455) 6.946 9.106 ( 5.185 -2.757 -0.880) 5.938 9.308 ( -2.703 -1.523 1.021) 3.266 9.493 ( -7.416 -0.811 -5.700) 9.388 9.907 ( 2.457 -3.301 2.659) 4.899 9.979 ( 0.618 2.315 1.248) 2.701 10.038 ( 2.142 2.717 -4.322) 5.536 10.403 ( -0.734 3.009 -1.962) 3.666 10.571 ( -4.456 0.060 5.362) 6.972 10.934 ( 1.731 2.754 6.726) 7.471 11.165 ( -0.679 -1.725 2.307) 2.959 11.266 ( 0.513 -3.113 -1.471) 3.481 11.296 ( -3.373 2.555 -4.240) 5.990 11.484 ( -1.467 0.409 -2.604) 3.017 11.857 ( -2.468 2.039 1.872) 3.708 11.898 ( -0.842 -5.085 -1.621) 5.404 12.023 ( 2.816 -5.419 -7.153) 9.405 12.190 ( 3.962 -5.520 1.515) 6.962 12.502 ( 7.689 8.096 7.172) 13.270 12.538 ( -0.918 1.927 2.690) 3.434 12.682 ( 1.369 5.975 4.948) 7.878 12.778 ( 5.115 4.221 -9.510) 11.594 13.204 ( -2.711 -2.929 -2.944) 4.959 13.213 ( -8.408 -3.073 1.292) 9.045 13.336 ( -8.121 -5.570 1.202) 9.921 13.748 ( 1.559 -4.534 -1.241) 4.952 13.800 ( -0.383 -2.945 -0.562) 3.023 14.081 ( 5.158 -1.517 -1.756) 5.656 14.254 ( -1.296 0.848 -7.948) 8.098 14.481 ( 6.058 -5.026 8.769) 11.784 14.582 ( 3.429 2.792 3.848) 5.862 14.820 ( 2.829 -2.191 2.275) 4.240 14.978 ( -3.915 -2.867 4.931) 6.919 15.106 ( -2.982 3.759 -3.053) 5.687 15.156 ( -2.607 -1.089 -7.618) 8.125 15.383 ( 1.863 2.237 0.506) 2.955 15.468 ( -4.232 2.402 0.276) 4.874 15.880 ( -2.718 6.809 -1.301) 7.446 15.985 ( 1.557 -1.265 3.889) 4.376 16.258 ( 6.393 -5.398 0.802) 8.405 16.431 ( -0.400 2.916 -1.174) 3.169 16.806 ( 1.160 -6.319 -3.460) 7.297 17.059 ( 8.143 0.605 1.301) 8.268 17.652 ( 7.011 -2.597 -3.496) 8.253 17.994 ( 0.915 2.022 3.754) 4.360 18.529 ( 3.411 -1.571 0.514) 3.791 18.701 ( -3.453 1.445 -0.534) 3.781 20.568 ( -3.425 1.359 -0.623) 3.737 20.655 ( -5.409 1.102 0.989) 5.609 21.105 ( 0.318 2.072 -1.328) 2.482 21.549 ( -3.267 1.939 1.115) 3.959 ======================= Grid point 173 (77/117) ======================= q-point: (-0.40 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -0.489 -0.000 -4.500) 4.526 2.236 ( 7.444 0.000 7.633) 10.662 2.236 ( -4.453 -0.000 3.419) 5.615 2.578 ( -3.415 -0.000 1.690) 3.810 2.598 ( 12.333 0.000 -2.827) 12.653 2.683 ( -1.322 -0.000 -12.945) 13.012 2.847 ( -1.377 -0.000 -4.621) 4.822 3.012 ( -3.221 -0.000 -2.803) 4.270 3.212 ( 9.492 0.000 4.169) 10.367 3.437 ( -0.710 -0.000 4.814) 4.866 3.632 ( -6.578 -0.000 3.490) 7.446 3.644 ( 4.066 0.000 4.959) 6.413 3.716 ( -0.108 -0.000 -1.865) 1.868 4.023 ( -3.290 -0.000 -5.700) 6.581 4.072 ( -8.595 -0.000 -3.463) 9.267 4.115 ( 0.325 0.000 7.553) 7.560 4.235 ( -1.758 -0.000 2.333) 2.921 4.295 ( 1.940 0.000 1.325) 2.349 4.462 ( 4.976 0.000 5.510) 7.424 4.478 ( -6.492 -0.000 -3.048) 7.172 4.544 ( -6.100 -0.000 -6.443) 8.873 4.731 ( 4.120 0.000 4.765) 6.299 4.837 ( 3.722 0.000 -4.605) 5.921 4.966 ( -2.516 -0.000 1.832) 3.113 5.067 ( 3.825 0.000 2.136) 4.380 5.131 ( -1.734 -0.000 -1.580) 2.346 5.444 ( 2.766 0.000 1.850) 3.328 5.642 ( 0.738 0.000 -0.174) 0.758 5.891 ( -1.640 -0.000 -2.177) 2.726 5.935 ( -3.865 -0.000 -3.087) 4.947 6.303 ( 0.063 0.000 -3.621) 3.621 6.424 ( 2.603 0.000 -4.350) 5.069 6.544 ( -3.786 -0.000 -0.860) 3.883 6.734 ( -5.482 -0.000 4.179) 6.893 6.826 ( -7.169 -0.000 6.146) 9.443 7.175 ( -9.808 -0.000 -2.670) 10.165 7.384 ( 0.674 0.000 0.095) 0.680 7.809 ( -0.482 -0.000 0.260) 0.548 8.060 ( -0.616 -0.000 2.115) 2.203 8.531 ( 8.513 0.000 3.146) 9.076 8.845 ( 4.014 0.000 -2.118) 4.539 9.400 ( -6.607 -0.000 -2.230) 6.974 9.685 ( 6.023 0.000 -3.012) 6.734 9.692 ( -4.620 -0.000 2.335) 5.176 9.978 ( 0.712 0.000 -1.174) 1.373 10.212 ( -2.019 -0.000 -1.315) 2.409 10.268 ( 8.402 0.000 3.153) 8.974 10.638 ( 2.961 0.000 2.439) 3.836 10.972 ( 3.325 0.000 10.299) 10.823 11.140 ( -1.578 -0.000 -2.586) 3.029 11.178 ( -1.180 -0.000 -4.323) 4.481 11.326 ( 7.617 0.000 4.615) 8.906 11.522 ( -7.254 -0.000 0.707) 7.288 11.709 ( 1.895 0.000 -4.587) 4.963 11.824 ( -2.382 -0.000 -12.387) 12.613 12.188 ( -6.883 -0.000 -1.664) 7.081 12.205 ( -5.377 -0.000 -3.235) 6.275 12.440 ( 2.505 0.000 5.803) 6.320 12.442 ( 8.305 0.000 8.178) 11.655 12.686 ( -0.125 -0.000 -1.817) 1.821 12.992 ( -2.135 -0.000 -5.345) 5.756 13.204 ( -3.167 -0.000 4.605) 5.589 13.242 ( -0.269 -0.000 -0.046) 0.273 13.513 ( -7.827 -0.000 0.889) 7.878 13.546 ( -5.538 -0.000 -0.199) 5.542 13.586 ( 2.557 0.000 -0.439) 2.594 13.826 ( 7.214 0.000 1.119) 7.301 14.101 ( 2.454 0.000 1.956) 3.138 14.425 ( -0.930 -0.000 -3.625) 3.742 14.590 ( 1.175 0.000 -1.598) 1.983 14.644 ( 4.641 0.000 -2.134) 5.108 15.161 ( -9.999 -0.000 0.465) 10.010 15.207 ( -6.225 -0.000 -1.586) 6.424 15.358 ( -4.973 -0.000 -4.282) 6.562 15.453 ( 7.564 0.000 5.337) 9.257 15.662 ( 9.256 0.000 5.358) 10.694 15.825 ( -6.563 -0.000 9.469) 11.521 15.999 ( 4.729 0.000 -4.942) 6.840 16.029 ( -4.727 -0.000 -6.749) 8.239 16.426 ( 11.444 0.000 0.815) 11.473 16.466 ( 3.509 0.000 3.841) 5.203 16.565 ( 11.210 0.000 -2.105) 11.406 17.311 ( 9.626 0.000 -3.773) 10.339 17.895 ( 5.880 0.000 1.934) 6.190 18.471 ( -0.733 -0.000 -1.190) 1.398 18.902 ( -3.703 -0.000 1.376) 3.950 20.719 ( -3.201 -0.000 0.496) 3.239 20.831 ( -3.952 -0.000 -0.384) 3.970 21.238 ( -2.106 -0.000 -0.042) 2.106 21.819 ( -6.003 -0.000 0.028) 6.003 ======================= Grid point 175 (78/117) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -2.533 3.382 -4.936) 6.497 2.176 ( -1.757 0.844 3.986) 4.437 2.348 ( 6.018 1.963 4.569) 7.807 2.501 ( -3.540 0.014 1.633) 3.899 2.654 ( -0.721 0.280 -8.326) 8.361 2.797 ( 0.148 3.524 -2.666) 4.421 2.830 ( 11.848 5.819 -0.876) 13.229 3.022 ( 1.643 -7.276 -3.748) 8.348 3.354 ( -6.531 3.079 3.433) 7.995 3.373 ( 8.913 0.731 5.364) 10.429 3.521 ( -2.732 2.070 2.241) 4.095 3.678 ( 0.129 0.888 -1.375) 1.642 3.789 ( 5.217 1.700 -1.220) 5.622 3.910 ( -4.443 4.040 -6.226) 8.650 3.946 ( -7.196 -2.011 -1.142) 7.559 4.088 ( -5.489 -0.127 6.239) 8.311 4.167 ( -3.098 1.579 4.420) 5.624 4.329 ( -4.333 -8.614 1.483) 9.756 4.395 ( -1.814 -1.552 -2.694) 3.599 4.464 ( -2.853 -2.073 -6.605) 7.487 4.606 ( 6.344 -1.404 9.414) 11.439 4.761 ( -2.780 7.687 -9.471) 12.510 4.796 ( 3.456 3.055 6.379) 7.872 4.947 ( -3.397 -6.924 -6.287) 9.950 5.108 ( 1.171 0.244 5.637) 5.762 5.207 ( 9.100 -0.268 7.529) 11.814 5.488 ( 4.738 4.775 -1.891) 6.988 5.641 ( -1.826 1.255 -2.789) 3.562 5.822 ( -6.563 3.104 -4.015) 8.297 5.861 ( -2.133 1.508 -0.830) 2.741 6.270 ( -3.663 -1.249 -4.753) 6.129 6.401 ( -8.447 1.831 -0.304) 8.648 6.480 ( -5.059 -5.227 -0.891) 7.329 6.691 ( -3.783 0.979 5.177) 6.486 6.745 ( 0.306 -5.177 2.422) 5.724 7.025 ( -6.716 -0.786 -1.583) 6.945 7.411 ( 2.587 -0.167 -0.007) 2.592 7.798 ( -0.010 1.246 0.445) 1.323 8.054 ( -0.236 0.279 0.879) 0.952 8.697 ( 9.476 -2.032 3.416) 10.276 8.930 ( 5.716 -1.222 -2.217) 6.251 9.304 ( -5.830 -2.163 -2.541) 6.717 9.601 ( -6.505 -0.062 3.868) 7.568 9.779 ( 4.365 -1.196 -3.022) 5.442 9.996 ( 1.688 0.437 -0.010) 1.744 10.151 ( -2.282 3.106 -3.843) 5.443 10.410 ( 6.059 -0.529 4.299) 7.448 10.651 ( -1.212 0.787 1.386) 2.002 11.004 ( 1.700 2.796 9.571) 10.114 11.136 ( -0.193 -1.129 -0.234) 1.169 11.175 ( 0.250 -1.525 -3.290) 3.635 11.407 ( -4.765 0.214 -1.983) 5.165 11.452 ( 4.420 -1.152 2.607) 5.259 11.758 ( 3.566 -0.369 -5.876) 6.883 11.795 ( -1.545 -4.350 -9.996) 11.010 12.053 ( -7.028 2.838 1.231) 7.679 12.112 ( -4.538 -0.767 -2.137) 5.075 12.516 ( 7.646 2.571 8.335) 11.599 12.608 ( 8.886 -0.544 8.839) 12.545 12.694 ( 3.386 2.603 -2.202) 4.805 12.909 ( -3.125 3.879 -4.542) 6.741 13.184 ( -1.580 -1.485 -0.588) 2.246 13.255 ( -1.740 -1.399 -2.668) 3.479 13.351 ( -9.711 -1.298 2.798) 10.189 13.519 ( -0.833 -6.089 -1.494) 6.324 13.646 ( 2.761 -2.830 -0.122) 3.956 13.965 ( 8.083 0.408 -1.135) 8.173 14.180 ( 5.167 -1.757 0.998) 5.548 14.398 ( -1.178 1.058 0.978) 1.861 14.607 ( 1.886 1.298 -0.285) 2.307 14.712 ( 3.124 -1.170 -0.564) 3.383 15.011 ( -7.927 -0.587 1.024) 8.014 15.140 ( -2.056 -0.510 -3.551) 4.134 15.249 ( -7.524 -0.232 -5.651) 9.412 15.500 ( 1.250 3.401 5.406) 6.508 15.670 ( -5.673 4.751 8.288) 11.110 15.889 ( 8.298 -5.942 3.791) 10.887 15.989 ( 0.117 0.490 -3.946) 3.978 16.042 ( 1.592 0.811 -6.691) 6.925 16.485 ( 1.489 2.043 2.233) 3.373 16.592 ( 5.134 -4.056 3.654) 7.494 16.820 ( 16.820 -0.884 -3.503) 17.204 17.470 ( 9.454 -0.431 -4.259) 10.378 17.989 ( 5.363 0.692 2.950) 6.160 18.462 ( -0.095 -0.085 -0.176) 0.218 18.824 ( -4.981 0.902 0.615) 5.099 20.656 ( -4.592 -0.223 0.149) 4.600 20.754 ( -5.606 -0.417 -0.014) 5.621 21.192 ( -2.051 1.637 -0.422) 2.658 21.705 ( -6.423 1.535 0.382) 6.615 ======================= Grid point 176 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -2.393 4.968 -2.946) 6.252 2.152 ( -0.473 2.036 3.736) 4.281 2.387 ( 0.609 0.281 0.940) 1.155 2.462 ( -2.124 -0.769 0.327) 2.283 2.646 ( -1.658 2.228 -1.571) 3.190 2.722 ( -0.059 4.761 1.687) 5.052 2.903 ( -0.276 -2.601 -0.828) 2.744 3.197 ( 11.851 0.283 -3.103) 12.254 3.228 ( -3.663 4.070 2.458) 6.003 3.411 ( -0.494 5.235 -2.376) 5.770 3.537 ( 3.679 0.597 2.229) 4.342 3.666 ( 2.449 1.984 -4.919) 5.842 3.727 ( -4.383 5.343 1.043) 6.989 3.781 ( -8.737 -0.235 -6.945) 11.164 3.941 ( -8.084 0.538 1.037) 8.168 4.023 ( 5.377 -4.593 3.597) 7.934 4.135 ( -1.344 -0.216 11.335) 11.416 4.275 ( -10.887 -8.256 -2.924) 13.973 4.421 ( 1.470 -3.902 1.779) 4.533 4.452 ( -1.795 -1.319 -10.539) 10.771 4.687 ( 1.249 -6.008 2.524) 6.635 4.727 ( 5.624 4.931 -2.300) 7.825 4.816 ( 3.043 5.784 7.980) 10.315 4.978 ( 0.091 -4.803 -7.400) 8.823 5.124 ( -0.403 -2.359 9.655) 9.948 5.360 ( 8.472 2.616 3.448) 9.513 5.507 ( 3.429 5.657 -0.531) 6.636 5.542 ( -5.261 1.658 -5.379) 7.705 5.673 ( -6.928 3.774 0.025) 7.889 5.785 ( -3.701 2.395 -3.864) 5.862 6.143 ( -17.000 1.881 -0.855) 17.126 6.255 ( -3.038 -4.891 -3.764) 6.879 6.465 ( -3.242 -6.084 2.603) 7.369 6.612 ( -2.383 0.864 5.173) 5.760 6.894 ( 6.752 -5.987 -1.025) 9.082 6.990 ( 0.248 -2.430 -0.875) 2.594 7.468 ( 4.366 0.895 -0.424) 4.477 7.787 ( 0.932 2.534 0.107) 2.702 8.044 ( -0.231 0.783 0.337) 0.883 8.864 ( 7.557 -2.087 3.533) 8.599 9.057 ( 7.312 -1.804 -1.557) 7.691 9.254 ( -3.010 -3.268 -2.791) 5.247 9.486 ( -7.186 0.240 2.948) 7.771 9.849 ( 2.136 -2.356 -0.397) 3.204 10.018 ( 1.463 1.378 1.836) 2.722 10.095 ( -0.083 2.597 -6.227) 6.747 10.455 ( 0.253 2.039 1.414) 2.494 10.586 ( -5.047 1.073 3.328) 6.140 11.001 ( 1.516 3.031 7.474) 8.206 11.140 ( 0.355 0.049 0.366) 0.513 11.208 ( 0.772 -2.716 -1.778) 3.337 11.323 ( -4.819 0.147 -3.290) 5.837 11.500 ( 1.225 1.419 -0.769) 2.026 11.799 ( 0.113 -4.752 -8.301) 9.566 11.888 ( 2.536 -3.241 -1.717) 4.459 11.929 ( -1.756 1.620 1.888) 3.045 12.100 ( 0.235 -4.290 0.313) 4.308 12.605 ( 4.562 5.640 7.010) 10.088 12.670 ( 7.211 6.667 5.276) 11.148 12.782 ( 2.451 3.131 4.558) 6.049 12.860 ( 4.687 2.078 -7.860) 9.385 13.131 ( -6.979 -2.711 -0.096) 7.488 13.210 ( -3.129 2.677 -3.571) 5.450 13.264 ( -0.242 -1.334 0.017) 1.356 13.628 ( 3.975 -7.753 -2.262) 9.001 13.725 ( 2.339 -3.977 -0.221) 4.619 14.065 ( 4.292 -0.291 -3.689) 5.666 14.258 ( 1.299 -0.242 -5.847) 5.995 14.404 ( 3.022 -1.772 10.884) 11.434 14.628 ( 2.179 1.242 2.665) 3.659 14.779 ( 3.346 -1.510 2.751) 4.587 14.922 ( -5.036 -2.554 1.189) 5.770 15.125 ( -5.007 -1.480 -7.175) 8.874 15.134 ( -2.472 -0.635 -5.053) 5.661 15.458 ( -0.566 5.306 3.599) 6.436 15.542 ( -4.939 3.249 3.324) 6.781 15.955 ( -2.039 0.750 2.012) 2.961 15.999 ( 1.285 2.088 -0.761) 2.568 16.138 ( 7.137 -5.307 -2.421) 9.218 16.468 ( -1.850 0.664 -0.347) 1.996 16.700 ( 3.080 -3.541 2.119) 5.149 17.076 ( 12.972 0.593 -2.500) 13.224 17.623 ( 8.328 -0.557 -3.123) 8.912 18.043 ( 2.473 2.444 2.919) 4.540 18.481 ( 0.957 -2.500 1.402) 3.022 18.729 ( -5.009 1.053 -0.783) 5.179 20.575 ( -5.088 -0.289 -0.156) 5.099 20.658 ( -6.184 -0.406 0.320) 6.205 21.146 ( -1.331 1.742 -0.907) 2.372 21.593 ( -4.487 2.076 0.854) 5.017 ======================= Grid point 177 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -1.045 1.504 2.094) 2.782 2.107 ( -1.520 3.841 1.610) 4.433 2.382 ( -2.567 -3.300 -1.463) 4.430 2.444 ( -1.005 0.406 0.387) 1.151 2.538 ( -6.949 -0.732 4.756) 8.453 2.712 ( -0.975 0.414 -0.548) 1.193 2.909 ( -2.775 -3.032 -0.727) 4.174 3.121 ( -2.765 7.150 1.063) 7.739 3.291 ( 0.933 4.498 -1.845) 4.950 3.381 ( -0.054 0.179 -5.313) 5.316 3.561 ( 2.669 2.705 -0.466) 3.828 3.575 ( -11.699 -1.914 -2.557) 12.128 3.616 ( -4.261 2.983 0.225) 5.206 3.731 ( 4.872 1.566 -4.292) 6.679 3.915 ( 4.450 -1.333 1.420) 4.857 4.070 ( -5.532 -2.290 -4.721) 7.625 4.113 ( -1.168 -1.039 13.860) 13.947 4.242 ( -1.901 -6.075 -4.701) 7.913 4.450 ( -0.957 -5.321 -7.320) 9.100 4.516 ( 3.434 -5.844 3.395) 7.581 4.705 ( -2.825 4.948 4.568) 7.303 4.774 ( 2.382 -2.022 4.768) 5.701 4.845 ( 6.066 4.270 -0.469) 7.433 4.987 ( -5.667 -5.055 0.318) 7.601 5.162 ( 2.749 -0.476 1.812) 3.327 5.332 ( -11.067 -0.863 -4.512) 11.983 5.450 ( 4.305 3.050 0.725) 5.326 5.509 ( -5.426 0.513 0.231) 5.455 5.660 ( 9.187 0.749 0.277) 9.222 5.735 ( 2.198 2.719 -1.849) 3.955 5.841 ( -15.543 0.137 -1.639) 15.630 6.273 ( -1.102 -4.558 -3.093) 5.617 6.478 ( -1.607 -2.852 6.420) 7.206 6.620 ( 3.312 -1.146 0.928) 3.625 6.998 ( 2.729 -0.533 -0.451) 2.817 7.084 ( 4.887 -4.041 -1.414) 6.497 7.521 ( 4.308 3.768 -1.166) 5.840 7.782 ( 1.417 2.319 0.155) 2.722 8.038 ( 0.902 1.086 0.304) 1.444 8.975 ( 3.997 0.272 3.076) 5.051 9.145 ( 1.344 0.042 0.523) 1.442 9.290 ( 1.727 -1.541 2.231) 3.215 9.395 ( -1.260 -2.518 -5.659) 6.321 9.899 ( 0.449 -3.115 2.345) 3.924 10.018 ( 1.762 2.337 1.859) 3.467 10.099 ( 2.387 1.551 -5.466) 6.163 10.390 ( -4.796 3.063 -2.980) 6.424 10.498 ( -4.220 -0.352 6.454) 7.719 11.004 ( 2.192 3.110 6.378) 7.427 11.156 ( 1.616 -0.168 0.968) 1.892 11.233 ( -2.597 -3.239 -2.239) 4.717 11.265 ( -0.088 0.225 -3.120) 3.130 11.493 ( 0.786 1.863 -3.269) 3.843 11.790 ( -3.671 2.079 4.679) 6.300 11.879 ( 1.691 -1.926 -5.143) 5.746 12.030 ( 2.772 -5.998 -2.271) 6.987 12.186 ( 2.597 -6.329 2.600) 7.318 12.550 ( -4.492 3.519 1.495) 5.899 12.690 ( -4.088 7.019 3.317) 8.774 12.744 ( 8.818 9.699 4.605) 13.893 12.938 ( 4.207 5.279 -7.696) 10.237 13.033 ( -5.710 -2.421 2.245) 6.595 13.189 ( 3.519 -1.092 -3.285) 4.936 13.331 ( 8.325 3.159 0.285) 8.909 13.760 ( 4.850 -3.215 -2.049) 6.169 13.790 ( 2.189 -1.675 -0.043) 2.757 14.112 ( 0.562 -0.966 -4.174) 4.321 14.239 ( -1.406 1.047 -6.374) 6.610 14.528 ( 5.360 -5.385 11.502) 13.785 14.656 ( 1.506 -0.137 4.541) 4.786 14.833 ( -0.815 -1.265 6.473) 6.646 14.875 ( -1.981 -1.727 -1.023) 2.821 15.061 ( -3.323 -0.480 -3.476) 4.833 15.123 ( -0.094 -1.888 -6.441) 6.713 15.390 ( -5.650 0.638 0.776) 5.738 15.468 ( 3.180 4.952 -2.017) 6.221 15.864 ( -5.025 3.667 0.222) 6.225 16.032 ( 3.372 0.295 4.342) 5.505 16.275 ( 1.714 -5.465 -0.767) 5.779 16.419 ( -2.829 0.034 -2.476) 3.759 16.759 ( -0.103 -3.129 0.475) 3.166 17.209 ( 5.900 4.648 -1.955) 7.761 17.739 ( 5.069 0.458 -2.272) 5.574 18.030 ( 0.028 3.649 3.471) 5.036 18.524 ( -0.817 -4.171 2.239) 4.804 18.653 ( -3.035 -0.018 -2.229) 3.766 20.511 ( -3.208 -1.720 -0.262) 3.650 20.579 ( -3.870 -1.664 0.443) 4.235 21.116 ( -0.540 1.072 -1.384) 1.832 21.527 ( -1.317 1.436 1.365) 2.379 ======================= Grid point 185 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.962 -0.000 -4.904) 6.304 2.173 ( 0.364 0.000 4.150) 4.166 2.384 ( -2.295 -0.000 -0.903) 2.466 2.454 ( -1.404 -0.000 1.540) 2.084 2.664 ( 0.046 0.000 -0.482) 0.484 2.830 ( 0.903 0.000 -1.700) 1.925 2.835 ( -9.103 -0.000 0.973) 9.155 3.180 ( 16.372 0.000 -2.803) 16.610 3.263 ( -3.287 -0.000 1.449) 3.592 3.513 ( -1.977 -0.000 2.260) 3.002 3.516 ( 5.102 0.000 4.988) 7.135 3.676 ( -0.200 -0.000 -2.852) 2.859 3.791 ( -8.835 -0.000 -7.885) 11.842 3.811 ( -7.885 -0.000 1.402) 8.009 3.936 ( 9.551 0.000 -0.520) 9.566 4.015 ( -4.173 -0.000 3.382) 5.371 4.107 ( -9.849 -0.000 -3.633) 10.498 4.150 ( -2.576 -0.000 7.066) 7.521 4.381 ( 0.566 0.000 1.100) 1.237 4.436 ( -3.931 -0.000 -10.248) 10.976 4.623 ( 0.269 0.000 5.257) 5.264 4.800 ( 0.563 0.000 -3.205) 3.254 4.895 ( 5.327 0.000 -6.992) 8.790 4.899 ( 4.555 0.000 4.113) 6.137 5.078 ( -2.321 -0.000 13.905) 14.097 5.386 ( 9.274 0.000 6.136) 11.120 5.558 ( -9.905 -0.000 -6.113) 11.639 5.590 ( 4.069 0.000 -2.880) 4.985 5.702 ( -9.098 -0.000 -1.966) 9.308 5.821 ( -3.585 -0.000 -2.648) 4.457 6.166 ( -17.969 -0.000 -1.681) 18.047 6.188 ( -4.043 -0.000 -3.936) 5.642 6.391 ( -2.579 -0.000 1.926) 3.219 6.629 ( -1.663 -0.000 7.104) 7.296 6.826 ( 9.026 0.000 -0.959) 9.077 6.964 ( 0.073 0.000 -1.642) 1.644 7.477 ( 5.453 0.000 0.016) 5.453 7.817 ( 1.202 0.000 0.549) 1.321 8.053 ( -0.119 -0.000 0.102) 0.157 8.842 ( 8.837 0.000 2.689) 9.237 9.040 ( 8.067 0.000 -2.011) 8.314 9.215 ( -3.196 -0.000 -2.923) 4.331 9.491 ( -6.806 -0.000 5.917) 9.018 9.823 ( 1.962 0.000 -2.017) 2.814 10.031 ( 2.020 0.000 2.044) 2.874 10.123 ( -1.541 -0.000 -6.850) 7.021 10.477 ( 0.987 0.000 3.339) 3.482 10.599 ( -5.454 -0.000 2.028) 5.819 11.026 ( -0.341 -0.000 7.294) 7.302 11.160 ( 2.908 0.000 0.228) 2.917 11.172 ( 0.063 0.000 -3.308) 3.308 11.320 ( -4.364 -0.000 -1.785) 4.715 11.528 ( 3.622 0.000 -0.016) 3.622 11.729 ( -1.172 -0.000 -6.454) 6.560 11.842 ( 4.938 0.000 -4.515) 6.691 11.989 ( -2.927 -0.000 2.308) 3.728 12.030 ( -3.158 -0.000 0.564) 3.208 12.694 ( 8.271 0.000 7.113) 10.909 12.730 ( 6.683 0.000 7.046) 9.711 12.821 ( -3.828 -0.000 1.170) 4.003 12.846 ( 10.899 0.000 -3.712) 11.514 13.106 ( -8.692 -0.000 -1.732) 8.863 13.233 ( -4.063 -0.000 -3.157) 5.145 13.318 ( 7.117 0.000 -1.347) 7.243 13.498 ( 4.353 0.000 -3.305) 5.466 13.678 ( 3.123 0.000 -0.189) 3.129 14.063 ( 3.639 0.000 -4.372) 5.688 14.252 ( 3.409 0.000 -3.047) 4.572 14.398 ( 0.832 0.000 9.126) 9.164 14.634 ( 0.261 0.000 3.382) 3.392 14.766 ( 4.167 0.000 3.526) 5.458 14.893 ( -5.377 -0.000 -1.533) 5.591 15.111 ( -7.837 -0.000 -6.134) 9.952 15.119 ( -0.249 -0.000 -5.702) 5.708 15.541 ( 1.437 0.000 3.444) 3.732 15.559 ( -8.355 -0.000 5.574) 10.044 15.962 ( 0.223 0.000 3.977) 3.983 16.007 ( 1.567 0.000 -0.688) 1.711 16.092 ( 5.473 0.000 -7.572) 9.343 16.470 ( -3.300 -0.000 0.020) 3.300 16.667 ( 4.809 0.000 5.281) 7.143 17.081 ( 14.645 0.000 -4.402) 15.292 17.619 ( 8.883 0.000 -2.942) 9.357 18.070 ( 3.647 0.000 2.582) 4.469 18.453 ( -0.737 -0.000 1.885) 2.024 18.739 ( -5.616 -0.000 -0.905) 5.689 20.570 ( -5.477 -0.000 0.132) 5.478 20.652 ( -6.498 -0.000 -0.053) 6.499 21.165 ( -2.018 -0.000 -0.760) 2.156 21.616 ( -4.908 -0.000 0.780) 4.969 ======================= Grid point 186 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -4.008 1.380 -2.691) 5.021 2.169 ( -0.350 1.983 3.023) 3.632 2.326 ( -4.500 -1.738 -3.165) 5.769 2.455 ( 0.439 0.270 0.818) 0.967 2.529 ( -14.195 -0.117 4.748) 14.969 2.732 ( -2.421 1.443 2.047) 3.483 2.839 ( -2.954 -3.129 -0.749) 4.368 3.239 ( 0.345 3.393 1.244) 3.630 3.373 ( 1.533 3.542 -1.505) 4.143 3.415 ( -2.339 2.276 -4.537) 5.589 3.495 ( -9.498 -3.662 -0.752) 10.207 3.636 ( -3.550 2.553 3.811) 5.801 3.665 ( -4.467 1.772 1.073) 4.924 3.778 ( 4.882 0.752 -3.717) 6.182 3.897 ( -2.692 1.778 -3.642) 4.866 4.010 ( -5.253 -3.528 -6.105) 8.792 4.095 ( -4.515 -1.377 10.410) 11.430 4.135 ( 7.218 -2.970 -0.881) 7.855 4.353 ( -4.054 -3.185 -8.586) 10.015 4.424 ( 2.797 -3.028 1.354) 4.339 4.694 ( 3.445 -2.519 1.622) 4.565 4.793 ( -2.759 3.393 6.719) 8.017 4.876 ( -5.974 -4.913 4.670) 9.036 4.964 ( 5.572 4.427 2.418) 7.517 5.149 ( 6.723 -0.805 -2.724) 7.298 5.339 ( -13.624 0.595 -5.841) 14.836 5.489 ( 3.337 0.576 3.233) 4.681 5.531 ( -7.160 2.365 0.851) 7.588 5.652 ( 3.089 -1.377 -1.880) 3.870 5.759 ( -3.266 -0.509 -3.571) 4.867 5.874 ( -14.030 2.586 1.337) 14.329 6.172 ( -0.274 -4.113 -2.524) 4.833 6.402 ( 1.488 -2.875 1.706) 3.659 6.646 ( 3.670 1.794 4.887) 6.370 6.979 ( 7.061 -1.092 -0.841) 7.194 7.015 ( 5.076 -2.027 -2.879) 6.178 7.581 ( 7.582 1.767 -0.210) 7.789 7.828 ( 0.740 1.598 1.862) 2.563 8.055 ( 1.055 0.507 -0.583) 1.308 8.981 ( 7.484 0.192 1.882) 7.719 9.158 ( 3.690 1.600 -1.116) 4.174 9.218 ( 3.880 -4.119 -2.552) 6.207 9.388 ( -5.191 0.487 4.280) 6.746 9.849 ( 0.513 -1.488 0.187) 1.585 10.056 ( 1.819 1.149 1.469) 2.605 10.121 ( 1.820 0.563 -6.464) 6.739 10.440 ( -4.160 1.736 -0.165) 4.511 10.493 ( -6.477 -0.262 5.002) 8.187 11.025 ( -0.055 -0.320 3.939) 3.952 11.158 ( -2.694 -1.950 -3.901) 5.126 11.206 ( 3.523 2.379 2.215) 4.793 11.273 ( -0.644 0.159 -2.396) 2.487 11.553 ( 2.165 4.097 -1.003) 4.742 11.765 ( 2.276 -4.614 -1.026) 5.246 11.901 ( 0.871 0.567 -1.994) 2.249 11.937 ( 0.233 1.475 0.960) 1.775 12.053 ( 0.709 -6.602 2.640) 7.146 12.617 ( -8.489 2.137 -1.157) 8.830 12.826 ( 2.804 6.414 4.356) 8.244 12.914 ( 7.738 4.397 6.611) 11.086 12.972 ( -3.054 -0.694 -0.646) 3.198 13.014 ( 8.946 -0.230 -1.831) 9.134 13.170 ( -1.930 -0.758 -5.198) 5.597 13.443 ( 13.221 7.283 -0.641) 15.108 13.658 ( 8.626 -6.500 -4.456) 11.684 13.751 ( 4.487 -1.624 0.168) 4.775 14.096 ( 0.648 -0.478 -6.397) 6.448 14.262 ( -0.908 1.015 -6.540) 6.681 14.452 ( 4.114 -1.682 13.800) 14.498 14.614 ( -4.100 -2.695 3.915) 6.277 14.837 ( 3.503 0.769 8.383) 9.118 14.847 ( -0.882 -0.859 -1.798) 2.179 15.014 ( -3.958 -2.144 -4.733) 6.532 15.111 ( -1.035 -0.219 -7.491) 7.565 15.419 ( -7.280 1.535 2.835) 7.962 15.565 ( 3.503 3.368 -1.011) 4.963 15.909 ( -4.717 1.208 2.058) 5.286 16.035 ( 1.467 -0.561 1.735) 2.340 16.183 ( 2.952 -2.586 -3.918) 5.545 16.399 ( -5.445 -1.139 -1.852) 5.863 16.731 ( 2.203 -0.305 5.346) 5.790 17.275 ( 9.274 1.755 -5.182) 10.768 17.754 ( 7.534 0.669 -1.469) 7.705 18.101 ( 1.299 2.614 1.894) 3.480 18.445 ( -2.090 -2.868 4.424) 5.672 18.648 ( -5.076 -0.256 -3.075) 5.940 20.482 ( -5.401 -0.911 0.073) 5.478 20.547 ( -6.423 -1.093 -0.018) 6.515 21.134 ( -1.018 0.564 -1.200) 1.672 21.553 ( -2.042 0.860 1.334) 2.587 ======================= Grid point 187 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -5.636 0.110 2.583) 6.201 2.119 ( -2.051 4.062 -0.926) 4.644 2.272 ( -15.447 -4.440 -0.003) 16.073 2.287 ( -4.635 -4.006 1.319) 6.267 2.476 ( -0.660 -0.312 2.244) 2.360 2.651 ( -6.487 0.163 0.541) 6.512 2.784 ( -7.506 -4.234 1.079) 8.685 3.127 ( -5.888 6.698 -2.244) 9.197 3.221 ( -12.458 3.559 -2.068) 13.121 3.336 ( -1.054 -2.328 -4.440) 5.123 3.441 ( -4.377 -2.061 -0.802) 4.904 3.579 ( -4.093 -0.474 2.947) 5.066 3.600 ( -1.223 2.575 3.121) 4.227 3.809 ( -2.315 -1.268 -10.287) 10.620 3.876 ( -3.849 -5.412 -5.126) 8.389 4.006 ( -0.921 -1.945 10.586) 10.802 4.066 ( 1.006 -3.773 3.028) 4.941 4.207 ( 0.252 -0.041 -6.087) 6.092 4.383 ( 1.114 -5.676 -1.583) 5.997 4.532 ( 4.426 -5.220 1.106) 6.932 4.578 ( -11.685 -0.663 7.836) 14.084 4.813 ( 1.960 -0.294 1.682) 2.599 4.864 ( -1.063 1.568 4.486) 4.870 4.944 ( -2.890 3.286 -3.892) 5.856 5.178 ( -2.648 -1.730 -5.719) 6.535 5.207 ( -0.064 0.682 -3.869) 3.929 5.478 ( 2.515 3.272 5.372) 6.774 5.554 ( 6.059 0.634 -1.030) 6.178 5.598 ( -10.460 0.530 -1.110) 10.533 5.728 ( 1.154 -2.489 -0.682) 2.827 5.829 ( 5.443 -4.527 1.793) 7.303 6.233 ( 2.541 -3.532 -1.449) 4.586 6.459 ( 1.785 -1.262 3.051) 3.753 6.711 ( 5.993 1.149 2.280) 6.514 7.072 ( 5.440 1.234 -3.316) 6.490 7.139 ( 5.500 -2.434 -1.848) 6.292 7.665 ( 6.403 6.540 -0.959) 9.203 7.814 ( -0.173 1.318 3.130) 3.400 8.084 ( 3.387 1.137 0.432) 3.598 9.051 ( 2.069 4.505 1.015) 5.061 9.170 ( 0.815 0.871 1.355) 1.805 9.296 ( -0.112 0.564 3.295) 3.345 9.402 ( 5.836 -6.471 -6.502) 10.872 9.874 ( 0.230 -2.170 1.653) 2.737 10.093 ( 4.860 1.889 1.929) 5.559 10.134 ( 0.022 1.195 -8.127) 8.214 10.314 ( -6.983 3.465 0.362) 7.804 10.442 ( -0.734 -2.364 8.042) 8.414 11.036 ( 0.382 -1.286 2.274) 2.640 11.130 ( -3.694 -4.212 -4.711) 7.320 11.241 ( 4.638 3.844 2.905) 6.688 11.286 ( 2.310 0.861 -2.737) 3.683 11.548 ( 2.682 3.927 -1.228) 4.911 11.810 ( 0.561 5.065 5.284) 7.341 11.894 ( 1.788 -1.026 -1.539) 2.572 11.981 ( -0.743 -6.380 -0.963) 6.495 12.156 ( 2.224 -7.995 3.485) 9.000 12.445 ( -8.805 2.068 0.318) 9.050 12.670 ( -9.702 5.680 0.275) 11.245 12.922 ( -0.326 5.426 -0.995) 5.526 12.961 ( 3.984 9.780 -5.334) 11.831 13.133 ( 8.864 2.382 3.079) 9.682 13.277 ( 9.022 -3.207 2.485) 9.892 13.602 ( 14.594 8.456 -2.115) 16.999 13.842 ( 5.008 -0.003 0.500) 5.032 13.845 ( 7.913 -1.563 -0.914) 8.117 14.095 ( -1.059 -0.404 -4.750) 4.883 14.234 ( 0.368 1.570 -7.787) 7.952 14.553 ( 0.936 -3.569 10.082) 10.736 14.571 ( -3.951 -6.612 -0.364) 7.712 14.840 ( 0.379 2.680 8.422) 8.846 14.874 ( 1.041 -1.472 2.183) 2.831 14.999 ( -2.314 -1.196 -3.339) 4.235 15.112 ( 2.062 -2.301 -3.593) 4.739 15.292 ( -6.653 0.817 -0.223) 6.707 15.598 ( 5.860 5.431 -4.577) 9.208 15.804 ( -5.427 2.373 1.768) 6.181 16.072 ( 1.405 -1.392 3.203) 3.764 16.207 ( -4.011 -3.391 -2.592) 5.857 16.339 ( -3.974 -4.408 -2.786) 6.557 16.745 ( -0.541 0.696 5.521) 5.591 17.329 ( 1.998 6.137 -6.083) 8.869 17.830 ( 3.489 4.035 -1.570) 5.560 18.067 ( -0.959 4.747 2.926) 5.658 18.430 ( -4.858 -4.791 4.149) 7.986 18.589 ( -3.357 -2.785 -3.710) 5.727 20.430 ( -3.054 -4.049 -0.213) 5.076 20.485 ( -3.794 -4.768 0.259) 6.098 21.124 ( 0.846 1.063 -1.653) 2.139 21.534 ( 0.651 0.816 2.034) 2.286 ======================= Grid point 196 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -6.070 -0.000 -1.147) 6.178 2.171 ( -1.063 -0.000 0.915) 1.403 2.224 ( -19.199 -0.000 1.577) 19.263 2.241 ( -5.433 -0.000 0.085) 5.434 2.472 ( -0.321 -0.000 0.462) 0.563 2.662 ( -6.734 -0.000 2.376) 7.141 2.728 ( -8.516 -0.000 1.172) 8.596 3.240 ( -8.684 -0.000 -2.314) 8.987 3.273 ( -12.227 -0.000 -1.778) 12.355 3.288 ( -2.321 -0.000 -2.602) 3.487 3.411 ( -3.785 -0.000 -0.895) 3.890 3.560 ( -15.296 -0.000 0.455) 15.303 3.609 ( -1.247 -0.000 4.971) 5.125 3.788 ( -5.428 -0.000 -13.507) 14.557 3.855 ( 4.739 0.000 -3.062) 5.642 3.948 ( -10.594 -0.000 18.307) 21.152 4.039 ( 6.615 0.000 -3.361) 7.420 4.215 ( 0.576 0.000 -7.897) 7.918 4.324 ( 2.623 0.000 0.032) 2.623 4.466 ( 4.148 0.000 0.917) 4.248 4.573 ( -10.269 -0.000 6.844) 12.341 4.824 ( 5.042 0.000 3.869) 6.356 4.842 ( 0.743 0.000 1.313) 1.508 5.041 ( -15.405 -0.000 -5.720) 16.433 5.101 ( 6.923 0.000 0.224) 6.927 5.244 ( 0.116 0.000 -7.416) 7.417 5.502 ( -0.532 -0.000 1.489) 1.581 5.578 ( 10.546 0.000 3.102) 10.992 5.610 ( -10.275 -0.000 -0.934) 10.317 5.694 ( 3.901 0.000 -0.402) 3.922 5.772 ( -2.922 -0.000 2.956) 4.156 6.192 ( 4.274 0.000 -0.201) 4.279 6.443 ( 3.975 0.000 -0.070) 3.975 6.732 ( 4.846 0.000 3.543) 6.003 7.093 ( 6.443 0.000 -0.377) 6.454 7.098 ( 6.633 0.000 -5.803) 8.813 7.737 ( 9.437 0.000 -0.104) 9.438 7.827 ( -1.930 -0.000 3.828) 4.287 8.096 ( 3.594 0.000 -0.018) 3.594 9.105 ( 6.563 0.000 1.359) 6.702 9.188 ( -0.382 -0.000 -0.008) 0.383 9.281 ( 4.229 0.000 -1.392) 4.452 9.335 ( -0.953 -0.000 0.370) 1.022 9.850 ( 0.864 0.000 1.048) 1.358 10.111 ( 4.206 0.000 -2.136) 4.717 10.150 ( 0.631 0.000 -5.705) 5.739 10.382 ( -3.707 -0.000 -1.239) 3.909 10.388 ( -4.340 -0.000 10.946) 11.775 11.014 ( -1.127 -0.000 0.051) 1.129 11.086 ( -3.204 -0.000 -3.151) 4.493 11.289 ( 2.357 0.000 -2.853) 3.701 11.293 ( 4.686 0.000 1.754) 5.003 11.628 ( 2.883 0.000 -0.405) 2.911 11.792 ( 4.147 0.000 4.440) 6.075 11.914 ( 1.013 0.000 -5.046) 5.146 11.985 ( -1.429 -0.000 4.491) 4.713 11.999 ( 2.091 0.000 3.560) 4.129 12.469 ( -9.327 -0.000 0.035) 9.328 12.727 ( -12.168 -0.000 -0.805) 12.194 13.016 ( 6.503 0.000 -4.668) 8.005 13.086 ( -1.607 -0.000 -1.291) 2.061 13.129 ( 8.846 0.000 3.471) 9.502 13.227 ( 11.415 0.000 4.640) 12.322 13.744 ( 15.746 0.000 0.662) 15.760 13.778 ( 10.390 0.000 -5.370) 11.696 13.840 ( 6.712 0.000 0.590) 6.737 14.089 ( -0.519 -0.000 -6.085) 6.107 14.260 ( 1.153 0.000 -9.899) 9.966 14.489 ( -7.472 -0.000 0.800) 7.515 14.509 ( 2.901 0.000 12.693) 13.020 14.850 ( 0.847 0.000 -0.195) 0.869 14.883 ( -0.537 -0.000 10.573) 10.587 14.966 ( 0.282 0.000 -3.061) 3.074 15.099 ( 0.954 0.000 -5.232) 5.318 15.306 ( -7.071 -0.000 1.158) 7.166 15.672 ( 6.276 0.000 -4.619) 7.792 15.832 ( -4.946 -0.000 1.570) 5.189 16.033 ( -0.855 -0.000 2.397) 2.545 16.184 ( -1.268 -0.000 -3.599) 3.816 16.282 ( -7.411 -0.000 -1.915) 7.655 16.756 ( 0.445 0.000 7.409) 7.423 17.394 ( 3.824 0.000 -8.133) 8.988 17.879 ( 6.656 0.000 -0.092) 6.656 18.129 ( 0.111 0.000 0.301) 0.321 18.369 ( -5.409 -0.000 7.511) 9.256 18.555 ( -5.834 -0.000 -5.312) 7.890 20.386 ( -5.187 -0.000 0.160) 5.189 20.431 ( -6.320 -0.000 -0.156) 6.322 21.136 ( 1.235 0.000 -1.614) 2.032 21.544 ( 0.301 0.000 2.197) 2.217 ======================= Grid point 197 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -13.930 0.952 4.463) 14.658 1.892 ( -22.881 -6.277 9.466) 25.545 2.111 ( -3.913 4.290 -6.851) 8.980 2.191 ( -3.784 -3.408 -8.337) 9.770 2.426 ( -4.774 -1.849 0.696) 5.167 2.543 ( -5.682 1.607 1.033) 5.995 2.614 ( -6.386 -4.465 3.034) 8.362 3.004 ( -21.906 0.518 3.195) 22.144 3.068 ( -8.646 3.446 -1.570) 9.439 3.196 ( -20.250 -5.725 3.554) 21.341 3.293 ( -6.080 -6.232 0.189) 8.708 3.358 ( -2.039 -1.832 -2.889) 3.982 3.606 ( 0.389 -0.159 4.456) 4.476 3.711 ( -5.532 -2.445 -14.745) 15.938 3.837 ( 2.068 5.058 8.842) 10.394 3.965 ( 1.392 -5.505 2.554) 6.226 4.111 ( -1.958 1.690 -4.346) 5.057 4.171 ( -0.731 -3.993 -7.117) 8.193 4.365 ( 0.410 -0.897 0.562) 1.136 4.470 ( -2.994 1.342 1.136) 3.472 4.562 ( 4.428 -3.819 0.248) 5.852 4.797 ( -4.854 3.101 -5.726) 8.122 4.858 ( -1.747 -1.784 -1.166) 2.756 4.899 ( -0.369 0.688 3.784) 3.864 5.200 ( 4.655 1.223 -1.433) 5.022 5.264 ( 4.375 1.258 0.577) 4.589 5.455 ( -6.760 1.442 3.260) 7.642 5.519 ( 1.969 -1.597 1.074) 2.753 5.678 ( -1.874 -0.323 -0.961) 2.130 5.773 ( 9.374 1.113 2.376) 9.734 5.880 ( 10.726 -3.735 1.338) 11.436 6.276 ( 4.431 -1.427 0.932) 4.748 6.500 ( 2.718 0.451 -0.380) 2.781 6.806 ( 4.201 0.056 1.445) 4.443 7.181 ( 5.427 1.393 -3.071) 6.390 7.214 ( 5.727 -1.041 -4.290) 7.231 7.770 ( -2.570 2.538 2.438) 4.358 7.877 ( 8.349 3.104 1.039) 8.967 8.164 ( 4.506 0.743 2.920) 5.420 9.118 ( -1.996 6.646 1.032) 7.015 9.187 ( 0.837 0.699 2.370) 2.609 9.301 ( -0.363 -0.340 0.761) 0.909 9.407 ( 3.563 -7.717 -8.012) 11.680 9.881 ( 2.342 -0.475 1.324) 2.732 10.083 ( -6.597 0.287 -9.217) 11.339 10.212 ( 7.350 0.766 0.932) 7.449 10.293 ( -0.932 7.142 2.982) 7.796 10.445 ( 5.402 -5.436 12.168) 14.380 10.974 ( -5.282 -2.792 -5.558) 8.160 11.082 ( 1.965 -1.049 0.311) 2.249 11.339 ( 4.264 0.799 -3.634) 5.660 11.366 ( 5.100 1.769 1.379) 5.572 11.645 ( 2.944 4.564 0.328) 5.441 11.863 ( -0.601 -3.563 3.883) 5.304 11.895 ( -2.507 7.075 4.007) 8.509 11.934 ( 0.859 0.028 -3.591) 3.693 12.102 ( 0.802 -8.925 3.570) 9.646 12.354 ( -2.092 0.286 6.872) 7.189 12.525 ( -10.246 1.958 -1.564) 10.548 13.027 ( 2.293 7.834 -1.440) 8.289 13.068 ( 2.213 4.181 -8.183) 9.452 13.309 ( 10.304 -0.875 7.466) 12.755 13.400 ( 8.223 -1.129 3.319) 8.939 13.889 ( 7.250 4.534 -0.861) 8.594 13.933 ( 5.140 1.440 -1.831) 5.643 13.979 ( 9.159 2.261 2.942) 9.882 14.079 ( -0.284 0.239 -4.898) 4.913 14.316 ( 7.011 3.012 -9.541) 12.217 14.416 ( -3.037 -5.537 -5.202) 8.182 14.546 ( -0.941 -2.568 6.418) 6.977 14.831 ( -3.806 0.517 8.520) 9.346 14.872 ( 1.137 -0.652 0.068) 1.313 15.002 ( 3.284 -0.448 -0.565) 3.362 15.162 ( 6.101 -0.205 1.612) 6.313 15.192 ( -6.115 0.407 -0.340) 6.138 15.688 ( -3.430 2.378 -3.918) 5.724 15.799 ( 3.758 4.364 -1.509) 5.953 16.038 ( -1.745 -5.735 1.058) 6.087 16.106 ( -6.207 2.595 -1.472) 6.886 16.206 ( -4.849 -6.854 -2.309) 8.708 16.745 ( -1.321 1.329 8.922) 9.117 17.383 ( -1.911 4.761 -9.911) 11.160 17.936 ( 2.383 7.593 -1.018) 8.023 18.089 ( -2.648 5.445 1.493) 6.236 18.280 ( -7.814 -4.866 5.554) 10.751 18.466 ( -6.933 -5.733 -5.551) 10.571 20.332 ( -3.377 -4.637 -0.184) 5.739 20.365 ( -3.968 -5.608 0.026) 6.870 21.178 ( 4.523 1.211 -1.995) 5.089 21.563 ( 1.997 0.323 3.498) 4.041 ======================= Grid point 207 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -23.121 -0.000 10.193) 25.268 1.417 ( -29.193 -0.000 14.376) 32.541 2.073 ( -5.919 -0.000 -10.842) 12.352 2.076 ( -4.227 -0.000 -21.098) 21.517 2.332 ( -42.498 -0.000 28.346) 51.085 2.333 ( -2.867 -0.000 1.060) 3.057 2.481 ( -5.060 -0.000 2.042) 5.456 2.572 ( 1.419 0.000 2.020) 2.468 2.968 ( -5.451 -0.000 2.397) 5.954 3.006 ( -5.521 -0.000 0.459) 5.540 3.194 ( -4.911 -0.000 -1.859) 5.252 3.329 ( 0.037 0.000 -4.343) 4.344 3.585 ( -6.272 -0.000 -23.347) 24.175 3.617 ( 0.802 0.000 4.376) 4.449 3.926 ( -1.105 -0.000 -1.592) 1.938 3.959 ( -8.070 -0.000 -13.332) 15.584 3.979 ( 7.539 0.000 9.584) 12.194 4.211 ( 3.555 0.000 1.651) 3.920 4.360 ( -0.683 -0.000 -1.272) 1.444 4.446 ( -1.559 -0.000 -1.363) 2.071 4.617 ( 4.512 0.000 -1.151) 4.656 4.754 ( -2.505 -0.000 -0.384) 2.534 4.828 ( -1.704 -0.000 -1.160) 2.061 4.851 ( -5.845 -0.000 -2.557) 6.380 5.276 ( 3.133 0.000 0.134) 3.136 5.358 ( 4.687 0.000 -1.125) 4.820 5.408 ( 0.555 0.000 15.817) 15.827 5.570 ( 5.293 0.000 -3.383) 6.282 5.602 ( -5.525 -0.000 -0.088) 5.525 5.893 ( 6.505 0.000 4.306) 7.801 6.122 ( 14.823 0.000 -2.623) 15.053 6.331 ( 2.946 0.000 2.052) 3.590 6.534 ( 1.011 0.000 -2.086) 2.318 6.852 ( 1.629 0.000 -0.508) 1.706 7.261 ( 3.690 0.000 -0.443) 3.716 7.292 ( 3.465 0.000 -4.939) 6.034 7.738 ( -1.460 -0.000 1.040) 1.792 8.043 ( 8.471 0.000 -0.059) 8.471 8.236 ( 3.287 0.000 6.770) 7.526 9.097 ( -3.999 -0.000 4.290) 5.865 9.187 ( -3.656 -0.000 1.027) 3.797 9.270 ( -1.510 -0.000 -1.527) 2.148 9.394 ( 0.631 0.000 -11.920) 11.937 9.933 ( 3.556 0.000 1.476) 3.850 9.962 ( -6.596 -0.000 -4.587) 8.034 10.344 ( 7.524 0.000 -0.347) 7.532 10.357 ( 1.644 0.000 -1.280) 2.084 10.552 ( 11.270 0.000 17.339) 20.679 10.848 ( -7.287 -0.000 -6.740) 9.926 11.142 ( 5.430 0.000 1.812) 5.724 11.417 ( 4.802 0.000 -5.218) 7.091 11.458 ( 4.786 0.000 0.853) 4.861 11.707 ( 1.679 0.000 -0.009) 1.679 11.772 ( -6.089 -0.000 2.082) 6.435 11.916 ( -2.137 -0.000 1.407) 2.559 11.960 ( 1.402 0.000 -1.636) 2.155 11.999 ( -6.218 -0.000 0.805) 6.270 12.361 ( -6.601 -0.000 -0.649) 6.633 12.493 ( 14.747 0.000 21.242) 25.860 13.113 ( 3.328 0.000 -0.148) 3.331 13.127 ( 2.707 0.000 -5.298) 5.950 13.464 ( 8.860 0.000 7.866) 11.848 13.527 ( 7.557 0.000 0.768) 7.596 13.939 ( -0.284 -0.000 3.045) 3.058 13.993 ( 0.511 0.000 -3.559) 3.596 14.085 ( 1.568 0.000 -3.925) 4.226 14.156 ( 7.005 0.000 0.604) 7.031 14.334 ( 0.267 0.000 0.153) 0.308 14.448 ( -4.124 -0.000 -1.485) 4.383 14.547 ( 7.628 0.000 -9.532) 12.209 14.818 ( 4.023 0.000 4.913) 6.350 14.912 ( 3.492 0.000 0.693) 3.560 15.057 ( 3.484 0.000 -0.850) 3.586 15.097 ( -5.100 -0.000 -0.254) 5.107 15.312 ( 11.131 0.000 5.481) 12.407 15.616 ( -5.494 -0.000 -5.816) 8.000 15.848 ( -3.592 -0.000 -3.902) 5.304 15.948 ( -3.657 -0.000 1.060) 3.808 16.020 ( -7.614 -0.000 -0.688) 7.645 16.120 ( 1.381 0.000 -1.020) 1.717 16.738 ( 0.011 0.000 10.132) 10.132 17.347 ( -4.819 -0.000 -10.669) 11.706 18.038 ( -17.198 -0.000 -2.141) 17.331 18.047 ( 3.141 0.000 1.044) 3.310 18.108 ( -0.646 -0.000 -1.021) 1.208 18.227 ( -16.114 -0.000 -4.613) 16.761 20.247 ( -3.145 -0.000 -0.075) 3.146 20.269 ( -3.140 -0.000 0.076) 3.141 21.292 ( 8.194 0.000 -2.573) 8.589 21.611 ( 3.585 0.000 5.540) 6.599 ======================= Grid point 208 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.000 -0.000 -0.000) 0.000 1.323 ( 0.000 0.000 -0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.435 ( -0.000 -0.000 -0.000) 0.000 2.481 ( -0.000 -0.000 0.000) 0.000 2.787 ( -0.000 -0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 3.020 ( -0.000 -0.000 0.000) 0.000 3.237 ( -0.000 -0.000 0.000) 0.000 3.445 ( -0.000 -0.000 0.000) 0.000 3.657 ( -0.000 -0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.111 ( -0.000 -0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.395 ( -0.000 -0.000 0.000) 0.000 4.431 ( -0.000 -0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.643 ( -0.000 -0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.423 ( -0.000 -0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.640 ( -0.000 -0.000 0.000) 0.000 5.890 ( -0.000 -0.000 -0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.091 ( -0.000 -0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.471 ( -0.000 -0.000 -0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.292 ( -0.000 -0.000 0.000) 0.000 7.314 ( -0.000 -0.000 0.000) 0.000 7.748 ( -0.000 -0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.472 ( -0.000 -0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.049 ( -0.000 -0.000 0.000) 0.000 9.246 ( -0.000 -0.000 0.000) 0.000 9.246 ( -0.000 -0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 10.023 ( -0.000 -0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.384 ( -0.000 -0.000 0.000) 0.000 10.634 ( -0.000 -0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.390 ( -0.000 -0.000 0.000) 0.000 11.564 ( -0.000 -0.000 0.000) 0.000 11.575 ( 0.000 0.000 0.000) 0.000 11.609 ( -0.000 -0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.745 ( -0.000 -0.000 0.000) 0.000 11.877 ( -0.000 -0.000 0.000) 0.000 11.976 ( 0.000 0.000 -0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 13.146 ( -0.000 -0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.459 ( -0.000 -0.000 0.000) 0.000 13.566 ( 0.000 0.000 0.000) 0.000 13.689 ( -0.000 -0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 13.987 ( -0.000 -0.000 0.000) 0.000 14.262 ( 0.000 0.000 -0.000) 0.000 14.269 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.667 ( -0.000 -0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.070 ( 0.000 0.000 0.000) 0.000 15.112 ( -0.000 -0.000 0.000) 0.000 15.536 ( 0.000 0.000 0.000) 0.000 15.537 ( -0.000 -0.000 0.000) 0.000 15.868 ( -0.000 -0.000 0.000) 0.000 15.868 ( 0.000 0.000 -0.000) 0.000 15.899 ( -0.000 -0.000 0.000) 0.000 16.032 ( 0.000 0.000 0.000) 0.000 16.816 ( 0.000 0.000 0.000) 0.000 17.175 ( 0.000 0.000 0.000) 0.000 17.620 ( -0.000 -0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 18.046 ( 0.000 0.000 0.000) 0.000 18.147 ( -0.000 -0.000 0.000) 0.000 20.194 ( -0.000 -0.000 0.000) 0.000 20.219 ( -0.000 -0.000 0.000) 0.000 21.524 ( 0.000 0.000 0.000) 0.000 21.579 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 210 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 7.198 -5.053 10.620) 13.789 1.423 ( 6.423 -5.039 -18.252) 19.994 1.520 ( 10.607 -5.584 17.547) 21.250 1.553 ( 8.137 -8.130 -0.623) 11.520 2.370 ( 6.927 -5.249 9.337) 12.756 2.392 ( 10.131 -5.973 7.714) 14.065 2.464 ( 4.216 -4.104 -0.115) 5.885 2.693 ( 14.193 -7.548 -23.987) 28.876 2.731 ( -0.320 -0.289 2.489) 2.526 2.894 ( 2.700 1.984 3.370) 4.752 3.054 ( 0.003 -6.587 -1.325) 6.719 3.256 ( 1.034 -2.924 -0.806) 3.205 3.395 ( -3.961 -1.716 -2.187) 4.839 3.677 ( -0.041 -2.594 1.284) 2.894 3.689 ( 2.248 1.117 8.028) 8.411 3.933 ( 0.228 -3.847 0.734) 3.923 4.093 ( -1.638 0.593 -1.002) 2.009 4.241 ( -1.057 4.802 0.004) 4.916 4.427 ( 2.252 1.769 -1.660) 3.310 4.455 ( -1.119 -4.186 -3.492) 5.565 4.584 ( 1.615 2.152 1.688) 3.177 4.651 ( 4.479 -2.809 2.022) 5.661 4.687 ( 3.462 0.747 0.131) 3.544 4.860 ( 1.120 -3.685 -2.601) 4.647 5.291 ( -1.434 3.388 0.545) 3.719 5.409 ( -4.271 -0.794 0.948) 4.447 5.519 ( 0.865 -2.076 1.228) 2.562 5.605 ( -1.973 0.779 -0.887) 2.299 5.759 ( -6.632 3.500 -7.234) 10.419 5.976 ( 2.374 4.065 11.377) 12.312 6.086 ( -5.325 -4.619 1.422) 7.191 6.434 ( -1.429 -1.108 -2.048) 2.732 6.483 ( 0.486 -2.048 2.870) 3.559 6.902 ( -0.175 0.011 -2.630) 2.636 7.228 ( -3.376 3.952 3.305) 6.159 7.321 ( -2.418 -2.903 0.224) 3.784 7.754 ( 2.647 4.089 -4.780) 6.825 8.146 ( -5.461 3.979 -0.086) 6.757 8.416 ( -5.013 2.776 -1.504) 5.924 8.981 ( 3.146 6.809 0.221) 7.504 9.162 ( 3.306 -8.041 4.959) 10.009 9.199 ( 1.862 4.346 -2.757) 5.473 9.337 ( 1.729 -7.906 -2.209) 8.389 9.865 ( 0.215 3.043 0.582) 3.106 10.008 ( -3.674 -0.797 0.285) 3.770 10.284 ( 2.264 4.864 1.802) 5.660 10.386 ( 1.234 -1.985 1.902) 3.013 10.603 ( -0.641 1.283 3.033) 3.355 11.041 ( -7.169 -1.520 -6.146) 9.564 11.331 ( -6.433 0.554 -4.050) 7.622 11.431 ( -7.848 0.896 1.339) 8.012 11.537 ( -2.353 1.159 -0.871) 2.764 11.689 ( 4.481 0.149 -0.227) 4.489 11.730 ( 0.613 -1.084 -0.503) 1.343 11.817 ( 2.586 5.726 4.253) 7.587 11.876 ( 5.285 -0.314 -1.460) 5.492 12.003 ( 2.847 -3.007 -1.349) 4.355 12.241 ( 2.744 -3.966 2.486) 5.426 13.052 ( -10.873 4.302 -1.307) 11.766 13.128 ( -5.156 8.774 -0.255) 10.180 13.299 ( -11.172 3.728 -7.166) 13.786 13.589 ( 1.123 -1.217 3.013) 3.438 13.605 ( -12.775 4.472 6.511) 15.020 13.813 ( 4.005 2.133 6.022) 7.540 13.967 ( -2.669 -1.630 -1.464) 3.453 14.142 ( -5.648 10.362 -1.747) 11.929 14.263 ( -3.440 2.942 0.537) 4.558 14.291 ( 2.253 1.303 1.189) 2.861 14.377 ( 1.054 -2.965 1.086) 3.328 14.528 ( -8.225 -1.475 7.328) 11.114 14.871 ( 6.342 12.109 -5.729) 14.821 14.965 ( 0.656 2.958 1.294) 3.294 15.026 ( -0.415 -1.501 -5.151) 5.381 15.144 ( -0.742 -5.529 -0.941) 5.658 15.389 ( -3.602 -3.048 3.707) 6.000 15.553 ( -7.574 6.722 -1.848) 10.294 15.863 ( 0.325 -2.678 -2.007) 3.363 15.900 ( 2.346 -2.731 -0.310) 3.613 15.930 ( 4.413 -2.452 0.122) 5.050 16.140 ( 4.673 -2.581 -1.087) 5.448 16.763 ( -2.272 0.991 7.494) 7.894 17.273 ( 1.188 0.982 -4.799) 5.041 17.421 ( 12.125 13.017 -1.484) 17.851 17.967 ( 14.865 13.933 -4.510) 20.867 18.100 ( 5.420 -3.577 -1.194) 6.603 18.303 ( 6.875 -17.979 -5.780) 20.097 20.253 ( 1.160 -8.711 0.124) 8.789 20.305 ( 0.651 -14.000 -1.310) 14.076 21.347 ( -11.963 1.603 5.140) 13.119 21.647 ( 2.568 1.886 2.621) 4.126 ======================= Grid point 211 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 11.537 -1.287 7.316) 13.722 1.604 ( 9.209 -8.513 4.279) 13.252 1.765 ( 10.956 -5.579 9.463) 15.515 1.902 ( 17.947 -10.748 -5.876) 21.729 2.460 ( 0.944 0.089 -0.507) 1.075 2.485 ( 2.573 -7.891 -1.679) 8.468 2.647 ( 1.600 -3.572 -2.527) 4.659 2.877 ( 8.041 2.319 0.447) 8.380 2.962 ( 14.523 -2.958 11.826) 18.961 3.041 ( 7.480 -5.419 -15.841) 18.337 3.222 ( 12.312 -17.041 9.507) 23.073 3.341 ( -0.511 -7.884 -0.131) 7.902 3.392 ( 4.527 -4.923 -6.798) 9.536 3.691 ( 1.078 -0.244 -0.889) 1.418 3.780 ( 7.895 -3.389 2.708) 9.008 3.958 ( -2.845 -1.420 -0.710) 3.258 4.067 ( 2.387 0.129 0.533) 2.449 4.201 ( -0.722 0.008 1.759) 1.901 4.416 ( -1.838 0.479 -6.082) 6.372 4.463 ( 0.056 -1.580 -1.505) 2.183 4.596 ( 1.064 -0.838 2.405) 2.761 4.675 ( 0.167 5.689 0.110) 5.692 4.817 ( 6.657 -4.448 3.171) 8.612 4.920 ( 1.133 -4.799 -4.139) 6.438 5.179 ( -6.241 7.659 3.210) 10.388 5.330 ( -4.333 -0.790 2.918) 5.284 5.469 ( -3.679 7.234 -3.616) 8.885 5.619 ( 0.187 -3.572 1.305) 3.807 5.661 ( -2.397 -0.537 -1.781) 3.034 5.936 ( -5.077 3.483 5.646) 8.354 6.011 ( -6.439 -6.736 -0.718) 9.346 6.401 ( -3.861 -0.991 -1.910) 4.420 6.515 ( -0.280 -3.309 1.971) 3.862 6.888 ( -1.667 0.752 -1.561) 2.405 7.134 ( -3.475 2.825 2.668) 5.213 7.288 ( -4.354 -1.811 -0.382) 4.731 7.724 ( 1.552 9.976 -2.764) 10.468 8.001 ( -5.817 3.928 -2.237) 7.367 8.274 ( -7.358 3.758 1.865) 8.470 8.984 ( 4.166 5.249 -1.791) 6.937 9.160 ( 1.704 6.142 2.013) 6.684 9.320 ( 2.821 -7.872 2.563) 8.746 9.435 ( -0.179 -7.569 -2.889) 8.103 9.872 ( 3.185 2.043 1.369) 4.024 9.935 ( -3.204 1.350 1.721) 3.879 10.212 ( -2.190 5.846 0.497) 6.263 10.376 ( -4.681 0.117 -1.687) 4.977 10.685 ( 7.548 -2.605 7.592) 11.018 10.903 ( -8.784 -1.209 -7.593) 11.674 11.205 ( -6.823 -0.668 -2.584) 7.326 11.337 ( -3.999 0.625 1.689) 4.386 11.471 ( -3.497 2.032 -2.176) 4.592 11.654 ( -3.760 2.575 0.456) 4.580 11.812 ( 3.529 2.620 2.533) 5.073 11.856 ( 6.844 -3.444 -0.595) 7.684 11.912 ( 3.101 4.921 -4.916) 7.616 12.163 ( 7.433 -7.934 -0.235) 10.874 12.305 ( 1.022 -2.090 4.517) 5.081 12.723 ( -15.636 8.139 -2.070) 17.748 12.959 ( -4.307 9.949 1.226) 10.911 13.049 ( -10.688 10.065 -5.790) 15.782 13.393 ( -7.393 2.652 7.420) 10.805 13.601 ( -2.696 -1.865 0.916) 3.404 13.879 ( 4.287 2.440 3.327) 5.950 13.912 ( -5.609 3.792 1.099) 6.859 13.997 ( 0.091 2.820 -3.535) 4.523 14.113 ( -6.222 6.362 -2.368) 9.209 14.306 ( -4.815 0.962 5.558) 7.416 14.397 ( -1.986 -3.256 -0.923) 3.924 14.491 ( 3.716 -1.729 1.953) 4.540 14.864 ( 4.687 5.517 -2.610) 7.695 14.952 ( 1.592 1.956 -1.486) 2.927 15.040 ( -1.032 -1.323 -2.120) 2.703 15.178 ( -1.806 -5.359 -3.257) 6.526 15.359 ( -6.519 1.987 -3.441) 7.634 15.409 ( 2.442 1.565 9.480) 9.914 15.852 ( -3.747 0.625 -1.795) 4.201 15.979 ( 3.920 -1.982 0.428) 4.413 16.043 ( 6.067 -2.180 -0.506) 6.467 16.225 ( 1.036 -7.378 -0.582) 7.473 16.775 ( 4.681 3.146 4.648) 7.309 17.204 ( -0.856 6.090 -6.181) 8.719 17.579 ( 16.877 14.587 3.616) 22.598 18.011 ( 4.328 4.975 -0.626) 6.624 18.244 ( 6.127 -5.424 -0.286) 8.188 18.542 ( 5.659 -7.003 -7.478) 11.705 20.368 ( 0.402 -10.478 0.965) 10.530 20.461 ( -0.736 -15.638 -3.693) 16.085 21.166 ( -7.031 2.528 5.907) 9.525 21.634 ( -1.565 1.253 0.849) 2.177 ======================= Grid point 212 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 8.325 1.513 0.221) 8.464 1.884 ( 9.244 -6.820 4.691) 12.409 1.999 ( 11.495 -7.795 8.443) 16.254 2.253 ( 13.106 -5.956 0.201) 14.398 2.495 ( 3.319 -1.418 -3.320) 4.904 2.592 ( 2.389 -4.402 -5.547) 7.473 2.761 ( 7.500 -3.218 0.304) 8.167 2.911 ( 5.346 4.349 6.071) 9.184 3.052 ( -1.688 -2.194 -7.889) 8.360 3.255 ( 10.703 -2.505 4.804) 11.996 3.336 ( -2.896 -3.949 1.068) 5.012 3.574 ( 4.886 -2.470 1.314) 5.630 3.600 ( 6.300 -10.754 3.837) 13.040 3.710 ( 0.186 -0.882 -7.368) 7.423 3.926 ( 1.113 -4.530 -3.209) 5.662 3.988 ( 5.924 -3.390 2.812) 7.382 4.148 ( -0.019 -2.781 -2.803) 3.949 4.287 ( 10.631 -8.061 -1.344) 13.409 4.403 ( 1.840 -2.399 -2.171) 3.722 4.477 ( 1.123 2.540 0.448) 2.813 4.626 ( 2.497 0.273 -1.763) 3.069 4.643 ( 2.487 -2.141 4.026) 5.194 4.905 ( -0.107 -1.490 -1.311) 1.988 4.972 ( -1.333 2.312 1.074) 2.877 5.001 ( -3.333 2.799 2.799) 5.175 5.262 ( -5.571 -1.266 2.141) 6.101 5.369 ( 2.821 6.251 1.598) 7.041 5.611 ( -2.209 3.320 -3.252) 5.146 5.651 ( -1.788 -1.120 2.023) 2.923 5.792 ( -7.550 -1.526 0.597) 7.725 6.018 ( -4.723 -9.239 -0.868) 10.413 6.329 ( -5.036 -0.516 -1.470) 5.272 6.547 ( -0.240 -4.238 -0.462) 4.270 6.819 ( -4.619 2.309 0.250) 5.170 7.065 ( -2.362 1.589 -0.212) 2.854 7.218 ( -4.881 -0.165 -0.153) 4.886 7.608 ( -1.129 12.105 0.425) 12.165 7.894 ( -3.443 3.296 -3.314) 5.805 8.127 ( -6.395 1.875 4.096) 7.822 9.006 ( 3.430 3.229 -2.817) 5.489 9.136 ( 3.217 6.329 1.568) 7.271 9.386 ( -1.598 -1.664 -0.422) 2.345 9.450 ( -6.037 -6.974 0.578) 9.242 9.901 ( 2.825 0.630 -0.541) 2.945 9.936 ( 2.650 -0.401 4.732) 5.438 10.130 ( -1.418 4.350 3.519) 5.772 10.290 ( -3.932 0.375 -5.190) 6.522 10.704 ( -6.312 -0.199 -4.355) 7.671 10.926 ( 6.575 -4.868 7.086) 10.823 11.136 ( -3.051 -1.801 -2.478) 4.324 11.270 ( -3.163 0.829 0.652) 3.334 11.385 ( -3.635 2.895 -3.723) 5.955 11.547 ( -5.114 3.271 0.652) 6.105 11.846 ( 0.926 -0.564 3.586) 3.746 11.903 ( 2.704 4.622 -8.463) 10.014 12.003 ( 5.376 -2.681 -1.142) 6.115 12.313 ( -1.650 -7.649 2.114) 8.106 12.382 ( 8.214 -0.867 0.771) 8.295 12.462 ( -3.504 8.165 -0.869) 8.927 12.794 ( -6.081 6.503 3.733) 9.654 12.813 ( -2.988 10.656 0.986) 11.111 13.268 ( -5.556 2.924 1.327) 6.417 13.518 ( -8.566 0.094 -1.159) 8.644 13.707 ( -10.584 6.715 -0.686) 12.554 13.895 ( -1.326 3.021 1.394) 3.582 13.964 ( -5.480 4.389 -1.002) 7.093 14.035 ( 3.373 -1.056 -1.529) 3.851 14.153 ( -5.880 2.452 1.431) 6.529 14.457 ( 4.816 -2.626 1.583) 5.710 14.603 ( 6.557 -0.791 4.099) 7.773 14.897 ( 3.200 2.298 -1.571) 4.241 14.959 ( -0.921 -1.667 -1.973) 2.742 15.039 ( 0.240 -0.947 -1.910) 2.145 15.177 ( -2.565 -1.914 -0.556) 3.248 15.295 ( -3.518 -3.526 -8.216) 9.608 15.428 ( 2.386 3.399 9.382) 10.260 15.775 ( -3.891 -0.786 -0.509) 4.002 16.065 ( 5.133 0.203 2.971) 5.935 16.161 ( 4.459 -3.590 -2.035) 6.075 16.314 ( 1.578 -5.239 0.284) 5.479 16.815 ( 3.696 4.086 -2.133) 5.908 17.143 ( 1.589 6.722 -0.094) 6.908 17.670 ( 9.683 10.578 1.830) 14.457 18.027 ( 2.044 2.428 0.521) 3.216 18.397 ( 5.717 -5.010 0.522) 7.620 18.639 ( 1.161 -2.962 -4.682) 5.660 20.460 ( -0.325 -7.680 0.640) 7.713 20.567 ( -2.529 -11.141 -2.261) 11.646 21.077 ( -1.543 1.566 3.306) 3.971 21.589 ( -2.563 0.537 -0.075) 2.620 ======================= Grid point 213 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 3.956 0.941 1.165) 4.230 2.004 ( 2.265 -1.901 0.582) 3.014 2.282 ( 9.610 -7.265 3.266) 12.482 2.443 ( 5.359 -3.397 2.420) 6.790 2.571 ( 3.266 1.399 1.255) 3.768 2.661 ( 3.117 -2.962 -10.515) 11.360 2.885 ( 4.873 0.703 6.529) 8.177 2.964 ( -0.033 -1.532 -2.585) 3.005 3.107 ( 9.475 0.014 2.228) 9.733 3.315 ( -1.397 -1.638 0.425) 2.194 3.429 ( 5.284 -2.026 1.702) 5.909 3.554 ( -1.130 3.129 -1.127) 3.513 3.689 ( -2.225 1.410 -7.494) 7.943 3.742 ( 1.874 -3.051 4.799) 5.988 3.893 ( -6.945 -4.121 2.128) 8.351 4.110 ( 0.068 -2.953 -0.262) 2.965 4.150 ( 0.861 -4.456 -2.618) 5.239 4.336 ( -3.513 3.385 -1.471) 5.096 4.459 ( 2.494 -3.075 -7.171) 8.191 4.609 ( 3.299 -1.897 3.117) 4.919 4.721 ( 1.128 3.003 -0.886) 3.328 4.754 ( 6.651 -2.144 5.140) 8.675 4.876 ( -3.086 5.191 -2.002) 6.363 4.968 ( 10.631 -5.536 0.371) 11.992 5.010 ( 2.729 -7.683 3.797) 8.994 5.220 ( -0.482 1.012 1.647) 1.992 5.445 ( 7.500 -0.429 5.249) 9.164 5.538 ( 1.983 5.098 -2.443) 5.991 5.579 ( -5.471 -0.526 -4.647) 7.197 5.716 ( -6.458 -0.447 3.501) 7.360 5.977 ( -10.392 -5.432 -2.779) 12.051 6.279 ( -1.429 -1.925 -0.677) 2.491 6.586 ( -0.335 -4.010 -0.245) 4.031 6.711 ( -4.261 3.090 -1.140) 5.386 7.022 ( -1.302 0.808 -0.898) 1.776 7.145 ( -2.919 0.933 0.255) 3.075 7.488 ( -1.216 7.078 0.610) 7.207 7.800 ( -3.400 3.182 -0.109) 4.658 8.046 ( -2.429 0.171 2.007) 3.156 9.025 ( 1.749 1.348 -0.909) 2.388 9.151 ( 3.884 3.774 -0.183) 5.419 9.322 ( -1.676 3.813 -5.105) 6.589 9.403 ( -8.010 -6.401 5.046) 11.428 9.952 ( 1.856 -0.669 -1.392) 2.415 9.987 ( 2.648 -0.596 3.826) 4.691 10.081 ( -0.597 2.352 4.077) 4.744 10.255 ( -0.455 -0.499 -4.210) 4.264 10.615 ( -3.752 -0.207 -3.143) 4.898 11.046 ( 1.512 -0.466 6.669) 6.854 11.143 ( 1.715 -4.295 -1.824) 4.972 11.223 ( -1.575 0.499 -0.419) 1.705 11.302 ( -2.786 2.276 -3.361) 4.923 11.445 ( -3.459 1.815 0.928) 4.015 11.843 ( -0.244 1.199 0.330) 1.267 11.892 ( -0.834 1.657 -8.596) 8.794 12.053 ( -0.084 -0.001 2.805) 2.807 12.339 ( -1.399 -0.153 -1.007) 1.731 12.408 ( 6.932 -0.568 1.298) 7.075 12.572 ( 6.620 -0.746 -0.443) 6.677 12.688 ( 0.232 3.814 4.340) 5.783 12.730 ( 1.632 3.370 5.915) 7.001 13.145 ( -5.287 2.960 -4.772) 7.713 13.326 ( -11.779 2.453 -0.122) 12.033 13.455 ( -10.919 5.526 -0.810) 12.265 13.825 ( -2.292 2.328 0.186) 3.272 13.831 ( -4.605 2.520 -0.085) 5.250 14.097 ( 1.472 -2.529 -1.939) 3.511 14.118 ( 1.538 1.641 1.117) 2.511 14.597 ( 8.087 -2.868 4.263) 9.581 14.700 ( 4.543 0.825 3.050) 5.534 14.917 ( 1.622 1.001 0.360) 1.940 14.956 ( -2.559 -2.835 -3.421) 5.127 15.009 ( -5.343 0.221 -6.190) 8.180 15.169 ( 3.672 3.464 5.633) 7.564 15.265 ( -5.729 -6.059 -6.533) 10.593 15.443 ( 1.983 1.313 3.625) 4.336 15.751 ( -0.675 -0.994 0.260) 1.230 16.138 ( 4.305 1.540 3.634) 5.840 16.255 ( 1.867 -4.856 -2.511) 5.777 16.365 ( 0.463 -1.067 0.839) 1.434 16.812 ( 0.946 3.217 -4.762) 5.824 17.127 ( 2.298 3.835 2.722) 5.234 17.706 ( 4.277 5.200 0.587) 6.758 18.031 ( 0.695 1.195 0.606) 1.510 18.524 ( 4.423 -3.241 0.824) 5.545 18.654 ( -1.172 -0.828 -2.675) 3.035 20.512 ( -0.163 -3.877 0.169) 3.884 20.601 ( -2.441 -5.007 -0.521) 5.595 21.071 ( 0.812 -0.053 1.087) 1.358 21.546 ( -1.902 0.247 -0.188) 1.927 ======================= Grid point 214 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.000 0.000 0.000) 0.000 2.030 ( -0.000 0.000 0.000) 0.000 2.400 ( -0.000 0.000 0.000) 0.000 2.536 ( -0.000 0.000 0.000) 0.000 2.554 ( 0.000 -0.000 -0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.000 2.924 ( -0.000 0.000 0.000) 0.000 2.963 ( -0.000 0.000 -0.000) 0.000 3.210 ( -0.000 0.000 0.000) 0.000 3.351 ( -0.000 0.000 0.000) 0.000 3.459 ( -0.000 -0.000 0.000) 0.000 3.568 ( 0.000 -0.000 0.000) 0.000 3.586 ( -0.000 0.000 -0.000) 0.000 3.725 ( -0.000 0.000 0.000) 0.000 3.920 ( -0.000 0.000 0.000) 0.000 4.077 ( -0.000 0.000 0.000) 0.000 4.219 ( -0.000 0.000 -0.000) 0.000 4.276 ( -0.000 0.000 0.000) 0.000 4.543 ( -0.000 0.000 0.000) 0.000 4.577 ( 0.000 -0.000 -0.000) 0.000 4.682 ( -0.000 -0.000 -0.000) 0.000 4.791 ( -0.000 -0.000 0.000) 0.000 4.826 ( -0.000 0.000 -0.000) 0.000 5.085 ( -0.000 0.000 0.000) 0.000 5.180 ( -0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.430 ( -0.000 0.000 0.000) 0.000 5.559 ( 0.000 -0.000 -0.000) 0.000 5.579 ( -0.000 0.000 0.000) 0.000 5.705 ( -0.000 0.000 0.000) 0.000 5.815 ( -0.000 0.000 0.000) 0.000 6.291 ( -0.000 0.000 0.000) 0.000 6.607 ( -0.000 -0.000 0.000) 0.000 6.649 ( -0.000 0.000 -0.000) 0.000 7.007 ( -0.000 0.000 0.000) 0.000 7.116 ( -0.000 0.000 0.000) 0.000 7.441 ( -0.000 0.000 0.000) 0.000 7.751 ( -0.000 0.000 0.000) 0.000 8.028 ( -0.000 0.000 0.000) 0.000 9.036 ( -0.000 0.000 0.000) 0.000 9.157 ( -0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 -0.000) 0.000 9.333 ( -0.000 -0.000 0.000) 0.000 9.967 ( -0.000 0.000 -0.000) 0.000 10.016 ( -0.000 0.000 0.000) 0.000 10.069 ( -0.000 0.000 0.000) 0.000 10.258 ( -0.000 0.000 0.000) 0.000 10.585 ( -0.000 0.000 0.000) 0.000 11.040 ( -0.000 0.000 -0.000) 0.000 11.208 ( -0.000 0.000 -0.000) 0.000 11.221 ( -0.000 0.000 0.000) 0.000 11.244 ( 0.000 -0.000 0.000) 0.000 11.409 ( -0.000 0.000 0.000) 0.000 11.837 ( -0.000 -0.000 0.000) 0.000 11.858 ( 0.000 0.000 -0.000) 0.000 12.052 ( -0.000 0.000 0.000) 0.000 12.326 ( -0.000 0.000 0.000) 0.000 12.502 ( -0.000 0.000 0.000) 0.000 12.619 ( -0.000 0.000 -0.000) 0.000 12.670 ( -0.000 -0.000 0.000) 0.000 12.778 ( -0.000 0.000 0.000) 0.000 13.077 ( -0.000 0.000 0.000) 0.000 13.175 ( -0.000 0.000 -0.000) 0.000 13.319 ( -0.000 0.000 0.000) 0.000 13.780 ( -0.000 0.000 0.000) 0.000 13.795 ( -0.000 -0.000 0.000) 0.000 14.122 ( -0.000 0.000 0.000) 0.000 14.126 ( -0.000 0.000 -0.000) 0.000 14.722 ( -0.000 0.000 0.000) 0.000 14.734 ( -0.000 0.000 0.000) 0.000 14.889 ( -0.000 0.000 -0.000) 0.000 14.938 ( -0.000 0.000 -0.000) 0.000 14.960 ( -0.000 0.000 0.000) 0.000 15.202 ( -0.000 -0.000 -0.000) 0.000 15.233 ( -0.000 0.000 0.000) 0.000 15.456 ( -0.000 0.000 0.000) 0.000 15.753 ( -0.000 0.000 0.000) 0.000 16.169 ( -0.000 0.000 -0.000) 0.000 16.303 ( -0.000 0.000 0.000) 0.000 16.363 ( -0.000 0.000 0.000) 0.000 16.800 ( -0.000 0.000 0.000) 0.000 17.130 ( -0.000 0.000 0.000) 0.000 17.715 ( -0.000 0.000 0.000) 0.000 18.030 ( -0.000 0.000 0.000) 0.000 18.593 ( -0.000 0.000 -0.000) 0.000 18.631 ( -0.000 0.000 0.000) 0.000 20.531 ( -0.000 0.000 0.000) 0.000 20.602 ( -0.000 0.000 0.000) 0.000 21.082 ( -0.000 0.000 0.000) 0.000 21.528 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 221 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 11.187 0.000 19.495) 22.477 1.542 ( 11.454 0.000 -15.579) 19.336 1.766 ( 15.736 0.000 17.747) 23.718 1.776 ( 22.598 0.000 -7.447) 23.793 2.382 ( 3.438 0.000 -3.324) 4.782 2.496 ( 5.305 0.000 1.035) 5.405 2.560 ( 0.318 0.000 3.782) 3.795 2.873 ( 23.219 0.000 14.555) 27.404 2.960 ( 9.500 0.000 -2.646) 9.862 2.990 ( 15.764 0.000 -11.528) 19.530 3.028 ( 1.446 0.000 -2.223) 2.652 3.255 ( 1.069 0.000 1.716) 2.022 3.358 ( 0.300 0.000 -4.393) 4.403 3.668 ( 0.860 0.000 0.097) 0.866 3.776 ( 8.626 0.000 4.942) 9.941 3.909 ( -0.690 -0.000 -0.330) 0.765 4.090 ( 0.485 0.000 -1.755) 1.821 4.219 ( -4.411 -0.000 0.840) 4.490 4.415 ( -1.545 -0.000 -6.876) 7.048 4.449 ( 1.542 0.000 0.132) 1.548 4.570 ( -2.719 -0.000 2.295) 3.558 4.743 ( 0.059 0.000 0.165) 0.175 4.782 ( 10.931 0.000 3.393) 11.446 4.865 ( 1.524 0.000 -3.887) 4.175 5.263 ( -3.827 -0.000 1.266) 4.031 5.318 ( -7.169 -0.000 2.995) 7.770 5.558 ( -2.603 -0.000 -1.990) 3.276 5.560 ( 3.680 0.000 -0.850) 3.776 5.661 ( -5.583 -0.000 -3.810) 6.759 5.922 ( -8.778 -0.000 1.601) 8.923 5.996 ( -5.457 -0.000 8.582) 10.170 6.387 ( -3.476 -0.000 -2.623) 4.355 6.474 ( -0.415 -0.000 2.854) 2.884 6.899 ( -0.483 -0.000 -3.830) 3.860 7.173 ( -5.228 -0.000 4.533) 6.919 7.255 ( -3.569 -0.000 0.003) 3.569 7.826 ( 3.437 0.000 -6.441) 7.301 8.046 ( -8.436 -0.000 -0.255) 8.440 8.314 ( -8.545 -0.000 0.627) 8.568 9.078 ( 2.310 0.000 5.863) 6.301 9.183 ( 5.048 0.000 1.381) 5.233 9.262 ( 0.080 0.000 -0.904) 0.907 9.322 ( 3.504 0.000 -5.433) 6.465 9.890 ( 1.731 0.000 2.742) 3.243 9.954 ( -3.146 -0.000 -0.088) 3.147 10.314 ( -4.791 -0.000 2.665) 5.483 10.339 ( -2.256 -0.000 0.111) 2.259 10.657 ( 6.033 0.000 6.148) 8.614 10.889 ( -8.645 -0.000 -11.308) 14.234 11.196 ( -7.967 -0.000 -2.621) 8.387 11.342 ( -3.941 -0.000 1.749) 4.312 11.488 ( -3.805 -0.000 -1.652) 4.149 11.699 ( -2.340 -0.000 0.848) 2.489 11.812 ( 7.710 0.000 -1.464) 7.848 11.837 ( -1.160 -0.000 4.146) 4.305 12.005 ( 7.631 0.000 0.132) 7.632 12.032 ( 2.464 0.000 -3.918) 4.629 12.293 ( 4.880 0.000 5.730) 7.526 12.797 ( -17.939 -0.000 -5.376) 18.727 13.072 ( -6.640 -0.000 0.028) 6.640 13.175 ( -7.670 -0.000 -6.539) 10.079 13.427 ( -8.722 -0.000 11.350) 14.315 13.568 ( -3.629 -0.000 -0.876) 3.733 13.907 ( 4.697 0.000 4.614) 6.584 13.913 ( -2.381 -0.000 2.267) 3.288 14.100 ( -6.790 -0.000 -4.369) 8.075 14.163 ( -6.254 -0.000 0.023) 6.254 14.305 ( -6.722 -0.000 5.858) 8.916 14.354 ( -1.345 -0.000 -1.340) 1.899 14.458 ( 4.890 0.000 0.603) 4.927 14.935 ( -4.214 -0.000 -1.168) 4.373 15.015 ( 1.300 0.000 -10.840) 10.918 15.021 ( 1.460 0.000 1.810) 2.325 15.104 ( 0.883 0.000 -0.508) 1.019 15.389 ( -7.585 -0.000 0.526) 7.603 15.417 ( 2.341 0.000 7.509) 7.866 15.862 ( -2.031 -0.000 -2.709) 3.386 15.955 ( 4.700 0.000 0.552) 4.732 16.018 ( 6.878 0.000 -0.613) 6.906 16.130 ( -0.121 -0.000 -1.706) 1.710 16.806 ( 4.841 0.000 5.475) 7.308 17.267 ( -0.424 -0.000 -5.601) 5.617 17.824 ( 20.526 0.000 8.412) 22.183 18.053 ( -0.849 -0.000 0.775) 1.150 18.101 ( -1.655 -0.000 -0.710) 1.801 18.504 ( 14.694 0.000 -18.881) 23.925 20.249 ( 3.274 0.000 -0.250) 3.284 20.267 ( 2.995 0.000 0.223) 3.003 21.191 ( -7.572 -0.000 6.511) 9.987 21.653 ( -2.118 -0.000 0.998) 2.341 ======================= Grid point 222 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 6.501 -2.397 -8.282) 10.798 1.789 ( 17.585 -3.535 11.204) 21.149 1.973 ( 10.309 2.538 11.513) 15.661 2.190 ( 23.107 -0.607 -4.305) 23.512 2.469 ( 3.762 -3.479 -3.845) 6.406 2.531 ( 3.371 1.922 -0.491) 3.911 2.663 ( 7.504 -5.582 -1.220) 9.432 2.996 ( 2.774 2.963 5.963) 7.213 3.061 ( 5.822 3.587 -2.576) 7.307 3.240 ( 9.698 0.311 -0.331) 9.708 3.275 ( 1.584 -2.808 2.438) 4.042 3.334 ( 11.891 -11.474 3.033) 16.801 3.496 ( 16.383 -3.384 3.838) 17.164 3.695 ( 1.558 -1.122 -3.031) 3.588 3.878 ( -2.288 -0.150 -0.621) 2.376 3.962 ( 6.829 -0.703 -0.649) 6.896 4.115 ( -3.040 0.264 -0.794) 3.153 4.169 ( 7.238 -3.546 -4.535) 9.248 4.395 ( -0.026 0.787 -4.637) 4.704 4.495 ( 4.718 0.225 -0.225) 4.728 4.543 ( -2.833 -4.262 1.902) 5.459 4.703 ( -0.722 3.162 2.591) 4.151 4.889 ( 1.341 -0.739 -2.772) 3.167 4.948 ( 6.824 -0.708 -0.975) 6.930 5.131 ( -7.955 6.136 5.131) 11.281 5.221 ( -6.212 -2.912 2.404) 7.270 5.515 ( 0.154 6.036 -3.166) 6.818 5.570 ( -1.141 -3.058 -2.508) 4.116 5.637 ( 0.284 -0.065 3.336) 3.349 5.804 ( -9.083 -3.938 -0.073) 9.900 5.881 ( -5.198 -0.240 1.383) 5.384 6.315 ( -5.362 -0.565 -2.505) 5.946 6.470 ( -1.728 -2.606 2.402) 3.943 6.865 ( -2.793 1.692 -2.454) 4.085 7.091 ( -3.805 0.877 1.212) 4.088 7.191 ( -5.123 -1.452 0.125) 5.327 7.820 ( -2.080 8.137 -2.076) 8.652 7.918 ( -4.509 -1.414 -3.157) 5.683 8.158 ( -8.867 1.009 4.370) 9.936 9.081 ( 1.440 4.097 3.453) 5.548 9.232 ( -0.958 2.249 -1.659) 2.954 9.271 ( -0.076 -5.702 4.136) 7.044 9.387 ( 1.835 -1.345 -6.656) 7.034 9.910 ( -0.917 0.255 -0.917) 1.322 9.930 ( 2.191 -0.219 5.904) 6.301 10.201 ( -5.139 2.221 2.192) 6.013 10.306 ( -1.746 0.771 -0.355) 1.941 10.693 ( -4.795 -0.657 -8.909) 10.139 10.851 ( 5.309 -2.072 4.266) 7.119 11.105 ( -3.366 -1.007 -1.755) 3.927 11.283 ( -3.227 0.365 1.401) 3.536 11.419 ( -3.907 0.681 -2.880) 4.902 11.629 ( -3.757 3.657 1.724) 5.519 11.829 ( -0.462 -0.420 3.483) 3.539 11.931 ( 3.861 -3.361 -1.872) 5.450 12.013 ( 2.108 5.836 -4.175) 7.479 12.146 ( 1.030 -7.810 -0.633) 7.903 12.392 ( 6.401 0.730 5.658) 8.574 12.570 ( -4.908 2.617 -6.404) 8.482 12.936 ( -6.260 5.097 3.788) 8.917 13.019 ( -4.937 7.741 -0.188) 9.184 13.325 ( -4.444 2.364 6.260) 8.033 13.476 ( -8.819 -3.151 -4.600) 10.434 13.834 ( -8.021 4.745 3.386) 9.916 13.946 ( -1.926 1.827 -0.086) 2.656 13.990 ( -2.094 -1.505 -0.060) 2.580 14.026 ( -9.604 0.969 -1.481) 9.766 14.182 ( -5.105 0.355 1.657) 5.379 14.381 ( 3.248 -3.450 0.352) 4.751 14.589 ( 8.101 -0.541 1.032) 8.184 14.893 ( -0.675 -0.752 -1.601) 1.893 14.982 ( -3.059 1.944 -3.459) 5.010 15.019 ( -1.631 -1.692 -3.664) 4.354 15.161 ( 4.442 0.809 2.378) 5.103 15.258 ( -4.811 -0.800 -6.818) 8.383 15.498 ( 3.716 2.529 10.642) 11.552 15.777 ( -4.810 0.455 1.594) 5.087 16.045 ( 4.911 -1.834 1.015) 5.340 16.122 ( 5.261 0.581 -2.279) 5.763 16.197 ( 3.565 -5.278 -1.812) 6.622 16.870 ( 2.890 1.391 0.506) 3.247 17.248 ( -0.008 3.124 -0.794) 3.223 17.916 ( 3.013 12.885 1.112) 13.279 18.067 ( 2.104 1.715 2.451) 3.657 18.226 ( 6.508 -11.743 4.055) 14.025 18.632 ( 4.036 1.322 -12.904) 13.584 20.334 ( 3.771 -3.932 -0.371) 5.461 20.365 ( 3.504 -6.809 -0.036) 7.658 21.105 ( -2.717 0.865 4.123) 5.012 21.606 ( -2.586 0.725 -0.230) 2.695 ======================= Grid point 223 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 1.824 -2.971 -4.714) 5.863 2.044 ( 7.927 3.668 5.251) 10.192 2.150 ( 12.737 -5.134 5.193) 14.682 2.429 ( 6.766 1.935 -0.263) 7.042 2.567 ( 7.135 -0.588 -8.154) 10.850 2.638 ( 7.223 -0.833 -1.376) 7.400 2.834 ( 5.450 -4.886 -2.401) 7.704 2.997 ( 2.397 4.188 10.114) 11.206 3.155 ( 9.654 4.676 1.933) 10.899 3.291 ( 1.993 -0.635 0.074) 2.093 3.391 ( 7.728 -1.996 2.648) 8.409 3.613 ( 3.707 -2.398 1.188) 4.572 3.648 ( 5.625 -1.972 2.811) 6.590 3.729 ( 1.958 1.467 -7.641) 8.023 3.804 ( -8.330 -3.287 3.566) 9.639 4.043 ( -4.938 -4.183 0.376) 6.483 4.070 ( 3.753 -2.248 2.276) 4.931 4.352 ( 2.908 -1.602 -13.977) 14.365 4.380 ( -1.608 -3.567 -1.727) 4.277 4.538 ( -3.400 -4.941 0.433) 6.013 4.668 ( 12.683 -2.535 4.136) 13.578 4.780 ( 12.177 1.695 -0.646) 12.311 4.905 ( -1.308 -2.651 -0.522) 3.002 4.954 ( -4.620 3.244 13.092) 14.257 4.996 ( 2.015 5.081 -5.686) 7.887 5.188 ( 1.043 -3.445 -0.824) 3.692 5.490 ( 4.118 4.952 2.690) 6.980 5.577 ( -3.578 -0.660 -1.688) 4.011 5.617 ( -1.154 0.510 -2.259) 2.588 5.710 ( -1.187 0.494 1.044) 1.656 5.854 ( -4.548 -5.284 -0.669) 7.004 6.235 ( -4.568 -1.920 -1.625) 5.214 6.480 ( -1.756 -5.459 1.471) 5.920 6.782 ( -3.381 3.333 -2.553) 5.390 7.031 ( -2.871 0.326 -1.273) 3.157 7.119 ( -5.772 -2.355 0.388) 6.246 7.653 ( -5.956 7.620 0.060) 9.672 7.866 ( -3.241 2.723 -1.738) 4.577 8.045 ( -3.530 -0.189 4.042) 5.369 9.060 ( 0.035 2.458 0.445) 2.498 9.191 ( -2.612 0.094 -0.946) 2.779 9.276 ( -6.138 -5.665 5.025) 9.747 9.402 ( 2.839 3.861 -6.463) 8.046 9.926 ( 1.168 -1.977 -2.105) 3.115 9.967 ( 1.427 -1.112 5.593) 5.878 10.114 ( -3.698 1.262 1.902) 4.346 10.291 ( 2.434 2.954 0.796) 3.909 10.615 ( -3.320 0.126 -7.459) 8.165 10.987 ( 5.574 -3.846 7.727) 10.275 11.092 ( -0.188 -1.509 -2.111) 2.602 11.235 ( -1.717 0.585 0.612) 1.914 11.344 ( -3.548 1.706 -5.002) 6.365 11.519 ( -3.636 4.921 1.581) 6.319 11.818 ( -2.245 -1.291 3.013) 3.973 11.974 ( -0.528 4.531 -8.307) 9.477 11.992 ( -1.044 -5.090 -0.553) 5.225 12.214 ( -1.256 -7.260 -0.482) 7.384 12.453 ( 4.132 0.210 -0.776) 4.209 12.618 ( 10.425 4.739 4.197) 12.196 12.791 ( -3.622 6.345 7.955) 10.800 12.891 ( 0.379 9.695 2.014) 9.909 13.209 ( -5.765 3.328 -1.894) 6.921 13.333 ( -11.827 -1.981 -2.512) 12.252 13.579 ( -12.903 7.222 -0.599) 14.799 13.849 ( -9.936 -0.903 -1.416) 10.077 13.859 ( -5.275 0.135 -1.445) 5.471 14.020 ( 0.237 -3.547 1.973) 4.065 14.152 ( 1.183 1.295 0.693) 1.886 14.518 ( 7.549 -4.420 3.595) 9.458 14.700 ( 3.981 -0.387 -1.841) 4.403 14.907 ( -0.138 -1.144 -3.478) 3.664 14.928 ( -0.555 -0.443 2.925) 3.010 14.990 ( -4.334 -2.512 -3.147) 5.916 15.186 ( -5.704 -1.668 -9.995) 11.629 15.239 ( 6.647 3.255 4.388) 8.604 15.492 ( 0.436 3.300 4.361) 5.486 15.756 ( 2.009 0.887 5.455) 5.880 16.149 ( 3.378 -4.410 0.792) 5.611 16.174 ( 2.616 1.310 -2.906) 4.124 16.298 ( 2.009 -4.516 0.084) 4.944 16.870 ( -0.512 2.083 -4.085) 4.614 17.204 ( -1.302 3.575 3.569) 5.217 17.827 ( -1.796 6.216 -1.044) 6.554 18.070 ( 0.881 2.538 2.168) 3.452 18.425 ( 6.371 -6.042 3.201) 9.346 18.649 ( 0.081 0.199 -6.927) 6.930 20.434 ( 3.594 -3.459 -0.534) 5.016 20.485 ( 3.045 -5.655 0.252) 6.427 21.082 ( 0.533 0.815 1.786) 2.034 21.563 ( -1.333 1.083 -0.356) 1.754 ======================= Grid point 224 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.861 -2.026 -3.475) 4.114 2.089 ( 3.570 4.497 3.570) 6.760 2.363 ( 6.185 -3.754 0.386) 7.246 2.475 ( 1.227 -0.878 -2.388) 2.825 2.661 ( 0.328 5.250 2.499) 5.824 2.703 ( 5.177 -0.287 -8.381) 9.855 2.916 ( 0.481 -2.547 -1.982) 3.263 3.021 ( 5.396 6.887 9.747) 13.098 3.222 ( 2.912 1.420 2.368) 4.012 3.353 ( -2.211 0.618 -0.526) 2.355 3.488 ( 4.741 1.941 2.434) 5.672 3.562 ( -0.538 0.009 0.277) 0.605 3.637 ( -3.547 4.319 -0.917) 5.663 3.741 ( 2.956 1.469 -2.454) 4.113 3.889 ( 5.409 -3.153 2.744) 6.835 4.024 ( 0.919 -4.990 -0.925) 5.158 4.150 ( 1.895 -4.597 3.350) 5.996 4.291 ( -4.398 -0.342 -0.557) 4.446 4.450 ( 0.491 -5.360 -9.588) 10.995 4.546 ( -2.119 -5.824 0.843) 6.255 4.709 ( -5.715 3.295 3.465) 7.451 4.806 ( -1.555 2.367 4.525) 5.338 4.876 ( -2.289 -1.256 -3.349) 4.246 4.982 ( 3.044 -2.111 0.809) 3.792 5.176 ( 13.115 -1.437 -2.702) 13.467 5.291 ( 6.450 1.957 1.070) 6.825 5.494 ( -4.554 4.039 -2.257) 6.493 5.535 ( 4.376 -1.252 -0.916) 4.643 5.584 ( -2.517 1.258 2.756) 3.939 5.766 ( 0.016 4.514 -1.974) 4.927 5.786 ( 4.780 -2.456 2.563) 5.954 6.238 ( 0.520 -4.708 0.130) 4.738 6.517 ( -0.887 -6.037 2.284) 6.515 6.713 ( -0.128 3.440 -5.859) 6.796 6.990 ( -2.507 -1.107 0.134) 2.744 7.058 ( -5.019 -4.474 0.848) 6.777 7.506 ( -3.945 4.764 -0.078) 6.185 7.782 ( -2.146 2.665 0.099) 3.422 8.028 ( 0.133 -0.012 1.218) 1.225 9.034 ( -2.043 -0.170 -1.442) 2.507 9.145 ( -4.044 -1.140 1.149) 4.356 9.215 ( -5.861 -5.236 4.362) 8.989 9.434 ( 6.808 4.970 -5.644) 10.144 9.958 ( 0.709 -1.129 0.936) 1.629 10.005 ( 0.032 -2.861 -1.881) 3.424 10.049 ( -2.824 0.953 0.293) 2.995 10.313 ( 3.599 4.214 3.740) 6.686 10.585 ( 0.259 0.182 -1.466) 1.500 11.060 ( -0.021 0.789 4.767) 4.831 11.137 ( 2.625 -4.131 -0.046) 4.894 11.221 ( 0.565 0.915 -0.498) 1.185 11.278 ( -1.511 1.037 -5.910) 6.188 11.442 ( -0.453 3.038 1.630) 3.477 11.785 ( -4.128 -2.809 2.760) 5.705 11.914 ( -0.824 3.063 -5.519) 6.365 12.013 ( -1.402 -3.385 -1.001) 3.798 12.243 ( -3.458 -6.277 -2.210) 7.500 12.538 ( 4.693 1.445 2.408) 5.469 12.644 ( -0.777 5.692 6.019) 8.321 12.777 ( 4.917 1.698 4.654) 6.980 12.823 ( -0.156 9.136 1.164) 9.211 13.109 ( -1.878 2.338 -4.674) 5.553 13.165 ( -5.798 -1.043 -1.650) 6.117 13.337 ( -7.735 2.493 -0.312) 8.133 13.747 ( -5.061 -3.530 -1.153) 6.277 13.794 ( -2.390 -0.516 -0.483) 2.492 14.053 ( -1.159 -4.222 0.929) 4.476 14.160 ( 0.729 1.486 1.905) 2.524 14.664 ( 1.245 -4.205 1.599) 4.667 14.733 ( 1.383 0.063 -3.667) 3.919 14.886 ( -2.522 -1.961 -2.787) 4.240 14.931 ( -2.736 0.540 -0.457) 2.826 14.978 ( 4.610 0.593 3.104) 5.589 15.105 ( -5.973 -4.947 -5.669) 9.607 15.328 ( 8.044 4.752 4.916) 10.557 15.476 ( 0.656 2.483 -2.929) 3.896 15.786 ( 2.874 2.614 6.835) 7.862 16.162 ( -2.576 -1.131 -7.286) 7.810 16.258 ( 3.411 -3.799 3.606) 6.251 16.339 ( -0.711 -1.544 2.218) 2.795 16.824 ( -2.091 1.731 -4.839) 5.548 17.137 ( -4.305 0.758 4.197) 6.060 17.735 ( -4.673 1.683 -1.747) 5.265 18.053 ( -0.057 2.158 1.454) 2.603 18.552 ( 2.625 -3.210 0.881) 4.239 18.642 ( 0.437 0.456 -2.189) 2.279 20.516 ( 3.387 -1.296 -0.714) 3.696 20.577 ( 3.678 -2.183 0.600) 4.319 21.093 ( 1.312 0.978 0.487) 1.708 21.545 ( 0.832 1.480 -0.138) 1.704 ======================= Grid point 225 (97/117) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -3.402 -0.422 -4.475) 5.637 2.087 ( 1.564 4.768 3.351) 6.034 2.406 ( -1.951 4.355 -2.816) 5.541 2.509 ( 0.001 -2.962 -2.471) 3.858 2.548 ( -4.169 5.736 -0.400) 7.102 2.738 ( -0.120 2.718 0.780) 2.830 2.896 ( -3.597 2.577 -2.109) 4.902 3.009 ( -0.748 4.511 6.227) 7.726 3.142 ( -9.308 2.819 -0.169) 9.727 3.326 ( 5.124 -0.972 -0.571) 5.247 3.481 ( -0.275 3.228 0.982) 3.385 3.539 ( -3.109 2.215 -0.239) 3.825 3.672 ( 4.770 -0.591 5.025) 6.954 3.791 ( 2.397 2.361 -5.513) 6.459 3.940 ( 7.231 0.624 -0.307) 7.265 4.145 ( 4.431 0.360 5.380) 6.979 4.216 ( -5.195 -0.284 -3.006) 6.009 4.233 ( 2.987 -3.631 3.281) 5.733 4.509 ( -0.796 -1.320 1.978) 2.508 4.558 ( -1.818 -5.893 -0.830) 6.223 4.629 ( -1.631 -3.553 -0.695) 3.971 4.753 ( -2.197 -0.302 1.193) 2.518 4.862 ( 0.301 2.317 -3.725) 4.397 5.057 ( -1.966 -4.152 0.421) 4.613 5.177 ( -7.106 7.228 -3.792) 10.822 5.212 ( -2.667 7.328 -0.578) 7.820 5.465 ( 1.968 1.407 -0.590) 2.490 5.503 ( -8.833 0.911 -0.951) 8.930 5.618 ( 1.189 2.876 3.163) 4.437 5.713 ( 11.212 0.143 -5.190) 12.356 6.046 ( 15.887 1.752 5.251) 16.824 6.285 ( 0.355 -1.845 0.207) 1.890 6.575 ( 0.784 -4.519 4.244) 6.249 6.712 ( 4.233 2.563 -6.505) 8.173 6.977 ( -1.576 -4.119 2.248) 4.950 7.058 ( -1.431 -6.219 0.537) 6.404 7.434 ( -1.485 0.882 -0.772) 1.891 7.765 ( 1.633 -0.141 -1.165) 2.011 8.041 ( 1.465 -0.222 -0.250) 1.502 8.997 ( -3.147 -1.686 -0.371) 3.589 9.055 ( -9.349 -5.196 2.280) 10.936 9.253 ( 4.351 -3.173 2.850) 6.092 9.512 ( 7.849 4.399 -5.069) 10.328 9.966 ( -0.804 1.163 2.250) 2.658 9.998 ( -3.294 -0.534 -1.976) 3.879 10.014 ( -1.275 -2.952 -5.656) 6.506 10.314 ( 1.895 4.692 5.637) 7.575 10.617 ( 3.388 -0.174 2.010) 3.943 11.040 ( -0.464 0.417 -0.821) 1.031 11.202 ( 0.059 -0.848 2.329) 2.479 11.218 ( 0.378 0.069 -1.368) 1.421 11.273 ( 1.991 0.732 -2.794) 3.508 11.446 ( 2.941 1.051 0.455) 3.156 11.766 ( -1.692 -4.651 5.147) 7.140 11.894 ( -0.542 0.175 1.146) 1.280 12.015 ( -1.196 -2.616 -4.160) 5.057 12.227 ( -5.401 -6.000 -1.694) 8.249 12.526 ( -1.317 5.722 1.196) 5.992 12.585 ( -2.483 1.061 7.295) 7.779 12.678 ( -5.438 4.730 -4.072) 8.277 12.787 ( -0.550 5.704 -5.574) 7.995 13.097 ( 3.682 -1.760 4.836) 6.328 13.255 ( 8.975 -4.156 -1.490) 10.003 13.352 ( 7.597 -4.729 -0.076) 8.949 13.741 ( -1.122 -5.412 -0.604) 5.560 13.794 ( 0.606 -2.253 -0.164) 2.339 14.055 ( -3.662 -3.487 -0.174) 5.059 14.141 ( -1.259 1.265 3.539) 3.964 14.622 ( -7.784 -1.144 -5.233) 9.449 14.683 ( -4.174 0.954 -3.994) 5.855 14.873 ( -4.444 -2.884 -1.900) 5.628 14.973 ( 5.806 -0.640 7.815) 9.757 15.046 ( 5.183 2.139 1.770) 5.880 15.095 ( -0.217 -4.028 -4.544) 6.076 15.397 ( 6.003 6.292 6.065) 10.603 15.450 ( -0.267 2.855 -6.395) 7.008 15.799 ( 2.262 3.389 6.039) 7.285 16.111 ( -4.281 -1.260 -6.798) 8.132 16.290 ( -5.602 -3.727 -1.718) 6.944 16.355 ( 3.306 0.726 5.814) 6.727 16.773 ( -3.047 -0.377 -0.869) 3.191 17.056 ( -6.850 -3.386 1.542) 7.795 17.634 ( -7.784 -2.098 -1.832) 8.267 18.029 ( -1.016 1.017 0.682) 1.591 18.547 ( -4.204 -0.545 -1.008) 4.357 18.681 ( 4.263 1.655 1.125) 4.709 20.569 ( 3.365 1.683 -0.671) 3.822 20.659 ( 5.524 0.870 0.657) 5.631 21.092 ( 0.123 1.962 -0.254) 1.982 21.562 ( 3.014 1.774 0.040) 3.497 ======================= Grid point 226 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -5.904 1.211 -6.346) 8.752 2.043 ( -0.285 7.383 4.284) 8.541 2.203 ( -10.186 11.165 -8.845) 17.511 2.407 ( -5.376 8.744 -3.035) 10.703 2.523 ( -2.237 -0.048 3.632) 4.266 2.686 ( 0.649 5.763 9.284) 10.947 2.776 ( -7.065 0.655 -6.356) 9.526 2.865 ( -9.610 -0.533 -1.961) 9.823 3.104 ( 4.199 2.384 8.380) 9.672 3.340 ( -9.141 5.223 -3.877) 11.219 3.421 ( 6.619 4.121 -1.746) 7.990 3.564 ( 2.861 -1.783 2.470) 4.179 3.692 ( -0.583 1.758 -0.801) 2.018 3.787 ( 2.649 4.752 1.505) 5.645 4.039 ( -1.376 6.203 3.270) 7.146 4.075 ( -2.859 3.463 -3.100) 5.457 4.177 ( -2.872 -0.828 3.649) 4.717 4.344 ( 4.142 -4.045 0.077) 5.791 4.470 ( -0.876 4.416 7.619) 8.850 4.486 ( -7.208 3.259 -4.880) 9.295 4.646 ( -3.570 0.172 1.836) 4.019 4.711 ( -6.188 4.855 -2.292) 8.193 4.847 ( -4.867 -1.933 -5.656) 7.708 4.902 ( 3.263 -4.478 1.299) 5.691 5.089 ( 0.308 8.296 0.455) 8.314 5.253 ( 5.423 -3.852 -2.072) 6.967 5.308 ( -6.623 0.717 -5.309) 8.519 5.514 ( 2.155 -2.334 3.647) 4.837 5.676 ( 4.354 1.413 1.062) 4.699 5.855 ( 7.628 2.619 -4.972) 9.474 6.183 ( 5.379 6.902 3.138) 9.296 6.328 ( 4.340 -0.710 1.573) 4.671 6.599 ( -0.485 0.271 4.033) 4.071 6.795 ( 6.491 0.086 -4.966) 8.173 7.020 ( 1.189 -3.742 2.473) 4.640 7.140 ( 2.789 -8.254 0.580) 8.732 7.431 ( -0.779 -3.787 -1.453) 4.131 7.823 ( 2.770 -3.018 0.239) 4.104 8.091 ( 3.758 -1.666 -2.128) 4.629 8.939 ( -7.408 -4.205 7.300) 11.219 9.005 ( -3.168 -6.149 -4.568) 8.289 9.374 ( 5.453 -2.005 1.788) 6.079 9.586 ( 6.719 5.357 -4.170) 9.551 9.900 ( -4.816 1.106 0.042) 4.942 9.942 ( -3.394 -0.180 -2.471) 4.202 10.045 ( 0.811 -3.709 -3.345) 5.060 10.308 ( 1.929 2.306 6.165) 6.859 10.697 ( 5.084 -1.081 1.264) 5.349 11.002 ( -4.802 1.980 -7.182) 8.863 11.175 ( 1.575 2.027 4.109) 4.845 11.253 ( 2.578 -0.647 1.112) 2.882 11.322 ( 2.298 -2.553 1.245) 3.654 11.512 ( 5.121 -0.771 -0.626) 5.217 11.817 ( 1.548 -3.339 4.888) 6.119 11.843 ( -6.556 -1.784 1.868) 7.046 12.030 ( -1.005 0.085 1.199) 1.567 12.231 ( -0.712 -10.444 -2.739) 10.820 12.424 ( -3.011 5.971 -2.474) 7.130 12.497 ( -3.852 5.438 2.966) 7.294 12.647 ( 0.960 -5.378 -2.715) 6.101 12.753 ( 3.796 2.141 -3.208) 5.412 13.212 ( 5.869 -2.892 1.756) 6.775 13.460 ( 8.872 -5.026 -1.712) 10.340 13.588 ( 11.332 -5.745 2.922) 13.037 13.812 ( 2.090 -6.325 -1.232) 6.775 13.862 ( 2.801 -5.472 -0.034) 6.147 13.997 ( -6.267 -3.530 -1.814) 7.418 14.121 ( 0.195 -0.790 4.746) 4.815 14.486 ( -7.256 1.046 -4.044) 8.372 14.612 ( -4.105 0.049 -5.122) 6.564 14.826 ( -4.995 -3.649 -1.327) 6.326 14.998 ( -1.449 0.629 5.079) 5.319 15.101 ( 4.368 5.096 1.688) 6.921 15.185 ( 6.070 -1.472 -0.147) 6.248 15.381 ( -1.421 2.440 2.362) 3.681 15.430 ( 2.774 6.381 -3.752) 7.905 15.814 ( 3.431 2.846 4.065) 6.033 16.051 ( -3.972 -1.074 -3.881) 5.656 16.202 ( -6.968 -0.620 -0.528) 7.016 16.380 ( 0.746 1.727 0.112) 1.885 16.727 ( -5.489 -3.944 3.347) 7.542 17.002 ( -5.300 -7.395 -0.249) 9.101 17.514 ( -11.303 -5.332 -1.322) 12.567 17.993 ( -3.460 -0.587 0.374) 3.530 18.455 ( -5.878 1.696 -0.479) 6.137 18.719 ( 3.438 4.076 1.221) 5.470 20.595 ( 3.825 5.160 -0.973) 6.496 20.737 ( 6.765 5.031 1.921) 8.647 21.067 ( -0.349 1.270 -1.553) 2.037 21.601 ( 3.722 1.985 -0.077) 4.219 ======================= Grid point 227 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -6.591 3.050 -8.583) 11.244 1.873 ( -6.024 15.798 -11.374) 20.377 1.969 ( -3.284 10.976 1.261) 11.526 2.150 ( -11.225 14.347 5.753) 19.103 2.476 ( -0.956 1.586 2.781) 3.341 2.629 ( -3.919 4.853 -2.859) 6.862 2.690 ( 0.344 2.207 6.673) 7.037 2.790 ( -3.348 -4.658 -2.989) 6.469 3.087 ( -14.122 7.508 -3.169) 16.305 3.151 ( 3.419 4.994 9.699) 11.432 3.449 ( 3.576 6.772 -1.268) 7.762 3.539 ( -5.798 9.641 -5.050) 12.332 3.630 ( -3.225 10.736 -1.966) 11.381 3.724 ( -5.595 6.696 8.273) 12.024 3.883 ( -6.642 5.273 0.508) 8.496 3.925 ( -0.076 0.262 0.080) 0.285 4.154 ( -1.423 4.732 -3.086) 5.826 4.247 ( -5.042 6.139 -5.310) 9.556 4.418 ( -1.576 1.823 6.096) 6.555 4.491 ( 4.023 0.132 2.787) 4.896 4.561 ( -5.055 -3.113 -2.435) 6.417 4.598 ( -1.132 -0.119 2.526) 2.770 4.906 ( -4.098 1.778 -1.638) 4.758 4.986 ( 5.434 -10.931 -4.612) 13.049 5.041 ( 1.166 6.204 3.610) 7.272 5.304 ( 2.910 -4.313 -0.985) 5.295 5.369 ( 6.799 -0.477 -3.189) 7.525 5.594 ( 1.108 -5.609 3.796) 6.863 5.695 ( 0.997 2.975 -2.557) 4.048 5.941 ( 6.867 3.299 -2.922) 8.159 6.154 ( 1.090 7.172 2.071) 7.544 6.413 ( 4.710 0.035 0.465) 4.734 6.577 ( -0.216 2.476 2.163) 3.295 6.885 ( 4.164 0.520 -3.284) 5.329 7.078 ( 1.809 -2.857 0.757) 3.465 7.282 ( 4.949 -4.334 1.658) 6.784 7.485 ( -1.106 -10.926 -1.440) 11.076 7.907 ( 2.864 -5.034 2.662) 6.374 8.192 ( 4.850 -3.893 -2.970) 6.892 8.878 ( -6.048 -5.938 6.494) 10.678 9.036 ( -0.809 -6.318 -3.504) 7.270 9.426 ( 0.497 2.579 -0.956) 2.794 9.595 ( 1.376 7.738 -2.658) 8.297 9.821 ( -4.918 -2.041 0.227) 5.330 9.920 ( 2.174 -0.301 -0.581) 2.271 10.106 ( 1.444 -4.824 -1.222) 5.182 10.348 ( 2.807 -1.638 4.767) 5.770 10.728 ( -6.426 0.656 -7.624) 9.993 10.933 ( 5.654 1.871 1.796) 6.220 11.221 ( 4.703 1.008 2.841) 5.586 11.314 ( 3.153 -1.785 -1.041) 3.770 11.400 ( 2.598 -4.610 3.318) 6.245 11.612 ( 4.225 -2.490 0.429) 4.923 11.744 ( -7.207 -2.811 -1.782) 7.938 11.860 ( 1.144 0.202 5.503) 5.625 11.942 ( -5.589 4.773 2.020) 7.622 12.288 ( -4.719 4.490 0.741) 6.555 12.405 ( 0.310 7.027 -2.295) 7.399 12.453 ( 7.142 -16.947 -4.339) 18.895 12.763 ( 3.542 -8.845 -0.575) 9.545 12.886 ( 10.295 -5.165 2.914) 11.881 13.340 ( 6.521 -2.686 -2.349) 7.434 13.601 ( 3.169 -2.095 -3.357) 5.070 13.783 ( 5.373 -6.378 2.889) 8.825 13.829 ( -6.663 -2.339 -1.212) 7.165 13.948 ( 2.487 -6.429 0.485) 6.910 14.012 ( 2.236 -2.453 2.217) 3.992 14.238 ( 7.584 -7.243 -0.746) 10.514 14.380 ( -4.174 -1.749 -1.881) 4.901 14.540 ( -3.256 1.685 -5.063) 6.251 14.781 ( -4.299 -2.884 0.402) 5.193 14.950 ( -3.039 1.315 2.588) 4.203 15.093 ( 1.102 4.686 2.834) 5.586 15.265 ( 3.661 2.304 3.791) 5.752 15.363 ( 1.311 -0.025 -1.073) 1.694 15.393 ( -0.152 4.351 -4.478) 6.245 15.859 ( 3.641 1.388 2.224) 4.486 16.004 ( -1.995 0.222 0.673) 2.117 16.082 ( -6.725 1.178 -1.506) 6.991 16.347 ( -1.382 4.278 -0.838) 4.573 16.680 ( -5.210 -6.349 -1.561) 8.360 17.036 ( -1.671 -10.321 3.342) 10.977 17.363 ( -14.102 -7.053 0.140) 15.768 17.913 ( -8.917 -3.162 0.528) 9.475 18.329 ( -5.431 4.122 -0.392) 6.829 18.708 ( 1.912 7.606 1.179) 7.931 20.588 ( 4.031 9.705 -2.212) 10.739 20.747 ( 3.468 11.859 5.728) 13.619 21.100 ( 4.313 -3.533 -4.177) 6.967 21.635 ( 2.403 1.911 -0.714) 3.152 ======================= Grid point 228 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -4.451 4.183 -11.275) 12.824 1.644 ( -1.731 17.371 -12.368) 21.395 1.802 ( -1.572 15.223 -0.871) 15.329 1.812 ( -7.562 17.769 14.174) 23.954 2.462 ( -0.796 2.478 -1.529) 3.019 2.524 ( -2.557 4.878 -2.263) 5.954 2.649 ( -8.078 11.921 9.976) 17.518 2.719 ( -4.656 3.757 1.477) 6.162 2.826 ( -2.718 -3.568 -2.838) 5.308 2.996 ( -11.750 16.551 -1.685) 20.368 3.279 ( -0.994 14.936 -0.887) 14.996 3.373 ( -4.579 9.121 6.071) 11.875 3.480 ( 4.999 6.996 0.324) 8.604 3.645 ( -2.355 -0.698 -5.882) 6.374 3.803 ( 1.001 7.558 0.585) 7.647 4.028 ( 3.599 -5.490 3.065) 7.245 4.042 ( -0.150 6.481 -4.120) 7.682 4.189 ( -1.038 0.457 -1.180) 1.637 4.368 ( -5.658 -3.176 2.539) 6.967 4.509 ( -0.556 -1.843 2.231) 2.947 4.557 ( 0.709 -0.011 -3.839) 3.904 4.610 ( -0.071 -0.504 4.296) 4.326 4.780 ( -5.090 5.041 -2.464) 7.576 4.980 ( 0.100 7.356 1.758) 7.564 5.162 ( 2.225 -9.463 -1.051) 9.777 5.426 ( 7.964 -0.147 -3.183) 8.578 5.502 ( 5.783 -4.205 1.672) 7.343 5.633 ( -1.354 -2.005 -0.817) 2.554 5.652 ( -2.965 0.702 1.467) 3.382 5.982 ( 1.528 4.145 -3.795) 5.824 6.144 ( 3.646 1.442 1.318) 4.136 6.465 ( 2.335 1.707 1.760) 3.385 6.547 ( -0.266 3.502 -2.351) 4.226 6.912 ( 0.934 1.457 -0.014) 1.731 7.144 ( 1.883 -4.268 -1.344) 4.855 7.359 ( 2.486 0.617 1.193) 2.825 7.591 ( -1.095 -12.001 0.867) 12.082 8.028 ( 3.785 -7.226 1.022) 8.221 8.314 ( 3.669 -6.330 -0.942) 7.376 8.859 ( -3.779 -6.007 4.432) 8.368 9.088 ( -0.023 -5.398 -2.508) 5.952 9.351 ( -2.266 7.899 -1.294) 8.319 9.500 ( -1.779 8.224 -0.239) 8.418 9.781 ( -3.198 -4.562 -0.618) 5.605 10.013 ( 6.957 -0.428 0.187) 6.973 10.175 ( -0.107 -5.400 1.159) 5.524 10.396 ( -1.615 -1.651 0.734) 2.424 10.580 ( -4.981 0.029 -5.597) 7.493 11.078 ( 9.258 1.262 2.509) 9.675 11.307 ( 5.054 -1.655 2.947) 6.080 11.394 ( 4.447 -2.922 -2.153) 5.741 11.484 ( 1.598 -4.294 2.013) 5.004 11.637 ( -7.907 -7.217 1.633) 10.829 11.722 ( 2.804 -0.868 -2.940) 4.154 11.791 ( -5.167 5.317 0.354) 7.422 11.861 ( 0.191 1.959 4.416) 4.835 12.147 ( -3.508 8.654 -0.687) 9.363 12.345 ( -0.277 5.836 -1.646) 6.070 12.789 ( 7.018 -22.895 -3.282) 24.170 12.923 ( 5.428 -8.484 0.308) 10.076 13.158 ( 11.357 -9.782 7.652) 16.829 13.497 ( 8.571 -4.797 -6.900) 12.003 13.612 ( -1.221 0.611 -3.252) 3.527 13.743 ( -6.557 -4.262 -1.675) 7.998 13.932 ( 3.935 -9.286 1.882) 10.259 14.004 ( 1.271 0.778 3.207) 3.536 14.119 ( 2.989 -7.882 1.706) 8.600 14.262 ( -3.669 -0.819 -2.175) 4.343 14.419 ( -5.627 -2.230 -3.629) 7.057 14.542 ( 7.904 -0.556 -3.269) 8.571 14.745 ( -1.620 0.314 3.804) 4.147 14.896 ( -3.310 -3.022 1.021) 4.597 15.073 ( 0.275 2.449 4.132) 4.811 15.272 ( 2.043 6.005 1.731) 6.575 15.375 ( 0.911 -2.879 -5.061) 5.893 15.415 ( 2.747 -2.957 0.056) 4.037 15.878 ( -0.549 0.291 0.386) 0.731 15.953 ( -4.112 0.585 2.669) 4.938 16.010 ( 2.417 4.432 -1.272) 5.206 16.232 ( -7.084 5.060 -0.103) 8.707 16.715 ( 3.226 -4.276 -6.948) 8.773 17.114 ( -9.158 -15.382 3.614) 18.263 17.236 ( -1.033 -3.088 6.093) 6.909 17.747 ( -16.968 -6.035 -0.285) 18.012 18.208 ( -2.766 6.183 -0.355) 6.783 18.625 ( 0.166 12.982 1.076) 13.028 20.521 ( 2.676 15.493 -3.088) 16.023 20.636 ( -0.102 14.881 6.381) 16.191 21.269 ( 9.248 -6.455 -3.705) 11.871 21.629 ( -1.450 1.594 -1.659) 2.720 ======================= Grid point 229 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 1.927 -0.000) 1.927 1.424 ( 0.000 16.273 0.000) 16.273 1.618 ( 0.000 20.593 0.000) 20.593 1.621 ( 0.000 13.399 -0.000) 13.399 2.294 ( -0.000 10.608 -0.000) 10.608 2.424 ( 0.000 8.909 0.000) 8.909 2.492 ( -0.000 5.799 0.000) 5.799 2.680 ( -0.000 9.925 0.000) 9.925 2.753 ( -0.000 2.752 0.000) 2.752 2.844 ( -0.000 -3.176 0.000) 3.176 3.150 ( -0.000 12.023 0.000) 12.023 3.278 ( -0.000 4.157 0.000) 4.157 3.489 ( -0.000 4.773 0.000) 4.773 3.631 ( 0.000 -2.674 0.000) 2.674 3.735 ( -0.000 7.280 0.000) 7.280 3.970 ( 0.000 4.474 0.000) 4.474 4.130 ( -0.000 0.854 0.000) 0.854 4.194 ( -0.000 -4.855 0.000) 4.855 4.336 ( -0.000 -5.062 0.000) 5.062 4.539 ( 0.000 7.840 0.000) 7.840 4.544 ( -0.000 -4.125 -0.000) 4.125 4.584 ( -0.000 -1.870 0.000) 1.870 4.699 ( 0.000 3.647 0.000) 3.647 4.907 ( 0.000 6.962 0.000) 6.962 5.253 ( 0.000 -6.145 0.000) 6.145 5.492 ( -0.000 4.946 0.000) 4.946 5.546 ( 0.000 4.245 0.000) 4.245 5.596 ( -0.000 -2.676 0.000) 2.676 5.727 ( -0.000 -13.972 0.000) 13.972 5.939 ( 0.000 4.251 0.000) 4.251 6.175 ( -0.000 2.306 0.000) 2.306 6.464 ( 0.000 2.308 0.000) 2.308 6.500 ( -0.000 3.393 -0.000) 3.393 6.908 ( 0.000 0.597 0.000) 0.597 7.209 ( 0.000 -4.931 0.000) 4.931 7.367 ( -0.000 1.857 0.000) 1.857 7.674 ( -0.000 -7.510 0.000) 7.510 8.137 ( -0.000 -6.805 0.000) 6.805 8.417 ( -0.000 -6.116 0.000) 6.116 8.885 ( -0.000 -6.245 0.000) 6.245 9.135 ( 0.000 -4.445 0.000) 4.445 9.233 ( -0.000 10.266 0.000) 10.266 9.402 ( -0.000 8.168 0.000) 8.168 9.812 ( 0.000 -5.996 0.000) 5.996 10.088 ( -0.000 3.522 0.000) 3.522 10.195 ( 0.000 -4.865 0.000) 4.865 10.365 ( 0.000 -1.021 0.000) 1.021 10.589 ( -0.000 -3.941 0.000) 3.941 11.134 ( 0.000 3.444 0.000) 3.444 11.378 ( -0.000 -1.405 0.000) 1.405 11.521 ( 0.000 -4.006 0.000) 4.006 11.528 ( -0.000 -2.174 -0.000) 2.174 11.599 ( -0.000 -6.714 0.000) 6.714 11.699 ( -0.000 -0.798 0.000) 0.798 11.781 ( -0.000 -0.976 0.000) 0.976 11.825 ( 0.000 2.787 0.000) 2.787 12.032 ( -0.000 7.192 0.000) 7.192 12.277 ( 0.000 6.599 0.000) 6.599 13.024 ( -0.000 -13.424 0.000) 13.424 13.095 ( -0.000 -11.482 0.000) 11.482 13.374 ( 0.000 -8.331 0.000) 8.331 13.587 ( -0.000 1.158 0.000) 1.158 13.629 ( -0.000 -5.053 0.000) 5.053 13.773 ( 0.000 -8.868 0.000) 8.868 13.996 ( -0.000 0.754 0.000) 0.754 14.090 ( 0.000 -11.764 0.000) 11.764 14.220 ( 0.000 -6.379 0.000) 6.379 14.253 ( 0.000 -5.821 0.000) 5.821 14.338 ( -0.000 1.738 0.000) 1.738 14.634 ( -0.000 -1.680 0.000) 1.680 14.723 ( 0.000 -0.684 0.000) 0.684 14.914 ( 0.000 -4.745 0.000) 4.745 15.049 ( -0.000 2.264 0.000) 2.264 15.218 ( -0.000 7.366 0.000) 7.366 15.456 ( -0.000 -3.840 0.000) 3.840 15.494 ( -0.000 -9.305 0.000) 9.305 15.863 ( -0.000 -0.274 0.000) 0.274 15.914 ( -0.000 1.435 0.000) 1.435 16.012 ( 0.000 9.837 0.000) 9.837 16.058 ( -0.000 3.045 0.000) 3.045 16.797 ( 0.000 -1.814 0.000) 1.814 17.094 ( 0.000 -9.795 0.000) 9.795 17.453 ( 0.000 -12.440 0.000) 12.440 17.514 ( -0.000 -3.657 0.000) 3.657 18.123 ( 0.000 6.145 0.000) 6.145 18.463 ( -0.000 18.817 0.000) 18.817 20.375 ( -0.000 16.150 0.000) 16.150 20.473 ( -0.000 17.965 0.000) 17.965 21.473 ( 0.000 -9.502 0.000) 9.502 21.557 ( -0.000 3.448 0.000) 3.448 ======================= Grid point 233 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 2.609 0.000 -4.561) 5.254 2.070 ( 16.354 0.000 4.389) 16.933 2.112 ( 5.373 0.000 6.102) 8.130 2.479 ( 0.117 0.000 -0.069) 0.136 2.545 ( 14.107 0.000 -17.099) 22.167 2.630 ( 10.516 0.000 5.196) 11.730 2.770 ( 6.413 0.000 -2.023) 6.725 3.054 ( 4.285 0.000 14.092) 14.729 3.255 ( 11.660 0.000 -0.443) 11.668 3.271 ( 0.311 0.000 -0.470) 0.564 3.364 ( 6.509 0.000 3.035) 7.181 3.494 ( 15.745 0.000 3.501) 16.129 3.684 ( 3.158 0.000 1.338) 3.430 3.720 ( 1.904 0.000 -1.827) 2.639 3.793 ( -6.198 -0.000 -0.473) 6.216 3.987 ( -7.979 -0.000 0.834) 8.022 4.052 ( 4.192 0.000 4.995) 6.521 4.304 ( 5.791 0.000 -14.199) 15.335 4.374 ( -4.376 -0.000 -5.773) 7.244 4.467 ( -2.904 -0.000 0.906) 3.042 4.652 ( 10.718 0.000 2.512) 11.009 4.799 ( 13.085 0.000 2.153) 13.261 4.869 ( -3.041 -0.000 -0.824) 3.151 5.017 ( -6.843 -0.000 12.304) 14.079 5.072 ( 7.448 0.000 -6.529) 9.905 5.120 ( -3.555 -0.000 -1.320) 3.792 5.549 ( 1.538 0.000 -2.955) 3.332 5.593 ( 2.875 0.000 0.513) 2.921 5.622 ( -1.316 -0.000 -0.690) 1.486 5.651 ( -5.624 -0.000 3.706) 6.735 5.829 ( -0.154 -0.000 -1.901) 1.907 6.215 ( -5.892 -0.000 -2.298) 6.324 6.417 ( -2.700 -0.000 2.262) 3.522 6.820 ( -3.441 -0.000 -1.847) 3.905 7.035 ( -3.355 -0.000 -2.048) 3.930 7.089 ( -6.477 -0.000 -0.048) 6.477 7.737 ( -9.603 -0.000 -0.091) 9.604 7.893 ( -1.254 -0.000 -2.397) 2.705 8.043 ( -4.264 -0.000 5.105) 6.651 9.114 ( 0.093 0.000 4.043) 4.044 9.149 ( -6.201 -0.000 -2.791) 6.800 9.227 ( -4.467 -0.000 3.547) 5.704 9.446 ( 4.652 0.000 -7.037) 8.436 9.898 ( -0.085 -0.000 -2.897) 2.898 9.956 ( 0.801 0.000 6.673) 6.720 10.128 ( -3.831 -0.000 1.957) 4.302 10.327 ( 2.761 0.000 3.219) 4.241 10.617 ( -2.754 -0.000 -10.689) 11.038 10.945 ( 6.037 0.000 6.382) 8.785 11.075 ( 0.124 0.000 -1.596) 1.601 11.241 ( -1.724 -0.000 1.023) 2.005 11.360 ( -3.422 -0.000 -4.035) 5.291 11.584 ( -4.221 -0.000 3.768) 5.659 11.830 ( 0.283 0.000 2.179) 2.197 11.888 ( -5.081 -0.000 -3.371) 6.098 12.078 ( -0.941 -0.000 -2.910) 3.058 12.091 ( 0.694 0.000 -4.757) 4.808 12.450 ( 3.734 0.000 2.078) 4.273 12.675 ( 11.137 0.000 2.971) 11.526 12.865 ( -5.601 -0.000 6.544) 8.614 13.020 ( 0.061 0.000 4.390) 4.390 13.264 ( -13.372 -0.000 -6.370) 14.812 13.274 ( -4.716 -0.000 1.334) 4.901 13.719 ( -11.469 -0.000 2.404) 11.718 13.754 ( -13.688 -0.000 -5.379) 14.707 13.875 ( -8.093 -0.000 -1.808) 8.292 13.985 ( -0.131 -0.000 3.627) 3.630 14.166 ( 1.315 0.000 0.660) 1.471 14.466 ( 8.622 0.000 2.508) 8.980 14.694 ( 3.719 0.000 -4.359) 5.730 14.893 ( 1.293 0.000 -3.301) 3.545 14.934 ( -3.944 -0.000 -0.970) 4.062 14.943 ( -2.866 -0.000 3.885) 4.828 15.176 ( -5.642 -0.000 -11.429) 12.746 15.276 ( 7.185 0.000 3.681) 8.073 15.535 ( -0.336 -0.000 6.509) 6.518 15.767 ( 3.117 0.000 6.838) 7.515 16.094 ( 2.461 0.000 -2.347) 3.401 16.199 ( 0.756 0.000 -4.106) 4.175 16.238 ( 6.180 0.000 1.426) 6.343 16.889 ( -1.131 -0.000 -2.387) 2.641 17.244 ( -2.770 -0.000 2.996) 4.080 17.900 ( -7.050 -0.000 -1.970) 7.320 18.110 ( 0.454 0.000 2.008) 2.059 18.342 ( 10.834 0.000 5.721) 12.252 18.653 ( -0.684 -0.000 -9.392) 9.417 20.396 ( 5.381 0.000 -0.737) 5.431 20.422 ( 6.155 0.000 0.720) 6.197 21.092 ( 0.326 0.000 2.014) 2.041 21.576 ( -1.214 -0.000 -0.414) 1.283 ======================= Grid point 234 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 1.369 -0.804 -2.268) 2.769 2.165 ( 2.687 2.466 3.121) 4.801 2.293 ( 8.362 -2.404 -0.335) 8.707 2.473 ( 0.481 0.083 -0.531) 0.721 2.717 ( 9.684 1.554 -11.270) 14.940 2.739 ( 0.984 2.220 0.087) 2.430 2.845 ( 1.502 -3.509 -1.772) 4.208 3.181 ( 11.978 6.943 15.242) 20.591 3.265 ( 1.595 2.327 -0.536) 2.872 3.364 ( -4.866 0.006 1.319) 5.041 3.474 ( 7.495 -2.444 0.268) 7.888 3.618 ( -2.830 4.099 1.804) 5.297 3.712 ( 0.193 2.119 4.359) 4.851 3.774 ( 7.004 1.633 -3.769) 8.120 3.812 ( 10.517 -3.429 1.546) 11.169 3.915 ( -0.423 -4.520 -0.032) 4.540 4.080 ( -0.705 -1.887 3.353) 3.912 4.249 ( -8.107 -3.036 0.196) 8.660 4.376 ( 0.803 -1.565 -12.944) 13.063 4.444 ( -1.839 -3.245 -0.069) 3.730 4.705 ( -3.435 -1.432 0.664) 3.780 4.796 ( -5.728 -2.637 2.308) 6.715 4.900 ( -4.949 3.909 10.689) 12.411 5.040 ( 2.145 4.608 -3.649) 6.257 5.140 ( 16.774 -2.655 -6.889) 18.327 5.292 ( 13.130 -1.070 -0.454) 13.182 5.537 ( -1.843 2.047 0.531) 2.805 5.574 ( -0.059 2.692 -1.659) 3.163 5.596 ( -0.367 -0.505 -0.342) 0.712 5.713 ( 3.091 -3.329 1.419) 4.759 5.863 ( 7.517 3.492 1.485) 8.421 6.151 ( -2.071 -2.916 -0.761) 3.657 6.405 ( -0.683 -3.964 1.256) 4.214 6.767 ( -1.003 1.784 -3.715) 4.241 6.977 ( -5.823 -0.889 -1.770) 6.150 6.982 ( -5.388 -1.845 -0.202) 5.699 7.578 ( -7.566 1.976 0.042) 7.820 7.830 ( -3.526 1.568 1.822) 4.267 8.029 ( 0.913 0.123 1.416) 1.689 9.033 ( -6.086 0.074 -2.950) 6.764 9.121 ( -7.999 -0.903 3.661) 8.843 9.137 ( -0.053 -2.203 2.497) 3.330 9.514 ( 5.566 2.616 -5.652) 8.352 9.907 ( -0.473 -2.535 -4.490) 5.178 9.974 ( 1.194 -0.353 3.831) 4.028 10.075 ( -2.528 0.872 1.865) 3.260 10.383 ( 4.455 2.154 4.945) 6.996 10.593 ( 0.238 0.374 -4.483) 4.505 11.038 ( 3.365 -1.643 7.239) 8.150 11.097 ( 2.087 -0.547 -2.212) 3.090 11.238 ( 1.604 0.531 -0.338) 1.723 11.299 ( -3.371 0.752 -6.079) 6.992 11.504 ( -3.197 2.369 4.064) 5.688 11.763 ( -4.817 1.488 -0.190) 5.046 11.873 ( -2.479 -5.812 -0.708) 6.358 12.026 ( -0.055 4.184 -6.083) 7.384 12.125 ( -1.821 -5.265 -3.738) 6.709 12.549 ( 6.801 -0.084 5.417) 8.695 12.759 ( -3.954 3.959 7.916) 9.693 12.835 ( 6.373 3.032 7.437) 10.252 12.983 ( -3.042 6.349 -0.555) 7.062 13.094 ( -5.852 -4.281 0.947) 7.313 13.171 ( -4.474 1.592 -7.879) 9.199 13.443 ( -11.767 7.974 -1.494) 14.293 13.628 ( -9.054 -8.212 -2.030) 12.391 13.772 ( -4.782 -1.240 -1.536) 5.174 13.988 ( -0.670 -1.788 3.447) 3.941 14.186 ( 0.903 0.959 1.594) 2.068 14.624 ( 6.556 0.446 1.322) 6.703 14.704 ( -0.301 -2.870 -6.531) 7.140 14.850 ( -4.743 -0.935 -3.734) 6.108 14.939 ( 1.490 0.362 4.534) 4.786 14.963 ( 4.074 -1.521 2.862) 5.206 15.044 ( -8.984 -1.083 -8.857) 12.662 15.397 ( 8.376 1.952 4.301) 9.616 15.541 ( 2.387 2.728 -0.466) 3.654 15.828 ( 3.611 1.219 9.026) 9.798 16.121 ( -0.942 -2.177 -5.610) 6.091 16.187 ( -2.591 -2.243 -3.334) 4.781 16.334 ( 4.969 0.554 3.709) 6.226 16.844 ( -3.589 0.286 -3.476) 5.004 17.155 ( -7.499 0.737 4.089) 8.573 17.763 ( -8.295 0.852 -2.193) 8.622 18.100 ( -0.487 1.851 1.971) 2.748 18.492 ( 4.510 -2.181 1.589) 5.256 18.646 ( 1.424 0.066 -3.728) 3.991 20.493 ( 5.486 -0.766 -0.937) 5.618 20.537 ( 6.398 -1.319 0.869) 6.590 21.111 ( 1.985 0.571 0.704) 2.182 21.572 ( 1.359 0.861 -0.186) 1.619 ======================= Grid point 235 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.506 1.000 -1.570) 1.929 2.163 ( 0.732 2.762 2.384) 3.721 2.408 ( 3.085 -2.491 -0.630) 4.015 2.497 ( 2.106 0.825 -2.179) 3.141 2.652 ( -5.519 3.999 -2.304) 7.194 2.778 ( 0.408 2.172 -2.903) 3.648 2.910 ( 1.277 -0.663 -3.013) 3.339 3.161 ( -12.929 1.506 0.059) 13.017 3.227 ( 3.003 12.149 9.558) 15.747 3.315 ( 6.968 0.743 -1.264) 7.121 3.555 ( 0.997 3.710 1.744) 4.219 3.612 ( -6.757 3.895 -1.430) 7.929 3.648 ( 7.503 -2.115 4.546) 9.024 3.832 ( 2.920 1.635 -5.145) 6.138 3.943 ( 7.806 0.803 0.506) 7.864 4.092 ( -3.007 -6.081 -4.569) 8.179 4.142 ( 12.379 -2.719 7.691) 14.825 4.217 ( 1.342 -3.575 8.484) 9.304 4.379 ( -1.849 -4.651 -7.993) 9.431 4.456 ( -2.200 -4.554 -0.970) 5.150 4.627 ( -5.123 0.728 2.295) 5.661 4.785 ( -4.649 2.115 6.628) 8.367 4.823 ( 2.664 -7.461 -0.955) 7.980 4.982 ( -3.188 1.856 -5.701) 6.790 5.306 ( -1.752 4.088 -7.550) 8.763 5.381 ( -1.773 7.760 1.752) 8.151 5.496 ( 5.524 0.914 0.961) 5.681 5.519 ( -5.893 0.603 -2.043) 6.266 5.654 ( 3.271 0.926 0.308) 3.414 5.753 ( 7.423 2.948 -1.816) 8.191 6.068 ( 17.272 1.091 5.745) 18.235 6.208 ( 1.974 -5.175 0.208) 5.542 6.468 ( 2.201 -5.333 1.396) 5.936 6.761 ( 2.476 2.141 -6.298) 7.097 6.885 ( -6.005 -4.224 -0.817) 7.388 6.959 ( -1.028 -3.444 2.219) 4.224 7.463 ( -4.192 1.272 -0.105) 4.382 7.783 ( -0.128 1.396 0.343) 1.444 8.043 ( 0.998 0.421 0.465) 1.179 8.942 ( -7.219 -3.467 -3.691) 8.818 8.984 ( -8.801 -1.709 5.453) 10.494 9.199 ( 4.660 -2.115 1.051) 5.224 9.582 ( 6.068 2.804 -4.343) 7.972 9.915 ( -2.943 -4.386 -5.588) 7.690 9.997 ( 1.391 1.475 1.410) 2.469 10.027 ( -1.570 1.230 1.047) 2.252 10.409 ( 1.759 4.179 5.100) 6.825 10.611 ( 1.990 -0.305 1.722) 2.650 11.065 ( -0.767 1.002 4.575) 4.746 11.161 ( 3.727 -1.414 -1.632) 4.307 11.225 ( -1.725 0.435 -4.693) 5.019 11.287 ( 2.144 0.055 -1.642) 2.701 11.463 ( -0.120 0.422 2.928) 2.960 11.696 ( -2.847 -1.739 1.494) 3.656 11.867 ( -4.049 -3.451 -0.889) 5.394 12.001 ( 1.048 1.900 -4.090) 4.630 12.129 ( -2.893 -3.962 -2.392) 5.458 12.601 ( -0.168 3.701 6.766) 7.714 12.661 ( -2.940 3.846 4.698) 6.746 12.785 ( -7.507 4.655 2.533) 9.189 12.886 ( 0.009 2.811 -5.748) 6.399 13.082 ( 1.273 -0.243 2.659) 2.958 13.201 ( 4.373 0.693 -2.697) 5.184 13.284 ( 2.916 -1.527 -1.527) 3.628 13.605 ( -4.040 -8.349 -0.443) 9.286 13.736 ( -2.361 -3.294 -1.079) 4.194 13.993 ( -1.855 -2.291 2.420) 3.814 14.165 ( -2.427 1.113 3.170) 4.145 14.593 ( -5.036 -0.487 -6.023) 7.866 14.724 ( -3.928 2.044 -5.548) 7.098 14.823 ( -2.973 -1.667 0.355) 3.426 14.963 ( 4.289 -4.156 -3.719) 7.036 14.982 ( 0.533 -1.369 5.781) 5.965 15.070 ( 5.824 -1.120 0.564) 5.957 15.499 ( 5.820 4.772 3.091) 8.136 15.549 ( 4.401 5.022 -2.878) 7.271 15.857 ( 1.427 1.904 9.635) 9.924 16.087 ( -4.174 -1.064 -8.016) 9.100 16.169 ( -5.078 -6.418 -3.714) 8.987 16.390 ( 3.286 2.361 6.652) 7.786 16.774 ( -4.633 -0.442 -3.783) 5.997 16.999 ( -11.540 -1.865 3.856) 12.309 17.612 ( -9.775 -0.489 -2.037) 9.997 18.062 ( -1.833 1.871 1.236) 2.897 18.521 ( -2.187 -1.613 -1.757) 3.236 18.709 ( 5.758 1.064 0.799) 5.910 20.584 ( 5.038 0.065 -0.892) 5.117 20.654 ( 6.346 -0.870 0.748) 6.449 21.134 ( 1.876 1.860 0.070) 2.642 21.603 ( 4.041 1.969 0.024) 4.495 ======================= Grid point 236 (105/117) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.584 4.477 -2.512) 5.167 2.147 ( 0.712 3.286 2.952) 4.474 2.399 ( -5.650 7.288 -8.550) 12.575 2.481 ( -1.544 -1.528 5.775) 6.170 2.563 ( 0.812 4.545 -3.109) 5.566 2.733 ( -3.013 1.598 -4.159) 5.379 2.830 ( -8.646 0.035 -2.432) 8.981 2.963 ( -5.651 9.561 3.362) 11.604 3.158 ( 2.383 5.638 9.487) 11.290 3.427 ( -6.242 3.298 -3.859) 8.045 3.462 ( 6.877 0.553 -0.787) 6.944 3.586 ( 4.821 3.549 1.451) 6.160 3.722 ( 1.326 1.132 0.286) 1.767 3.859 ( 3.545 2.562 -1.775) 4.720 4.063 ( -2.734 -4.517 0.036) 5.280 4.113 ( 4.346 -2.464 0.694) 5.044 4.186 ( -2.908 6.950 0.154) 7.536 4.287 ( 5.707 -1.966 6.421) 8.813 4.476 ( 0.120 -3.659 -2.095) 4.218 4.520 ( 2.341 -0.759 2.406) 3.442 4.575 ( 2.125 -7.109 2.509) 7.832 4.709 ( -2.782 -0.795 0.700) 2.977 4.860 ( -3.447 1.854 -3.653) 5.354 4.967 ( -6.846 3.596 -0.186) 7.735 5.101 ( -3.194 -1.845 -0.969) 3.814 5.305 ( -2.397 9.393 -1.155) 9.763 5.358 ( -5.312 2.610 -6.340) 8.673 5.547 ( 3.034 3.807 0.988) 4.967 5.701 ( 4.801 1.122 3.766) 6.204 5.887 ( 8.233 1.128 -6.635) 10.634 6.262 ( 1.064 -0.931 -0.370) 1.462 6.309 ( 10.784 0.891 6.416) 12.580 6.555 ( 1.240 -4.341 2.522) 5.171 6.794 ( 2.490 -1.675 -4.321) 5.261 6.898 ( 1.728 -5.310 -0.662) 5.623 7.019 ( 3.419 -3.476 2.483) 5.471 7.411 ( -1.600 0.102 -0.732) 1.763 7.793 ( 1.631 -0.089 -1.048) 1.941 8.066 ( 2.033 -0.726 -0.314) 2.182 8.831 ( -10.299 -5.664 2.377) 11.992 8.915 ( -3.569 -3.331 0.172) 4.885 9.324 ( 6.652 -2.699 0.559) 7.200 9.653 ( 5.282 1.923 -3.445) 6.593 9.890 ( -4.601 -4.138 -5.054) 7.990 9.951 ( -3.586 2.300 -1.410) 4.488 10.029 ( 2.411 2.360 2.041) 3.943 10.371 ( -1.069 3.544 4.980) 6.206 10.659 ( 1.846 -2.397 2.122) 3.695 11.026 ( -2.055 1.424 -1.602) 2.969 11.174 ( -2.105 -1.955 0.735) 2.966 11.263 ( 4.366 0.761 -0.959) 4.534 11.307 ( 1.525 1.009 0.808) 1.999 11.486 ( 1.540 -2.272 1.160) 2.980 11.731 ( 3.195 -4.752 2.701) 6.331 11.805 ( -6.371 -2.199 -1.578) 6.922 12.025 ( 3.187 0.609 0.373) 3.266 12.112 ( -2.476 -2.032 -1.916) 3.732 12.536 ( -3.789 2.608 7.232) 8.571 12.597 ( -0.698 7.279 -1.656) 7.498 12.609 ( -4.516 0.761 -0.919) 4.671 12.835 ( -1.053 4.684 -6.749) 8.283 13.151 ( 5.331 -2.780 3.502) 6.958 13.354 ( 9.664 -5.745 -0.508) 11.254 13.464 ( 10.628 -5.816 -0.417) 12.123 13.652 ( -0.209 -8.807 -0.032) 8.810 13.752 ( -1.277 -5.535 -0.765) 5.732 13.952 ( -5.633 -1.070 -0.769) 5.785 14.108 ( -3.014 -0.509 6.180) 6.895 14.498 ( -6.244 0.177 -5.469) 8.303 14.626 ( -4.252 1.692 -5.456) 7.121 14.767 ( -4.373 -2.217 -1.774) 5.214 15.003 ( 0.855 0.172 5.569) 5.637 15.129 ( 7.694 -3.734 -0.903) 8.599 15.174 ( 6.534 1.574 0.831) 6.772 15.463 ( -1.404 6.208 -1.147) 6.467 15.587 ( 4.876 7.803 0.868) 9.242 15.864 ( 1.827 1.383 7.569) 7.909 16.026 ( -3.812 -1.317 -5.680) 6.967 16.132 ( -6.236 -5.404 -4.713) 9.503 16.401 ( 0.135 1.099 5.519) 5.629 16.690 ( -6.671 -0.004 -1.510) 6.839 16.850 ( -10.537 -7.719 2.096) 13.229 17.447 ( -11.414 -1.791 -1.009) 11.598 18.001 ( -4.122 1.024 0.422) 4.268 18.477 ( -3.350 0.603 -1.523) 3.729 18.785 ( 5.178 2.540 1.064) 5.865 20.656 ( 4.672 1.370 -0.764) 4.928 20.769 ( 6.680 -0.747 0.633) 6.751 21.128 ( 0.758 3.941 -0.237) 4.020 21.658 ( 5.318 3.205 0.015) 6.209 ======================= Grid point 237 (106/117) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.681 8.009 -3.536) 8.781 2.111 ( -0.672 5.160 3.014) 6.014 2.180 ( -5.215 12.981 -13.522) 19.457 2.435 ( -2.876 8.989 4.673) 10.531 2.506 ( -1.799 3.643 5.062) 6.491 2.654 ( -6.055 0.214 -5.513) 8.192 2.720 ( -4.542 -2.208 -5.045) 7.138 2.817 ( 2.209 9.954 8.679) 13.390 3.181 ( -0.362 2.644 5.637) 6.237 3.253 ( -4.653 4.403 -0.520) 6.427 3.584 ( 6.636 3.337 0.169) 7.429 3.613 ( 2.263 3.871 1.323) 4.675 3.726 ( 2.221 2.613 -4.813) 5.909 3.882 ( 2.126 4.855 3.518) 6.361 3.939 ( -11.687 0.464 -0.663) 11.715 4.047 ( -3.135 8.746 -2.690) 9.672 4.189 ( 2.520 1.134 4.797) 5.536 4.410 ( -2.477 -2.450 -5.759) 6.731 4.434 ( 2.349 4.550 0.885) 5.197 4.509 ( -1.041 5.101 4.812) 7.089 4.638 ( -3.596 5.015 7.367) 9.611 4.642 ( -7.215 9.555 -2.927) 12.326 4.750 ( 1.309 -10.679 -5.941) 12.290 4.876 ( 0.075 -5.687 0.903) 5.759 5.074 ( -5.756 -1.150 -0.799) 5.923 5.295 ( 4.553 -4.257 -1.084) 6.327 5.332 ( 4.574 3.304 -1.490) 5.836 5.566 ( 3.799 3.256 2.343) 5.525 5.745 ( 1.916 2.293 -0.879) 3.115 5.991 ( 6.185 0.907 -6.409) 8.953 6.267 ( 0.198 3.039 1.798) 3.536 6.412 ( 4.098 0.779 3.208) 5.262 6.592 ( -0.028 -1.713 2.963) 3.423 6.877 ( 4.225 -3.190 -4.282) 6.809 7.003 ( 2.975 -5.151 1.705) 6.188 7.124 ( 4.343 -4.721 1.110) 6.510 7.397 ( -0.626 -0.667 -1.229) 1.532 7.828 ( 1.100 -2.488 0.381) 2.746 8.129 ( 3.346 -2.518 -1.546) 4.464 8.747 ( -7.371 -6.991 3.724) 10.820 8.915 ( -1.786 -5.686 -0.417) 5.974 9.434 ( 3.500 -1.092 -0.796) 3.752 9.694 ( 0.960 1.767 -3.998) 4.475 9.833 ( -4.988 2.939 -1.843) 6.076 9.892 ( 0.286 -2.939 0.404) 2.981 10.048 ( 1.450 0.110 0.223) 1.471 10.337 ( -0.268 0.450 4.963) 4.991 10.694 ( -3.078 -3.536 -2.918) 5.522 10.976 ( 0.518 2.280 -1.860) 2.987 11.197 ( 0.978 -4.638 3.886) 6.129 11.298 ( 1.378 1.297 0.162) 1.900 11.342 ( 2.931 -0.633 1.521) 3.362 11.549 ( 1.499 -3.541 1.090) 3.997 11.718 ( -4.704 -0.596 -4.031) 6.223 11.865 ( 6.545 -2.505 5.619) 8.983 12.031 ( -1.439 3.915 2.330) 4.778 12.143 ( 1.832 -8.404 -2.598) 8.986 12.412 ( -4.517 5.727 2.772) 7.803 12.530 ( 0.271 5.298 -5.164) 7.403 12.627 ( 2.198 -4.246 2.085) 5.216 12.829 ( 3.455 -1.322 -3.023) 4.778 13.280 ( 6.342 -3.242 0.786) 7.166 13.544 ( 6.691 -3.071 -2.802) 7.877 13.659 ( 3.098 -6.687 3.125) 8.005 13.755 ( -6.567 -6.985 0.853) 9.624 13.826 ( 7.816 -5.738 -1.227) 9.774 13.894 ( 0.382 -7.738 -4.157) 8.792 14.102 ( -0.054 -3.660 7.122) 8.007 14.389 ( -5.426 1.439 -3.519) 6.625 14.548 ( -4.057 0.231 -5.526) 6.859 14.730 ( -2.797 -2.497 -0.990) 3.878 15.002 ( 0.768 3.599 5.493) 6.612 15.207 ( 0.436 5.795 0.463) 5.830 15.267 ( 5.397 -1.416 -0.471) 5.600 15.388 ( 0.088 2.744 0.048) 2.746 15.539 ( -0.109 8.581 -1.664) 8.742 15.895 ( 2.457 1.796 3.590) 4.706 15.992 ( -1.692 -1.210 -0.562) 2.155 16.072 ( -4.784 -2.133 -2.170) 5.669 16.396 ( -0.323 0.255 -0.766) 0.870 16.553 ( -9.932 -4.563 1.321) 11.009 16.825 ( -5.059 -10.680 0.358) 11.823 17.275 ( -11.441 -2.446 1.708) 11.824 17.895 ( -7.890 0.707 -0.382) 7.930 18.405 ( -2.669 3.340 -1.156) 4.429 18.825 ( 3.672 4.392 0.733) 5.772 20.710 ( 4.434 2.910 -1.011) 5.399 20.886 ( 6.633 0.732 1.820) 6.917 21.086 ( -0.172 3.987 -1.105) 4.141 21.704 ( 4.558 4.432 -0.308) 6.365 ======================= Grid point 238 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -0.671 10.266 -4.359) 11.173 2.009 ( 1.360 16.829 -6.172) 17.976 2.012 ( -1.284 8.233 -9.323) 12.504 2.211 ( -4.628 20.086 12.582) 24.149 2.475 ( -0.598 -1.113 5.439) 5.584 2.563 ( -3.765 0.542 -6.623) 7.637 2.715 ( -0.221 -2.952 -4.014) 4.988 2.797 ( 1.971 5.545 7.466) 9.506 2.989 ( -6.621 13.276 3.937) 15.349 3.222 ( -2.259 6.064 2.027) 6.781 3.567 ( -0.005 7.633 -3.119) 8.245 3.576 ( -0.236 11.245 -1.892) 11.406 3.660 ( -8.065 10.058 6.132) 14.276 3.709 ( 0.640 7.819 -3.871) 8.749 3.926 ( 3.009 3.418 -0.594) 4.592 3.958 ( 2.018 1.476 0.843) 2.638 4.186 ( 0.230 4.224 -3.037) 5.208 4.221 ( -4.786 7.127 -4.397) 9.645 4.379 ( -6.266 5.536 6.666) 10.693 4.440 ( -5.123 -2.340 -3.199) 6.477 4.545 ( 1.211 -2.066 1.521) 2.837 4.649 ( 5.406 3.155 5.552) 8.366 4.835 ( -4.634 -0.300 -1.906) 5.019 4.940 ( 3.016 -11.249 -3.635) 12.200 5.062 ( -0.933 -2.584 2.509) 3.721 5.364 ( 4.273 -0.287 -0.694) 4.339 5.451 ( 4.437 -5.550 -1.844) 7.341 5.600 ( 3.619 3.465 2.377) 5.545 5.724 ( -1.331 3.123 -1.154) 3.586 6.069 ( 5.069 1.916 -4.633) 7.129 6.197 ( -2.579 5.677 3.026) 6.931 6.474 ( 2.742 -1.159 0.036) 2.978 6.598 ( 0.304 1.085 1.881) 2.192 6.955 ( 3.086 1.280 -3.690) 4.978 7.069 ( 0.545 -2.985 2.141) 3.713 7.274 ( 3.454 -11.974 1.206) 12.521 7.396 ( -0.956 -1.811 -1.322) 2.437 7.887 ( 1.194 -6.006 1.210) 6.241 8.210 ( 2.300 -3.987 -1.453) 4.826 8.729 ( -3.637 -7.171 3.281) 8.684 8.963 ( -0.335 -7.128 -0.427) 7.149 9.455 ( 0.152 2.399 -1.299) 2.733 9.645 ( -1.524 5.178 -4.970) 7.337 9.722 ( -5.117 0.100 2.163) 5.556 9.985 ( 5.274 -3.377 1.367) 6.410 10.079 ( 0.407 -3.241 -0.550) 3.312 10.353 ( 0.456 -1.533 4.690) 4.955 10.600 ( -7.240 0.987 -6.266) 9.625 11.061 ( 8.369 -2.566 0.764) 8.786 11.272 ( 1.167 -5.341 1.455) 5.657 11.301 ( -1.599 -2.586 0.345) 3.059 11.410 ( 3.282 -2.137 2.278) 4.530 11.554 ( -4.225 -1.681 0.311) 4.558 11.694 ( 1.101 -0.677 -2.625) 2.925 11.920 ( -1.658 6.408 2.390) 7.037 11.970 ( 4.498 7.019 3.925) 9.214 12.295 ( -1.987 5.976 1.354) 6.442 12.322 ( 0.995 -21.031 -3.293) 21.311 12.468 ( -0.286 6.461 -3.578) 7.392 12.751 ( 4.169 -8.446 0.825) 9.455 12.965 ( 5.902 -8.874 1.370) 10.745 13.422 ( 6.749 -3.154 -1.684) 7.638 13.613 ( -0.109 -0.465 -2.757) 2.798 13.664 ( -6.668 -3.835 0.101) 7.693 13.771 ( 2.230 -7.192 1.671) 7.713 13.946 ( 2.646 -6.927 -2.836) 7.939 14.023 ( 1.143 -1.440 5.655) 5.946 14.227 ( 1.507 -8.749 -1.033) 8.938 14.323 ( 1.169 -2.310 -2.150) 3.365 14.486 ( -3.242 -2.067 -2.823) 4.770 14.728 ( -0.808 -3.631 -0.854) 3.817 14.944 ( -1.061 8.008 3.671) 8.873 15.123 ( -2.308 3.060 2.511) 4.582 15.335 ( 2.874 1.869 2.184) 4.065 15.406 ( 2.968 1.739 -3.890) 5.193 15.439 ( -1.877 6.270 -1.734) 6.771 15.890 ( -1.075 0.907 -0.535) 1.505 15.951 ( -4.269 -0.680 3.441) 5.525 16.072 ( 4.391 1.757 -1.134) 4.864 16.304 ( -7.890 2.616 0.488) 8.327 16.579 ( 3.457 -9.412 -4.001) 10.796 16.841 ( -8.245 -12.154 0.439) 14.693 17.161 ( -3.931 -3.554 5.622) 7.726 17.726 ( -10.266 2.327 -1.438) 10.624 18.327 ( -1.360 5.561 -0.658) 5.762 18.816 ( 1.791 6.862 0.356) 7.101 20.741 ( 4.043 5.204 -2.075) 6.909 20.891 ( 0.305 11.690 4.293) 12.457 21.124 ( 3.789 -6.748 -2.160) 8.035 21.711 ( 2.034 5.678 -0.742) 6.076 ======================= Grid point 239 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 9.551 0.000) 9.551 1.821 ( 0.000 20.108 0.000) 20.108 1.944 ( 0.000 17.667 -0.000) 17.667 1.953 ( -0.000 13.804 0.000) 13.804 2.484 ( -0.000 4.781 -0.000) 4.781 2.507 ( 0.000 -1.619 0.000) 1.619 2.743 ( 0.000 5.118 0.000) 5.118 2.756 ( -0.000 1.419 -0.000) 1.419 2.769 ( -0.000 15.649 -0.000) 15.649 3.041 ( 0.000 15.136 0.000) 15.136 3.430 ( 0.000 11.999 -0.000) 11.999 3.433 ( -0.000 15.189 0.000) 15.189 3.594 ( -0.000 -0.564 0.000) 0.564 3.624 ( -0.000 8.394 0.000) 8.394 3.902 ( -0.000 7.972 0.000) 7.972 4.006 ( -0.000 -3.261 0.000) 3.261 4.115 ( 0.000 4.373 0.000) 4.373 4.231 ( -0.000 5.372 0.000) 5.372 4.231 ( 0.000 -4.292 -0.000) 4.292 4.435 ( 0.000 -5.237 0.000) 5.237 4.571 ( -0.000 -0.836 0.000) 0.836 4.694 ( -0.000 7.050 -0.000) 7.050 4.740 ( 0.000 0.507 0.000) 0.507 5.044 ( -0.000 4.530 0.000) 4.530 5.079 ( 0.000 -10.892 -0.000) 10.892 5.464 ( -0.000 -10.194 -0.000) 10.194 5.540 ( 0.000 -4.278 0.000) 4.278 5.601 ( -0.000 6.372 0.000) 6.372 5.643 ( 0.000 4.447 0.000) 4.447 6.063 ( 0.000 8.486 -0.000) 8.486 6.158 ( -0.000 -2.654 0.000) 2.654 6.502 ( 0.000 0.715 0.000) 0.715 6.579 ( 0.000 3.254 -0.000) 3.254 6.947 ( -0.000 3.561 0.000) 3.561 7.111 ( 0.000 -4.629 0.000) 4.629 7.384 ( -0.000 0.228 0.000) 0.228 7.453 ( 0.000 -14.475 0.000) 14.475 7.978 ( -0.000 -8.654 0.000) 8.654 8.279 ( -0.000 -6.030 0.000) 6.030 8.765 ( 0.000 -6.295 0.000) 6.295 9.032 ( 0.000 -6.566 0.000) 6.566 9.406 ( 0.000 6.442 0.000) 6.442 9.561 ( -0.000 7.873 0.000) 7.873 9.702 ( 0.000 -4.480 0.000) 4.480 10.094 ( -0.000 -3.781 0.000) 3.781 10.105 ( 0.000 -3.435 0.000) 3.435 10.356 ( 0.000 0.038 0.000) 0.038 10.529 ( -0.000 -0.909 0.000) 0.909 11.188 ( 0.000 0.941 0.000) 0.941 11.324 ( 0.000 -3.632 0.000) 3.632 11.341 ( -0.000 -12.820 0.000) 12.820 11.481 ( 0.000 -2.911 0.000) 2.911 11.494 ( -0.000 0.804 0.000) 0.804 11.723 ( 0.000 -2.612 0.000) 2.612 11.817 ( 0.000 8.205 0.000) 8.205 11.942 ( 0.000 8.042 0.000) 8.042 12.201 ( 0.000 7.911 0.000) 7.911 12.401 ( 0.000 6.048 0.000) 6.048 12.582 ( -0.000 -26.264 0.000) 26.264 12.889 ( -0.000 -9.862 0.000) 9.862 13.144 ( 0.000 -13.210 0.000) 13.210 13.538 ( -0.000 -3.737 0.000) 3.737 13.590 ( 0.000 -1.794 -0.000) 1.794 13.643 ( -0.000 -2.375 0.000) 2.375 13.877 ( -0.000 -8.955 0.000) 8.955 14.013 ( 0.000 0.827 0.000) 0.827 14.055 ( 0.000 -8.950 0.000) 8.950 14.228 ( 0.000 0.481 0.000) 0.481 14.362 ( -0.000 1.188 0.000) 1.188 14.547 ( -0.000 -8.934 0.000) 8.934 14.785 ( -0.000 -7.690 0.000) 7.690 14.838 ( 0.000 9.833 -0.000) 9.833 15.090 ( -0.000 1.048 0.000) 1.048 15.349 ( 0.000 -0.964 0.000) 0.964 15.354 ( -0.000 5.895 -0.000) 5.895 15.429 ( -0.000 0.578 0.000) 0.578 15.864 ( -0.000 0.434 0.000) 0.434 15.920 ( -0.000 -0.229 0.000) 0.229 16.133 ( 0.000 4.128 0.000) 4.128 16.150 ( -0.000 3.324 0.000) 3.324 16.740 ( -0.000 -4.316 0.000) 4.316 16.832 ( 0.000 -14.725 0.000) 14.725 17.227 ( 0.000 -9.444 0.000) 9.444 17.564 ( -0.000 5.762 0.000) 5.762 18.254 ( 0.000 6.618 0.000) 6.618 18.746 ( -0.000 10.130 0.000) 10.130 20.727 ( 0.000 17.327 -0.000) 17.327 20.731 ( -0.000 7.295 0.000) 7.295 21.261 ( 0.000 -10.757 0.000) 10.757 21.660 ( -0.000 6.588 0.000) 6.588 ======================= Grid point 245 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.280 0.000 0.089) 2.282 2.192 ( -0.252 -0.000 1.758) 1.776 2.378 ( 3.636 0.000 -0.131) 3.638 2.504 ( 3.370 0.000 -2.052) 3.945 2.693 ( -5.808 -0.000 -3.006) 6.540 2.807 ( -2.310 -0.000 0.124) 2.313 2.901 ( 7.675 0.000 -5.727) 9.576 3.154 ( -15.599 -0.000 -0.457) 15.605 3.325 ( 5.413 0.000 -4.123) 6.805 3.445 ( 10.973 0.000 10.094) 14.910 3.550 ( 3.622 0.000 3.212) 4.841 3.625 ( 0.690 0.000 5.688) 5.730 3.652 ( -8.628 -0.000 -2.623) 9.018 3.869 ( 5.715 0.000 -2.738) 6.337 3.979 ( 2.409 0.000 -1.824) 3.021 4.019 ( -2.153 -0.000 -1.758) 2.779 4.026 ( 13.106 0.000 2.727) 13.387 4.184 ( 5.352 0.000 11.961) 13.104 4.356 ( -1.170 -0.000 -10.017) 10.085 4.407 ( -0.979 -0.000 -1.145) 1.506 4.646 ( -1.701 -0.000 2.687) 3.181 4.700 ( -2.936 -0.000 4.757) 5.590 4.822 ( -5.831 -0.000 3.487) 6.794 5.019 ( -4.559 -0.000 -5.394) 7.063 5.338 ( 3.634 0.000 -10.758) 11.355 5.484 ( -5.513 -0.000 3.135) 6.342 5.486 ( 11.040 0.000 0.237) 11.043 5.526 ( -5.591 -0.000 -2.394) 6.082 5.665 ( 4.242 0.000 0.657) 4.292 5.786 ( 8.042 0.000 0.052) 8.042 6.093 ( 16.140 0.000 4.563) 16.773 6.134 ( 2.219 0.000 0.571) 2.292 6.406 ( 3.048 0.000 0.394) 3.074 6.799 ( 4.161 0.000 -6.595) 7.797 6.822 ( -8.509 -0.000 -0.583) 8.529 6.928 ( -2.094 -0.000 1.213) 2.420 7.475 ( -5.380 -0.000 0.151) 5.382 7.800 ( -0.815 -0.000 1.917) 2.083 8.049 ( 0.913 0.000 0.409) 1.000 8.903 ( -8.795 -0.000 -2.616) 9.176 8.968 ( -8.373 -0.000 4.049) 9.301 9.177 ( 4.662 0.000 0.405) 4.680 9.614 ( 5.078 0.000 -3.686) 6.275 9.864 ( -2.846 -0.000 -5.446) 6.145 10.012 ( 1.607 0.000 0.852) 1.819 10.042 ( -0.537 -0.000 2.223) 2.287 10.455 ( 1.807 0.000 5.295) 5.595 10.608 ( 0.957 0.000 0.985) 1.373 11.066 ( 0.608 0.000 6.673) 6.701 11.155 ( 5.537 0.000 -3.807) 6.720 11.229 ( -5.130 -0.000 -6.122) 7.987 11.286 ( 3.020 0.000 -0.481) 3.058 11.465 ( -2.595 -0.000 5.784) 6.340 11.693 ( -3.377 -0.000 -1.903) 3.876 11.810 ( -2.943 -0.000 -1.280) 3.209 12.057 ( -1.072 -0.000 -2.168) 2.419 12.063 ( 0.993 0.000 -4.810) 4.912 12.653 ( 3.346 0.000 7.420) 8.140 12.693 ( -5.724 -0.000 8.635) 10.359 12.851 ( -7.862 -0.000 -2.894) 8.378 12.885 ( -4.103 -0.000 0.630) 4.151 13.072 ( 4.131 0.000 0.008) 4.131 13.232 ( 8.778 0.000 -3.633) 9.500 13.323 ( -9.498 -0.000 -1.568) 9.627 13.463 ( -2.869 -0.000 -0.499) 2.912 13.695 ( -3.324 -0.000 -1.525) 3.657 13.971 ( -0.785 -0.000 3.648) 3.731 14.177 ( -3.089 -0.000 2.753) 4.138 14.598 ( -5.593 -0.000 -7.096) 9.036 14.743 ( -3.724 -0.000 -6.815) 7.766 14.822 ( 9.077 0.000 5.180) 10.451 14.875 ( -9.068 -0.000 -6.007) 10.877 14.995 ( 3.289 0.000 5.298) 6.236 15.048 ( 7.083 0.000 -0.132) 7.084 15.558 ( 9.662 0.000 4.602) 10.702 15.603 ( 2.642 0.000 -3.283) 4.214 15.873 ( 0.081 0.000 10.875) 10.875 16.079 ( -2.657 -0.000 -6.472) 6.996 16.091 ( -6.091 -0.000 -5.878) 8.465 16.423 ( 4.440 0.000 4.264) 6.156 16.759 ( -6.618 -0.000 -1.365) 6.758 16.985 ( -12.997 -0.000 2.524) 13.240 17.607 ( -10.373 -0.000 -1.862) 10.539 18.084 ( -2.597 -0.000 1.362) 2.933 18.502 ( -0.884 -0.000 -1.949) 2.140 18.720 ( 6.246 0.000 0.606) 6.275 20.583 ( 5.518 0.000 -0.956) 5.600 20.643 ( 6.556 0.000 0.829) 6.608 21.154 ( 2.619 0.000 0.107) 2.621 21.625 ( 4.419 0.000 0.039) 4.419 ======================= Grid point 246 (110/117) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.087 2.013 0.863) 3.025 2.186 ( 0.455 0.892 2.009) 2.245 2.418 ( 0.373 -1.245 2.631) 2.934 2.541 ( -2.920 4.168 -3.483) 6.167 2.593 ( 0.067 -0.947 -4.238) 4.343 2.753 ( -4.132 -0.024 0.421) 4.153 2.878 ( -10.161 4.467 -4.877) 12.124 2.996 ( -0.921 -3.034 -1.507) 3.510 3.405 ( 2.309 11.658 3.192) 12.306 3.475 ( -9.192 1.461 -4.528) 10.350 3.487 ( 7.884 4.842 2.597) 9.609 3.625 ( 3.800 -0.144 0.371) 3.821 3.710 ( 2.715 -5.353 6.919) 9.160 3.903 ( 1.805 2.302 -3.074) 4.243 3.956 ( -1.763 -3.131 -2.908) 4.622 4.089 ( 8.041 0.513 3.344) 8.724 4.260 ( 1.676 -0.467 8.047) 8.233 4.310 ( 10.635 -7.178 2.839) 13.142 4.327 ( 0.547 1.359 -4.606) 4.833 4.405 ( 0.396 -2.653 -2.887) 3.940 4.593 ( -2.669 3.848 5.794) 7.450 4.709 ( -2.890 -1.159 4.019) 5.084 4.832 ( 6.998 -6.765 0.053) 9.733 4.910 ( -6.954 1.289 -3.996) 8.124 5.251 ( -8.818 8.380 -5.557) 13.374 5.368 ( -7.608 -1.912 -7.351) 10.750 5.445 ( -1.418 3.590 2.110) 4.399 5.610 ( 3.489 1.887 -0.467) 3.994 5.721 ( 5.126 0.742 4.655) 6.964 5.909 ( 6.180 0.918 -5.165) 8.106 6.197 ( 2.399 -2.961 1.528) 4.106 6.348 ( 13.119 1.562 4.061) 13.822 6.466 ( 0.607 -3.196 0.464) 3.286 6.737 ( -1.172 -2.128 -0.833) 2.568 6.864 ( 2.895 -0.138 -6.025) 6.685 6.972 ( 7.201 -1.225 3.328) 8.027 7.410 ( -2.511 -0.124 0.034) 2.515 7.802 ( 1.000 0.551 0.080) 1.144 8.061 ( 0.947 0.048 0.335) 1.006 8.748 ( -10.599 -2.340 0.072) 10.855 8.867 ( -5.118 -1.346 2.088) 5.689 9.282 ( 7.023 -1.180 -0.813) 7.167 9.683 ( 4.143 1.197 -2.396) 4.933 9.811 ( -4.778 -2.822 -5.126) 7.555 9.977 ( -3.006 0.486 -0.649) 3.114 10.092 ( 4.667 2.480 2.405) 5.806 10.425 ( -4.307 1.538 3.235) 5.602 10.621 ( -0.158 -1.102 4.160) 4.306 11.056 ( -1.684 0.835 4.441) 4.822 11.144 ( -3.916 -0.399 -2.914) 4.897 11.260 ( 4.646 -0.689 -8.010) 9.285 11.332 ( 3.889 0.858 4.339) 5.890 11.437 ( -1.908 -1.840 4.008) 4.805 11.677 ( 1.506 -0.439 -1.776) 2.370 11.754 ( -4.860 -2.522 -2.828) 6.163 12.058 ( 3.183 1.809 0.738) 3.735 12.096 ( 1.613 -0.358 -1.322) 2.117 12.580 ( -5.699 2.292 5.010) 7.927 12.614 ( -6.346 -0.593 2.935) 7.017 12.739 ( -2.196 4.975 -2.465) 5.971 12.885 ( 0.807 -0.063 -3.060) 3.165 13.150 ( 3.254 3.004 1.442) 4.658 13.238 ( 3.774 -4.626 -0.431) 5.986 13.396 ( 9.315 -1.599 -1.048) 9.510 13.491 ( 1.009 -6.068 0.379) 6.163 13.663 ( -2.338 -2.741 -1.428) 3.875 13.942 ( -3.943 -0.122 0.820) 4.029 14.101 ( -4.839 -0.195 5.604) 7.407 14.503 ( -5.300 0.290 -6.007) 8.017 14.659 ( -4.732 0.939 -4.696) 6.733 14.745 ( -5.421 0.041 -3.097) 6.243 14.997 ( 7.511 -0.938 2.509) 7.975 15.066 ( 5.974 -1.601 2.657) 6.731 15.182 ( 8.296 -0.164 0.399) 8.308 15.588 ( -1.876 4.948 -1.807) 5.592 15.707 ( 8.169 3.743 3.708) 9.721 15.847 ( -2.654 -2.478 8.615) 9.349 16.006 ( -3.656 -0.501 -5.837) 6.906 16.042 ( -3.289 -2.712 -7.370) 8.514 16.455 ( -0.020 4.028 5.102) 6.500 16.646 ( -8.421 -5.399 0.769) 10.032 16.757 ( -14.073 -0.552 0.174) 14.084 17.429 ( -11.228 -0.328 -0.782) 11.260 18.019 ( -4.783 0.593 0.352) 4.832 18.483 ( -1.201 0.101 -1.909) 2.258 18.819 ( 5.765 0.869 1.108) 5.935 20.667 ( 4.635 0.062 -0.798) 4.703 20.748 ( 5.640 -0.793 0.577) 5.725 21.189 ( 2.419 1.749 -0.131) 2.988 21.708 ( 6.100 1.461 0.130) 6.274 ======================= Grid point 247 (111/117) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 1.285 4.999 0.516) 5.187 2.180 ( -0.185 2.388 2.453) 3.428 2.383 ( -3.555 6.697 -12.308) 14.456 2.434 ( -2.213 -1.808 11.067) 11.430 2.636 ( -0.080 3.410 -4.656) 5.772 2.668 ( -3.276 -1.332 0.204) 3.542 2.711 ( -3.593 4.039 -6.829) 8.710 2.992 ( -1.257 3.719 2.094) 4.449 3.281 ( -2.917 4.183 4.076) 6.528 3.314 ( -3.028 7.799 1.862) 8.571 3.595 ( 5.050 0.840 3.059) 5.964 3.720 ( 3.536 1.615 -0.312) 3.900 3.750 ( 3.993 -0.354 -4.773) 6.233 3.891 ( -1.219 1.260 -4.475) 4.806 3.974 ( 0.299 0.887 5.377) 5.458 4.185 ( -0.031 3.910 0.703) 3.973 4.239 ( 3.582 4.217 4.173) 6.930 4.313 ( 1.342 -3.202 -0.291) 3.484 4.488 ( 2.207 -6.346 -2.459) 7.155 4.508 ( -2.188 1.136 1.234) 2.757 4.590 ( 6.421 -9.219 4.840) 12.233 4.675 ( 0.424 2.038 1.275) 2.441 4.790 ( -5.152 1.091 -2.125) 5.679 4.929 ( -7.526 12.076 0.252) 14.231 5.026 ( -3.185 -2.814 -0.556) 4.286 5.250 ( -3.314 0.385 -4.682) 5.749 5.418 ( 2.022 3.994 -2.173) 4.976 5.629 ( 2.865 1.756 0.993) 3.504 5.795 ( 4.084 2.468 3.117) 5.700 5.982 ( 3.522 -1.117 -7.398) 8.270 6.254 ( 1.134 -2.968 1.375) 3.462 6.454 ( 2.412 0.491 1.430) 2.847 6.496 ( -1.243 -4.407 3.399) 5.702 6.800 ( 4.210 -1.920 -0.857) 4.705 6.944 ( 5.445 -1.418 -1.983) 5.966 7.111 ( 7.637 0.845 1.594) 7.848 7.390 ( -0.566 -0.426 -0.513) 0.875 7.810 ( 0.235 0.234 -0.409) 0.527 8.094 ( 2.449 -1.031 -0.228) 2.667 8.624 ( -8.128 -4.824 0.997) 9.504 8.820 ( -3.597 -3.646 1.724) 5.404 9.407 ( 5.575 -1.257 -1.231) 5.846 9.705 ( -1.545 0.065 -3.077) 3.443 9.794 ( 0.269 -3.924 -3.415) 5.209 9.914 ( -3.197 2.235 0.159) 3.904 10.109 ( 1.435 5.168 1.706) 5.629 10.338 ( -4.088 -1.177 2.478) 4.923 10.625 ( -1.897 -2.607 2.864) 4.313 11.019 ( -0.680 1.681 0.359) 1.848 11.112 ( -1.734 -2.556 2.496) 3.971 11.290 ( -0.669 -2.092 -5.338) 5.772 11.366 ( -0.317 1.297 1.900) 2.322 11.485 ( 4.873 -2.309 3.350) 6.348 11.690 ( -2.964 -2.075 -3.500) 5.034 11.768 ( 4.240 -3.912 -0.960) 5.848 12.097 ( 1.689 2.901 2.308) 4.074 12.120 ( 4.007 2.149 1.218) 4.707 12.483 ( -4.717 1.377 2.715) 5.614 12.540 ( -2.249 -2.038 -0.581) 3.090 12.688 ( 1.885 5.875 -0.048) 6.170 12.833 ( -2.204 3.514 -6.013) 7.305 13.225 ( 6.048 -2.276 2.799) 7.042 13.436 ( 7.661 -9.480 -1.099) 12.238 13.530 ( 1.348 -5.342 2.405) 6.011 13.615 ( 5.417 -4.399 -1.448) 7.127 13.668 ( 0.312 -5.994 -2.583) 6.534 13.850 ( -4.592 -0.113 -1.435) 4.812 14.062 ( -1.471 -1.101 6.994) 7.232 14.413 ( -4.549 0.882 -3.844) 6.020 14.571 ( -3.889 1.900 -3.943) 5.855 14.684 ( -3.591 -2.071 -1.552) 4.426 15.078 ( 5.534 3.871 4.381) 8.050 15.223 ( 7.803 -2.952 -0.561) 8.362 15.293 ( 4.487 2.599 -0.339) 5.196 15.453 ( -6.517 3.298 1.598) 7.477 15.697 ( -0.863 6.644 -1.083) 6.787 15.910 ( 3.494 -0.735 6.348) 7.283 15.965 ( -1.906 -1.122 -3.575) 4.204 16.025 ( -0.711 -1.782 -5.975) 6.275 16.356 ( -6.685 -1.787 4.571) 8.293 16.543 ( -11.188 1.425 -0.785) 11.306 16.622 ( -4.900 -9.154 0.366) 10.389 17.250 ( -10.370 -0.406 1.375) 10.469 17.916 ( -6.712 1.000 -0.644) 6.817 18.457 ( -0.788 1.794 -1.395) 2.405 18.888 ( 4.143 2.026 0.858) 4.690 20.733 ( 3.543 0.108 -0.549) 3.587 20.848 ( 4.656 -2.418 0.278) 5.254 21.192 ( 1.590 4.607 -0.124) 4.875 21.785 ( 5.590 3.171 0.042) 6.426 ======================= Grid point 248 (112/117) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.262 7.925 0.258) 7.933 2.119 ( -2.461 4.141 -1.090) 4.939 2.293 ( 3.196 9.444 -8.769) 13.278 2.439 ( -0.035 -2.134 9.083) 9.331 2.552 ( -2.608 8.110 0.275) 8.524 2.559 ( -4.824 5.642 -2.826) 7.942 2.710 ( 2.631 1.637 -7.769) 8.364 2.886 ( -4.786 3.891 5.809) 8.473 3.189 ( -1.324 5.464 0.837) 5.684 3.293 ( 3.037 3.598 6.083) 7.693 3.629 ( -1.449 0.078 0.145) 1.459 3.699 ( 0.926 2.379 -0.162) 2.558 3.816 ( -1.591 3.941 -2.062) 4.724 3.848 ( 3.721 6.772 -0.011) 7.727 3.962 ( 3.200 2.733 -0.056) 4.208 4.087 ( -2.735 7.159 -2.622) 8.100 4.266 ( 3.481 5.086 6.839) 9.206 4.363 ( -0.549 0.420 -4.101) 4.159 4.455 ( -1.607 -1.883 2.203) 3.314 4.537 ( -4.932 11.588 -3.701) 13.127 4.558 ( -8.031 6.604 -2.038) 10.595 4.670 ( 0.148 -7.971 -0.574) 7.993 4.734 ( 4.501 1.935 4.477) 6.637 4.822 ( -0.946 -3.219 -0.340) 3.372 4.962 ( -3.130 -3.027 1.244) 4.529 5.311 ( 3.076 -6.337 -0.229) 7.048 5.423 ( 2.382 3.161 -1.484) 4.227 5.673 ( 3.937 1.999 0.668) 4.465 5.796 ( 0.633 4.587 0.651) 4.676 6.050 ( 2.313 -2.877 -5.800) 6.875 6.293 ( 0.807 0.259 1.148) 1.427 6.455 ( 0.112 1.799 2.587) 3.153 6.542 ( -0.604 -8.178 1.073) 8.270 6.888 ( 3.210 -3.995 -1.060) 5.233 7.024 ( 2.407 -0.727 -0.039) 2.515 7.190 ( 3.759 2.311 0.749) 4.476 7.390 ( 0.052 -0.092 -0.781) 0.788 7.813 ( -0.242 -1.532 0.285) 1.577 8.150 ( 2.064 -2.122 -0.621) 3.024 8.584 ( -3.761 -6.913 1.078) 7.943 8.824 ( -1.841 -6.331 1.245) 6.710 9.470 ( 1.541 0.027 -1.308) 2.022 9.666 ( -2.655 -0.977 -2.557) 3.813 9.806 ( -2.945 4.981 -1.967) 6.112 9.884 ( 2.287 -4.676 1.382) 5.386 10.072 ( -0.497 1.699 0.279) 1.792 10.332 ( 0.684 -1.439 3.336) 3.697 10.598 ( -3.856 -0.996 -0.975) 4.100 11.025 ( 3.043 -0.592 -0.820) 3.206 11.134 ( -1.313 -5.435 4.241) 7.017 11.287 ( -1.802 -1.491 -2.363) 3.325 11.364 ( 0.006 -3.228 -0.491) 3.265 11.553 ( 1.401 1.452 1.711) 2.646 11.685 ( 1.008 -1.127 -2.107) 2.593 11.907 ( 4.228 -9.694 1.264) 10.651 12.059 ( -0.436 5.700 0.149) 5.719 12.162 ( 2.929 3.630 1.935) 5.050 12.388 ( -3.597 3.037 0.984) 4.809 12.585 ( 2.675 -3.238 -4.819) 6.392 12.641 ( 0.159 6.603 4.257) 7.858 12.819 ( 0.232 -5.364 -3.556) 6.440 13.363 ( 6.720 -3.112 0.761) 7.445 13.540 ( -5.963 -6.003 1.620) 8.615 13.606 ( 2.854 -4.890 -0.616) 5.696 13.649 ( -0.003 -4.233 -0.966) 4.342 13.817 ( 0.864 -7.068 -2.874) 7.679 13.915 ( 8.896 -8.031 -1.684) 12.103 14.059 ( -1.269 -2.156 5.660) 6.189 14.347 ( -0.668 1.937 -1.158) 2.354 14.487 ( -4.252 1.662 -2.906) 5.412 14.657 ( -2.719 -3.227 -0.605) 4.263 15.110 ( 4.250 7.380 4.423) 9.597 15.195 ( -6.451 4.109 0.039) 7.649 15.360 ( 6.471 0.548 -0.166) 6.497 15.433 ( 2.912 0.578 -0.122) 2.972 15.579 ( -4.837 7.081 -3.250) 9.171 15.908 ( -1.257 0.520 -2.466) 2.817 15.935 ( -3.541 -0.389 2.938) 4.618 16.076 ( 4.600 -0.874 1.436) 4.897 16.353 ( -8.229 -1.466 -0.074) 8.359 16.383 ( 1.884 -5.455 -0.156) 5.773 16.625 ( -6.562 -9.703 -1.575) 11.819 17.118 ( -5.523 -0.843 3.557) 6.623 17.784 ( -6.456 2.774 -1.158) 7.121 18.420 ( -0.388 3.686 -0.751) 3.782 18.914 ( 2.160 3.355 0.422) 4.012 20.781 ( 2.237 0.111 -0.381) 2.272 20.950 ( 3.308 -4.448 0.268) 5.550 21.147 ( 0.383 7.560 -0.081) 7.570 21.820 ( 3.249 4.809 -0.133) 5.805 ======================= Grid point 249 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 10.311 0.000) 10.311 2.048 ( -0.000 5.714 0.000) 5.714 2.255 ( 0.000 11.661 -0.000) 11.661 2.318 ( -0.000 19.969 0.000) 19.969 2.478 ( -0.000 1.165 -0.000) 1.165 2.504 ( 0.000 -2.487 0.000) 2.487 2.713 ( 0.000 1.253 -0.000) 1.253 2.819 ( -0.000 1.436 0.000) 1.436 3.122 ( 0.000 11.166 0.000) 11.166 3.250 ( -0.000 7.268 0.000) 7.268 3.603 ( -0.000 0.645 0.000) 0.645 3.676 ( -0.000 6.413 0.000) 6.413 3.702 ( -0.000 11.404 -0.000) 11.404 3.815 ( 0.000 10.128 0.000) 10.128 3.976 ( -0.000 2.412 0.000) 2.412 3.997 ( 0.000 3.173 0.000) 3.173 4.256 ( -0.000 8.384 -0.000) 8.384 4.259 ( 0.000 8.274 0.000) 8.274 4.377 ( 0.000 0.047 0.000) 0.047 4.389 ( 0.000 10.718 -0.000) 10.718 4.519 ( -0.000 -4.161 0.000) 4.161 4.728 ( -0.000 -2.606 0.000) 2.606 4.786 ( 0.000 1.371 0.000) 1.371 4.861 ( 0.000 -9.426 0.000) 9.426 4.997 ( -0.000 -6.751 0.000) 6.751 5.410 ( -0.000 3.012 0.000) 3.012 5.415 ( 0.000 -7.670 -0.000) 7.670 5.699 ( -0.000 1.370 0.000) 1.370 5.738 ( 0.000 6.781 0.000) 6.781 6.101 ( 0.000 -3.147 0.000) 3.147 6.246 ( -0.000 8.371 0.000) 8.371 6.471 ( 0.000 -3.135 -0.000) 3.135 6.596 ( -0.000 -2.645 0.000) 2.645 6.974 ( 0.000 -4.999 -0.000) 4.999 7.047 ( 0.000 -1.413 0.000) 1.413 7.214 ( -0.000 -3.346 -0.000) 3.346 7.389 ( 0.000 0.306 0.000) 0.306 7.840 ( -0.000 -4.423 0.000) 4.423 8.193 ( -0.000 -3.010 0.000) 3.010 8.627 ( 0.000 -7.454 0.000) 7.454 8.882 ( -0.000 -7.892 0.000) 7.892 9.474 ( 0.000 1.017 0.000) 1.017 9.651 ( -0.000 -1.019 0.000) 1.019 9.710 ( 0.000 7.064 -0.000) 7.064 9.970 ( -0.000 -7.014 0.000) 7.014 10.066 ( -0.000 -0.629 0.000) 0.629 10.356 ( 0.000 -0.484 0.000) 0.484 10.546 ( -0.000 1.597 0.000) 1.597 11.127 ( 0.000 -6.115 -0.000) 6.115 11.151 ( -0.000 -5.968 0.000) 5.968 11.281 ( -0.000 -1.066 0.000) 1.066 11.411 ( 0.000 -4.368 0.000) 4.368 11.532 ( -0.000 2.793 0.000) 2.793 11.705 ( 0.000 0.087 0.000) 0.087 11.980 ( 0.000 7.904 0.000) 7.904 12.104 ( 0.000 -19.202 0.000) 19.202 12.115 ( -0.000 8.493 -0.000) 8.493 12.327 ( 0.000 3.615 0.000) 3.615 12.538 ( 0.000 8.622 -0.000) 8.622 12.701 ( -0.000 -8.942 0.000) 8.942 12.908 ( 0.000 -9.985 0.000) 9.985 13.484 ( -0.000 -1.626 0.000) 1.626 13.509 ( 0.000 -6.199 -0.000) 6.199 13.635 ( -0.000 -0.375 -0.000) 0.375 13.723 ( -0.000 -6.862 0.000) 6.862 13.891 ( 0.000 -7.146 0.000) 7.146 14.029 ( 0.000 0.778 -0.000) 0.778 14.135 ( -0.000 -13.006 0.000) 13.006 14.383 ( -0.000 -1.341 -0.000) 1.341 14.389 ( 0.000 1.560 0.000) 1.560 14.669 ( -0.000 -4.278 0.000) 4.278 15.052 ( 0.000 10.978 0.000) 10.978 15.114 ( -0.000 1.479 0.000) 1.479 15.418 ( 0.000 5.599 -0.000) 5.599 15.442 ( -0.000 3.073 -0.000) 3.073 15.455 ( -0.000 1.420 0.000) 1.420 15.883 ( 0.000 1.570 -0.000) 1.570 15.907 ( -0.000 -1.123 0.000) 1.123 16.157 ( -0.000 -2.094 0.000) 2.094 16.223 ( 0.000 4.917 0.000) 4.917 16.551 ( -0.000 -12.947 0.000) 12.947 16.617 ( 0.000 -7.848 0.000) 7.848 17.100 ( 0.000 -3.463 0.000) 3.463 17.679 ( -0.000 5.177 0.000) 5.177 18.372 ( 0.000 5.108 0.000) 5.108 18.891 ( -0.000 5.014 0.000) 5.014 20.798 ( 0.000 0.736 0.000) 0.736 21.000 ( -0.000 5.667 0.000) 5.667 21.093 ( 0.000 -1.566 0.000) 1.566 21.792 ( -0.000 6.178 0.000) 6.178 ======================= Grid point 257 (114/117) ======================= q-point: ( 0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 1.175 0.000 1.147) 1.642 2.206 ( 0.707 0.000 3.507) 3.578 2.402 ( -1.510 -0.000 6.502) 6.675 2.462 ( -5.758 -0.000 -7.069) 9.117 2.639 ( -1.068 -0.000 -2.073) 2.332 2.669 ( 0.387 0.000 -6.056) 6.068 2.773 ( -3.991 -0.000 -0.070) 3.992 3.003 ( 2.145 0.000 -1.862) 2.841 3.290 ( -11.795 -0.000 -3.846) 12.406 3.506 ( 0.011 0.000 -1.221) 1.221 3.639 ( -1.846 -0.000 5.250) 5.565 3.641 ( 2.184 0.000 7.774) 8.075 3.734 ( 11.031 0.000 -5.380) 12.273 3.937 ( 3.133 0.000 -0.118) 3.135 3.977 ( 1.579 0.000 2.432) 2.900 4.196 ( 1.706 0.000 0.360) 1.743 4.307 ( 6.905 0.000 11.715) 13.599 4.354 ( -0.534 -0.000 -5.604) 5.629 4.374 ( -0.389 -0.000 -5.310) 5.325 4.423 ( 7.844 0.000 2.254) 8.162 4.535 ( -5.096 -0.000 1.477) 5.306 4.705 ( -1.546 -0.000 4.908) 5.146 4.814 ( -3.526 -0.000 -0.543) 3.568 4.931 ( 7.780 0.000 1.680) 7.959 5.162 ( -10.583 -0.000 -6.262) 12.297 5.208 ( -5.802 -0.000 -5.718) 8.146 5.470 ( 2.081 0.000 0.530) 2.148 5.640 ( 0.434 0.000 -0.142) 0.457 5.822 ( 5.101 0.000 3.797) 6.358 5.969 ( 1.953 0.000 -6.211) 6.511 6.214 ( 1.030 0.000 2.586) 2.784 6.396 ( -5.079 -0.000 -0.742) 5.133 6.510 ( 4.539 0.000 2.721) 5.292 6.786 ( 6.401 0.000 -0.617) 6.431 6.930 ( 6.136 0.000 -2.220) 6.526 7.121 ( 8.977 0.000 1.284) 9.069 7.383 ( -0.703 -0.000 0.107) 0.711 7.816 ( 0.072 0.000 -0.341) 0.348 8.084 ( 2.054 0.000 0.211) 2.065 8.574 ( -8.524 -0.000 0.174) 8.525 8.782 ( -4.306 -0.000 2.354) 4.907 9.394 ( 6.597 0.000 -1.800) 6.838 9.705 ( -5.478 -0.000 -4.297) 6.962 9.752 ( 3.422 0.000 -1.664) 3.805 9.934 ( -2.288 -0.000 0.611) 2.368 10.189 ( 4.583 0.000 2.009) 5.004 10.302 ( -9.703 -0.000 0.341) 9.709 10.601 ( -1.456 -0.000 5.204) 5.403 11.027 ( -2.156 -0.000 4.785) 5.248 11.105 ( -0.176 -0.000 0.683) 0.705 11.254 ( -2.680 -0.000 -9.336) 9.713 11.371 ( -4.476 -0.000 1.085) 4.606 11.467 ( 8.844 0.000 5.172) 10.245 11.674 ( -2.632 -0.000 -2.314) 3.505 11.726 ( 4.087 0.000 -3.906) 5.653 12.131 ( 4.402 0.000 3.677) 5.735 12.147 ( 3.325 0.000 0.984) 3.467 12.500 ( -5.523 -0.000 2.174) 5.936 12.510 ( -3.714 -0.000 -0.040) 3.714 12.727 ( -1.802 -0.000 -4.869) 5.191 12.939 ( 3.091 0.000 -0.369) 3.113 13.191 ( 1.241 0.000 3.880) 4.074 13.292 ( 6.580 0.000 -3.962) 7.681 13.470 ( 1.459 0.000 3.514) 3.805 13.584 ( 10.334 0.000 -1.927) 10.512 13.609 ( -2.585 -0.000 -2.008) 3.274 13.850 ( -4.855 -0.000 -1.061) 4.970 14.051 ( -1.423 -0.000 6.274) 6.434 14.422 ( -4.256 -0.000 -3.803) 5.708 14.599 ( -2.951 -0.000 -2.310) 3.747 14.657 ( -4.877 -0.000 -2.701) 5.575 15.153 ( 6.708 0.000 2.731) 7.243 15.155 ( 9.443 0.000 0.894) 9.486 15.317 ( 7.397 0.000 -0.418) 7.409 15.491 ( -11.487 -0.000 2.003) 11.660 15.772 ( -2.475 -0.000 -0.245) 2.488 15.888 ( 7.198 0.000 7.438) 10.350 15.956 ( -2.563 -0.000 -5.055) 5.667 16.007 ( 2.304 0.000 -8.463) 8.771 16.361 ( -16.722 -0.000 6.007) 17.768 16.492 ( -1.305 -0.000 1.915) 2.318 16.572 ( -9.124 -0.000 -2.089) 9.360 17.248 ( -10.024 -0.000 1.168) 10.092 17.927 ( -6.368 -0.000 -0.682) 6.405 18.475 ( -0.119 -0.000 -1.439) 1.444 18.908 ( 4.225 0.000 0.911) 4.322 20.732 ( 3.267 0.000 -0.584) 3.319 20.822 ( 3.872 0.000 0.338) 3.887 21.239 ( 2.337 0.000 -0.180) 2.344 21.817 ( 5.797 0.000 0.141) 5.799 ======================= Grid point 259 (115/117) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.162 2.135 0.591) 2.221 2.184 ( -2.111 2.155 2.327) 3.810 2.382 ( -1.825 1.232 -11.320) 11.533 2.387 ( -1.576 -2.026 11.604) 11.884 2.609 ( 1.608 2.355 -5.210) 5.940 2.714 ( -0.848 3.093 -3.816) 4.985 2.736 ( 4.104 1.096 1.632) 4.550 2.992 ( -4.569 6.815 0.014) 8.205 3.148 ( -4.171 -6.181 -1.175) 7.549 3.441 ( 0.116 7.455 2.302) 7.803 3.611 ( -1.865 -0.942 0.767) 2.226 3.691 ( 0.533 -2.383 1.961) 3.131 3.889 ( 6.558 4.059 -3.898) 8.642 3.969 ( 4.508 4.007 2.381) 6.484 4.003 ( 1.219 0.018 3.213) 3.437 4.173 ( -3.950 0.595 -1.382) 4.227 4.311 ( 0.890 2.177 2.242) 3.249 4.396 ( 5.709 4.586 6.729) 9.945 4.439 ( 1.580 -8.251 -6.676) 10.730 4.466 ( -1.031 2.034 -3.187) 3.919 4.558 ( -0.878 -5.967 4.084) 7.284 4.661 ( -2.590 -2.488 2.061) 4.141 4.787 ( -0.317 1.547 -1.497) 2.176 4.939 ( -5.100 12.949 -1.730) 14.025 4.990 ( -0.256 2.617 0.415) 2.662 5.188 ( -1.162 -6.768 -1.682) 7.070 5.491 ( 2.249 3.725 -1.555) 4.621 5.670 ( 2.282 -1.961 0.143) 3.012 5.870 ( 1.698 2.039 2.159) 3.420 5.997 ( 1.067 -1.413 -4.709) 5.031 6.236 ( 0.170 -2.868 2.389) 3.737 6.354 ( -3.025 -6.714 -1.214) 7.464 6.527 ( 0.078 2.647 2.332) 3.529 6.880 ( 4.443 0.968 -0.330) 4.559 7.029 ( 4.626 0.526 -1.175) 4.802 7.233 ( 4.841 1.209 0.949) 5.079 7.383 ( 0.109 -0.474 -0.165) 0.514 7.807 ( -0.588 0.298 -0.177) 0.682 8.124 ( 2.014 -0.573 -0.107) 2.097 8.480 ( -4.307 -2.996 0.066) 5.247 8.733 ( -2.850 -2.483 1.867) 4.216 9.475 ( 2.932 0.414 -1.305) 3.236 9.634 ( -3.374 -1.563 -2.621) 4.549 9.809 ( 2.823 -1.289 -2.345) 3.890 9.895 ( -1.735 2.004 2.069) 3.363 10.131 ( -4.663 3.744 -0.042) 5.980 10.276 ( 1.182 -3.719 1.280) 4.106 10.580 ( -1.652 -0.537 3.218) 3.657 11.007 ( -0.931 -1.100 2.642) 3.009 11.112 ( 1.771 2.415 2.041) 3.624 11.223 ( -2.275 -4.090 -5.067) 6.898 11.299 ( -4.571 -2.379 -1.734) 5.437 11.587 ( 4.812 1.050 3.450) 6.014 11.651 ( -0.289 -0.957 -0.887) 1.337 11.799 ( 3.087 -1.978 -3.188) 4.859 12.165 ( 1.726 4.286 1.700) 4.924 12.210 ( 4.047 0.323 3.619) 5.439 12.418 ( -4.047 0.426 -1.174) 4.236 12.497 ( 0.089 -2.861 0.256) 2.874 12.709 ( -0.729 -1.770 -2.825) 3.413 12.907 ( 0.981 11.925 -0.889) 11.998 13.277 ( 3.892 -5.678 2.578) 7.351 13.402 ( -0.650 -9.768 -2.520) 10.109 13.475 ( 0.583 -1.421 3.092) 3.452 13.576 ( -2.458 -2.759 -2.430) 4.423 13.736 ( 5.838 -0.653 -1.969) 6.196 13.853 ( 4.236 -0.699 -0.868) 4.380 14.043 ( -0.071 -0.237 4.479) 4.486 14.375 ( -0.062 0.731 -1.010) 1.248 14.537 ( -3.706 2.980 -1.906) 5.124 14.597 ( -3.578 -2.998 -1.110) 4.798 15.211 ( -1.179 2.765 3.528) 4.635 15.273 ( 0.571 2.668 0.474) 2.769 15.361 ( 6.346 -0.013 0.617) 6.376 15.424 ( 3.915 -1.034 -0.885) 4.144 15.689 ( -6.481 3.300 -2.521) 7.697 15.907 ( -2.927 -0.084 -4.070) 5.014 15.936 ( -0.199 -0.114 1.752) 1.767 16.085 ( 1.457 2.952 2.315) 4.024 16.193 ( -0.389 -7.454 1.148) 7.552 16.422 ( -6.177 1.885 0.073) 6.459 16.475 ( -5.356 -4.659 -1.167) 7.193 17.114 ( -5.664 0.085 2.404) 6.154 17.822 ( -5.139 0.987 -0.989) 5.326 18.469 ( 0.108 1.278 -0.775) 1.498 18.956 ( 2.206 1.024 0.498) 2.482 20.775 ( 1.724 -0.309 -0.287) 1.775 20.880 ( 2.093 -1.936 0.105) 2.854 21.257 ( 1.340 2.913 -0.096) 3.208 21.887 ( 3.447 1.786 0.062) 3.883 ======================= Grid point 260 (116/117) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 4.893 0.000) 4.893 2.133 ( -0.000 3.356 0.000) 3.356 2.356 ( 0.000 1.186 -0.000) 1.186 2.414 ( -0.000 -4.370 0.000) 4.370 2.590 ( -0.000 6.838 0.000) 6.838 2.645 ( -0.000 9.646 0.000) 9.646 2.805 ( 0.000 8.699 -0.000) 8.699 2.805 ( -0.000 -1.763 0.000) 1.763 3.189 ( -0.000 -3.533 0.000) 3.533 3.386 ( 0.000 6.453 0.000) 6.453 3.595 ( 0.000 -0.844 0.000) 0.844 3.712 ( 0.000 -0.759 0.000) 0.759 3.860 ( -0.000 6.863 0.000) 6.863 3.958 ( -0.000 5.609 0.000) 5.609 4.054 ( 0.000 3.500 0.000) 3.500 4.082 ( -0.000 2.795 0.000) 2.795 4.343 ( 0.000 -3.080 0.000) 3.080 4.407 ( -0.000 1.773 -0.000) 1.773 4.422 ( 0.000 7.924 0.000) 7.924 4.531 ( 0.000 -0.509 -0.000) 0.509 4.575 ( -0.000 -7.240 0.000) 7.240 4.586 ( 0.000 6.262 -0.000) 6.262 4.773 ( 0.000 -0.033 -0.000) 0.033 4.812 ( 0.000 5.633 0.000) 5.633 4.951 ( 0.000 2.983 0.000) 2.983 5.260 ( 0.000 -8.014 0.000) 8.014 5.476 ( -0.000 3.324 0.000) 3.324 5.712 ( -0.000 -0.618 0.000) 0.618 5.850 ( 0.000 4.183 0.000) 4.183 6.030 ( -0.000 -3.379 0.000) 3.379 6.278 ( 0.000 -4.301 -0.000) 4.301 6.428 ( -0.000 -11.749 -0.000) 11.749 6.487 ( -0.000 4.471 0.000) 4.471 6.905 ( 0.000 0.703 -0.000) 0.703 7.053 ( 0.000 1.479 0.000) 1.479 7.253 ( -0.000 2.799 -0.000) 2.799 7.389 ( 0.000 -0.397 0.000) 0.397 7.801 ( -0.000 -0.236 0.000) 0.236 8.151 ( 0.000 -1.289 0.000) 1.289 8.490 ( 0.000 -5.708 0.000) 5.708 8.748 ( -0.000 -5.139 0.000) 5.139 9.487 ( 0.000 0.856 0.000) 0.856 9.625 ( -0.000 -2.000 0.000) 2.000 9.835 ( -0.000 5.171 -0.000) 5.171 9.863 ( -0.000 -3.391 0.000) 3.391 10.073 ( -0.000 1.181 0.000) 1.181 10.322 ( 0.000 -2.931 0.000) 2.931 10.564 ( 0.000 0.167 0.000) 0.167 11.022 ( 0.000 -3.390 -0.000) 3.390 11.109 ( -0.000 1.467 0.000) 1.467 11.237 ( 0.000 -3.513 0.000) 3.513 11.307 ( -0.000 -5.855 0.000) 5.855 11.593 ( -0.000 2.993 0.000) 2.993 11.684 ( 0.000 -2.624 0.000) 2.624 11.858 ( -0.000 -5.356 0.000) 5.356 12.123 ( 0.000 6.366 -0.000) 6.366 12.237 ( -0.000 3.211 0.000) 3.211 12.370 ( 0.000 0.966 0.000) 0.966 12.548 ( -0.000 -5.955 0.000) 5.955 12.727 ( 0.000 0.978 0.000) 0.978 12.792 ( 0.000 7.541 0.000) 7.541 13.363 ( 0.000 -7.211 0.000) 7.211 13.475 ( 0.000 0.747 0.000) 0.747 13.529 ( -0.000 -12.585 -0.000) 12.585 13.603 ( 0.000 -5.145 0.000) 5.145 13.785 ( -0.000 -2.238 0.000) 2.238 13.930 ( 0.000 -4.598 -0.000) 4.598 14.043 ( -0.000 0.580 0.000) 0.580 14.419 ( -0.000 1.259 -0.000) 1.259 14.420 ( 0.000 3.039 0.000) 3.039 14.596 ( 0.000 -3.183 0.000) 3.183 15.140 ( -0.000 1.050 0.000) 1.050 15.246 ( 0.000 7.936 0.000) 7.936 15.467 ( 0.000 -0.062 -0.000) 0.062 15.488 ( 0.000 1.514 0.000) 1.514 15.522 ( -0.000 4.198 0.000) 4.198 15.883 ( 0.000 -1.078 -0.000) 1.078 15.920 ( -0.000 1.789 0.000) 1.789 16.093 ( -0.000 -3.445 0.000) 3.445 16.309 ( 0.000 3.069 0.000) 3.069 16.344 ( -0.000 -7.500 -0.000) 7.500 16.463 ( 0.000 -6.456 0.000) 6.456 17.069 ( 0.000 -0.299 0.000) 0.299 17.757 ( -0.000 2.591 0.000) 2.591 18.450 ( 0.000 2.715 0.000) 2.715 18.959 ( -0.000 2.124 0.000) 2.124 20.794 ( 0.000 -0.589 0.000) 0.589 20.929 ( -0.000 -4.174 0.000) 4.174 21.223 ( 0.000 6.049 0.000) 6.049 21.890 ( -0.000 3.502 0.000) 3.502 ======================= Grid point 271 (117/117) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 -0.000 0.000) 0.000 2.173 ( 0.000 -0.000 -0.000) 0.000 2.360 ( 0.000 -0.000 -0.000) 0.000 2.367 ( -0.000 -0.000 0.000) 0.000 2.660 ( 0.000 -0.000 0.000) 0.000 2.720 ( 0.000 -0.000 0.000) 0.000 2.786 ( 0.000 -0.000 0.000) 0.000 2.987 ( -0.000 -0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 -0.000 0.000) 0.000 3.595 ( -0.000 -0.000 0.000) 0.000 3.688 ( 0.000 -0.000 0.000) 0.000 3.994 ( 0.000 -0.000 -0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 -0.000 0.000) 0.000 4.090 ( -0.000 -0.000 0.000) 0.000 4.343 ( 0.000 -0.000 0.000) 0.000 4.419 ( 0.000 -0.000 -0.000) 0.000 4.436 ( 0.000 0.000 -0.000) 0.000 4.488 ( -0.000 -0.000 0.000) 0.000 4.522 ( -0.000 0.000 0.000) 0.000 4.639 ( 0.000 -0.000 0.000) 0.000 4.761 ( -0.000 -0.000 -0.000) 0.000 4.998 ( -0.000 -0.000 0.000) 0.000 5.014 ( 0.000 -0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 -0.000 0.000) 0.000 5.674 ( -0.000 0.000 0.000) 0.000 5.893 ( 0.000 -0.000 0.000) 0.000 6.000 ( -0.000 -0.000 0.000) 0.000 6.220 ( 0.000 -0.000 0.000) 0.000 6.287 ( -0.000 -0.000 -0.000) 0.000 6.539 ( 0.000 -0.000 0.000) 0.000 6.926 ( -0.000 -0.000 0.000) 0.000 7.075 ( 0.000 -0.000 0.000) 0.000 7.280 ( 0.000 -0.000 -0.000) 0.000 7.381 ( 0.000 -0.000 0.000) 0.000 7.803 ( -0.000 -0.000 0.000) 0.000 8.140 ( 0.000 -0.000 0.000) 0.000 8.429 ( 0.000 -0.000 0.000) 0.000 8.695 ( -0.000 -0.000 0.000) 0.000 9.503 ( -0.000 -0.000 0.000) 0.000 9.594 ( -0.000 -0.000 0.000) 0.000 9.832 ( -0.000 -0.000 0.000) 0.000 9.891 ( -0.000 -0.000 0.000) 0.000 10.095 ( -0.000 -0.000 0.000) 0.000 10.276 ( 0.000 -0.000 0.000) 0.000 10.563 ( 0.000 -0.000 0.000) 0.000 10.995 ( 0.000 -0.000 -0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.187 ( -0.000 -0.000 0.000) 0.000 11.208 ( 0.000 -0.000 0.000) 0.000 11.637 ( -0.000 0.000 0.000) 0.000 11.642 ( 0.000 -0.000 0.000) 0.000 11.818 ( -0.000 -0.000 0.000) 0.000 12.209 ( 0.000 -0.000 -0.000) 0.000 12.248 ( -0.000 -0.000 -0.000) 0.000 12.378 ( 0.000 -0.000 0.000) 0.000 12.485 ( -0.000 -0.000 0.000) 0.000 12.688 ( -0.000 -0.000 0.000) 0.000 13.000 ( 0.000 -0.000 0.000) 0.000 13.267 ( -0.000 -0.000 -0.000) 0.000 13.316 ( -0.000 -0.000 0.000) 0.000 13.501 ( 0.000 -0.000 0.000) 0.000 13.533 ( 0.000 -0.000 0.000) 0.000 13.775 ( -0.000 -0.000 0.000) 0.000 13.896 ( 0.000 -0.000 -0.000) 0.000 14.050 ( -0.000 -0.000 0.000) 0.000 14.432 ( -0.000 -0.000 0.000) 0.000 14.462 ( 0.000 -0.000 0.000) 0.000 14.555 ( 0.000 -0.000 0.000) 0.000 15.151 ( 0.000 -0.000 0.000) 0.000 15.332 ( -0.000 -0.000 0.000) 0.000 15.463 ( 0.000 -0.000 0.000) 0.000 15.502 ( 0.000 -0.000 0.000) 0.000 15.566 ( -0.000 -0.000 0.000) 0.000 15.872 ( 0.000 -0.000 -0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 16.056 ( -0.000 -0.000 0.000) 0.000 16.267 ( -0.000 -0.000 -0.000) 0.000 16.329 ( 0.000 -0.000 0.000) 0.000 16.403 ( 0.000 -0.000 0.000) 0.000 17.069 ( 0.000 -0.000 0.000) 0.000 17.782 ( -0.000 -0.000 0.000) 0.000 18.477 ( 0.000 -0.000 0.000) 0.000 18.980 ( -0.000 -0.000 0.000) 0.000 20.787 ( 0.000 -0.000 -0.000) 0.000 20.887 ( -0.000 -0.000 0.000) 0.000 21.284 ( 0.000 -0.000 0.000) 0.000 21.926 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 1247.409 835.339 878.597 -0.000 -241.454 0.000 3/36000 20.0 177.616 154.042 154.446 -0.000 -26.143 0.000 3/36000 30.0 66.901 57.195 54.909 -0.000 -9.555 0.000 3/36000 40.0 36.633 31.091 29.283 -0.000 -4.959 0.000 3/36000 50.0 24.285 20.534 19.211 -0.000 -3.106 0.000 3/36000 60.0 17.929 15.123 14.129 -0.000 -2.185 0.000 3/36000 70.0 14.129 11.897 11.119 -0.000 -1.657 0.000 3/36000 80.0 11.614 9.767 9.136 -0.000 -1.323 0.000 3/36000 90.0 9.829 8.256 7.731 -0.000 -1.096 0.000 3/36000 100.0 8.495 7.130 6.684 -0.000 -0.932 0.000 3/36000 110.0 7.463 6.258 5.873 -0.000 -0.809 0.000 3/36000 120.0 6.642 5.566 5.229 -0.000 -0.713 0.000 3/36000 130.0 5.975 5.004 4.705 -0.000 -0.636 0.000 3/36000 140.0 5.424 4.539 4.272 -0.000 -0.574 0.000 3/36000 150.0 4.962 4.150 3.910 -0.000 -0.522 0.000 3/36000 160.0 4.570 3.820 3.602 -0.000 -0.479 0.000 3/36000 170.0 4.234 3.538 3.338 -0.000 -0.442 0.000 3/36000 180.0 3.943 3.293 3.109 -0.000 -0.410 0.000 3/36000 190.0 3.690 3.080 2.910 -0.000 -0.382 0.000 3/36000 200.0 3.466 2.893 2.734 -0.000 -0.358 0.000 3/36000 210.0 3.269 2.727 2.578 -0.000 -0.336 0.000 3/36000 220.0 3.092 2.579 2.439 -0.000 -0.317 0.000 3/36000 230.0 2.934 2.447 2.315 -0.000 -0.300 0.000 3/36000 240.0 2.792 2.327 2.203 -0.000 -0.285 0.000 3/36000 250.0 2.663 2.219 2.101 -0.000 -0.271 0.000 3/36000 260.0 2.546 2.121 2.008 -0.000 -0.258 0.000 3/36000 270.0 2.438 2.031 1.924 -0.000 -0.247 0.000 3/36000 280.0 2.340 1.949 1.846 -0.000 -0.236 0.000 3/36000 290.0 2.250 1.873 1.775 -0.000 -0.227 0.000 3/36000 300.0 2.166 1.804 1.709 -0.000 -0.218 0.000 3/36000 310.0 2.089 1.739 1.647 -0.000 -0.210 0.000 3/36000 320.0 2.017 1.679 1.591 -0.000 -0.202 0.000 3/36000 330.0 1.949 1.623 1.538 -0.000 -0.195 0.000 3/36000 340.0 1.887 1.571 1.488 -0.000 -0.189 0.000 3/36000 350.0 1.828 1.522 1.442 -0.000 -0.182 0.000 3/36000 360.0 1.773 1.476 1.398 -0.000 -0.177 0.000 3/36000 370.0 1.722 1.433 1.358 -0.000 -0.171 0.000 3/36000 380.0 1.673 1.392 1.319 -0.000 -0.166 0.000 3/36000 390.0 1.627 1.354 1.283 -0.000 -0.162 0.000 3/36000 400.0 1.584 1.318 1.249 -0.000 -0.157 0.000 3/36000 410.0 1.542 1.283 1.216 -0.000 -0.153 0.000 3/36000 420.0 1.503 1.251 1.185 -0.000 -0.149 0.000 3/36000 430.0 1.466 1.220 1.156 -0.000 -0.145 0.000 3/36000 440.0 1.431 1.191 1.128 -0.000 -0.141 0.000 3/36000 450.0 1.398 1.163 1.102 -0.000 -0.138 0.000 3/36000 460.0 1.366 1.136 1.077 -0.000 -0.135 0.000 3/36000 470.0 1.335 1.111 1.053 -0.000 -0.132 0.000 3/36000 480.0 1.306 1.087 1.030 -0.000 -0.129 0.000 3/36000 490.0 1.278 1.064 1.008 -0.000 -0.126 0.000 3/36000 500.0 1.252 1.041 0.987 -0.000 -0.123 0.000 3/36000 510.0 1.226 1.020 0.966 -0.000 -0.120 0.000 3/36000 520.0 1.202 1.000 0.947 -0.000 -0.118 0.000 3/36000 530.0 1.178 0.980 0.928 -0.000 -0.116 0.000 3/36000 540.0 1.156 0.961 0.911 -0.000 -0.113 0.000 3/36000 550.0 1.134 0.943 0.893 -0.000 -0.111 0.000 3/36000 560.0 1.113 0.926 0.877 -0.000 -0.109 0.000 3/36000 570.0 1.093 0.909 0.861 -0.000 -0.107 0.000 3/36000 580.0 1.073 0.893 0.846 -0.000 -0.105 0.000 3/36000 590.0 1.054 0.877 0.831 -0.000 -0.103 0.000 3/36000 600.0 1.036 0.862 0.817 -0.000 -0.101 0.000 3/36000 610.0 1.019 0.848 0.803 -0.000 -0.100 0.000 3/36000 620.0 1.002 0.834 0.790 -0.000 -0.098 0.000 3/36000 630.0 0.986 0.820 0.777 -0.000 -0.096 0.000 3/36000 640.0 0.970 0.807 0.764 -0.000 -0.095 0.000 3/36000 650.0 0.955 0.794 0.752 -0.000 -0.093 0.000 3/36000 660.0 0.940 0.782 0.740 -0.000 -0.092 0.000 3/36000 670.0 0.925 0.770 0.729 -0.000 -0.090 0.000 3/36000 680.0 0.912 0.758 0.718 -0.000 -0.089 0.000 3/36000 690.0 0.898 0.747 0.708 -0.000 -0.088 0.000 3/36000 700.0 0.885 0.736 0.697 -0.000 -0.086 0.000 3/36000 710.0 0.872 0.726 0.687 -0.000 -0.085 0.000 3/36000 720.0 0.860 0.715 0.677 -0.000 -0.084 0.000 3/36000 730.0 0.848 0.705 0.668 -0.000 -0.083 0.000 3/36000 740.0 0.836 0.696 0.659 -0.000 -0.081 0.000 3/36000 750.0 0.825 0.686 0.650 -0.000 -0.080 0.000 3/36000 760.0 0.814 0.677 0.641 -0.000 -0.079 0.000 3/36000 770.0 0.803 0.668 0.633 -0.000 -0.078 0.000 3/36000 780.0 0.793 0.659 0.624 -0.000 -0.077 0.000 3/36000 790.0 0.782 0.651 0.616 -0.000 -0.076 0.000 3/36000 800.0 0.773 0.643 0.608 -0.000 -0.075 0.000 3/36000 810.0 0.763 0.635 0.601 -0.000 -0.074 0.000 3/36000 820.0 0.753 0.627 0.593 -0.000 -0.073 0.000 3/36000 830.0 0.744 0.619 0.586 -0.000 -0.072 0.000 3/36000 840.0 0.735 0.612 0.579 -0.000 -0.071 0.000 3/36000 850.0 0.726 0.604 0.572 -0.000 -0.071 0.000 3/36000 860.0 0.718 0.597 0.565 -0.000 -0.070 0.000 3/36000 870.0 0.710 0.590 0.559 -0.000 -0.069 0.000 3/36000 880.0 0.701 0.583 0.552 -0.000 -0.068 0.000 3/36000 890.0 0.693 0.577 0.546 -0.000 -0.067 0.000 3/36000 900.0 0.686 0.570 0.540 -0.000 -0.066 0.000 3/36000 910.0 0.678 0.564 0.534 -0.000 -0.066 0.000 3/36000 920.0 0.671 0.558 0.528 -0.000 -0.065 0.000 3/36000 930.0 0.663 0.552 0.522 -0.000 -0.064 0.000 3/36000 940.0 0.656 0.546 0.517 -0.000 -0.064 0.000 3/36000 950.0 0.649 0.540 0.511 -0.000 -0.063 0.000 3/36000 960.0 0.642 0.534 0.506 -0.000 -0.062 0.000 3/36000 970.0 0.636 0.529 0.501 -0.000 -0.062 0.000 3/36000 980.0 0.629 0.523 0.495 -0.000 -0.061 0.000 3/36000 990.0 0.623 0.518 0.490 -0.000 -0.060 0.000 3/36000 1000.0 0.616 0.513 0.485 -0.000 -0.060 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:09:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|