----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:32:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.910580000045061 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): *1 C 0.97484175730206 0.20897778764554 0.24674619745611 12.011 2 C 0.02515824269794 0.70897778764554 0.25325380254389 12.011 3 C 0.02515824269794 0.79102221235446 0.75325380254389 12.011 4 C 0.97484175730206 0.29102221235446 0.74674619745611 12.011 *5 N 0.29844776299858 0.44670357095690 0.36442452408050 14.007 6 N 0.70155223700142 0.94670357095690 0.13557547591950 14.007 7 N 0.70155223700142 0.55329642904310 0.63557547591950 14.007 8 N 0.29844776299858 0.05329642904310 0.86442452408050 14.007 *9 N 0.47884932737959 0.23800040073260 0.25300162939708 14.007 10 N 0.52115067262041 0.73800040073260 0.24699837060292 14.007 11 N 0.52115067262041 0.76199959926740 0.74699837060292 14.007 12 N 0.47884932737959 0.26199959926740 0.75300162939708 14.007 *13 N 0.49433340490000 0.20930969965779 0.49873297762353 14.007 14 N 0.50566659510000 0.70930969965779 0.00126702237647 14.007 15 N 0.50566659510000 0.79069030034221 0.50126702237647 14.007 16 N 0.49433340490000 0.29069030034221 0.99873297762353 14.007 *17 N 0.75528848619580 0.46540405040558 0.27695642031124 14.007 18 N 0.24471151380420 0.96540405040558 0.22304357968876 14.007 19 N 0.24471151380420 0.53459594959442 0.72304357968876 14.007 20 N 0.75528848619580 0.03459594959442 0.77695642031124 14.007 *21 N 0.94175263224763 0.45622200162637 0.10081831283854 14.007 22 N 0.05824736775237 0.95622200162637 0.39918168716146 14.007 23 N 0.05824736775237 0.54377799837363 0.89918168716146 14.007 24 N 0.94175263224763 0.04377799837363 0.60081831283854 14.007 *25 N 0.96159743014891 0.21300641774188 0.99053350125615 14.007 26 N 0.03840256985109 0.71300641774188 0.50946649874385 14.007 27 N 0.03840256985109 0.78699358225812 0.00946649874385 14.007 28 N 0.96159743014891 0.28699358225812 0.49053350125615 14.007 *29 Si 0.32132637638271 0.27264471717420 0.34086002509936 28.085 30 Si 0.67867362361729 0.77264471717420 0.15913997490064 28.085 31 Si 0.67867362361729 0.72735528282580 0.65913997490064 28.085 32 Si 0.32132637638271 0.22735528282580 0.84086002509936 28.085 *33 Si 0.79800901173845 0.29501121201129 0.32333902414586 28.085 34 Si 0.20199098826155 0.79501121201129 0.17666097585414 28.085 35 Si 0.20199098826155 0.70498878798871 0.67666097585414 28.085 36 Si 0.79800901173845 0.20498878798871 0.82333902414586 28.085 *37 Si 0.83584612954550 0.28793663618268 0.07943059364249 28.085 38 Si 0.16415387045450 0.78793663618268 0.42056940635751 28.085 39 Si 0.16415387045450 0.71206336381732 0.92056940635751 28.085 40 Si 0.83584612954550 0.21206336381732 0.57943059364249 28.085 *41 Si 0.99569478293934 0.02112962112913 0.24992696294369 28.085 42 Si 0.00430521706066 0.52112962112913 0.25007303705631 28.085 43 Si 0.00430521706066 0.97887037887087 0.75007303705631 28.085 44 Si 0.99569478293934 0.47887037887087 0.74992696294369 28.085 *45 Y 0.34469618862774 0.08749436722956 0.08164579851051 88.906 46 Y 0.65530381137226 0.58749436722956 0.41835420148949 88.906 47 Y 0.65530381137226 0.91250563277044 0.91835420148949 88.906 48 Y 0.34469618862774 0.41250563277044 0.58164579851051 88.906 *49 Y 0.67052051492856 0.93372390794263 0.40536391190854 88.906 50 Y 0.32947948507144 0.43372390794263 0.09463608809146 88.906 51 Y 0.32947948507144 0.06627609205737 0.59463608809146 88.906 52 Y 0.67052051492856 0.56627609205737 0.90536391190854 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.910580000045061 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): *1 C 0.97484175730206 0.20897778764554 0.24674619745611 12.011 > 1 2 C 0.02515824269794 0.70897778764554 0.25325380254389 12.011 > 2 3 C 0.02515824269794 0.79102221235446 0.75325380254389 12.011 > 3 4 C 0.97484175730206 0.29102221235446 0.74674619745611 12.011 > 4 *5 N 0.29844776299858 0.44670357095690 0.36442452408050 14.007 > 5 6 N 0.70155223700142 0.94670357095690 0.13557547591950 14.007 > 6 7 N 0.70155223700142 0.55329642904310 0.63557547591950 14.007 > 7 8 N 0.29844776299858 0.05329642904310 0.86442452408050 14.007 > 8 *9 N 0.47884932737959 0.23800040073260 0.25300162939708 14.007 > 9 10 N 0.52115067262041 0.73800040073260 0.24699837060292 14.007 > 10 11 N 0.52115067262041 0.76199959926740 0.74699837060292 14.007 > 11 12 N 0.47884932737959 0.26199959926740 0.75300162939708 14.007 > 12 *13 N 0.49433340490000 0.20930969965779 0.49873297762353 14.007 > 13 14 N 0.50566659510000 0.70930969965779 0.00126702237647 14.007 > 14 15 N 0.50566659510000 0.79069030034221 0.50126702237647 14.007 > 15 16 N 0.49433340490000 0.29069030034221 0.99873297762353 14.007 > 16 *17 N 0.75528848619580 0.46540405040558 0.27695642031124 14.007 > 17 18 N 0.24471151380420 0.96540405040558 0.22304357968876 14.007 > 18 19 N 0.24471151380420 0.53459594959442 0.72304357968876 14.007 > 19 20 N 0.75528848619580 0.03459594959442 0.77695642031124 14.007 > 20 *21 N 0.94175263224763 0.45622200162637 0.10081831283854 14.007 > 21 22 N 0.05824736775237 0.95622200162637 0.39918168716146 14.007 > 22 23 N 0.05824736775237 0.54377799837363 0.89918168716146 14.007 > 23 24 N 0.94175263224763 0.04377799837363 0.60081831283854 14.007 > 24 *25 N 0.96159743014891 0.21300641774188 0.99053350125615 14.007 > 25 26 N 0.03840256985109 0.71300641774188 0.50946649874385 14.007 > 26 27 N 0.03840256985109 0.78699358225812 0.00946649874385 14.007 > 27 28 N 0.96159743014891 0.28699358225812 0.49053350125615 14.007 > 28 *29 Si 0.32132637638271 0.27264471717420 0.34086002509936 28.085 > 29 30 Si 0.67867362361729 0.77264471717420 0.15913997490064 28.085 > 30 31 Si 0.67867362361729 0.72735528282580 0.65913997490064 28.085 > 31 32 Si 0.32132637638271 0.22735528282580 0.84086002509936 28.085 > 32 *33 Si 0.79800901173845 0.29501121201129 0.32333902414586 28.085 > 33 34 Si 0.20199098826155 0.79501121201129 0.17666097585414 28.085 > 34 35 Si 0.20199098826155 0.70498878798871 0.67666097585414 28.085 > 35 36 Si 0.79800901173845 0.20498878798871 0.82333902414586 28.085 > 36 *37 Si 0.83584612954550 0.28793663618268 0.07943059364249 28.085 > 37 38 Si 0.16415387045450 0.78793663618268 0.42056940635751 28.085 > 38 39 Si 0.16415387045450 0.71206336381732 0.92056940635751 28.085 > 39 40 Si 0.83584612954550 0.21206336381732 0.57943059364249 28.085 > 40 *41 Si 0.99569478293934 0.02112962112913 0.24992696294369 28.085 > 41 42 Si 0.00430521706066 0.52112962112913 0.25007303705631 28.085 > 42 43 Si 0.00430521706066 0.97887037887087 0.75007303705631 28.085 > 43 44 Si 0.99569478293934 0.47887037887087 0.74992696294369 28.085 > 44 *45 Y 0.34469618862774 0.08749436722956 0.08164579851051 88.906 > 45 46 Y 0.65530381137226 0.58749436722956 0.41835420148949 88.906 > 46 47 Y 0.65530381137226 0.91250563277044 0.91835420148949 88.906 > 47 48 Y 0.34469618862774 0.41250563277044 0.58164579851051 88.906 > 48 *49 Y 0.67052051492856 0.93372390794263 0.40536391190854 88.906 > 49 50 Y 0.32947948507144 0.43372390794263 0.09463608809146 88.906 > 50 51 Y 0.32947948507144 0.06627609205737 0.59463608809146 88.906 > 51 52 Y 0.67052051492856 0.56627609205737 0.90536391190854 88.906 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.821160000090122 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): *1 C 0.48742087865103 0.20897778764554 0.24674619745611 12.011 > 1 2 C 0.98742087865103 0.20897778764554 0.24674619745611 12.011 > 1 3 C 0.01257912134897 0.70897778764554 0.25325380254389 12.011 > 2 4 C 0.51257912134897 0.70897778764554 0.25325380254389 12.011 > 2 5 C 0.01257912134897 0.79102221235446 0.75325380254389 12.011 > 3 6 C 0.51257912134897 0.79102221235446 0.75325380254389 12.011 > 3 7 C 0.48742087865103 0.29102221235446 0.74674619745611 12.011 > 4 8 C 0.98742087865103 0.29102221235446 0.74674619745611 12.011 > 4 *9 N 0.14922388149929 0.44670357095690 0.36442452408050 14.007 > 5 10 N 0.64922388149929 0.44670357095690 0.36442452408050 14.007 > 5 11 N 0.35077611850071 0.94670357095690 0.13557547591950 14.007 > 6 12 N 0.85077611850071 0.94670357095690 0.13557547591950 14.007 > 6 13 N 0.35077611850071 0.55329642904310 0.63557547591950 14.007 > 7 14 N 0.85077611850071 0.55329642904310 0.63557547591950 14.007 > 7 15 N 0.14922388149929 0.05329642904310 0.86442452408050 14.007 > 8 16 N 0.64922388149929 0.05329642904310 0.86442452408050 14.007 > 8 *17 N 0.23942466368979 0.23800040073260 0.25300162939708 14.007 > 9 18 N 0.73942466368979 0.23800040073260 0.25300162939708 14.007 > 9 19 N 0.26057533631021 0.73800040073260 0.24699837060292 14.007 > 10 20 N 0.76057533631021 0.73800040073260 0.24699837060292 14.007 > 10 21 N 0.26057533631021 0.76199959926740 0.74699837060292 14.007 > 11 22 N 0.76057533631021 0.76199959926740 0.74699837060292 14.007 > 11 23 N 0.23942466368979 0.26199959926740 0.75300162939708 14.007 > 12 24 N 0.73942466368979 0.26199959926740 0.75300162939708 14.007 > 12 *25 N 0.24716670245000 0.20930969965779 0.49873297762353 14.007 > 13 26 N 0.74716670245000 0.20930969965779 0.49873297762353 14.007 > 13 27 N 0.25283329755000 0.70930969965779 0.00126702237647 14.007 > 14 28 N 0.75283329755000 0.70930969965779 0.00126702237647 14.007 > 14 29 N 0.25283329755000 0.79069030034221 0.50126702237647 14.007 > 15 30 N 0.75283329755000 0.79069030034221 0.50126702237647 14.007 > 15 31 N 0.24716670245000 0.29069030034221 0.99873297762353 14.007 > 16 32 N 0.74716670245000 0.29069030034221 0.99873297762353 14.007 > 16 *33 N 0.37764424309790 0.46540405040558 0.27695642031124 14.007 > 17 34 N 0.87764424309790 0.46540405040558 0.27695642031124 14.007 > 17 35 N 0.12235575690210 0.96540405040558 0.22304357968876 14.007 > 18 36 N 0.62235575690210 0.96540405040558 0.22304357968876 14.007 > 18 37 N 0.12235575690210 0.53459594959442 0.72304357968876 14.007 > 19 38 N 0.62235575690210 0.53459594959442 0.72304357968876 14.007 > 19 39 N 0.37764424309790 0.03459594959442 0.77695642031124 14.007 > 20 40 N 0.87764424309790 0.03459594959442 0.77695642031124 14.007 > 20 *41 N 0.47087631612381 0.45622200162637 0.10081831283854 14.007 > 21 42 N 0.97087631612381 0.45622200162637 0.10081831283854 14.007 > 21 43 N 0.02912368387619 0.95622200162637 0.39918168716146 14.007 > 22 44 N 0.52912368387619 0.95622200162637 0.39918168716146 14.007 > 22 45 N 0.02912368387619 0.54377799837363 0.89918168716146 14.007 > 23 46 N 0.52912368387619 0.54377799837363 0.89918168716146 14.007 > 23 47 N 0.47087631612381 0.04377799837363 0.60081831283854 14.007 > 24 48 N 0.97087631612381 0.04377799837363 0.60081831283854 14.007 > 24 *49 N 0.48079871507445 0.21300641774188 0.99053350125615 14.007 > 25 50 N 0.98079871507445 0.21300641774188 0.99053350125615 14.007 > 25 51 N 0.01920128492555 0.71300641774188 0.50946649874385 14.007 > 26 52 N 0.51920128492555 0.71300641774188 0.50946649874385 14.007 > 26 53 N 0.01920128492555 0.78699358225812 0.00946649874385 14.007 > 27 54 N 0.51920128492555 0.78699358225812 0.00946649874385 14.007 > 27 55 N 0.48079871507445 0.28699358225812 0.49053350125615 14.007 > 28 56 N 0.98079871507445 0.28699358225812 0.49053350125615 14.007 > 28 *57 Si 0.16066318819136 0.27264471717420 0.34086002509936 28.085 > 29 58 Si 0.66066318819136 0.27264471717420 0.34086002509936 28.085 > 29 59 Si 0.33933681180864 0.77264471717420 0.15913997490064 28.085 > 30 60 Si 0.83933681180864 0.77264471717420 0.15913997490064 28.085 > 30 61 Si 0.33933681180864 0.72735528282580 0.65913997490064 28.085 > 31 62 Si 0.83933681180864 0.72735528282580 0.65913997490064 28.085 > 31 63 Si 0.16066318819136 0.22735528282580 0.84086002509936 28.085 > 32 64 Si 0.66066318819136 0.22735528282580 0.84086002509936 28.085 > 32 *65 Si 0.39900450586922 0.29501121201129 0.32333902414586 28.085 > 33 66 Si 0.89900450586922 0.29501121201129 0.32333902414586 28.085 > 33 67 Si 0.10099549413077 0.79501121201129 0.17666097585414 28.085 > 34 68 Si 0.60099549413078 0.79501121201129 0.17666097585414 28.085 > 34 69 Si 0.10099549413077 0.70498878798871 0.67666097585414 28.085 > 35 70 Si 0.60099549413078 0.70498878798871 0.67666097585414 28.085 > 35 71 Si 0.39900450586922 0.20498878798871 0.82333902414586 28.085 > 36 72 Si 0.89900450586922 0.20498878798871 0.82333902414586 28.085 > 36 *73 Si 0.41792306477275 0.28793663618268 0.07943059364249 28.085 > 37 74 Si 0.91792306477275 0.28793663618268 0.07943059364249 28.085 > 37 75 Si 0.08207693522725 0.78793663618268 0.42056940635751 28.085 > 38 76 Si 0.58207693522725 0.78793663618268 0.42056940635751 28.085 > 38 77 Si 0.08207693522725 0.71206336381732 0.92056940635751 28.085 > 39 78 Si 0.58207693522725 0.71206336381732 0.92056940635751 28.085 > 39 79 Si 0.41792306477275 0.21206336381732 0.57943059364249 28.085 > 40 80 Si 0.91792306477275 0.21206336381732 0.57943059364249 28.085 > 40 *81 Si 0.49784739146967 0.02112962112913 0.24992696294369 28.085 > 41 82 Si 0.99784739146967 0.02112962112913 0.24992696294369 28.085 > 41 83 Si 0.00215260853033 0.52112962112913 0.25007303705631 28.085 > 42 84 Si 0.50215260853033 0.52112962112913 0.25007303705631 28.085 > 42 85 Si 0.00215260853033 0.97887037887087 0.75007303705631 28.085 > 43 86 Si 0.50215260853033 0.97887037887087 0.75007303705631 28.085 > 43 87 Si 0.49784739146967 0.47887037887087 0.74992696294369 28.085 > 44 88 Si 0.99784739146967 0.47887037887087 0.74992696294369 28.085 > 44 *89 Y 0.17234809431387 0.08749436722956 0.08164579851051 88.906 > 45 90 Y 0.67234809431387 0.08749436722956 0.08164579851051 88.906 > 45 91 Y 0.32765190568613 0.58749436722956 0.41835420148949 88.906 > 46 92 Y 0.82765190568613 0.58749436722956 0.41835420148949 88.906 > 46 93 Y 0.32765190568613 0.91250563277044 0.91835420148949 88.906 > 47 94 Y 0.82765190568613 0.91250563277044 0.91835420148949 88.906 > 47 95 Y 0.17234809431387 0.41250563277044 0.58164579851051 88.906 > 48 96 Y 0.67234809431387 0.41250563277044 0.58164579851051 88.906 > 48 *97 Y 0.33526025746428 0.93372390794263 0.40536391190854 88.906 > 49 98 Y 0.83526025746428 0.93372390794263 0.40536391190854 88.906 > 49 99 Y 0.16473974253572 0.43372390794263 0.09463608809146 88.906 > 50 100 Y 0.66473974253572 0.43372390794263 0.09463608809146 88.906 > 50 101 Y 0.16473974253572 0.06627609205737 0.59463608809146 88.906 > 51 102 Y 0.66473974253572 0.06627609205737 0.59463608809146 88.906 > 51 103 Y 0.33526025746428 0.56627609205737 0.90536391190854 88.906 > 52 104 Y 0.83526025746428 0.56627609205737 0.90536391190854 88.906 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8226583 0.0000000 -0.0135529 0.0000000 5.6100141 0.0000000 -0.0135534 0.0000000 5.7637704 -------------------------- Born effective charges -------------------------- 1 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 2 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 3 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 4 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 5 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 6 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 7 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 8 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 9 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 10 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 11 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 12 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 13 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 14 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 15 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 16 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 17 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 18 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 19 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 20 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 21 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 22 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 23 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 24 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 25 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 26 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 27 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 28 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 29 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 30 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 31 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 32 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 33 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 34 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 35 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 36 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 37 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 38 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 39 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 40 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 41 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 42 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 43 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 44 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 45 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 46 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 47 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 48 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 49 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 50 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 51 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 52 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 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: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1600 - Time: 1.707 Solver_block: 200 / 1600 - Time: 1.590 Solver_block: 300 / 1600 - Time: 1.593 Solver_block: 400 / 1600 - Time: 1.590 Solver_block: 500 / 1600 - Time: 1.591 Solver_block: 600 / 1600 - Time: 1.595 Solver_block: 700 / 1600 - Time: 1.592 Solver_block: 800 / 1600 - Time: 1.592 Solver_block: 900 / 1600 - Time: 1.594 Solver_block: 1000 / 1600 - Time: 1.590 Solver_block: 1100 / 1600 - Time: 1.591 Solver_block: 1200 / 1600 - Time: 1.590 Solver_block: 1300 / 1600 - Time: 1.593 Solver_block: 1400 / 1600 - Time: 1.592 Solver_block: 1500 / 1600 - Time: 1.593 Solver_block: 1600 / 1600 - Time: 1.591 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.289 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 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: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:34:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:34:27]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.910580000045061 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): 1 C 0.97484175730206 0.20897778764554 0.24674619745611 12.011 2 C 0.02515824269794 0.70897778764554 0.25325380254389 12.011 3 C 0.02515824269794 0.79102221235446 0.75325380254389 12.011 4 C 0.97484175730206 0.29102221235446 0.74674619745611 12.011 5 N 0.29844776299858 0.44670357095690 0.36442452408050 14.007 6 N 0.70155223700142 0.94670357095690 0.13557547591950 14.007 7 N 0.70155223700142 0.55329642904310 0.63557547591950 14.007 8 N 0.29844776299858 0.05329642904310 0.86442452408050 14.007 9 N 0.47884932737959 0.23800040073260 0.25300162939708 14.007 10 N 0.52115067262041 0.73800040073260 0.24699837060292 14.007 11 N 0.52115067262041 0.76199959926740 0.74699837060292 14.007 12 N 0.47884932737959 0.26199959926740 0.75300162939708 14.007 13 N 0.49433340490000 0.20930969965779 0.49873297762353 14.007 14 N 0.50566659510000 0.70930969965779 0.00126702237647 14.007 15 N 0.50566659510000 0.79069030034221 0.50126702237647 14.007 16 N 0.49433340490000 0.29069030034221 0.99873297762353 14.007 17 N 0.75528848619580 0.46540405040558 0.27695642031124 14.007 18 N 0.24471151380420 0.96540405040558 0.22304357968876 14.007 19 N 0.24471151380420 0.53459594959442 0.72304357968876 14.007 20 N 0.75528848619580 0.03459594959442 0.77695642031124 14.007 21 N 0.94175263224763 0.45622200162637 0.10081831283854 14.007 22 N 0.05824736775237 0.95622200162637 0.39918168716146 14.007 23 N 0.05824736775237 0.54377799837363 0.89918168716146 14.007 24 N 0.94175263224763 0.04377799837363 0.60081831283854 14.007 25 N 0.96159743014891 0.21300641774188 0.99053350125615 14.007 26 N 0.03840256985109 0.71300641774188 0.50946649874385 14.007 27 N 0.03840256985109 0.78699358225812 0.00946649874385 14.007 28 N 0.96159743014891 0.28699358225812 0.49053350125615 14.007 29 Si 0.32132637638271 0.27264471717420 0.34086002509936 28.085 30 Si 0.67867362361729 0.77264471717420 0.15913997490064 28.085 31 Si 0.67867362361729 0.72735528282580 0.65913997490064 28.085 32 Si 0.32132637638271 0.22735528282580 0.84086002509936 28.085 33 Si 0.79800901173845 0.29501121201129 0.32333902414586 28.085 34 Si 0.20199098826155 0.79501121201129 0.17666097585414 28.085 35 Si 0.20199098826155 0.70498878798871 0.67666097585414 28.085 36 Si 0.79800901173845 0.20498878798871 0.82333902414586 28.085 37 Si 0.83584612954550 0.28793663618268 0.07943059364249 28.085 38 Si 0.16415387045450 0.78793663618268 0.42056940635751 28.085 39 Si 0.16415387045450 0.71206336381732 0.92056940635751 28.085 40 Si 0.83584612954550 0.21206336381732 0.57943059364249 28.085 41 Si 0.99569478293934 0.02112962112913 0.24992696294369 28.085 42 Si 0.00430521706066 0.52112962112913 0.25007303705631 28.085 43 Si 0.00430521706066 0.97887037887087 0.75007303705631 28.085 44 Si 0.99569478293934 0.47887037887087 0.74992696294369 28.085 45 Y 0.34469618862774 0.08749436722956 0.08164579851051 88.906 46 Y 0.65530381137226 0.58749436722956 0.41835420148949 88.906 47 Y 0.65530381137226 0.91250563277044 0.91835420148949 88.906 48 Y 0.34469618862774 0.41250563277044 0.58164579851051 88.906 49 Y 0.67052051492856 0.93372390794263 0.40536391190854 88.906 50 Y 0.32947948507144 0.43372390794263 0.09463608809146 88.906 51 Y 0.32947948507144 0.06627609205737 0.59463608809146 88.906 52 Y 0.67052051492856 0.56627609205737 0.90536391190854 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821160000090122 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): 1 C 0.48742087865103 0.20897778764554 0.24674619745611 12.011 > 1 2 C 0.98742087865103 0.20897778764554 0.24674619745611 12.011 > 1 3 C 0.01257912134897 0.70897778764554 0.25325380254389 12.011 > 3 4 C 0.51257912134897 0.70897778764554 0.25325380254389 12.011 > 3 5 C 0.01257912134897 0.79102221235446 0.75325380254389 12.011 > 5 6 C 0.51257912134897 0.79102221235446 0.75325380254389 12.011 > 5 7 C 0.48742087865103 0.29102221235446 0.74674619745611 12.011 > 7 8 C 0.98742087865103 0.29102221235446 0.74674619745611 12.011 > 7 9 N 0.14922388149929 0.44670357095690 0.36442452408050 14.007 > 9 10 N 0.64922388149929 0.44670357095690 0.36442452408050 14.007 > 9 11 N 0.35077611850071 0.94670357095690 0.13557547591950 14.007 > 11 12 N 0.85077611850071 0.94670357095690 0.13557547591950 14.007 > 11 13 N 0.35077611850071 0.55329642904310 0.63557547591950 14.007 > 13 14 N 0.85077611850071 0.55329642904310 0.63557547591950 14.007 > 13 15 N 0.14922388149929 0.05329642904310 0.86442452408050 14.007 > 15 16 N 0.64922388149929 0.05329642904310 0.86442452408050 14.007 > 15 17 N 0.23942466368979 0.23800040073260 0.25300162939708 14.007 > 17 18 N 0.73942466368979 0.23800040073260 0.25300162939708 14.007 > 17 19 N 0.26057533631021 0.73800040073260 0.24699837060292 14.007 > 19 20 N 0.76057533631021 0.73800040073260 0.24699837060292 14.007 > 19 21 N 0.26057533631021 0.76199959926740 0.74699837060292 14.007 > 21 22 N 0.76057533631021 0.76199959926740 0.74699837060292 14.007 > 21 23 N 0.23942466368979 0.26199959926740 0.75300162939708 14.007 > 23 24 N 0.73942466368979 0.26199959926740 0.75300162939708 14.007 > 23 25 N 0.24716670245000 0.20930969965779 0.49873297762353 14.007 > 25 26 N 0.74716670245000 0.20930969965779 0.49873297762353 14.007 > 25 27 N 0.25283329755000 0.70930969965779 0.00126702237647 14.007 > 27 28 N 0.75283329755000 0.70930969965779 0.00126702237647 14.007 > 27 29 N 0.25283329755000 0.79069030034221 0.50126702237647 14.007 > 29 30 N 0.75283329755000 0.79069030034221 0.50126702237647 14.007 > 29 31 N 0.24716670245000 0.29069030034221 0.99873297762353 14.007 > 31 32 N 0.74716670245000 0.29069030034221 0.99873297762353 14.007 > 31 33 N 0.37764424309790 0.46540405040558 0.27695642031124 14.007 > 33 34 N 0.87764424309790 0.46540405040558 0.27695642031124 14.007 > 33 35 N 0.12235575690210 0.96540405040558 0.22304357968876 14.007 > 35 36 N 0.62235575690210 0.96540405040558 0.22304357968876 14.007 > 35 37 N 0.12235575690210 0.53459594959442 0.72304357968876 14.007 > 37 38 N 0.62235575690210 0.53459594959442 0.72304357968876 14.007 > 37 39 N 0.37764424309790 0.03459594959442 0.77695642031124 14.007 > 39 40 N 0.87764424309790 0.03459594959442 0.77695642031124 14.007 > 39 41 N 0.47087631612381 0.45622200162637 0.10081831283854 14.007 > 41 42 N 0.97087631612381 0.45622200162637 0.10081831283854 14.007 > 41 43 N 0.02912368387619 0.95622200162637 0.39918168716146 14.007 > 43 44 N 0.52912368387619 0.95622200162637 0.39918168716146 14.007 > 43 45 N 0.02912368387619 0.54377799837363 0.89918168716146 14.007 > 45 46 N 0.52912368387619 0.54377799837363 0.89918168716146 14.007 > 45 47 N 0.47087631612381 0.04377799837363 0.60081831283854 14.007 > 47 48 N 0.97087631612381 0.04377799837363 0.60081831283854 14.007 > 47 49 N 0.48079871507445 0.21300641774188 0.99053350125615 14.007 > 49 50 N 0.98079871507445 0.21300641774188 0.99053350125615 14.007 > 49 51 N 0.01920128492555 0.71300641774188 0.50946649874385 14.007 > 51 52 N 0.51920128492555 0.71300641774188 0.50946649874385 14.007 > 51 53 N 0.01920128492555 0.78699358225812 0.00946649874385 14.007 > 53 54 N 0.51920128492555 0.78699358225812 0.00946649874385 14.007 > 53 55 N 0.48079871507445 0.28699358225812 0.49053350125615 14.007 > 55 56 N 0.98079871507445 0.28699358225812 0.49053350125615 14.007 > 55 57 Si 0.16066318819136 0.27264471717420 0.34086002509936 28.085 > 57 58 Si 0.66066318819136 0.27264471717420 0.34086002509936 28.085 > 57 59 Si 0.33933681180864 0.77264471717420 0.15913997490064 28.085 > 59 60 Si 0.83933681180864 0.77264471717420 0.15913997490064 28.085 > 59 61 Si 0.33933681180864 0.72735528282580 0.65913997490064 28.085 > 61 62 Si 0.83933681180864 0.72735528282580 0.65913997490064 28.085 > 61 63 Si 0.16066318819136 0.22735528282580 0.84086002509936 28.085 > 63 64 Si 0.66066318819136 0.22735528282580 0.84086002509936 28.085 > 63 65 Si 0.39900450586922 0.29501121201129 0.32333902414586 28.085 > 65 66 Si 0.89900450586922 0.29501121201129 0.32333902414586 28.085 > 65 67 Si 0.10099549413077 0.79501121201129 0.17666097585414 28.085 > 67 68 Si 0.60099549413078 0.79501121201129 0.17666097585414 28.085 > 67 69 Si 0.10099549413077 0.70498878798871 0.67666097585414 28.085 > 69 70 Si 0.60099549413078 0.70498878798871 0.67666097585414 28.085 > 69 71 Si 0.39900450586922 0.20498878798871 0.82333902414586 28.085 > 71 72 Si 0.89900450586922 0.20498878798871 0.82333902414586 28.085 > 71 73 Si 0.41792306477275 0.28793663618268 0.07943059364249 28.085 > 73 74 Si 0.91792306477275 0.28793663618268 0.07943059364249 28.085 > 73 75 Si 0.08207693522725 0.78793663618268 0.42056940635751 28.085 > 75 76 Si 0.58207693522725 0.78793663618268 0.42056940635751 28.085 > 75 77 Si 0.08207693522725 0.71206336381732 0.92056940635751 28.085 > 77 78 Si 0.58207693522725 0.71206336381732 0.92056940635751 28.085 > 77 79 Si 0.41792306477275 0.21206336381732 0.57943059364249 28.085 > 79 80 Si 0.91792306477275 0.21206336381732 0.57943059364249 28.085 > 79 81 Si 0.49784739146967 0.02112962112913 0.24992696294369 28.085 > 81 82 Si 0.99784739146967 0.02112962112913 0.24992696294369 28.085 > 81 83 Si 0.00215260853033 0.52112962112913 0.25007303705631 28.085 > 83 84 Si 0.50215260853033 0.52112962112913 0.25007303705631 28.085 > 83 85 Si 0.00215260853033 0.97887037887087 0.75007303705631 28.085 > 85 86 Si 0.50215260853033 0.97887037887087 0.75007303705631 28.085 > 85 87 Si 0.49784739146967 0.47887037887087 0.74992696294369 28.085 > 87 88 Si 0.99784739146967 0.47887037887087 0.74992696294369 28.085 > 87 89 Y 0.17234809431387 0.08749436722956 0.08164579851051 88.906 > 89 90 Y 0.67234809431387 0.08749436722956 0.08164579851051 88.906 > 89 91 Y 0.32765190568613 0.58749436722956 0.41835420148949 88.906 > 91 92 Y 0.82765190568613 0.58749436722956 0.41835420148949 88.906 > 91 93 Y 0.32765190568613 0.91250563277044 0.91835420148949 88.906 > 93 94 Y 0.82765190568613 0.91250563277044 0.91835420148949 88.906 > 93 95 Y 0.17234809431387 0.41250563277044 0.58164579851051 88.906 > 95 96 Y 0.67234809431387 0.41250563277044 0.58164579851051 88.906 > 95 97 Y 0.33526025746428 0.93372390794263 0.40536391190854 88.906 > 97 98 Y 0.83526025746428 0.93372390794263 0.40536391190854 88.906 > 97 99 Y 0.16473974253572 0.43372390794263 0.09463608809146 88.906 > 99 100 Y 0.66473974253572 0.43372390794263 0.09463608809146 88.906 > 99 101 Y 0.16473974253572 0.06627609205737 0.59463608809146 88.906 > 101 102 Y 0.66473974253572 0.06627609205737 0.59463608809146 88.906 > 101 103 Y 0.33526025746428 0.56627609205737 0.90536391190854 88.906 > 103 104 Y 0.83526025746428 0.56627609205737 0.90536391190854 88.906 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8226583 0.0000000 -0.0135529 0.0000000 5.6100141 0.0000000 -0.0135534 0.0000000 5.7637704 -------------------------- Born effective charges -------------------------- 1 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 2 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 3 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 4 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 5 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 6 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 7 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 8 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 9 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 10 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 11 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 12 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 13 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 14 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 15 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 16 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 17 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 18 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 19 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 20 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 21 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 22 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 23 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 24 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 25 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 26 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 27 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 28 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 29 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 30 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 31 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 32 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 33 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 34 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 35 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 36 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 37 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 38 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 39 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 40 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 41 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 42 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 43 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 44 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 45 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 46 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 47 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 48 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 49 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 50 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 51 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 52 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 9, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 41, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 57, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 2026-01-07 21:35:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:35:26]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.910580000045061 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): 1 C 0.97484175730206 0.20897778764554 0.24674619745611 12.011 2 C 0.02515824269794 0.70897778764554 0.25325380254389 12.011 3 C 0.02515824269794 0.79102221235446 0.75325380254389 12.011 4 C 0.97484175730206 0.29102221235446 0.74674619745611 12.011 5 N 0.29844776299858 0.44670357095690 0.36442452408050 14.007 6 N 0.70155223700142 0.94670357095690 0.13557547591950 14.007 7 N 0.70155223700142 0.55329642904310 0.63557547591950 14.007 8 N 0.29844776299858 0.05329642904310 0.86442452408050 14.007 9 N 0.47884932737959 0.23800040073260 0.25300162939708 14.007 10 N 0.52115067262041 0.73800040073260 0.24699837060292 14.007 11 N 0.52115067262041 0.76199959926740 0.74699837060292 14.007 12 N 0.47884932737959 0.26199959926740 0.75300162939708 14.007 13 N 0.49433340490000 0.20930969965779 0.49873297762353 14.007 14 N 0.50566659510000 0.70930969965779 0.00126702237647 14.007 15 N 0.50566659510000 0.79069030034221 0.50126702237647 14.007 16 N 0.49433340490000 0.29069030034221 0.99873297762353 14.007 17 N 0.75528848619580 0.46540405040558 0.27695642031124 14.007 18 N 0.24471151380420 0.96540405040558 0.22304357968876 14.007 19 N 0.24471151380420 0.53459594959442 0.72304357968876 14.007 20 N 0.75528848619580 0.03459594959442 0.77695642031124 14.007 21 N 0.94175263224763 0.45622200162637 0.10081831283854 14.007 22 N 0.05824736775237 0.95622200162637 0.39918168716146 14.007 23 N 0.05824736775237 0.54377799837363 0.89918168716146 14.007 24 N 0.94175263224763 0.04377799837363 0.60081831283854 14.007 25 N 0.96159743014891 0.21300641774188 0.99053350125615 14.007 26 N 0.03840256985109 0.71300641774188 0.50946649874385 14.007 27 N 0.03840256985109 0.78699358225812 0.00946649874385 14.007 28 N 0.96159743014891 0.28699358225812 0.49053350125615 14.007 29 Si 0.32132637638271 0.27264471717420 0.34086002509936 28.085 30 Si 0.67867362361729 0.77264471717420 0.15913997490064 28.085 31 Si 0.67867362361729 0.72735528282580 0.65913997490064 28.085 32 Si 0.32132637638271 0.22735528282580 0.84086002509936 28.085 33 Si 0.79800901173845 0.29501121201129 0.32333902414586 28.085 34 Si 0.20199098826155 0.79501121201129 0.17666097585414 28.085 35 Si 0.20199098826155 0.70498878798871 0.67666097585414 28.085 36 Si 0.79800901173845 0.20498878798871 0.82333902414586 28.085 37 Si 0.83584612954550 0.28793663618268 0.07943059364249 28.085 38 Si 0.16415387045450 0.78793663618268 0.42056940635751 28.085 39 Si 0.16415387045450 0.71206336381732 0.92056940635751 28.085 40 Si 0.83584612954550 0.21206336381732 0.57943059364249 28.085 41 Si 0.99569478293934 0.02112962112913 0.24992696294369 28.085 42 Si 0.00430521706066 0.52112962112913 0.25007303705631 28.085 43 Si 0.00430521706066 0.97887037887087 0.75007303705631 28.085 44 Si 0.99569478293934 0.47887037887087 0.74992696294369 28.085 45 Y 0.34469618862774 0.08749436722956 0.08164579851051 88.906 46 Y 0.65530381137226 0.58749436722956 0.41835420148949 88.906 47 Y 0.65530381137226 0.91250563277044 0.91835420148949 88.906 48 Y 0.34469618862774 0.41250563277044 0.58164579851051 88.906 49 Y 0.67052051492856 0.93372390794263 0.40536391190854 88.906 50 Y 0.32947948507144 0.43372390794263 0.09463608809146 88.906 51 Y 0.32947948507144 0.06627609205737 0.59463608809146 88.906 52 Y 0.67052051492856 0.56627609205737 0.90536391190854 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821160000090122 0.000000000000000 0.000000000000000 b 0.000000000000000 9.907373959999997 0.000000000000000 c -5.861319806022185 0.000000000000000 10.311253297724345 Atomic positions (fractional): 1 C 0.48742087865103 0.20897778764554 0.24674619745611 12.011 > 1 2 C 0.98742087865103 0.20897778764554 0.24674619745611 12.011 > 1 3 C 0.01257912134897 0.70897778764554 0.25325380254389 12.011 > 3 4 C 0.51257912134897 0.70897778764554 0.25325380254389 12.011 > 3 5 C 0.01257912134897 0.79102221235446 0.75325380254389 12.011 > 5 6 C 0.51257912134897 0.79102221235446 0.75325380254389 12.011 > 5 7 C 0.48742087865103 0.29102221235446 0.74674619745611 12.011 > 7 8 C 0.98742087865103 0.29102221235446 0.74674619745611 12.011 > 7 9 N 0.14922388149929 0.44670357095690 0.36442452408050 14.007 > 9 10 N 0.64922388149929 0.44670357095690 0.36442452408050 14.007 > 9 11 N 0.35077611850071 0.94670357095690 0.13557547591950 14.007 > 11 12 N 0.85077611850071 0.94670357095690 0.13557547591950 14.007 > 11 13 N 0.35077611850071 0.55329642904310 0.63557547591950 14.007 > 13 14 N 0.85077611850071 0.55329642904310 0.63557547591950 14.007 > 13 15 N 0.14922388149929 0.05329642904310 0.86442452408050 14.007 > 15 16 N 0.64922388149929 0.05329642904310 0.86442452408050 14.007 > 15 17 N 0.23942466368979 0.23800040073260 0.25300162939708 14.007 > 17 18 N 0.73942466368979 0.23800040073260 0.25300162939708 14.007 > 17 19 N 0.26057533631021 0.73800040073260 0.24699837060292 14.007 > 19 20 N 0.76057533631021 0.73800040073260 0.24699837060292 14.007 > 19 21 N 0.26057533631021 0.76199959926740 0.74699837060292 14.007 > 21 22 N 0.76057533631021 0.76199959926740 0.74699837060292 14.007 > 21 23 N 0.23942466368979 0.26199959926740 0.75300162939708 14.007 > 23 24 N 0.73942466368979 0.26199959926740 0.75300162939708 14.007 > 23 25 N 0.24716670245000 0.20930969965779 0.49873297762353 14.007 > 25 26 N 0.74716670245000 0.20930969965779 0.49873297762353 14.007 > 25 27 N 0.25283329755000 0.70930969965779 0.00126702237647 14.007 > 27 28 N 0.75283329755000 0.70930969965779 0.00126702237647 14.007 > 27 29 N 0.25283329755000 0.79069030034221 0.50126702237647 14.007 > 29 30 N 0.75283329755000 0.79069030034221 0.50126702237647 14.007 > 29 31 N 0.24716670245000 0.29069030034221 0.99873297762353 14.007 > 31 32 N 0.74716670245000 0.29069030034221 0.99873297762353 14.007 > 31 33 N 0.37764424309790 0.46540405040558 0.27695642031124 14.007 > 33 34 N 0.87764424309790 0.46540405040558 0.27695642031124 14.007 > 33 35 N 0.12235575690210 0.96540405040558 0.22304357968876 14.007 > 35 36 N 0.62235575690210 0.96540405040558 0.22304357968876 14.007 > 35 37 N 0.12235575690210 0.53459594959442 0.72304357968876 14.007 > 37 38 N 0.62235575690210 0.53459594959442 0.72304357968876 14.007 > 37 39 N 0.37764424309790 0.03459594959442 0.77695642031124 14.007 > 39 40 N 0.87764424309790 0.03459594959442 0.77695642031124 14.007 > 39 41 N 0.47087631612381 0.45622200162637 0.10081831283854 14.007 > 41 42 N 0.97087631612381 0.45622200162637 0.10081831283854 14.007 > 41 43 N 0.02912368387619 0.95622200162637 0.39918168716146 14.007 > 43 44 N 0.52912368387619 0.95622200162637 0.39918168716146 14.007 > 43 45 N 0.02912368387619 0.54377799837363 0.89918168716146 14.007 > 45 46 N 0.52912368387619 0.54377799837363 0.89918168716146 14.007 > 45 47 N 0.47087631612381 0.04377799837363 0.60081831283854 14.007 > 47 48 N 0.97087631612381 0.04377799837363 0.60081831283854 14.007 > 47 49 N 0.48079871507445 0.21300641774188 0.99053350125615 14.007 > 49 50 N 0.98079871507445 0.21300641774188 0.99053350125615 14.007 > 49 51 N 0.01920128492555 0.71300641774188 0.50946649874385 14.007 > 51 52 N 0.51920128492555 0.71300641774188 0.50946649874385 14.007 > 51 53 N 0.01920128492555 0.78699358225812 0.00946649874385 14.007 > 53 54 N 0.51920128492555 0.78699358225812 0.00946649874385 14.007 > 53 55 N 0.48079871507445 0.28699358225812 0.49053350125615 14.007 > 55 56 N 0.98079871507445 0.28699358225812 0.49053350125615 14.007 > 55 57 Si 0.16066318819136 0.27264471717420 0.34086002509936 28.085 > 57 58 Si 0.66066318819136 0.27264471717420 0.34086002509936 28.085 > 57 59 Si 0.33933681180864 0.77264471717420 0.15913997490064 28.085 > 59 60 Si 0.83933681180864 0.77264471717420 0.15913997490064 28.085 > 59 61 Si 0.33933681180864 0.72735528282580 0.65913997490064 28.085 > 61 62 Si 0.83933681180864 0.72735528282580 0.65913997490064 28.085 > 61 63 Si 0.16066318819136 0.22735528282580 0.84086002509936 28.085 > 63 64 Si 0.66066318819136 0.22735528282580 0.84086002509936 28.085 > 63 65 Si 0.39900450586922 0.29501121201129 0.32333902414586 28.085 > 65 66 Si 0.89900450586922 0.29501121201129 0.32333902414586 28.085 > 65 67 Si 0.10099549413077 0.79501121201129 0.17666097585414 28.085 > 67 68 Si 0.60099549413078 0.79501121201129 0.17666097585414 28.085 > 67 69 Si 0.10099549413077 0.70498878798871 0.67666097585414 28.085 > 69 70 Si 0.60099549413078 0.70498878798871 0.67666097585414 28.085 > 69 71 Si 0.39900450586922 0.20498878798871 0.82333902414586 28.085 > 71 72 Si 0.89900450586922 0.20498878798871 0.82333902414586 28.085 > 71 73 Si 0.41792306477275 0.28793663618268 0.07943059364249 28.085 > 73 74 Si 0.91792306477275 0.28793663618268 0.07943059364249 28.085 > 73 75 Si 0.08207693522725 0.78793663618268 0.42056940635751 28.085 > 75 76 Si 0.58207693522725 0.78793663618268 0.42056940635751 28.085 > 75 77 Si 0.08207693522725 0.71206336381732 0.92056940635751 28.085 > 77 78 Si 0.58207693522725 0.71206336381732 0.92056940635751 28.085 > 77 79 Si 0.41792306477275 0.21206336381732 0.57943059364249 28.085 > 79 80 Si 0.91792306477275 0.21206336381732 0.57943059364249 28.085 > 79 81 Si 0.49784739146967 0.02112962112913 0.24992696294369 28.085 > 81 82 Si 0.99784739146967 0.02112962112913 0.24992696294369 28.085 > 81 83 Si 0.00215260853033 0.52112962112913 0.25007303705631 28.085 > 83 84 Si 0.50215260853033 0.52112962112913 0.25007303705631 28.085 > 83 85 Si 0.00215260853033 0.97887037887087 0.75007303705631 28.085 > 85 86 Si 0.50215260853033 0.97887037887087 0.75007303705631 28.085 > 85 87 Si 0.49784739146967 0.47887037887087 0.74992696294369 28.085 > 87 88 Si 0.99784739146967 0.47887037887087 0.74992696294369 28.085 > 87 89 Y 0.17234809431387 0.08749436722956 0.08164579851051 88.906 > 89 90 Y 0.67234809431387 0.08749436722956 0.08164579851051 88.906 > 89 91 Y 0.32765190568613 0.58749436722956 0.41835420148949 88.906 > 91 92 Y 0.82765190568613 0.58749436722956 0.41835420148949 88.906 > 91 93 Y 0.32765190568613 0.91250563277044 0.91835420148949 88.906 > 93 94 Y 0.82765190568613 0.91250563277044 0.91835420148949 88.906 > 93 95 Y 0.17234809431387 0.41250563277044 0.58164579851051 88.906 > 95 96 Y 0.67234809431387 0.41250563277044 0.58164579851051 88.906 > 95 97 Y 0.33526025746428 0.93372390794263 0.40536391190854 88.906 > 97 98 Y 0.83526025746428 0.93372390794263 0.40536391190854 88.906 > 97 99 Y 0.16473974253572 0.43372390794263 0.09463608809146 88.906 > 99 100 Y 0.66473974253572 0.43372390794263 0.09463608809146 88.906 > 99 101 Y 0.16473974253572 0.06627609205737 0.59463608809146 88.906 > 101 102 Y 0.66473974253572 0.06627609205737 0.59463608809146 88.906 > 101 103 Y 0.33526025746428 0.56627609205737 0.90536391190854 88.906 > 103 104 Y 0.83526025746428 0.56627609205737 0.90536391190854 88.906 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8226583 0.0000000 -0.0135529 0.0000000 5.6100141 0.0000000 -0.0135534 0.0000000 5.7637704 -------------------------- Born effective charges -------------------------- 1 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 2 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 3 C -2.4851793 0.0350633 -0.0428122 0.0597627 -2.6754051 -0.0246080 -0.1047174 0.0237997 -2.4795448 4 C -2.4851793 -0.0350633 -0.0428122 -0.0597627 -2.6754051 0.0246080 -0.1047174 -0.0237997 -2.4795448 5 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 6 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 7 N -2.8247517 0.0094971 -0.1997945 -0.1952294 -3.2917461 0.0858645 -0.2769203 0.1228100 -2.7894049 8 N -2.8247517 -0.0094971 -0.1997945 0.1952294 -3.2917461 -0.0858645 -0.2769203 -0.1228100 -2.7894049 9 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 10 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 11 N -3.2999443 0.1016749 0.1823526 -0.0425381 -2.3514089 -0.2721103 0.1644360 -0.2364903 -2.9094515 12 N -3.2999443 -0.1016749 0.1823526 0.0425381 -2.3514089 0.2721103 0.1644360 0.2364903 -2.9094515 13 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 14 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 15 N -3.2058249 -0.1699514 -0.1617838 -0.0095608 -2.3345585 0.4015908 -0.1791598 0.2463501 -3.1750766 16 N -3.2058249 0.1699514 -0.1617838 0.0095608 -2.3345585 -0.4015908 -0.1791598 -0.2463501 -3.1750766 17 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 18 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 19 N -3.1422078 -0.2080131 0.0334429 0.0074331 -2.9971334 -0.0672475 0.1652238 -0.0846150 -2.4483005 20 N -3.1422078 0.2080131 0.0334429 -0.0074331 -2.9971334 0.0672475 0.1652238 0.0846150 -2.4483005 21 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 22 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 23 N -2.6648778 0.0865147 0.0955512 0.1039943 -3.0813896 -0.0109416 0.1276725 -0.0777722 -3.0454173 24 N -2.6648778 -0.0865147 0.0955512 -0.1039943 -3.0813896 0.0109416 0.1276725 0.0777722 -3.0454173 25 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 26 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 27 N -2.9521348 0.4706971 0.1064032 0.5087058 -2.2902355 -0.2945146 0.1042294 -0.2483940 -3.4302245 28 N -2.9521348 -0.4706971 0.1064032 -0.5087058 -2.2902355 0.2945146 0.1042294 0.2483940 -3.4302245 29 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 30 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 31 Si 3.2024128 -0.0569699 -0.0249532 -0.2094517 2.8738424 -0.0362203 -0.0181404 -0.0738065 3.3164563 32 Si 3.2024128 0.0569699 -0.0249532 0.2094517 2.8738424 0.0362203 -0.0181404 0.0738065 3.3164563 33 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 34 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 35 Si 3.1269767 0.1297694 0.0810169 0.0474430 2.5705321 -0.0718971 0.0458194 0.0153747 3.2011490 36 Si 3.1269767 -0.1297694 0.0810169 -0.0474430 2.5705321 0.0718971 0.0458194 -0.0153747 3.2011490 37 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 38 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 39 Si 3.3399312 -0.1238437 0.0341467 -0.1680175 2.7190268 0.2600565 -0.0651594 0.1422633 3.1617821 40 Si 3.3399312 0.1238437 0.0341467 0.1680175 2.7190268 -0.2600565 -0.0651594 -0.1422633 3.1617821 41 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 42 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 43 Si 2.9419097 0.0542049 -0.0246253 0.0423585 3.5833495 -0.0805215 0.0127469 -0.0553974 2.8129348 44 Si 2.9419097 -0.0542049 -0.0246253 -0.0423585 3.5833495 0.0805215 0.0127469 0.0553974 2.8129348 45 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 46 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 47 Y 3.8967926 -0.2772662 -0.2541969 -0.3185631 3.7881050 -0.1731860 -0.1658037 -0.1757268 3.8973870 48 Y 3.8967926 0.2772662 -0.2541969 0.3185631 3.7881050 0.1731860 -0.1658037 0.1757268 3.8973870 49 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 50 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 51 Y 4.0668976 0.3357443 0.1752525 0.3021986 3.4870214 0.3937715 0.1897729 0.2525289 3.8877110 52 Y 4.0668976 -0.3357443 0.1752525 -0.3021986 3.4870214 -0.3937715 0.1897729 -0.2525289 3.8877110 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 10.010 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.767 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.347 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.031 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 12.884 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.432 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 14.129 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.225 ( 0.000 0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 19.118 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.271 ( 0.000 0.000 0.000) 0.000 20.367 ( 0.000 0.000 0.000) 0.000 20.445 ( 0.000 0.000 0.000) 0.000 20.446 ( 0.000 0.000 0.000) 0.000 20.594 ( 0.000 0.000 0.000) 0.000 20.787 ( 0.000 0.000 0.000) 0.000 20.816 ( 0.000 0.000 0.000) 0.000 20.906 ( 0.000 0.000 0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 21.482 ( 0.000 0.000 0.000) 0.000 21.531 ( 0.000 0.000 0.000) 0.000 21.607 ( 0.000 0.000 0.000) 0.000 21.615 ( 0.000 0.000 0.000) 0.000 21.653 ( 0.000 0.000 0.000) 0.000 21.708 ( 0.000 0.000 0.000) 0.000 21.709 ( 0.000 0.000 0.000) 0.000 21.940 ( 0.000 0.000 0.000) 0.000 22.035 ( 0.000 0.000 0.000) 0.000 22.410 ( 0.000 0.000 0.000) 0.000 22.431 ( 0.000 0.000 0.000) 0.000 22.611 ( 0.000 0.000 0.000) 0.000 22.876 ( 0.000 0.000 0.000) 0.000 22.939 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 23.013 ( 0.000 0.000 0.000) 0.000 23.327 ( 0.000 0.000 0.000) 0.000 23.369 ( 0.000 0.000 0.000) 0.000 23.382 ( 0.000 0.000 0.000) 0.000 24.152 ( 0.000 0.000 0.000) 0.000 24.498 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 24.799 ( 0.000 0.000 0.000) 0.000 24.999 ( 0.000 0.000 0.000) 0.000 25.041 ( 0.000 0.000 0.000) 0.000 25.114 ( 0.000 0.000 0.000) 0.000 25.423 ( 0.000 0.000 0.000) 0.000 25.556 ( 0.000 0.000 0.000) 0.000 25.733 ( 0.000 0.000 0.000) 0.000 25.788 ( 0.000 0.000 0.000) 0.000 25.979 ( 0.000 0.000 0.000) 0.000 26.033 ( 0.000 0.000 0.000) 0.000 26.122 ( 0.000 0.000 0.000) 0.000 26.194 ( 0.000 0.000 0.000) 0.000 26.471 ( 0.000 0.000 0.000) 0.000 26.522 ( 0.000 0.000 0.000) 0.000 26.724 ( 0.000 0.000 0.000) 0.000 26.805 ( 0.000 0.000 0.000) 0.000 26.846 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 27.223 ( 0.000 0.000 0.000) 0.000 27.638 ( 0.000 0.000 0.000) 0.000 27.971 ( 0.000 0.000 0.000) 0.000 28.317 ( 0.000 0.000 0.000) 0.000 28.411 ( 0.000 0.000 0.000) 0.000 29.675 ( 0.000 0.000 0.000) 0.000 29.903 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 39.129 0.000 16.969) 42.650 0.975 ( 41.219 0.000 24.514) 47.957 1.616 ( 54.993 0.000 23.636) 59.857 2.086 ( 0.555 0.000 2.578) 2.637 2.143 ( 33.774 0.000 11.581) 35.704 2.443 ( 0.715 0.000 9.296) 9.324 2.670 ( -4.187 0.000 2.453) 4.853 2.713 ( -1.759 0.000 4.783) 5.096 3.191 ( 6.286 0.000 -1.063) 6.375 3.304 ( 10.240 0.000 2.365) 10.510 3.426 ( 7.750 0.000 1.870) 7.973 3.724 ( 1.504 0.000 -4.586) 4.826 3.756 ( 8.383 0.000 -7.438) 11.207 4.068 ( 7.661 0.000 6.234) 9.877 4.321 ( 6.463 0.000 -14.620) 15.985 4.413 ( -4.519 0.000 -4.841) 6.622 4.444 ( 9.251 0.000 2.430) 9.565 4.503 ( 1.781 0.000 -10.488) 10.638 4.567 ( -1.248 0.000 16.794) 16.840 5.024 ( 6.185 0.000 0.651) 6.219 5.056 ( 4.185 0.000 -1.495) 4.444 5.187 ( 4.205 0.000 -2.676) 4.984 5.371 ( 0.529 0.000 2.670) 2.722 5.451 ( -7.333 0.000 3.850) 8.282 5.915 ( -8.784 0.000 18.371) 20.363 6.000 ( -3.643 0.000 -1.733) 4.034 6.228 ( -1.625 0.000 -15.984) 16.067 6.266 ( -0.545 0.000 5.933) 5.958 6.457 ( 11.935 0.000 2.121) 12.122 6.510 ( -4.746 0.000 -12.415) 13.291 6.557 ( -3.770 0.000 2.243) 4.387 6.777 ( 13.193 0.000 -6.758) 14.823 6.778 ( 19.630 0.000 -4.776) 20.203 6.891 ( 8.985 0.000 -4.439) 10.022 7.120 ( 11.631 0.000 -4.241) 12.380 7.463 ( 2.199 0.000 -1.680) 2.767 7.497 ( 4.310 0.000 5.938) 7.337 7.693 ( -3.080 0.000 9.424) 9.914 7.792 ( -1.791 0.000 0.729) 1.934 7.996 ( -5.364 0.000 -12.159) 13.290 7.996 ( 5.275 0.000 10.456) 11.711 8.054 ( -3.154 0.000 9.291) 9.812 8.396 ( -7.077 0.000 -2.675) 7.566 8.648 ( -2.828 0.000 2.546) 3.805 8.783 ( -9.171 0.000 -3.941) 9.982 9.099 ( 1.311 0.000 -3.530) 3.765 9.343 ( 4.254 0.000 -1.226) 4.427 9.548 ( 1.105 0.000 -12.268) 12.317 9.675 ( 0.675 0.000 0.959) 1.173 9.686 ( 17.595 0.000 -0.889) 17.618 9.937 ( -3.045 0.000 -7.953) 8.516 9.976 ( -1.927 0.000 0.919) 2.134 10.351 ( -4.127 0.000 -1.179) 4.292 10.383 ( 5.932 0.000 -2.174) 6.318 10.645 ( 7.094 0.000 0.129) 7.095 10.739 ( 2.124 0.000 2.173) 3.039 10.824 ( 5.492 0.000 -1.537) 5.703 10.865 ( -0.299 0.000 11.387) 11.391 10.948 ( 2.730 0.000 8.221) 8.662 11.127 ( -6.329 0.000 -13.795) 15.178 11.249 ( -21.960 0.000 -2.495) 22.101 11.327 ( 0.481 0.000 -5.641) 5.661 11.539 ( 6.185 0.000 -5.088) 8.009 11.797 ( -2.591 0.000 9.734) 10.073 11.886 ( -3.414 0.000 3.729) 5.055 11.887 ( -6.923 0.000 -0.738) 6.962 12.121 ( 5.663 0.000 8.124) 9.903 12.216 ( 3.347 0.000 2.804) 4.366 12.461 ( -7.530 0.000 12.249) 14.379 12.606 ( 0.036 0.000 11.546) 11.546 12.620 ( 7.663 0.000 -6.829) 10.264 12.832 ( 2.317 0.000 -7.650) 7.994 12.872 ( 7.349 0.000 -7.928) 10.810 13.196 ( -3.562 0.000 -5.918) 6.907 13.213 ( -11.625 0.000 1.885) 11.777 13.416 ( 1.025 0.000 -6.183) 6.268 13.677 ( 1.633 0.000 8.339) 8.498 13.686 ( 10.858 0.000 -0.114) 10.859 14.119 ( -1.935 0.000 -7.885) 8.119 14.170 ( 3.267 0.000 0.101) 3.269 14.336 ( 5.319 0.000 -4.332) 6.860 14.942 ( -13.038 0.000 -12.741) 18.229 15.166 ( -9.200 0.000 6.441) 11.231 15.197 ( -3.191 0.000 10.854) 11.313 15.477 ( -0.009 0.000 2.767) 2.767 15.592 ( -2.220 0.000 0.056) 2.221 15.672 ( -3.171 0.000 1.923) 3.709 15.858 ( 1.126 0.000 -2.795) 3.013 15.871 ( 0.163 0.000 5.260) 5.263 16.238 ( 13.015 0.000 3.195) 13.401 16.449 ( 2.236 0.000 -8.774) 9.054 16.965 ( -3.113 0.000 2.808) 4.192 16.984 ( -9.080 0.000 13.812) 16.529 16.999 ( -3.080 0.000 3.365) 4.562 17.621 ( -11.572 0.000 -9.016) 14.669 18.983 ( -15.032 0.000 -10.300) 18.222 19.950 ( -1.189 0.000 3.141) 3.359 20.056 ( 8.935 0.000 -0.031) 8.935 20.255 ( -6.895 0.000 3.978) 7.960 20.359 ( -3.496 0.000 -5.866) 6.829 20.361 ( -0.246 0.000 0.109) 0.269 20.518 ( 6.152 0.000 3.287) 6.975 20.580 ( -0.246 0.000 -3.644) 3.652 20.763 ( -2.192 0.000 -0.792) 2.331 20.817 ( -1.677 0.000 3.456) 3.842 20.911 ( 0.182 0.000 1.245) 1.259 20.998 ( 2.857 0.000 -6.431) 7.037 21.424 ( -4.422 0.000 -2.635) 5.148 21.495 ( -11.066 0.000 -7.494) 13.365 21.602 ( -2.154 0.000 -10.240) 10.464 21.617 ( -1.745 0.000 2.030) 2.677 21.652 ( 3.367 0.000 2.144) 3.992 21.656 ( -1.295 0.000 0.563) 1.412 21.804 ( 2.184 0.000 2.385) 3.234 21.956 ( -8.071 0.000 -0.136) 8.072 22.033 ( 0.694 0.000 6.698) 6.733 22.306 ( -7.939 0.000 -5.046) 9.407 22.360 ( -8.456 0.000 -1.075) 8.524 22.728 ( -7.170 0.000 0.490) 7.187 22.760 ( 5.922 0.000 11.749) 13.158 23.008 ( 1.828 0.000 5.827) 6.107 23.147 ( 13.610 0.000 -0.330) 13.614 23.274 ( 3.732 0.000 -7.512) 8.388 23.432 ( 0.912 0.000 5.488) 5.563 23.488 ( 6.915 0.000 8.982) 11.335 24.199 ( 8.320 0.000 -4.399) 9.412 24.421 ( 8.198 0.000 -8.281) 11.653 24.548 ( 3.335 0.000 4.630) 5.706 24.580 ( 0.912 0.000 -1.150) 1.468 24.951 ( -0.445 0.000 -5.225) 5.244 25.098 ( 3.779 0.000 1.166) 3.955 25.105 ( -0.569 0.000 -0.728) 0.924 25.299 ( -12.283 0.000 20.006) 23.475 25.540 ( 1.238 0.000 -4.437) 4.607 25.728 ( -2.743 0.000 -3.752) 4.648 25.729 ( -1.245 0.000 0.742) 1.450 25.965 ( 4.910 0.000 -4.365) 6.570 25.993 ( 0.064 0.000 3.051) 3.052 26.076 ( 1.743 0.000 4.021) 4.382 26.187 ( -1.771 0.000 2.394) 2.978 26.274 ( -0.101 0.000 4.129) 4.130 26.529 ( 8.095 0.000 -0.624) 8.119 26.604 ( -10.183 0.000 -0.934) 10.225 26.699 ( -2.240 0.000 -2.325) 3.229 26.805 ( 5.292 0.000 -2.260) 5.754 26.922 ( 5.805 0.000 -1.801) 6.078 27.008 ( 5.675 0.000 -6.521) 8.644 27.118 ( 1.186 0.000 5.096) 5.232 27.240 ( 7.404 0.000 -3.802) 8.324 27.590 ( -4.367 0.000 -1.591) 4.648 27.944 ( 17.001 0.000 -18.319) 24.992 28.329 ( 1.021 0.000 0.507) 1.140 28.439 ( 4.576 0.000 -1.887) 4.950 29.056 ( -11.370 0.000 14.597) 18.502 29.631 ( -3.009 0.000 -2.897) 4.178 29.895 ( -3.535 0.000 4.481) 5.708 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 22.458 0.000 6.793) 23.463 1.691 ( 3.514 0.000 8.239) 8.957 1.963 ( 19.990 0.000 1.376) 20.037 2.212 ( 12.431 0.000 9.194) 15.462 2.637 ( 8.475 0.000 14.861) 17.107 2.750 ( 11.986 0.000 -2.093) 12.167 2.754 ( 0.832 0.000 9.692) 9.728 3.320 ( 42.003 0.000 18.514) 45.903 3.335 ( 6.820 0.000 3.315) 7.583 3.528 ( 12.343 0.000 2.034) 12.509 3.680 ( 22.391 0.000 8.747) 24.039 3.767 ( 9.379 0.000 2.878) 9.811 3.812 ( 6.917 0.000 -11.082) 13.063 4.206 ( 4.840 0.000 -0.895) 4.922 4.253 ( -1.250 0.000 -11.631) 11.698 4.333 ( 6.707 0.000 -9.839) 11.908 4.513 ( -0.368 0.000 9.659) 9.666 4.640 ( 21.040 0.000 -9.388) 23.039 4.656 ( -4.995 0.000 11.450) 12.492 4.972 ( -5.060 0.000 -5.470) 7.451 5.174 ( -1.179 0.000 -4.665) 4.812 5.266 ( 13.196 0.000 3.707) 13.707 5.433 ( -2.748 0.000 13.592) 13.867 5.464 ( 3.300 0.000 4.033) 5.211 5.875 ( -2.240 0.000 -9.683) 9.939 5.958 ( -1.637 0.000 7.192) 7.376 6.074 ( 3.072 0.000 -16.775) 17.054 6.267 ( -5.000 0.000 -17.070) 17.787 6.270 ( -6.548 0.000 3.170) 7.275 6.434 ( -8.660 0.000 3.934) 9.511 6.675 ( 6.707 0.000 6.519) 9.353 7.037 ( 8.898 0.000 9.154) 12.766 7.070 ( 8.570 0.000 -4.899) 9.872 7.106 ( -1.798 0.000 -9.522) 9.691 7.108 ( 24.092 0.000 -6.384) 24.923 7.507 ( 5.620 0.000 -3.381) 6.559 7.667 ( 6.510 0.000 -0.646) 6.542 7.745 ( 3.079 0.000 -19.837) 20.074 7.765 ( 0.790 0.000 12.916) 12.940 7.912 ( 11.103 0.000 0.594) 11.118 8.106 ( -4.285 0.000 17.134) 17.662 8.263 ( 8.907 0.000 20.567) 22.413 8.299 ( 2.564 0.000 -4.676) 5.333 8.461 ( -20.247 0.000 -8.729) 22.048 8.734 ( 8.990 0.000 3.980) 9.832 8.916 ( -5.404 0.000 -23.727) 24.335 9.241 ( -4.730 0.000 -4.661) 6.640 9.565 ( 8.651 0.000 -10.587) 13.672 9.607 ( -2.001 0.000 -0.231) 2.014 9.942 ( 14.071 0.000 -9.305) 16.870 10.034 ( 2.772 0.000 11.486) 11.816 10.047 ( 4.926 0.000 6.414) 8.087 10.378 ( 3.488 0.000 5.825) 6.790 10.431 ( -1.389 0.000 0.940) 1.677 10.584 ( -10.662 0.000 -3.594) 11.251 10.754 ( -5.088 0.000 -11.441) 12.522 10.777 ( -4.415 0.000 1.455) 4.649 10.863 ( -5.323 0.000 9.003) 10.459 10.974 ( 4.715 0.000 -8.030) 9.312 11.086 ( 1.944 0.000 -2.455) 3.132 11.159 ( 12.407 0.000 5.703) 13.655 11.347 ( 10.733 0.000 -0.484) 10.743 11.628 ( 2.069 0.000 5.082) 5.487 11.783 ( -4.717 0.000 4.308) 6.389 11.847 ( -4.793 0.000 3.131) 5.725 11.853 ( -0.979 0.000 3.862) 3.984 12.161 ( -2.709 0.000 -1.986) 3.359 12.205 ( -6.342 0.000 3.191) 7.100 12.375 ( -9.931 0.000 3.457) 10.515 12.562 ( -8.103 0.000 -1.367) 8.218 12.812 ( 11.915 0.000 3.502) 12.419 12.914 ( 11.771 0.000 -5.806) 13.125 12.980 ( 9.785 0.000 3.745) 10.477 13.119 ( -0.973 0.000 4.029) 4.145 13.245 ( 9.850 0.000 0.673) 9.873 13.375 ( 0.010 0.000 -2.390) 2.390 13.723 ( -4.168 0.000 5.926) 7.244 13.801 ( 6.603 0.000 -5.499) 8.593 13.952 ( -5.289 0.000 -11.629) 12.775 14.258 ( 4.071 0.000 1.916) 4.500 14.328 ( 0.737 0.000 -10.496) 10.522 14.600 ( -8.275 0.000 -13.640) 15.954 15.075 ( -11.867 0.000 12.675) 17.363 15.240 ( -3.745 0.000 7.313) 8.216 15.484 ( -2.356 0.000 4.480) 5.061 15.612 ( 4.003 0.000 -1.537) 4.288 15.639 ( -2.904 0.000 3.763) 4.753 15.853 ( 1.176 0.000 -2.126) 2.429 15.875 ( -6.070 0.000 3.414) 6.964 16.405 ( 0.945 0.000 -5.143) 5.229 16.479 ( 11.513 0.000 2.045) 11.693 16.920 ( -6.101 0.000 3.627) 7.098 16.930 ( -4.241 0.000 -0.909) 4.337 17.005 ( -15.417 0.000 30.455) 34.134 17.232 ( -19.226 0.000 -15.182) 24.498 18.481 ( -26.143 0.000 -18.906) 32.263 19.953 ( -1.270 0.000 1.555) 2.007 20.124 ( -9.304 0.000 1.383) 9.406 20.199 ( 5.622 0.000 -1.437) 5.802 20.282 ( -1.156 0.000 -4.299) 4.452 20.369 ( 0.695 0.000 0.844) 1.093 20.517 ( -3.436 0.000 -2.867) 4.475 20.694 ( 8.517 0.000 5.434) 10.103 20.735 ( 0.456 0.000 1.516) 1.583 20.809 ( -4.130 0.000 2.174) 4.668 20.943 ( 2.360 0.000 1.164) 2.632 20.948 ( -0.034 0.000 -8.897) 8.897 21.270 ( -7.071 0.000 -3.137) 7.736 21.306 ( -6.325 0.000 -2.074) 6.657 21.474 ( -2.212 0.000 -6.383) 6.756 21.567 ( -5.771 0.000 -0.355) 5.782 21.642 ( 0.753 0.000 -2.324) 2.443 21.690 ( -5.039 0.000 4.266) 6.602 21.858 ( -0.901 0.000 2.253) 2.427 21.860 ( 3.130 0.000 -0.586) 3.184 22.055 ( -4.875 0.000 5.658) 7.469 22.134 ( -4.531 0.000 -4.364) 6.291 22.196 ( -8.394 0.000 -0.629) 8.418 22.640 ( -5.656 0.000 1.871) 5.957 22.860 ( -4.966 0.000 1.876) 5.308 23.078 ( 0.680 0.000 5.213) 5.257 23.330 ( 10.151 0.000 -5.134) 11.376 23.391 ( 11.366 0.000 4.054) 12.068 23.461 ( -3.136 0.000 3.659) 4.819 23.757 ( 17.812 0.000 2.351) 17.967 24.341 ( 12.195 0.000 -3.793) 12.771 24.491 ( 6.409 0.000 -3.275) 7.197 24.576 ( 0.548 0.000 -3.116) 3.164 24.694 ( 6.551 0.000 7.516) 9.970 24.906 ( 2.261 0.000 -6.373) 6.762 25.084 ( -0.481 0.000 -1.447) 1.525 25.152 ( 1.706 0.000 -1.607) 2.344 25.281 ( -5.763 0.000 8.357) 10.152 25.549 ( 5.607 0.000 -3.844) 6.798 25.655 ( -1.963 0.000 -3.238) 3.787 25.704 ( -1.892 0.000 -0.042) 1.893 26.014 ( 3.913 0.000 -1.184) 4.088 26.039 ( 1.440 0.000 3.832) 4.094 26.147 ( 2.125 0.000 3.007) 3.682 26.197 ( -1.025 0.000 5.314) 5.412 26.287 ( -0.727 0.000 2.112) 2.233 26.477 ( -4.320 0.000 1.305) 4.513 26.655 ( -1.385 0.000 3.340) 3.615 26.730 ( 11.087 0.000 0.748) 11.112 26.814 ( -0.418 0.000 -5.959) 5.974 26.970 ( 1.753 0.000 -1.209) 2.130 27.024 ( 3.043 0.000 -8.921) 9.426 27.119 ( -0.692 0.000 2.693) 2.780 27.381 ( 5.996 0.000 -2.426) 6.468 27.508 ( 1.151 0.000 -3.183) 3.385 28.084 ( 13.350 0.000 -7.745) 15.434 28.354 ( 2.113 0.000 -1.121) 2.392 28.528 ( 4.967 0.000 3.502) 6.077 28.989 ( -9.114 0.000 8.140) 12.220 29.548 ( -2.679 0.000 -2.736) 3.829 29.872 ( -5.445 0.000 6.878) 8.772 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -12.363 0.000 2.563) 12.626 1.715 ( 2.446 0.000 -3.300) 4.108 2.279 ( 2.876 0.000 -1.059) 3.065 2.646 ( 20.714 0.000 5.875) 21.531 2.944 ( 17.101 0.000 3.560) 17.468 3.007 ( 11.918 0.000 20.858) 24.023 3.030 ( 17.180 0.000 7.402) 18.706 3.357 ( -7.379 0.000 -1.184) 7.473 3.695 ( 11.581 0.000 -0.207) 11.583 3.720 ( 5.632 0.000 -0.411) 5.647 3.758 ( 2.319 0.000 -7.141) 7.508 3.846 ( 9.221 0.000 -1.289) 9.311 4.215 ( 10.472 0.000 -11.158) 15.303 4.233 ( -1.606 0.000 0.253) 1.626 4.307 ( 14.542 0.000 0.729) 14.561 4.369 ( 7.838 0.000 -7.985) 11.188 4.573 ( 4.140 0.000 5.679) 7.028 4.642 ( -6.150 0.000 7.585) 9.765 4.875 ( 0.244 0.000 -2.103) 2.117 5.090 ( -4.230 0.000 -2.674) 5.004 5.182 ( 27.421 0.000 4.966) 27.867 5.385 ( 3.960 0.000 10.122) 10.869 5.422 ( -7.449 0.000 -4.636) 8.774 5.669 ( 8.417 0.000 10.181) 13.210 5.786 ( 1.557 0.000 -12.369) 12.467 5.963 ( -5.785 0.000 5.773) 8.173 6.051 ( 8.169 0.000 -13.822) 16.056 6.065 ( 2.130 0.000 -10.916) 11.122 6.157 ( -0.118 0.000 -1.036) 1.043 6.404 ( -1.655 0.000 4.537) 4.829 6.706 ( -17.872 0.000 -14.294) 22.885 6.813 ( 2.369 0.000 7.251) 7.628 7.194 ( 0.925 0.000 0.918) 1.303 7.239 ( 1.899 0.000 13.471) 13.605 7.353 ( 6.880 0.000 -0.085) 6.880 7.380 ( -15.802 0.000 -18.647) 24.442 7.605 ( 9.512 0.000 -0.561) 9.529 7.700 ( -3.498 0.000 -19.643) 19.952 8.023 ( -16.878 0.000 -6.883) 18.227 8.043 ( 16.425 0.000 11.158) 19.857 8.192 ( 19.690 0.000 -0.220) 19.691 8.304 ( 4.718 0.000 24.642) 25.090 8.328 ( 2.370 0.000 -12.502) 12.725 8.681 ( 14.889 0.000 22.151) 26.690 8.848 ( 25.298 0.000 -13.550) 28.698 8.959 ( 11.131 0.000 2.679) 11.449 9.155 ( -3.710 0.000 2.513) 4.481 9.598 ( 10.044 0.000 -13.558) 16.873 9.628 ( 0.925 0.000 2.544) 2.707 9.955 ( -14.273 0.000 -7.893) 16.310 9.987 ( 3.528 0.000 -11.295) 11.833 10.118 ( -5.486 0.000 1.545) 5.699 10.306 ( -5.938 0.000 -5.496) 8.091 10.364 ( -13.042 0.000 18.741) 22.833 10.500 ( -6.546 0.000 5.733) 8.701 10.718 ( 6.367 0.000 -0.148) 6.368 10.743 ( 3.083 0.000 -0.697) 3.161 10.904 ( 2.169 0.000 -11.871) 12.068 11.068 ( 18.418 0.000 4.232) 18.898 11.149 ( 5.578 0.000 1.888) 5.889 11.454 ( 7.781 0.000 10.972) 13.451 11.560 ( 8.409 0.000 3.303) 9.034 11.615 ( -5.735 0.000 1.705) 5.983 11.772 ( -3.943 0.000 6.500) 7.603 11.866 ( 6.659 0.000 0.636) 6.690 11.875 ( 4.708 0.000 -5.071) 6.920 12.074 ( -4.800 0.000 -0.855) 4.875 12.108 ( -11.073 0.000 7.753) 13.518 12.230 ( -6.401 0.000 -1.917) 6.682 12.408 ( -6.775 0.000 -3.643) 7.692 12.994 ( 7.941 0.000 3.106) 8.527 13.055 ( 0.859 0.000 5.054) 5.126 13.206 ( 1.163 0.000 -0.157) 1.174 13.225 ( 18.124 0.000 1.999) 18.234 13.416 ( 6.372 0.000 0.809) 6.423 13.447 ( 14.762 0.000 -5.090) 15.614 13.702 ( -3.802 0.000 7.696) 8.584 13.754 ( -1.225 0.000 -8.310) 8.400 13.908 ( 9.393 0.000 1.061) 9.452 14.202 ( -2.451 0.000 -7.264) 7.666 14.308 ( 1.544 0.000 -0.579) 1.649 14.412 ( 0.497 0.000 -16.181) 16.188 15.011 ( -7.566 0.000 8.090) 11.076 15.160 ( -11.252 0.000 2.392) 11.503 15.518 ( -3.414 0.000 13.305) 13.736 15.635 ( -1.695 0.000 -1.310) 2.142 15.664 ( 6.241 0.000 -11.748) 13.303 15.702 ( -18.530 0.000 9.463) 20.807 15.883 ( 1.270 0.000 7.073) 7.186 16.381 ( -1.190 0.000 -2.796) 3.039 16.658 ( 7.024 0.000 2.502) 7.456 16.693 ( -18.341 0.000 -15.647) 24.108 16.834 ( -5.453 0.000 -1.209) 5.585 16.880 ( -6.456 0.000 1.105) 6.549 17.048 ( -13.496 0.000 27.447) 30.586 17.800 ( -29.061 0.000 -21.674) 36.253 19.924 ( -3.171 0.000 -0.804) 3.271 20.005 ( -5.610 0.000 0.324) 5.619 20.186 ( -1.572 0.000 -3.561) 3.893 20.212 ( -3.172 0.000 -2.880) 4.284 20.402 ( 1.340 0.000 2.263) 2.630 20.419 ( -4.733 0.000 -1.896) 5.099 20.682 ( -8.037 0.000 -3.821) 8.899 20.781 ( 0.973 0.000 0.777) 1.245 20.853 ( -2.337 0.000 -6.398) 6.812 20.871 ( 6.317 0.000 -1.873) 6.589 20.996 ( 1.214 0.000 3.595) 3.795 21.205 ( -4.090 0.000 2.659) 4.878 21.234 ( 1.811 0.000 2.187) 2.839 21.426 ( 1.958 0.000 -2.474) 3.155 21.478 ( -0.688 0.000 0.062) 0.691 21.648 ( 2.845 0.000 -2.423) 3.737 21.648 ( -5.268 0.000 8.554) 10.047 21.884 ( 0.647 0.000 -3.575) 3.633 21.884 ( -0.287 0.000 0.806) 0.855 21.978 ( -7.338 0.000 4.888) 8.817 22.114 ( 3.659 0.000 0.656) 3.718 22.114 ( -3.637 0.000 3.126) 4.795 22.552 ( -6.061 0.000 0.055) 6.061 22.669 ( -11.547 0.000 -8.029) 14.064 23.163 ( 1.323 0.000 7.349) 7.467 23.373 ( 3.209 0.000 -9.098) 9.648 23.412 ( -3.950 0.000 -0.038) 3.950 23.613 ( 9.355 0.000 2.967) 9.814 24.090 ( 17.415 0.000 1.793) 17.507 24.496 ( 7.281 0.000 -0.665) 7.311 24.532 ( -0.139 0.000 -5.153) 5.155 24.568 ( 5.197 0.000 -1.483) 5.404 24.894 ( 6.850 0.000 9.155) 11.434 24.915 ( 5.385 0.000 -5.719) 7.855 25.065 ( 0.328 0.000 -1.888) 1.917 25.120 ( -1.397 0.000 -3.694) 3.949 25.267 ( -2.952 0.000 3.992) 4.965 25.594 ( -1.817 0.000 -2.934) 3.451 25.652 ( 5.402 0.000 1.468) 5.598 25.677 ( 1.810 0.000 -2.843) 3.370 26.071 ( 3.515 0.000 -0.161) 3.519 26.108 ( 2.752 0.000 2.183) 3.513 26.190 ( 1.125 0.000 0.530) 1.244 26.260 ( 0.684 0.000 8.080) 8.109 26.325 ( 2.329 0.000 2.890) 3.712 26.478 ( 1.308 0.000 2.578) 2.891 26.652 ( -2.997 0.000 4.038) 5.029 26.710 ( -3.408 0.000 -6.327) 7.186 26.898 ( 5.747 0.000 -1.017) 5.836 26.934 ( -3.028 0.000 -6.278) 6.970 26.988 ( 2.079 0.000 1.946) 2.848 27.143 ( -2.209 0.000 3.888) 4.471 27.356 ( 2.173 0.000 -8.461) 8.735 27.583 ( 6.336 0.000 -3.398) 7.190 28.217 ( 9.069 0.000 -4.818) 10.269 28.373 ( 2.406 0.000 -3.138) 3.954 28.664 ( 5.793 0.000 4.669) 7.440 28.918 ( -7.358 0.000 6.670) 9.931 29.509 ( 0.391 0.000 -0.929) 1.008 29.851 ( -4.942 0.000 7.246) 8.770 ======================= Grid point 4 (5/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -5.668 0.000 7.438) 9.351 1.715 ( 3.009 0.000 -3.859) 4.893 2.175 ( -5.580 0.000 -6.789) 8.788 2.845 ( -3.645 0.000 -2.041) 4.177 3.137 ( 1.444 0.000 -1.817) 2.321 3.149 ( 8.368 0.000 -2.588) 8.759 3.407 ( 14.597 0.000 6.673) 16.050 3.462 ( 4.435 0.000 10.958) 11.822 3.714 ( 6.938 0.000 0.520) 6.958 3.805 ( 0.140 0.000 -1.841) 1.846 3.821 ( 2.166 0.000 -0.755) 2.294 4.042 ( 13.927 0.000 0.322) 13.931 4.137 ( -4.749 0.000 1.649) 5.027 4.350 ( 15.854 0.000 -9.355) 18.408 4.418 ( -0.110 0.000 1.360) 1.365 4.467 ( 5.639 0.000 4.569) 7.258 4.622 ( -3.331 0.000 5.237) 6.206 4.763 ( 11.315 0.000 -0.713) 11.338 4.888 ( 2.800 0.000 -1.937) 3.404 4.967 ( -8.890 0.000 -2.044) 9.122 5.219 ( -6.488 0.000 -6.399) 9.113 5.270 ( -1.642 0.000 1.043) 1.945 5.625 ( -7.237 0.000 5.759) 9.249 5.652 ( -0.085 0.000 -17.579) 17.579 5.748 ( 6.263 0.000 -2.819) 6.869 5.942 ( -3.100 0.000 8.214) 8.779 5.965 ( -0.190 0.000 -5.286) 5.289 6.174 ( 9.095 0.000 -3.667) 9.807 6.323 ( 8.698 0.000 3.217) 9.274 6.349 ( -8.776 0.000 -8.108) 11.948 6.436 ( 2.977 0.000 -1.058) 3.159 6.913 ( -17.078 0.000 -13.410) 21.714 6.922 ( 1.664 0.000 6.761) 6.963 7.149 ( -4.370 0.000 -7.313) 8.519 7.378 ( 2.752 0.000 11.451) 11.777 7.441 ( -4.873 0.000 -4.067) 6.347 7.467 ( 4.134 0.000 5.555) 6.925 7.711 ( -11.265 0.000 -8.193) 13.929 7.771 ( 6.184 0.000 3.458) 7.085 8.247 ( -2.135 0.000 3.417) 4.029 8.412 ( 14.892 0.000 5.096) 15.740 8.512 ( 15.337 0.000 -8.615) 17.591 8.701 ( 9.485 0.000 28.341) 29.886 9.027 ( 6.477 0.000 -3.557) 7.389 9.091 ( 13.596 0.000 -10.235) 17.018 9.163 ( 11.716 0.000 8.505) 14.477 9.311 ( 21.478 0.000 -2.926) 21.677 9.585 ( -13.803 0.000 -1.247) 13.859 9.661 ( 5.971 0.000 -3.833) 7.095 9.679 ( -4.246 0.000 3.012) 5.206 9.905 ( -4.056 0.000 -2.398) 4.712 9.965 ( -3.072 0.000 -6.539) 7.225 10.155 ( -20.044 0.000 2.707) 20.226 10.156 ( -6.321 0.000 -7.324) 9.674 10.589 ( 1.400 0.000 12.186) 12.266 10.782 ( 2.638 0.000 -4.884) 5.551 10.833 ( 7.191 0.000 2.518) 7.619 10.941 ( 6.472 0.000 0.835) 6.525 11.238 ( -1.022 0.000 -10.478) 10.528 11.245 ( 2.511 0.000 2.168) 3.317 11.579 ( 7.352 0.000 4.541) 8.642 11.649 ( -2.465 0.000 -1.343) 2.807 11.740 ( 6.519 0.000 14.840) 16.209 11.777 ( -0.740 0.000 10.896) 10.921 11.883 ( 3.132 0.000 -8.976) 9.506 11.962 ( -3.536 0.000 -0.302) 3.549 11.978 ( -8.055 0.000 3.210) 8.670 12.048 ( 8.080 0.000 -0.544) 8.098 12.192 ( 0.782 0.000 1.634) 1.811 12.257 ( -6.316 0.000 -4.825) 7.948 13.040 ( -7.774 0.000 7.790) 11.006 13.075 ( -5.409 0.000 -12.261) 13.401 13.171 ( 8.332 0.000 3.255) 8.945 13.514 ( 1.660 0.000 0.077) 1.662 13.578 ( 19.750 0.000 -3.648) 20.085 13.613 ( 10.033 0.000 -4.484) 10.989 13.750 ( -0.287 0.000 7.197) 7.203 13.832 ( 15.500 0.000 1.016) 15.533 14.090 ( 0.115 0.000 5.824) 5.825 14.150 ( -0.654 0.000 -0.074) 0.659 14.302 ( 6.496 0.000 -12.798) 14.352 14.418 ( 12.022 0.000 4.669) 12.897 14.947 ( -11.711 0.000 0.776) 11.737 14.973 ( -0.733 0.000 -1.335) 1.523 15.315 ( -24.813 0.000 0.242) 24.814 15.535 ( -5.677 0.000 -2.963) 6.404 15.627 ( -5.746 0.000 21.496) 22.251 15.717 ( 5.978 0.000 -7.702) 9.749 15.958 ( -8.096 0.000 -8.817) 11.970 16.118 ( -11.803 0.000 4.159) 12.514 16.490 ( 2.979 0.000 -5.006) 5.826 16.728 ( -2.214 0.000 -1.437) 2.639 16.781 ( 1.369 0.000 3.515) 3.772 16.820 ( -3.397 0.000 2.220) 4.058 17.051 ( -8.820 0.000 12.771) 15.521 17.173 ( -20.025 0.000 -16.767) 26.117 19.839 ( -3.897 0.000 -2.112) 4.433 19.941 ( -1.982 0.000 -0.221) 1.994 20.116 ( -5.157 0.000 -1.393) 5.341 20.153 ( 0.118 0.000 -0.657) 0.668 20.360 ( 0.020 0.000 -0.913) 0.913 20.449 ( 1.065 0.000 2.891) 3.081 20.524 ( -6.139 0.000 -2.949) 6.810 20.761 ( -2.254 0.000 -3.561) 4.214 20.766 ( -1.977 0.000 -4.812) 5.203 20.785 ( -3.945 0.000 -3.281) 5.131 21.092 ( 2.473 0.000 0.798) 2.599 21.231 ( 0.874 0.000 7.126) 7.179 21.281 ( 1.594 0.000 -0.527) 1.679 21.505 ( 5.526 0.000 3.336) 6.455 21.517 ( 2.420 0.000 -1.011) 2.623 21.704 ( 6.155 0.000 -0.973) 6.232 21.715 ( 2.700 0.000 9.253) 9.639 21.800 ( -5.301 0.000 -0.697) 5.347 21.878 ( -1.728 0.000 2.121) 2.735 21.967 ( 0.134 0.000 1.452) 1.458 22.094 ( -3.534 0.000 5.194) 6.282 22.204 ( 4.444 0.000 1.180) 4.598 22.369 ( -11.721 0.000 -11.119) 16.155 22.442 ( -5.499 0.000 -1.676) 5.748 23.242 ( 1.026 0.000 4.268) 4.390 23.309 ( -0.346 0.000 -6.425) 6.434 23.340 ( -2.644 0.000 -2.679) 3.764 23.754 ( 5.015 0.000 0.931) 5.101 24.338 ( 9.719 0.000 0.853) 9.756 24.470 ( -1.243 0.000 -2.661) 2.937 24.585 ( 2.996 0.000 -0.457) 3.030 24.630 ( 3.110 0.000 -0.718) 3.192 24.958 ( 4.835 0.000 -4.167) 6.383 25.024 ( -0.099 0.000 1.976) 1.979 25.065 ( -1.557 0.000 -2.045) 2.570 25.113 ( 4.546 0.000 6.187) 7.677 25.254 ( -0.315 0.000 -1.221) 1.261 25.538 ( -1.846 0.000 -1.990) 2.715 25.656 ( -0.726 0.000 0.638) 0.967 25.772 ( 5.412 0.000 -0.936) 5.492 26.125 ( 2.495 0.000 0.244) 2.507 26.161 ( 1.721 0.000 0.694) 1.856 26.209 ( 0.821 0.000 0.177) 0.840 26.358 ( 1.438 0.000 7.122) 7.266 26.398 ( 3.266 0.000 1.265) 3.502 26.498 ( 0.139 0.000 -4.925) 4.927 26.626 ( -3.870 0.000 2.919) 4.848 26.652 ( -0.477 0.000 4.680) 4.704 26.828 ( -1.908 0.000 -6.886) 7.146 26.916 ( 0.094 0.000 -0.809) 0.814 27.068 ( 2.876 0.000 1.648) 3.315 27.140 ( -3.584 0.000 7.718) 8.510 27.321 ( 3.661 0.000 -9.820) 10.480 27.612 ( 1.564 0.000 -3.730) 4.045 28.294 ( 4.263 0.000 -2.368) 4.877 28.376 ( 1.553 0.000 -2.803) 3.204 28.789 ( 4.767 0.000 1.720) 5.068 28.874 ( -4.714 0.000 5.288) 7.084 29.534 ( 2.247 0.000 0.245) 2.260 29.841 ( -3.163 0.000 4.751) 5.708 ======================= Grid point 5 (6/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 0.000 -0.000) 0.000 3.829 ( 0.000 0.000 -0.000) 0.000 3.861 ( -0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.345 ( -0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 -0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.528 ( -0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 -0.000) 0.000 7.549 ( 0.000 0.000 -0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 -0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 9.165 ( -0.000 0.000 -0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 -0.000) 0.000 9.296 ( -0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 -0.000) 0.000 9.646 ( -0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 -0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.883 ( -0.000 0.000 -0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.060 ( -0.000 0.000 -0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 -0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 11.930 ( -0.000 0.000 0.000) 0.000 11.997 ( -0.000 0.000 -0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 -0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 -0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 14.121 ( 0.000 0.000 -0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.463 ( -0.000 0.000 -0.000) 0.000 14.965 ( 0.000 0.000 -0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.016 ( -0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.612 ( 0.000 0.000 0.000) 0.000 15.703 ( -0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 -0.000) 0.000 16.164 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.694 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 -0.000) 0.000 19.791 ( 0.000 0.000 0.000) 0.000 19.927 ( 0.000 0.000 0.000) 0.000 20.055 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.378 ( 0.000 0.000 0.000) 0.000 20.439 ( -0.000 0.000 0.000) 0.000 20.478 ( 0.000 0.000 0.000) 0.000 20.684 ( 0.000 0.000 0.000) 0.000 20.723 ( 0.000 0.000 0.000) 0.000 20.761 ( 0.000 0.000 0.000) 0.000 21.106 ( 0.000 0.000 0.000) 0.000 21.286 ( 0.000 0.000 -0.000) 0.000 21.289 ( 0.000 0.000 0.000) 0.000 21.530 ( 0.000 0.000 0.000) 0.000 21.585 ( 0.000 0.000 -0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.809 ( 0.000 0.000 0.000) 0.000 21.818 ( 0.000 0.000 -0.000) 0.000 21.861 ( 0.000 0.000 0.000) 0.000 21.969 ( 0.000 0.000 0.000) 0.000 22.121 ( 0.000 0.000 0.000) 0.000 22.139 ( 0.000 0.000 -0.000) 0.000 22.256 ( 0.000 0.000 0.000) 0.000 22.372 ( 0.000 0.000 0.000) 0.000 23.271 ( 0.000 0.000 0.000) 0.000 23.272 ( 0.000 0.000 0.000) 0.000 23.299 ( 0.000 0.000 0.000) 0.000 23.801 ( 0.000 0.000 0.000) 0.000 24.425 ( 0.000 0.000 0.000) 0.000 24.446 ( 0.000 0.000 0.000) 0.000 24.605 ( 0.000 0.000 0.000) 0.000 24.653 ( 0.000 0.000 0.000) 0.000 24.985 ( 0.000 0.000 -0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.036 ( -0.000 0.000 0.000) 0.000 25.217 ( 0.000 0.000 0.000) 0.000 25.224 ( 0.000 0.000 -0.000) 0.000 25.508 ( 0.000 0.000 0.000) 0.000 25.654 ( 0.000 0.000 0.000) 0.000 25.814 ( 0.000 0.000 0.000) 0.000 26.149 ( 0.000 0.000 0.000) 0.000 26.179 ( 0.000 0.000 0.000) 0.000 26.218 ( 0.000 0.000 0.000) 0.000 26.420 ( 0.000 0.000 0.000) 0.000 26.438 ( 0.000 0.000 0.000) 0.000 26.449 ( 0.000 0.000 -0.000) 0.000 26.599 ( 0.000 0.000 0.000) 0.000 26.713 ( 0.000 0.000 0.000) 0.000 26.747 ( 0.000 0.000 -0.000) 0.000 26.912 ( 0.000 0.000 -0.000) 0.000 27.099 ( 0.000 0.000 0.000) 0.000 27.159 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 -0.000) 0.000 27.599 ( 0.000 0.000 0.000) 0.000 28.319 ( 0.000 0.000 0.000) 0.000 28.375 ( 0.000 0.000 0.000) 0.000 28.847 ( -0.000 0.000 0.000) 0.000 28.853 ( 0.000 0.000 -0.000) 0.000 29.560 ( 0.000 0.000 0.000) 0.000 29.836 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 42.691 0.000) 42.691 0.989 ( 0.000 47.482 0.000) 47.482 1.501 ( 0.000 64.563 0.000) 64.563 2.022 ( 0.000 -0.537 0.000) 0.537 2.045 ( 0.000 11.525 0.000) 11.525 2.468 ( 0.000 11.802 0.000) 11.802 2.602 ( 0.000 19.351 0.000) 19.351 2.901 ( 0.000 -11.631 0.000) 11.631 3.166 ( 0.000 -0.576 0.000) 0.576 3.261 ( 0.000 -14.250 0.000) 14.250 3.452 ( 0.000 -3.049 0.000) 3.049 3.716 ( 0.000 6.691 0.000) 6.691 3.769 ( 0.000 0.456 0.000) 0.456 3.837 ( 0.000 -4.982 0.000) 4.982 4.233 ( 0.000 -7.814 0.000) 7.814 4.286 ( 0.000 -12.221 0.000) 12.221 4.322 ( 0.000 -9.711 0.000) 9.711 4.542 ( 0.000 -1.604 0.000) 1.604 4.791 ( 0.000 -1.863 0.000) 1.863 4.823 ( 0.000 -4.578 0.000) 4.578 5.035 ( 0.000 13.631 0.000) 13.631 5.314 ( 0.000 9.379 0.000) 9.379 5.402 ( 0.000 2.902 0.000) 2.902 5.613 ( 0.000 6.067 0.000) 6.067 5.829 ( 0.000 0.066 0.000) 0.066 5.985 ( 0.000 -4.768 0.000) 4.768 6.177 ( 0.000 -6.323 0.000) 6.323 6.189 ( 0.000 0.082 0.000) 0.082 6.473 ( 0.000 -12.819 0.000) 12.819 6.484 ( 0.000 -2.918 0.000) 2.918 6.564 ( 0.000 -0.145 0.000) 0.145 6.581 ( 0.000 -10.717 0.000) 10.717 6.682 ( 0.000 -0.266 0.000) 0.266 6.744 ( 0.000 1.385 0.000) 1.385 7.149 ( 0.000 8.217 0.000) 8.217 7.391 ( 0.000 -1.129 0.000) 1.129 7.586 ( 0.000 -5.299 0.000) 5.299 7.738 ( 0.000 13.438 0.000) 13.438 7.824 ( 0.000 2.232 0.000) 2.232 7.934 ( 0.000 -5.910 0.000) 5.910 8.062 ( 0.000 12.682 0.000) 12.682 8.229 ( 0.000 3.358 0.000) 3.358 8.332 ( 0.000 -13.148 0.000) 13.148 8.501 ( 0.000 -7.384 0.000) 7.384 8.999 ( 0.000 -1.797 0.000) 1.797 9.102 ( 0.000 6.916 0.000) 6.916 9.344 ( 0.000 3.876 0.000) 3.876 9.539 ( 0.000 3.070 0.000) 3.070 9.555 ( 0.000 -9.032 0.000) 9.032 9.695 ( 0.000 7.907 0.000) 7.907 10.108 ( 0.000 9.078 0.000) 9.078 10.175 ( 0.000 -13.133 0.000) 13.133 10.184 ( 0.000 1.491 0.000) 1.491 10.266 ( 0.000 -4.301 0.000) 4.301 10.395 ( 0.000 -8.239 0.000) 8.239 10.651 ( 0.000 -4.105 0.000) 4.105 10.665 ( 0.000 -5.834 0.000) 5.834 10.892 ( 0.000 -7.851 0.000) 7.851 10.926 ( 0.000 7.438 0.000) 7.438 11.304 ( 0.000 -4.285 0.000) 4.285 11.338 ( 0.000 -4.693 0.000) 4.693 11.391 ( 0.000 3.873 0.000) 3.873 11.583 ( 0.000 0.220 0.000) 0.220 11.821 ( 0.000 1.479 0.000) 1.479 11.863 ( 0.000 0.877 0.000) 0.877 12.016 ( 0.000 -0.919 0.000) 0.919 12.141 ( 0.000 -2.307 0.000) 2.307 12.153 ( 0.000 1.499 0.000) 1.499 12.354 ( 0.000 14.884 0.000) 14.884 12.427 ( 0.000 -2.110 0.000) 2.110 12.621 ( 0.000 -10.777 0.000) 10.777 12.677 ( 0.000 2.123 0.000) 2.123 12.786 ( 0.000 -2.190 0.000) 2.190 13.217 ( 0.000 -10.395 0.000) 10.395 13.257 ( 0.000 16.402 0.000) 16.402 13.436 ( 0.000 4.583 0.000) 4.583 13.501 ( 0.000 4.716 0.000) 4.716 13.850 ( 0.000 16.397 0.000) 16.397 14.019 ( 0.000 -9.661 0.000) 9.661 14.166 ( 0.000 9.117 0.000) 9.117 14.512 ( 0.000 -4.939 0.000) 4.939 15.095 ( 0.000 1.753 0.000) 1.753 15.189 ( 0.000 4.655 0.000) 4.655 15.209 ( 0.000 -3.345 0.000) 3.345 15.523 ( 0.000 6.744 0.000) 6.744 15.631 ( 0.000 -9.454 0.000) 9.454 15.680 ( 0.000 1.353 0.000) 1.353 15.744 ( 0.000 -1.235 0.000) 1.235 15.822 ( 0.000 -6.106 0.000) 6.106 16.189 ( 0.000 7.860 0.000) 7.860 16.377 ( 0.000 1.226 0.000) 1.226 16.607 ( 0.000 -33.024 0.000) 33.024 16.973 ( 0.000 -0.756 0.000) 0.756 16.985 ( 0.000 -0.564 0.000) 0.564 18.125 ( 0.000 23.429 0.000) 23.429 19.055 ( 0.000 -6.161 0.000) 6.161 19.964 ( 0.000 2.429 0.000) 2.429 20.053 ( 0.000 0.201 0.000) 0.201 20.203 ( 0.000 -4.622 0.000) 4.622 20.273 ( 0.000 -6.534 0.000) 6.534 20.534 ( 0.000 6.191 0.000) 6.191 20.560 ( 0.000 6.721 0.000) 6.721 20.618 ( 0.000 2.682 0.000) 2.682 20.800 ( 0.000 -1.125 0.000) 1.125 20.851 ( 0.000 0.131 0.000) 0.131 20.999 ( 0.000 -0.008 0.000) 0.008 21.303 ( 0.000 -10.153 0.000) 10.153 21.320 ( 0.000 -5.086 0.000) 5.086 21.539 ( 0.000 0.263 0.000) 0.263 21.630 ( 0.000 1.608 0.000) 1.608 21.670 ( 0.000 -1.114 0.000) 1.114 21.690 ( 0.000 0.681 0.000) 0.681 21.899 ( 0.000 -3.677 0.000) 3.677 21.919 ( 0.000 11.031 0.000) 11.031 22.017 ( 0.000 1.390 0.000) 1.390 22.385 ( 0.000 -0.214 0.000) 0.214 22.443 ( 0.000 1.047 0.000) 1.047 22.647 ( 0.000 2.161 0.000) 2.161 22.857 ( 0.000 -0.284 0.000) 0.284 22.921 ( 0.000 -1.803 0.000) 1.803 22.981 ( 0.000 1.612 0.000) 1.612 23.015 ( 0.000 0.236 0.000) 0.236 23.128 ( 0.000 4.008 0.000) 4.008 23.298 ( 0.000 -5.427 0.000) 5.427 23.315 ( 0.000 -1.228 0.000) 1.228 23.365 ( 0.000 -1.697 0.000) 1.697 24.275 ( 0.000 5.468 0.000) 5.468 24.512 ( 0.000 1.403 0.000) 1.403 24.560 ( 0.000 -1.703 0.000) 1.703 24.740 ( 0.000 -4.941 0.000) 4.941 25.027 ( 0.000 1.984 0.000) 1.984 25.041 ( 0.000 0.160 0.000) 0.160 25.146 ( 0.000 2.886 0.000) 2.886 25.390 ( 0.000 -3.076 0.000) 3.076 25.570 ( 0.000 1.501 0.000) 1.501 25.827 ( 0.000 4.057 0.000) 4.057 25.855 ( 0.000 6.692 0.000) 6.692 26.012 ( 0.000 0.981 0.000) 0.981 26.115 ( 0.000 1.839 0.000) 1.839 26.116 ( 0.000 -0.515 0.000) 0.515 26.456 ( 0.000 -6.280 0.000) 6.280 26.491 ( 0.000 2.570 0.000) 2.570 26.715 ( 0.000 -1.649 0.000) 1.649 26.737 ( 0.000 -5.266 0.000) 5.266 26.809 ( 0.000 -0.233 0.000) 0.233 26.895 ( 0.000 3.019 0.000) 3.019 26.915 ( 0.000 -0.871 0.000) 0.871 27.079 ( 0.000 2.606 0.000) 2.606 27.211 ( 0.000 -1.172 0.000) 1.172 27.434 ( 0.000 -14.808 0.000) 14.808 28.119 ( 0.000 9.563 0.000) 9.563 28.311 ( 0.000 -0.427 0.000) 0.427 28.393 ( 0.000 -1.399 0.000) 1.399 28.465 ( 0.000 -0.588 0.000) 0.588 29.735 ( 0.000 5.656 0.000) 5.656 30.227 ( 0.000 -5.624 0.000) 5.624 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 17.103 27.036 2.334) 32.076 1.339 ( 31.868 29.124 12.342) 44.902 2.009 ( 5.607 6.124 0.260) 8.307 2.209 ( 14.580 9.862 6.518) 18.771 2.319 ( 46.543 29.785 29.589) 62.681 2.487 ( -4.731 14.500 1.322) 15.310 2.572 ( 3.871 8.199 1.413) 9.176 2.850 ( -0.180 -5.569 2.711) 6.196 3.244 ( 5.780 -4.892 -4.834) 8.984 3.326 ( 6.317 -2.241 7.364) 9.958 3.486 ( 6.253 -4.780 0.844) 7.916 3.675 ( 1.246 11.898 -0.459) 11.972 3.794 ( 6.935 0.221 -6.616) 9.588 3.919 ( 7.549 -7.003 0.897) 10.336 4.224 ( 3.497 -13.551 -12.490) 18.758 4.369 ( -0.014 -5.549 8.166) 9.873 4.433 ( 5.776 -0.413 4.518) 7.345 4.509 ( 7.193 0.750 -8.978) 11.528 4.800 ( -1.125 9.822 6.813) 12.006 4.879 ( 7.080 -6.236 -0.353) 9.441 5.039 ( 4.918 5.485 -1.661) 7.552 5.339 ( -1.195 7.537 -3.437) 8.369 5.396 ( -0.129 4.007 5.965) 7.187 5.501 ( -5.337 3.442 -2.124) 6.696 5.894 ( -5.073 -3.612 4.904) 7.926 5.937 ( -1.897 -3.946 3.248) 5.452 6.210 ( 0.949 -5.300 2.765) 6.053 6.286 ( 1.482 0.286 -10.281) 10.391 6.415 ( -0.470 -5.581 -0.438) 5.618 6.448 ( -4.650 -6.082 -2.834) 8.164 6.478 ( 1.255 -1.140 -4.528) 4.835 6.702 ( 17.451 -6.754 -8.299) 20.471 6.786 ( 6.817 -1.317 4.016) 8.021 6.832 ( 17.235 3.095 -0.986) 17.539 7.215 ( 7.939 5.450 -1.940) 9.823 7.426 ( 5.993 -1.278 3.764) 7.191 7.603 ( -1.975 -4.660 4.240) 6.603 7.674 ( -2.773 11.165 -0.722) 11.527 7.878 ( 1.252 3.993 3.630) 5.540 7.940 ( -1.230 -2.556 1.586) 3.250 8.060 ( -1.468 7.393 7.827) 10.867 8.128 ( -5.759 3.533 -6.988) 9.720 8.366 ( -0.415 -8.103 4.222) 9.146 8.476 ( -0.467 -5.994 0.435) 6.027 8.843 ( -11.862 0.481 -5.558) 13.108 9.102 ( 0.064 -0.704 -9.122) 9.149 9.401 ( 0.724 4.356 -1.360) 4.620 9.478 ( 3.773 -6.280 -6.809) 10.002 9.685 ( 5.219 -0.143 3.775) 6.443 9.754 ( 4.768 0.868 1.505) 5.075 9.902 ( -1.657 5.775 -15.576) 16.694 10.053 ( -2.180 4.827 0.064) 5.297 10.171 ( 0.776 -12.361 -1.303) 12.454 10.350 ( 0.775 -3.242 -2.209) 3.999 10.565 ( 9.730 -5.234 4.751) 12.026 10.610 ( -0.355 -6.790 1.686) 7.005 10.721 ( -2.894 -6.468 9.018) 11.469 10.804 ( 2.116 -2.542 -3.944) 5.147 11.084 ( -2.592 1.534 1.690) 3.454 11.154 ( 0.773 3.058 -6.258) 7.008 11.334 ( -4.077 -1.940 -6.738) 8.111 11.379 ( -5.572 -0.737 5.592) 7.928 11.534 ( 3.026 9.211 -12.449) 15.779 11.764 ( -3.086 -1.053 7.467) 8.148 11.840 ( -7.226 -0.503 -1.909) 7.491 11.963 ( -2.225 1.053 1.776) 3.036 12.107 ( 5.135 -1.001 8.529) 10.005 12.293 ( -1.232 -9.484 4.332) 10.499 12.305 ( -0.219 3.658 -3.355) 4.968 12.589 ( 5.543 7.637 11.743) 15.065 12.672 ( 6.796 -2.068 5.079) 8.733 12.795 ( 7.719 -4.967 -5.473) 10.687 12.923 ( 3.867 -8.419 0.621) 9.286 13.127 ( -8.472 -2.211 6.002) 10.616 13.169 ( -1.564 12.914 -7.234) 14.884 13.463 ( 1.828 3.265 -1.520) 4.038 13.661 ( 8.870 0.970 5.184) 10.320 13.859 ( 0.993 12.404 -0.806) 12.470 14.058 ( 4.059 -9.430 1.470) 10.371 14.150 ( -0.810 11.016 -2.557) 11.338 14.413 ( -0.967 -0.393 -9.734) 9.789 14.976 ( -12.784 3.121 -10.660) 16.936 15.138 ( -8.104 -2.135 9.695) 12.815 15.194 ( -0.794 1.101 4.482) 4.683 15.533 ( -1.306 4.044 2.306) 4.835 15.580 ( -1.102 -2.982 0.203) 3.186 15.664 ( -2.421 0.756 -0.610) 2.608 15.799 ( -2.450 -5.287 1.029) 5.917 15.834 ( 5.909 -3.328 -0.423) 6.794 16.288 ( 8.804 2.830 1.700) 9.403 16.391 ( 0.453 -9.285 -4.002) 10.121 16.599 ( -0.060 -22.518 -0.365) 22.521 16.953 ( -4.803 -0.986 4.912) 6.940 16.978 ( -10.087 -1.000 16.804) 19.625 17.967 ( -11.634 23.715 -8.672) 27.802 18.899 ( -13.573 -6.774 -9.721) 18.017 19.993 ( -1.057 2.413 2.731) 3.795 20.086 ( 6.551 1.719 0.422) 6.786 20.218 ( -1.463 -3.038 4.004) 5.235 20.263 ( -1.566 -4.331 -0.361) 4.619 20.465 ( -4.759 5.546 -4.798) 8.742 20.563 ( 1.375 2.465 1.232) 3.080 20.614 ( 2.044 3.615 -3.339) 5.329 20.778 ( -2.946 -1.273 1.342) 3.479 20.841 ( -2.066 0.934 2.420) 3.316 20.990 ( 1.269 -1.022 -5.719) 5.946 21.130 ( -9.008 9.535 -9.509) 16.201 21.263 ( -3.085 -8.032 -2.218) 8.885 21.487 ( -4.729 -1.425 1.673) 5.215 21.623 ( -4.967 0.179 -3.920) 6.330 21.634 ( -1.484 1.388 1.859) 2.754 21.647 ( -1.403 2.323 -6.534) 7.074 21.823 ( -3.481 2.149 -2.367) 4.727 21.873 ( -2.320 7.140 0.064) 7.508 21.957 ( -4.082 2.917 -3.213) 5.957 22.152 ( -8.387 11.876 1.019) 14.575 22.303 ( -10.714 1.346 -0.619) 10.816 22.391 ( -5.604 1.773 -4.490) 7.397 22.653 ( -3.777 -5.288 -0.406) 6.511 22.767 ( -3.048 -2.102 6.043) 7.087 23.051 ( -0.003 3.586 6.195) 7.158 23.153 ( 10.800 0.290 4.018) 11.526 23.237 ( 4.288 -2.313 -3.320) 5.896 23.386 ( 4.113 -2.925 5.769) 7.665 23.541 ( 12.324 3.768 4.912) 13.791 24.100 ( 20.819 -13.239 -1.638) 24.726 24.364 ( 9.696 0.178 -1.454) 9.806 24.530 ( 1.375 -0.789 0.654) 1.715 24.596 ( 3.204 0.997 2.696) 4.305 24.933 ( 1.694 -5.483 1.728) 5.993 25.076 ( 3.388 -6.736 10.090) 12.596 25.094 ( 1.166 -4.344 10.029) 10.992 25.151 ( 2.864 1.576 -1.248) 3.499 25.438 ( 10.356 -8.503 -7.391) 15.302 25.571 ( 2.497 0.918 -3.054) 4.051 25.809 ( -1.757 4.300 0.097) 4.646 25.877 ( 2.357 5.814 1.039) 6.359 26.025 ( 1.231 0.081 0.705) 1.421 26.113 ( -0.460 1.803 1.956) 2.699 26.146 ( 1.263 -0.326 2.591) 2.901 26.364 ( -4.320 -0.234 -2.268) 4.885 26.531 ( -3.108 0.095 1.018) 3.272 26.583 ( -5.060 -1.140 3.039) 6.012 26.739 ( -2.452 0.550 -4.102) 4.810 26.789 ( 4.390 -0.815 -0.589) 4.503 26.907 ( 2.834 -1.186 -2.658) 4.062 27.027 ( 7.286 -0.278 -2.502) 7.709 27.119 ( -0.809 0.603 3.761) 3.894 27.233 ( 7.342 -0.630 -4.195) 8.479 27.408 ( -0.063 -12.989 -3.209) 13.380 28.101 ( 9.558 10.062 -14.204) 19.858 28.326 ( 1.372 -0.331 -0.045) 1.412 28.424 ( 2.960 -0.975 1.580) 3.494 28.708 ( 2.685 -14.011 21.357) 25.683 29.695 ( -3.607 5.636 -1.430) 6.842 30.069 ( -10.880 2.746 -2.060) 11.409 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 6.662 -1.418 -1.960) 7.087 1.909 ( 12.017 12.639 8.980) 19.616 2.044 ( 5.853 -3.688 -0.793) 6.963 2.366 ( 6.621 14.065 1.851) 15.655 2.543 ( 12.195 0.483 5.122) 13.236 2.669 ( 8.336 4.288 10.842) 14.333 3.036 ( 11.110 8.602 9.093) 16.736 3.289 ( 4.077 -4.806 -2.443) 6.760 3.462 ( 29.109 10.111 12.659) 33.314 3.549 ( 11.571 -1.543 8.160) 14.242 3.669 ( 12.824 -0.711 -0.878) 12.874 3.846 ( 12.203 3.040 -2.778) 12.879 3.878 ( 19.019 15.019 10.347) 26.351 4.093 ( 11.649 -7.356 1.846) 13.901 4.113 ( 0.913 -9.365 -12.750) 15.846 4.410 ( 7.050 2.705 -12.224) 14.368 4.488 ( -0.016 -1.375 8.991) 9.095 4.672 ( 4.909 1.374 3.764) 6.337 4.815 ( 5.117 13.049 -2.900) 14.313 5.015 ( 1.676 3.360 3.167) 4.912 5.172 ( 1.154 -1.882 -5.085) 5.543 5.259 ( 8.225 1.733 3.508) 9.108 5.446 ( -1.182 0.779 2.620) 2.978 5.490 ( -0.345 1.797 7.671) 7.886 5.754 ( -2.929 -8.725 -7.842) 12.091 5.981 ( -4.108 2.632 4.603) 6.707 6.125 ( 0.250 -3.729 -14.227) 14.709 6.177 ( -0.054 -0.358 -7.795) 7.803 6.250 ( -7.544 -2.991 -6.558) 10.434 6.430 ( -2.870 -0.146 6.748) 7.335 6.586 ( 4.788 -5.957 3.744) 8.511 6.935 ( 6.170 -5.649 5.617) 10.076 7.044 ( 20.474 -2.107 -0.888) 20.601 7.163 ( 16.648 5.997 -1.728) 17.780 7.245 ( -2.491 6.965 -2.830) 7.920 7.587 ( 0.142 5.180 -4.517) 6.874 7.611 ( 5.497 -0.835 0.835) 5.623 7.754 ( 12.403 -3.563 6.833) 14.602 7.809 ( 0.312 4.851 -16.740) 17.431 7.899 ( 1.560 -1.808 0.036) 2.388 8.126 ( 2.518 1.545 11.618) 11.987 8.237 ( 5.899 1.775 15.379) 16.567 8.344 ( -3.035 -1.486 5.468) 6.429 8.432 ( -11.350 -0.436 -14.222) 18.201 8.658 ( 7.533 -6.481 1.459) 10.044 8.863 ( -7.146 -5.201 -23.276) 24.897 9.302 ( -2.570 3.667 -2.574) 5.165 9.565 ( 7.833 0.490 -11.650) 14.047 9.619 ( -3.021 1.756 3.467) 4.923 9.886 ( 6.195 -12.150 8.170) 15.897 10.000 ( 9.322 4.526 -9.994) 14.397 10.103 ( 1.783 4.225 7.203) 8.539 10.220 ( 6.610 -15.195 -3.781) 16.997 10.290 ( -2.108 -5.515 4.657) 7.520 10.631 ( -2.032 -2.261 4.450) 5.389 10.666 ( -1.547 -2.043 -5.036) 5.651 10.745 ( -0.843 -8.363 3.041) 8.939 10.760 ( -3.776 0.224 -7.536) 8.432 11.023 ( 5.317 0.734 6.993) 8.815 11.116 ( -5.881 4.842 -6.171) 9.804 11.257 ( 5.609 4.941 1.005) 7.542 11.414 ( 0.486 2.110 1.029) 2.397 11.530 ( 5.198 -3.201 -3.002) 6.802 11.731 ( -5.200 -3.126 2.810) 6.686 11.804 ( 0.755 -1.381 1.616) 2.256 11.982 ( -1.297 3.928 9.466) 10.330 12.107 ( -5.848 -3.185 -3.180) 7.379 12.262 ( -2.507 4.660 -1.087) 5.402 12.344 ( -0.621 -1.547 6.709) 6.912 12.673 ( -8.875 8.837 5.293) 13.597 12.817 ( 9.737 -1.247 -4.379) 10.749 12.928 ( 13.244 -5.168 2.852) 14.500 12.995 ( 2.770 -4.827 -0.085) 5.566 13.110 ( 1.359 -0.157 8.702) 8.809 13.188 ( 6.706 8.893 2.405) 11.395 13.482 ( 5.546 8.092 -4.055) 10.615 13.744 ( -1.274 -1.617 -0.346) 2.088 13.832 ( -1.281 3.642 -6.667) 7.704 14.062 ( -1.531 11.236 -5.447) 12.580 14.186 ( 4.370 -3.019 2.984) 6.092 14.335 ( 0.823 -0.143 -8.658) 8.698 14.648 ( -9.148 5.387 -12.829) 16.652 15.068 ( -11.505 -1.108 12.569) 17.075 15.242 ( -2.631 0.796 7.257) 7.760 15.527 ( -3.365 2.882 5.659) 7.187 15.587 ( -0.912 -4.729 1.282) 4.984 15.620 ( 2.473 1.748 -4.282) 5.245 15.758 ( -5.018 -6.830 2.598) 8.864 15.881 ( 1.093 -2.116 -2.583) 3.514 16.295 ( -4.972 -25.432 -4.503) 26.302 16.465 ( 7.240 0.899 0.168) 7.298 16.582 ( 1.119 -6.212 -3.506) 7.221 16.916 ( -6.589 -0.593 8.065) 10.431 16.985 ( -14.491 -1.728 28.829) 32.312 17.611 ( -17.355 21.710 -12.486) 30.471 18.424 ( -25.096 -5.381 -18.350) 31.552 19.990 ( -1.663 3.048 1.972) 3.993 20.142 ( -8.517 1.844 1.769) 8.892 20.190 ( 1.606 -1.556 -0.452) 2.281 20.287 ( 4.088 0.250 -0.709) 4.157 20.382 ( -1.476 1.971 -2.058) 3.209 20.518 ( -4.690 0.022 -1.872) 5.050 20.679 ( 4.448 -1.746 -2.442) 5.367 20.767 ( 0.875 1.518 3.551) 3.959 20.834 ( -2.171 1.963 1.283) 3.196 20.934 ( 1.132 -0.957 -5.191) 5.399 21.001 ( -0.161 5.155 -2.620) 5.785 21.187 ( -3.322 -2.859 -0.001) 4.383 21.410 ( -6.107 2.648 -1.169) 6.758 21.465 ( -4.776 -0.542 -4.432) 6.538 21.544 ( -4.834 -1.052 -3.683) 6.167 21.608 ( -3.393 2.585 0.702) 4.323 21.793 ( -2.021 2.779 1.275) 3.665 21.870 ( 0.002 0.335 1.316) 1.358 21.896 ( 0.761 4.897 -1.564) 5.197 22.058 ( -6.716 2.017 1.362) 7.143 22.163 ( -5.376 1.957 1.942) 6.042 22.222 ( -7.611 2.200 -3.321) 8.591 22.584 ( -5.127 -5.664 2.022) 7.903 22.741 ( -6.027 -9.776 -0.486) 11.495 23.112 ( 0.858 3.093 6.320) 7.089 23.328 ( 7.020 -3.328 1.809) 7.976 23.384 ( 10.468 2.659 -0.122) 10.801 23.483 ( 2.863 0.842 0.476) 3.022 23.827 ( 16.890 6.565 2.901) 18.351 24.307 ( 12.367 -3.962 -4.094) 13.616 24.491 ( 7.125 0.280 -2.282) 7.486 24.555 ( 1.828 -1.454 -1.879) 2.997 24.724 ( 5.741 2.781 7.079) 9.529 24.919 ( 2.219 1.073 -4.709) 5.315 25.100 ( -0.083 0.772 -1.240) 1.463 25.152 ( 0.393 0.044 0.493) 0.632 25.234 ( -2.248 -4.017 8.072) 9.292 25.527 ( 5.749 -5.086 -3.330) 8.367 25.610 ( 4.813 -2.190 -3.687) 6.446 25.777 ( -2.138 5.220 0.114) 5.642 25.953 ( 4.481 1.762 1.230) 4.970 26.071 ( 2.774 -0.998 1.850) 3.481 26.145 ( 1.579 0.960 2.259) 2.918 26.200 ( 1.214 0.675 4.165) 4.390 26.304 ( -1.480 0.235 0.416) 1.555 26.457 ( -3.689 0.616 3.507) 5.127 26.616 ( 0.101 -3.104 3.444) 4.637 26.696 ( 1.973 -1.296 -3.528) 4.245 26.841 ( 2.465 -0.867 -2.370) 3.528 26.919 ( 1.112 -3.768 -2.295) 4.550 27.033 ( -1.910 -0.753 -3.525) 4.079 27.131 ( 0.594 0.885 1.253) 1.645 27.328 ( 3.698 -4.774 -4.851) 7.746 27.426 ( 8.858 -5.402 -3.414) 10.923 28.167 ( 10.705 6.443 -9.273) 15.560 28.351 ( 2.997 -0.358 -2.628) 4.002 28.523 ( 3.915 -0.007 6.504) 7.591 28.850 ( -3.830 -9.949 12.645) 16.539 29.609 ( -3.787 5.428 -1.745) 6.844 29.913 ( -8.170 1.338 3.014) 8.810 ======================= Grid point 14 (10/78) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -5.751 -7.911 -5.443) 11.193 1.928 ( -1.158 4.714 -0.671) 4.901 2.171 ( 1.825 -4.509 1.716) 5.158 2.638 ( 14.608 -1.242 5.088) 15.519 2.829 ( 12.304 -2.679 7.967) 14.900 3.017 ( 13.397 1.251 8.692) 16.018 3.270 ( -0.789 -2.765 -0.716) 2.963 3.331 ( 11.141 14.076 8.875) 20.026 3.684 ( 6.262 2.756 1.778) 7.069 3.767 ( 9.235 0.132 -1.840) 9.417 3.774 ( 2.490 1.810 -4.889) 5.778 3.939 ( 7.563 5.788 0.017) 9.524 4.097 ( 9.155 -6.131 -7.984) 13.607 4.278 ( 9.220 0.235 4.424) 10.229 4.348 ( 7.446 5.671 -6.514) 11.403 4.462 ( 6.830 3.119 -3.002) 8.087 4.546 ( -1.650 -0.181 6.736) 6.937 4.696 ( 5.351 8.567 -3.856) 10.812 5.005 ( -3.292 7.473 3.191) 8.767 5.058 ( -3.296 -2.555 -3.770) 5.621 5.175 ( 20.856 0.362 6.342) 21.802 5.371 ( -3.946 -4.035 -1.957) 5.973 5.445 ( 0.239 3.881 3.341) 5.126 5.639 ( 9.214 -3.009 6.643) 11.751 5.714 ( 2.332 -4.181 -5.578) 7.351 5.911 ( -0.133 -1.919 -4.911) 5.274 5.988 ( -5.357 -7.431 -0.082) 9.161 6.065 ( -3.689 -1.972 -9.630) 10.499 6.231 ( 11.673 7.647 -4.756) 14.743 6.443 ( -1.377 4.212 1.740) 4.761 6.663 ( -3.702 -1.228 5.629) 6.848 6.906 ( -7.320 4.679 0.395) 8.696 7.173 ( -0.278 -1.584 5.058) 5.307 7.276 ( -0.201 -1.355 -0.945) 1.664 7.338 ( 1.945 3.539 4.528) 6.067 7.382 ( -7.945 0.789 -19.578) 21.143 7.620 ( 4.483 1.243 -1.939) 5.040 7.750 ( -4.287 3.819 -17.296) 18.224 7.911 ( -11.883 -8.310 -5.791) 15.614 8.039 ( 16.922 -4.745 3.269) 17.876 8.132 ( 10.529 0.197 5.693) 11.971 8.331 ( 4.110 -0.201 -12.234) 12.907 8.413 ( 8.590 6.801 17.978) 21.053 8.616 ( 13.898 -6.565 10.217) 18.457 8.750 ( 15.186 -4.174 0.609) 15.761 8.917 ( 18.782 -6.342 1.358) 19.870 9.294 ( 2.715 9.311 1.225) 9.776 9.566 ( 5.909 -1.633 -7.819) 9.936 9.655 ( 2.222 2.640 -0.903) 3.567 9.868 ( -8.777 -3.514 -6.325) 11.375 10.062 ( 3.154 -0.763 -0.730) 3.326 10.154 ( -4.194 -0.458 3.303) 5.358 10.167 ( -0.941 -0.244 -2.728) 2.896 10.429 ( -4.307 -1.117 9.374) 10.377 10.556 ( -5.188 -3.305 -1.295) 6.287 10.598 ( 4.664 -3.062 -4.517) 7.178 10.708 ( 1.492 -0.211 3.082) 3.431 10.839 ( 6.217 -7.459 3.749) 10.409 11.040 ( 6.021 1.613 -6.501) 9.006 11.178 ( 4.688 -0.793 3.385) 5.836 11.374 ( 0.792 -4.588 7.459) 8.793 11.450 ( 6.179 -3.644 -4.055) 8.241 11.541 ( -2.643 -5.620 2.358) 6.643 11.724 ( -1.760 -4.346 5.085) 6.917 11.821 ( 0.363 0.191 -0.226) 0.468 11.939 ( -7.972 -7.417 -3.587) 11.464 12.111 ( 5.466 7.223 6.761) 11.303 12.215 ( -2.401 9.413 0.206) 9.717 12.333 ( -5.939 7.749 1.207) 9.838 12.572 ( -1.979 12.046 -1.091) 12.256 12.957 ( 7.413 -3.601 0.733) 8.274 13.008 ( 0.469 -4.434 1.073) 4.586 13.160 ( 9.070 -3.463 2.474) 10.019 13.319 ( 11.250 2.600 6.229) 13.120 13.384 ( 12.400 2.521 6.455) 14.205 13.566 ( 4.747 8.918 -6.689) 12.117 13.642 ( -3.172 0.263 -3.911) 5.043 13.737 ( -0.721 -3.085 -4.936) 5.865 14.072 ( 5.200 10.435 2.468) 11.917 14.212 ( -1.922 -2.257 -4.651) 5.516 14.272 ( 1.150 1.809 -2.459) 3.262 14.459 ( 1.016 6.238 -12.604) 14.100 15.001 ( -8.926 -1.451 9.386) 13.033 15.185 ( -9.843 2.600 2.327) 10.443 15.541 ( -6.275 0.551 12.579) 14.068 15.566 ( -2.170 -3.675 -1.310) 4.464 15.630 ( -8.792 -4.152 -3.395) 10.298 15.661 ( 2.375 -2.897 -2.422) 4.461 15.884 ( 0.605 -1.041 5.854) 5.977 16.119 ( -10.026 -29.302 -5.143) 31.394 16.491 ( 0.528 1.470 -2.118) 2.632 16.634 ( 4.024 -2.632 0.121) 4.810 16.898 ( -4.787 2.081 8.698) 10.144 17.033 ( -10.786 -1.185 23.382) 25.777 17.188 ( -17.305 17.045 -11.307) 26.793 17.763 ( -28.223 -3.520 -21.239) 35.497 19.958 ( -3.734 2.888 -0.422) 4.739 20.030 ( -5.629 2.735 0.592) 6.287 20.141 ( -3.921 -2.654 -2.291) 5.260 20.278 ( -3.117 4.083 -4.514) 6.839 20.352 ( -1.732 -3.483 2.042) 4.393 20.446 ( -0.870 1.489 -0.806) 1.904 20.627 ( -5.482 -4.064 -4.270) 8.050 20.756 ( 0.528 -4.453 -7.213) 8.493 20.832 ( -0.555 4.534 0.528) 4.598 20.998 ( 2.417 6.857 -1.570) 7.438 21.036 ( 3.826 2.216 5.349) 6.940 21.164 ( -1.269 -0.981 2.916) 3.328 21.296 ( -2.876 3.093 -1.782) 4.584 21.424 ( 1.158 -1.715 3.035) 3.673 21.453 ( -0.865 -1.880 -0.758) 2.204 21.566 ( -2.044 0.444 0.681) 2.200 21.786 ( -0.396 4.891 2.342) 5.437 21.868 ( -1.275 0.170 0.408) 1.349 21.911 ( 1.800 2.199 -1.574) 3.248 21.974 ( -6.123 0.212 2.923) 6.788 22.117 ( -3.505 0.327 3.240) 4.785 22.136 ( -0.497 0.843 0.118) 0.985 22.503 ( -5.958 -4.764 -0.121) 7.629 22.574 ( -8.553 -7.455 -5.417) 12.572 23.201 ( 2.143 3.358 5.739) 6.986 23.389 ( 2.261 -0.628 -5.192) 5.697 23.430 ( -2.194 3.054 -2.986) 4.802 23.596 ( 8.320 -1.619 1.855) 8.677 24.135 ( 15.707 4.302 1.411) 16.347 24.459 ( 8.101 -3.266 -1.570) 8.874 24.537 ( 1.083 0.414 -4.808) 4.946 24.573 ( 3.812 -0.052 -1.227) 4.005 24.879 ( 5.362 0.493 2.379) 5.887 24.964 ( 5.003 2.765 1.721) 5.970 25.079 ( -0.436 0.566 -2.106) 2.224 25.140 ( -0.352 2.191 -0.844) 2.374 25.252 ( -0.861 -1.041 2.348) 2.709 25.568 ( 0.602 -3.184 -1.204) 3.456 25.679 ( 7.642 1.440 -2.392) 8.136 25.743 ( -1.939 5.986 0.314) 6.300 26.041 ( 4.708 -0.136 0.833) 4.783 26.143 ( 2.967 0.641 1.990) 3.629 26.190 ( 2.298 1.354 -0.277) 2.682 26.275 ( 1.895 1.310 6.256) 6.666 26.323 ( 1.905 -0.108 2.230) 2.935 26.476 ( 0.361 0.800 4.893) 4.971 26.619 ( -3.078 -3.429 0.573) 4.643 26.674 ( -0.324 -2.248 -2.857) 3.650 26.847 ( -0.093 -5.351 -2.479) 5.898 26.907 ( -0.524 -4.008 -0.836) 4.128 26.977 ( -0.078 -0.109 -0.990) 0.999 27.122 ( -4.159 -2.609 3.461) 6.007 27.333 ( 5.984 -0.610 -9.405) 11.164 27.541 ( 6.763 -3.822 -3.875) 8.681 28.258 ( 7.988 3.386 -5.743) 10.404 28.371 ( 3.065 -0.169 -3.964) 5.014 28.666 ( 5.047 0.465 6.170) 7.985 28.868 ( -5.107 -4.319 8.486) 10.805 29.558 ( -0.786 4.461 -0.380) 4.546 29.841 ( -5.454 -1.431 5.333) 7.761 ======================= Grid point 15 (11/78) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -1.468 -6.871 -1.812) 7.256 1.951 ( 2.299 6.274 3.015) 7.331 2.143 ( -3.399 1.956 -3.136) 5.021 2.851 ( 2.164 -1.996 0.793) 3.049 2.977 ( -0.244 -10.891 -3.627) 11.481 3.068 ( 6.587 -5.967 0.235) 8.891 3.413 ( 4.922 3.293 6.706) 8.947 3.566 ( 2.361 5.383 4.290) 7.278 3.754 ( 0.707 -2.642 3.070) 4.111 3.812 ( 6.369 7.706 2.829) 10.390 3.860 ( 4.817 1.921 -4.259) 6.711 4.085 ( 10.103 2.943 -0.049) 10.523 4.157 ( 4.916 1.403 -6.453) 8.232 4.397 ( 8.880 5.000 -2.146) 10.415 4.432 ( 0.948 1.985 1.709) 2.785 4.491 ( 1.434 -1.381 3.512) 4.037 4.572 ( 0.749 1.635 0.426) 1.848 4.840 ( 11.419 3.881 -4.624) 12.917 4.941 ( -6.379 -1.170 -0.607) 6.514 5.000 ( -1.644 7.541 3.536) 8.490 5.239 ( -4.101 -1.110 -0.837) 4.330 5.300 ( 2.255 0.218 -3.680) 4.322 5.561 ( -5.534 -7.259 -1.147) 9.199 5.617 ( 0.747 2.199 -9.361) 9.644 5.713 ( 0.921 -2.318 -0.042) 2.494 5.863 ( -3.700 -4.001 0.471) 5.470 5.933 ( -2.572 -2.958 -6.830) 7.875 6.043 ( 6.341 -8.955 1.409) 11.063 6.387 ( 1.875 7.314 0.277) 7.556 6.460 ( 4.237 8.664 1.730) 9.799 6.579 ( -1.676 9.291 -3.285) 9.996 6.909 ( -11.207 -1.050 -4.026) 11.954 6.935 ( -3.420 1.979 -3.814) 5.491 7.138 ( -4.148 -3.256 -6.479) 8.354 7.287 ( -4.630 -4.828 7.129) 9.776 7.433 ( 4.516 -2.592 2.350) 5.713 7.521 ( -2.694 3.975 -4.048) 6.281 7.676 ( -4.639 -2.914 -4.605) 7.157 7.745 ( 3.078 -2.539 2.210) 4.561 8.103 ( -3.208 -11.563 -0.346) 12.005 8.407 ( 12.415 -0.362 5.246) 13.482 8.490 ( 13.304 -1.730 -4.836) 14.261 8.743 ( 2.821 0.653 15.187) 15.461 8.893 ( 17.533 -1.632 -0.329) 17.612 9.024 ( 11.246 -5.212 5.928) 13.740 9.310 ( 22.636 -1.097 -0.591) 22.671 9.417 ( 11.756 12.279 -5.014) 17.723 9.603 ( -9.424 2.768 3.049) 10.285 9.632 ( 8.766 0.249 -4.547) 9.879 9.747 ( -2.116 6.921 4.264) 8.400 9.962 ( -10.347 0.437 0.806) 10.388 10.029 ( 2.163 6.469 -9.836) 11.970 10.198 ( -0.974 4.044 -4.646) 6.237 10.239 ( -21.569 7.867 5.991) 23.727 10.551 ( -1.251 -2.858 7.642) 8.255 10.726 ( 11.804 -6.988 0.203) 13.719 10.768 ( 1.693 -3.925 0.799) 4.349 10.957 ( 5.305 -0.765 2.240) 5.809 11.152 ( 5.409 -5.415 -3.223) 8.305 11.210 ( -0.286 -4.611 -7.921) 9.170 11.427 ( 1.623 -15.698 1.536) 15.856 11.521 ( 4.018 -7.506 10.005) 13.137 11.617 ( 0.653 -5.296 8.646) 10.160 11.690 ( -4.558 -0.263 0.548) 4.599 11.777 ( -3.777 -7.648 -3.617) 9.265 11.847 ( -0.510 -5.223 1.514) 5.462 12.130 ( -4.789 5.195 -4.583) 8.422 12.171 ( -2.929 4.587 -0.160) 5.445 12.330 ( 5.416 17.687 1.706) 18.576 12.581 ( 2.491 17.835 -0.470) 18.014 12.967 ( -2.167 -3.935 -1.655) 4.787 13.130 ( 5.028 -2.154 2.396) 5.972 13.184 ( -3.995 5.126 0.549) 6.522 13.469 ( 3.761 -1.232 -5.060) 6.424 13.622 ( 11.777 -0.244 -4.299) 12.539 13.648 ( 4.008 -1.026 1.701) 4.473 13.675 ( 7.970 0.361 4.808) 9.315 13.835 ( 16.361 0.211 3.487) 16.730 14.097 ( -2.993 -3.803 -1.228) 4.992 14.106 ( -4.607 -1.272 -0.667) 4.825 14.327 ( 6.467 4.278 -7.740) 10.955 14.536 ( 11.406 10.313 5.580) 16.358 14.923 ( -7.412 -3.298 2.707) 8.552 15.032 ( -4.103 5.847 -2.132) 7.455 15.293 ( -22.755 -1.414 0.198) 22.799 15.425 ( -9.477 -8.037 -0.668) 12.444 15.647 ( -0.117 -7.544 -8.767) 11.567 15.655 ( -3.499 -0.830 15.343) 15.759 15.863 ( -4.102 -8.070 -11.326) 14.499 16.044 ( 1.542 -4.053 12.540) 13.269 16.502 ( 1.304 1.930 0.590) 2.403 16.665 ( -1.057 -5.552 0.986) 5.737 16.825 ( -9.292 6.123 -6.511) 12.893 16.943 ( -1.642 6.883 4.273) 8.266 17.018 ( -12.591 -2.400 3.274) 13.229 17.186 ( -14.246 0.327 -8.973) 16.840 19.866 ( -4.398 2.392 -1.979) 5.383 19.962 ( -2.517 2.183 -0.328) 3.348 20.058 ( -3.340 -3.714 -1.461) 5.204 20.171 ( -4.645 -0.472 -1.266) 4.837 20.358 ( 1.306 0.284 0.250) 1.359 20.452 ( 0.184 -0.359 0.406) 0.572 20.507 ( -3.457 -0.657 -2.045) 4.070 20.673 ( -2.017 -3.648 -5.823) 7.161 20.806 ( -1.096 3.386 -1.778) 3.979 20.927 ( -4.051 8.644 -1.518) 9.666 21.156 ( 3.953 -1.231 0.701) 4.199 21.182 ( -2.304 3.268 3.839) 5.544 21.279 ( 1.211 -0.311 0.557) 1.369 21.470 ( 2.140 -2.262 0.659) 3.182 21.564 ( 5.418 -6.472 3.941) 9.315 21.575 ( 3.777 2.440 1.698) 4.806 21.825 ( -0.402 3.021 1.747) 3.512 21.851 ( 0.046 4.687 2.313) 5.227 21.875 ( -3.362 1.335 0.775) 3.700 21.963 ( 0.619 -0.015 1.461) 1.586 22.089 ( -3.922 -1.347 5.425) 6.828 22.159 ( 1.550 -3.565 -0.737) 3.956 22.355 ( -6.247 -0.918 -6.350) 8.955 22.423 ( -4.713 -2.065 -1.983) 5.514 23.276 ( 1.661 2.816 2.241) 3.963 23.339 ( -0.192 0.623 -6.434) 6.467 23.349 ( -3.405 3.320 -1.546) 5.001 23.724 ( 4.782 -3.171 0.869) 5.803 24.352 ( 8.204 1.641 0.202) 8.369 24.489 ( -0.200 1.533 -1.406) 2.090 24.559 ( 3.579 -2.258 -1.764) 4.585 24.616 ( 2.794 -1.329 -1.102) 3.285 24.953 ( 4.073 0.148 -2.043) 4.559 25.034 ( -0.062 -0.671 0.578) 0.888 25.052 ( -0.619 1.503 -0.380) 1.669 25.171 ( 0.449 2.524 5.890) 6.424 25.262 ( 2.698 1.973 -2.757) 4.332 25.549 ( -0.971 -0.372 -0.763) 1.289 25.719 ( -0.796 5.871 -0.255) 5.931 25.781 ( 4.731 1.066 -0.209) 4.855 26.117 ( 3.112 0.079 0.633) 3.177 26.195 ( 1.550 1.643 0.768) 2.385 26.223 ( 1.982 3.124 -0.265) 3.709 26.369 ( 1.859 -1.295 1.954) 2.992 26.388 ( 3.328 1.162 3.540) 4.995 26.506 ( -0.492 1.432 -2.323) 2.773 26.567 ( -2.579 -3.756 4.538) 6.430 26.658 ( -0.638 -1.687 0.473) 1.865 26.807 ( -1.123 -3.077 -1.228) 3.498 26.881 ( -0.698 -1.880 -2.743) 3.398 26.989 ( -0.150 -7.267 1.853) 7.501 27.105 ( -1.776 -3.377 4.630) 5.999 27.333 ( 3.885 1.641 -8.181) 9.204 27.570 ( 1.724 -3.801 -4.002) 5.783 28.319 ( 3.968 2.090 -2.604) 5.186 28.379 ( 1.860 0.204 -2.964) 3.505 28.789 ( 4.137 0.093 2.412) 4.790 28.859 ( -3.675 -1.347 5.542) 6.784 29.569 ( 1.393 3.260 0.507) 3.581 29.817 ( -2.935 -2.330 3.969) 5.458 ======================= Grid point 16 (12/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -6.073 0.000) 6.073 2.027 ( 0.000 -5.675 0.000) 5.675 2.053 ( 0.000 18.585 -0.000) 18.585 2.787 ( 0.000 4.932 0.000) 4.932 3.028 ( 0.000 -14.963 0.000) 14.963 3.128 ( 0.000 -5.931 0.000) 5.931 3.454 ( 0.000 -0.581 0.000) 0.581 3.591 ( 0.000 -2.680 0.000) 2.680 3.761 ( -0.000 3.806 -0.000) 3.806 3.858 ( 0.000 2.253 -0.000) 2.253 3.943 ( 0.000 7.163 0.000) 7.163 4.133 ( 0.000 1.654 0.000) 1.654 4.272 ( 0.000 0.672 0.000) 0.672 4.365 ( 0.000 2.969 0.000) 2.969 4.487 ( 0.000 0.089 0.000) 0.089 4.558 ( 0.000 1.590 0.000) 1.590 4.636 ( 0.000 1.396 0.000) 1.396 4.743 ( -0.000 -3.747 0.000) 3.747 4.995 ( 0.000 10.124 -0.000) 10.124 5.006 ( 0.000 3.126 0.000) 3.126 5.217 ( 0.000 0.845 0.000) 0.845 5.373 ( -0.000 -10.891 -0.000) 10.891 5.449 ( 0.000 19.887 -0.000) 19.887 5.461 ( -0.000 -8.265 0.000) 8.265 5.779 ( 0.000 -13.260 0.000) 13.260 5.801 ( -0.000 0.873 0.000) 0.873 5.871 ( 0.000 -3.477 -0.000) 3.477 6.119 ( 0.000 -10.323 0.000) 10.323 6.398 ( 0.000 11.241 0.000) 11.241 6.498 ( 0.000 6.522 -0.000) 6.522 6.547 ( 0.000 6.823 0.000) 6.823 6.716 ( 0.000 4.798 0.000) 4.798 6.924 ( 0.000 -3.148 0.000) 3.148 7.067 ( 0.000 1.893 0.000) 1.893 7.284 ( 0.000 -12.425 0.000) 12.425 7.503 ( 0.000 -3.044 -0.000) 3.044 7.516 ( 0.000 -1.173 0.000) 1.173 7.606 ( -0.000 5.719 0.000) 5.719 7.795 ( 0.000 -4.411 0.000) 4.411 8.071 ( 0.000 -14.197 0.000) 14.197 8.507 ( 0.000 -2.844 0.000) 2.844 8.629 ( 0.000 3.080 -0.000) 3.080 8.764 ( 0.000 -10.379 0.000) 10.379 9.142 ( 0.000 -8.904 0.000) 8.904 9.156 ( -0.000 3.732 -0.000) 3.732 9.472 ( 0.000 7.721 -0.000) 7.721 9.517 ( -0.000 14.641 0.000) 14.641 9.582 ( 0.000 3.418 0.000) 3.418 9.687 ( 0.000 4.216 0.000) 4.216 9.825 ( -0.000 3.320 -0.000) 3.320 9.843 ( 0.000 2.910 -0.000) 2.910 9.981 ( 0.000 8.123 -0.000) 8.123 10.002 ( 0.000 5.501 0.000) 5.501 10.156 ( 0.000 10.974 0.000) 10.974 10.575 ( 0.000 -6.791 0.000) 6.791 10.765 ( 0.000 -2.876 0.000) 2.876 10.951 ( 0.000 -4.720 0.000) 4.720 10.996 ( -0.000 -1.274 -0.000) 1.274 11.076 ( 0.000 0.747 0.000) 0.747 11.199 ( 0.000 -8.318 0.000) 8.318 11.450 ( 0.000 -21.348 0.000) 21.348 11.533 ( 0.000 -3.925 0.000) 3.925 11.663 ( 0.000 0.402 0.000) 0.402 11.712 ( 0.000 -11.572 -0.000) 11.572 11.770 ( 0.000 -10.657 0.000) 10.657 11.845 ( 0.000 -2.944 -0.000) 2.944 12.067 ( 0.000 3.851 -0.000) 3.851 12.111 ( 0.000 3.289 0.000) 3.289 12.394 ( 0.000 17.921 0.000) 17.921 12.610 ( 0.000 20.293 0.000) 20.293 12.924 ( 0.000 -0.695 0.000) 0.695 13.087 ( 0.000 7.321 0.000) 7.321 13.247 ( 0.000 -3.488 0.000) 3.488 13.485 ( 0.000 -1.593 0.000) 1.593 13.651 ( 0.000 -3.233 0.000) 3.233 13.681 ( 0.000 -1.202 -0.000) 1.202 13.822 ( 0.000 1.344 -0.000) 1.344 14.038 ( 0.000 -3.395 0.000) 3.395 14.068 ( 0.000 -2.609 -0.000) 2.609 14.098 ( 0.000 -3.226 0.000) 3.226 14.401 ( 0.000 1.833 0.000) 1.833 14.583 ( 0.000 10.176 -0.000) 10.176 14.905 ( 0.000 -6.010 -0.000) 6.010 15.021 ( 0.000 2.840 0.000) 2.840 15.080 ( -0.000 6.464 0.000) 6.464 15.321 ( 0.000 -10.854 0.000) 10.854 15.473 ( 0.000 -10.816 0.000) 10.816 15.743 ( -0.000 -2.043 0.000) 2.043 15.771 ( 0.000 6.407 -0.000) 6.407 16.144 ( 0.000 -2.073 0.000) 2.073 16.524 ( 0.000 2.018 0.000) 2.018 16.631 ( 0.000 -5.285 -0.000) 5.285 16.728 ( 0.000 -0.531 0.000) 0.531 16.814 ( 0.000 -5.258 0.000) 5.258 16.960 ( 0.000 6.817 -0.000) 6.817 17.101 ( 0.000 3.765 0.000) 3.765 19.814 ( 0.000 2.122 0.000) 2.122 19.941 ( 0.000 1.450 0.000) 1.450 20.016 ( 0.000 -3.447 0.000) 3.447 20.123 ( 0.000 -2.799 0.000) 2.799 20.384 ( 0.000 0.465 0.000) 0.465 20.430 ( 0.000 -0.802 0.000) 0.802 20.490 ( 0.000 1.234 0.000) 1.234 20.619 ( 0.000 -2.570 0.000) 2.570 20.784 ( 0.000 3.397 0.000) 3.397 20.884 ( 0.000 9.513 0.000) 9.513 21.172 ( -0.000 6.711 0.000) 6.711 21.193 ( 0.000 -7.095 -0.000) 7.095 21.298 ( 0.000 -0.558 -0.000) 0.558 21.488 ( 0.000 -3.266 0.000) 3.266 21.635 ( 0.000 1.906 -0.000) 1.906 21.653 ( 0.000 -7.672 0.000) 7.672 21.798 ( 0.000 4.301 0.000) 4.301 21.837 ( 0.000 -0.099 0.000) 0.099 21.904 ( 0.000 3.305 0.000) 3.305 21.971 ( 0.000 0.104 0.000) 0.104 22.120 ( 0.000 -2.136 -0.000) 2.136 22.140 ( 0.000 0.700 0.000) 0.700 22.254 ( 0.000 0.167 -0.000) 0.167 22.371 ( 0.000 -0.468 0.000) 0.468 23.285 ( 0.000 1.110 0.000) 1.110 23.301 ( 0.000 0.197 0.000) 0.197 23.323 ( 0.000 5.182 0.000) 5.182 23.769 ( 0.000 -3.447 0.000) 3.447 24.410 ( 0.000 0.165 0.000) 0.165 24.493 ( 0.000 2.984 -0.000) 2.984 24.577 ( 0.000 -2.668 0.000) 2.668 24.639 ( 0.000 -1.389 0.000) 1.389 24.983 ( 0.000 0.011 0.000) 0.011 25.020 ( -0.000 -1.010 0.000) 1.010 25.049 ( 0.000 2.163 0.000) 2.163 25.203 ( 0.000 -1.366 0.000) 1.366 25.283 ( 0.000 4.961 -0.000) 4.961 25.534 ( 0.000 0.755 0.000) 0.755 25.711 ( 0.000 5.789 0.000) 5.789 25.821 ( 0.000 0.820 0.000) 0.820 26.148 ( 0.000 0.355 0.000) 0.355 26.212 ( 0.000 2.017 0.000) 2.017 26.241 ( 0.000 4.038 0.000) 4.038 26.378 ( 0.000 -4.482 0.000) 4.482 26.468 ( 0.000 4.668 0.000) 4.668 26.468 ( -0.000 0.399 -0.000) 0.399 26.570 ( 0.000 -1.783 0.000) 1.783 26.659 ( 0.000 -5.431 0.000) 5.431 26.794 ( 0.000 3.919 0.000) 3.919 26.851 ( 0.000 -5.765 -0.000) 5.765 27.000 ( 0.000 -8.632 0.000) 8.632 27.123 ( 0.000 -4.000 0.000) 4.000 27.321 ( 0.000 2.211 -0.000) 2.211 27.557 ( 0.000 -3.711 0.000) 3.711 28.341 ( 0.000 1.799 0.000) 1.799 28.380 ( 0.000 0.402 0.000) 0.402 28.845 ( -0.000 -0.194 0.000) 0.194 28.847 ( 0.000 -0.487 -0.000) 0.487 29.588 ( 0.000 2.678 0.000) 2.678 29.812 ( 0.000 -2.350 0.000) 2.350 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 37.679 0.000) 37.679 1.886 ( 0.000 39.706 0.000) 39.706 2.081 ( 0.000 6.874 0.000) 6.874 2.110 ( 0.000 -1.700 0.000) 1.700 2.314 ( 0.000 -5.004 0.000) 5.004 2.602 ( 0.000 8.997 0.000) 8.997 2.672 ( 0.000 -30.096 0.000) 30.096 2.942 ( 0.000 2.853 0.000) 2.853 3.037 ( 0.000 15.516 0.000) 15.516 3.075 ( 0.000 -2.706 0.000) 2.706 3.598 ( 0.000 12.407 0.000) 12.407 3.726 ( 0.000 -4.540 0.000) 4.540 3.810 ( 0.000 4.441 0.000) 4.441 3.911 ( 0.000 9.978 0.000) 9.978 3.984 ( 0.000 -13.189 0.000) 13.189 4.108 ( 0.000 3.383 0.000) 3.383 4.124 ( 0.000 -11.124 0.000) 11.124 4.404 ( 0.000 -13.836 0.000) 13.836 4.777 ( 0.000 0.248 0.000) 0.248 4.777 ( 0.000 0.284 0.000) 0.284 5.304 ( 0.000 10.797 0.000) 10.797 5.431 ( 0.000 -1.598 0.000) 1.598 5.576 ( 0.000 15.699 0.000) 15.699 5.704 ( 0.000 4.455 0.000) 4.455 5.828 ( 0.000 -1.546 0.000) 1.546 5.842 ( 0.000 -8.665 0.000) 8.665 6.013 ( 0.000 -7.492 0.000) 7.492 6.072 ( 0.000 -20.257 0.000) 20.257 6.226 ( 0.000 3.505 0.000) 3.505 6.346 ( 0.000 -8.475 0.000) 8.475 6.504 ( 0.000 1.891 0.000) 1.891 6.550 ( 0.000 -1.958 0.000) 1.958 6.714 ( 0.000 2.957 0.000) 2.957 6.763 ( 0.000 -1.047 0.000) 1.047 7.342 ( 0.000 9.278 0.000) 9.278 7.441 ( 0.000 8.171 0.000) 8.171 7.464 ( 0.000 -5.825 0.000) 5.825 7.736 ( 0.000 -15.354 0.000) 15.354 7.874 ( 0.000 4.174 0.000) 4.174 7.993 ( 0.000 -9.348 0.000) 9.348 8.039 ( 0.000 13.232 0.000) 13.232 8.261 ( 0.000 -8.417 0.000) 8.417 8.335 ( 0.000 12.538 0.000) 12.538 8.455 ( 0.000 1.094 0.000) 1.094 8.965 ( 0.000 -0.112 0.000) 0.112 9.065 ( 0.000 -8.358 0.000) 8.358 9.411 ( 0.000 1.080 0.000) 1.080 9.425 ( 0.000 -2.264 0.000) 2.264 9.687 ( 0.000 12.159 0.000) 12.159 9.889 ( 0.000 11.079 0.000) 11.079 9.946 ( 0.000 -11.454 0.000) 11.454 10.115 ( 0.000 -10.276 0.000) 10.276 10.242 ( 0.000 3.875 0.000) 3.875 10.305 ( 0.000 8.870 0.000) 8.870 10.306 ( 0.000 -2.489 0.000) 2.489 10.502 ( 0.000 -10.748 0.000) 10.748 10.645 ( 0.000 3.736 0.000) 3.736 10.725 ( 0.000 -4.109 0.000) 4.109 11.070 ( 0.000 6.588 0.000) 6.588 11.167 ( 0.000 -7.154 0.000) 7.154 11.196 ( 0.000 -4.428 0.000) 4.428 11.272 ( 0.000 -9.147 0.000) 9.147 11.791 ( 0.000 8.791 0.000) 8.791 11.849 ( 0.000 0.531 0.000) 0.531 11.938 ( 0.000 6.608 0.000) 6.608 12.021 ( 0.000 1.634 0.000) 1.634 12.079 ( 0.000 -3.801 0.000) 3.801 12.108 ( 0.000 -4.366 0.000) 4.366 12.379 ( 0.000 -2.147 0.000) 2.147 12.391 ( 0.000 -4.194 0.000) 4.194 12.677 ( 0.000 7.631 0.000) 7.631 12.713 ( 0.000 1.210 0.000) 1.210 12.790 ( 0.000 3.577 0.000) 3.577 12.979 ( 0.000 -12.307 0.000) 12.307 13.492 ( 0.000 7.930 0.000) 7.930 13.576 ( 0.000 1.457 0.000) 1.457 13.671 ( 0.000 10.688 0.000) 10.688 13.809 ( 0.000 -9.039 0.000) 9.039 14.032 ( 0.000 10.971 0.000) 10.971 14.332 ( 0.000 -13.387 0.000) 13.387 14.624 ( 0.000 29.148 0.000) 29.148 15.082 ( 0.000 -11.866 0.000) 11.866 15.169 ( 0.000 5.757 0.000) 5.757 15.323 ( 0.000 9.288 0.000) 9.288 15.372 ( 0.000 -14.373 0.000) 14.373 15.590 ( 0.000 -16.115 0.000) 16.115 15.694 ( 0.000 6.730 0.000) 6.730 15.727 ( 0.000 6.262 0.000) 6.262 15.737 ( 0.000 -0.725 0.000) 0.725 16.009 ( 0.000 -20.861 0.000) 20.861 16.334 ( 0.000 4.753 0.000) 4.753 16.388 ( 0.000 -0.693 0.000) 0.693 16.964 ( 0.000 -0.010 0.000) 0.010 16.972 ( 0.000 -0.663 0.000) 0.663 18.555 ( 0.000 18.590 0.000) 18.590 18.868 ( 0.000 -12.398 0.000) 12.398 20.032 ( 0.000 4.021 0.000) 4.021 20.065 ( 0.000 0.929 0.000) 0.929 20.123 ( 0.000 -2.870 0.000) 2.870 20.149 ( 0.000 -5.415 0.000) 5.415 20.628 ( 0.000 3.094 0.000) 3.094 20.658 ( 0.000 1.325 0.000) 1.325 20.716 ( 0.000 6.082 0.000) 6.082 20.799 ( 0.000 0.242 0.000) 0.242 20.840 ( 0.000 0.815 0.000) 0.815 20.949 ( 0.000 -5.818 0.000) 5.818 21.178 ( 0.000 -1.108 0.000) 1.108 21.220 ( 0.000 -4.120 0.000) 4.120 21.555 ( 0.000 1.537 0.000) 1.537 21.606 ( 0.000 -3.409 0.000) 3.409 21.681 ( 0.000 3.318 0.000) 3.318 21.731 ( 0.000 0.457 0.000) 0.457 21.831 ( 0.000 -0.809 0.000) 0.809 21.895 ( 0.000 -4.804 0.000) 4.804 22.264 ( 0.000 12.881 0.000) 12.881 22.384 ( 0.000 -0.807 0.000) 0.807 22.480 ( 0.000 3.627 0.000) 3.627 22.622 ( 0.000 -6.495 0.000) 6.495 22.838 ( 0.000 -0.097 0.000) 0.097 22.872 ( 0.000 -2.644 0.000) 2.644 23.007 ( 0.000 0.865 0.000) 0.865 23.018 ( 0.000 -0.161 0.000) 0.161 23.218 ( 0.000 3.887 0.000) 3.887 23.244 ( 0.000 1.451 0.000) 1.451 23.276 ( 0.000 -2.537 0.000) 2.537 23.312 ( 0.000 -3.432 0.000) 3.432 24.399 ( 0.000 6.112 0.000) 6.112 24.504 ( 0.000 -4.010 0.000) 4.010 24.555 ( 0.000 2.969 0.000) 2.969 24.634 ( 0.000 -4.873 0.000) 4.873 25.050 ( 0.000 0.602 0.000) 0.602 25.054 ( 0.000 0.458 0.000) 0.458 25.220 ( 0.000 4.267 0.000) 4.267 25.310 ( 0.000 -4.479 0.000) 4.479 25.631 ( 0.000 4.923 0.000) 4.923 25.761 ( 0.000 -7.125 0.000) 7.125 26.013 ( 0.000 7.435 0.000) 7.435 26.098 ( 0.000 -1.627 0.000) 1.627 26.147 ( 0.000 4.855 0.000) 4.855 26.241 ( 0.000 15.059 0.000) 15.059 26.293 ( 0.000 -9.029 0.000) 9.029 26.548 ( 0.000 -12.889 0.000) 12.889 26.582 ( 0.000 5.761 0.000) 5.761 26.680 ( 0.000 -3.344 0.000) 3.344 26.825 ( 0.000 1.721 0.000) 1.721 26.872 ( 0.000 -2.708 0.000) 2.708 26.973 ( 0.000 5.375 0.000) 5.375 27.137 ( 0.000 2.710 0.000) 2.710 27.143 ( 0.000 -11.146 0.000) 11.146 27.185 ( 0.000 -2.786 0.000) 2.786 28.270 ( 0.000 4.277 0.000) 4.277 28.303 ( 0.000 -0.440 0.000) 0.440 28.383 ( 0.000 1.312 0.000) 1.312 28.435 ( 0.000 -2.528 0.000) 2.528 29.888 ( 0.000 8.961 0.000) 8.961 30.075 ( 0.000 -8.984 0.000) 8.984 ======================= Grid point 23 (14/78) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -3.126 25.939 -11.137) 28.401 1.955 ( 10.645 18.531 3.035) 21.586 2.043 ( 4.014 10.298 -5.796) 12.480 2.310 ( 7.955 3.516 9.169) 12.638 2.522 ( 4.568 -13.156 8.458) 16.294 2.650 ( 11.849 -10.421 -11.207) 19.354 2.806 ( 12.600 10.280 16.025) 22.831 2.955 ( 2.461 -2.156 4.619) 5.660 3.085 ( 10.947 13.654 6.006) 18.502 3.234 ( 10.567 -7.962 9.381) 16.220 3.631 ( 5.102 12.419 -0.450) 13.433 3.732 ( 4.023 -3.057 -2.464) 5.621 3.823 ( 8.258 3.870 -7.179) 11.606 3.922 ( 10.994 -2.627 -5.526) 12.582 4.062 ( 3.461 8.596 0.688) 9.292 4.242 ( 8.378 -6.331 5.599) 11.900 4.338 ( 8.156 -4.115 11.499) 14.686 4.438 ( 6.365 -8.516 1.864) 10.794 4.840 ( 7.258 0.924 2.919) 7.878 4.852 ( 5.928 -0.736 3.169) 6.762 5.271 ( -1.384 11.636 -3.033) 12.104 5.410 ( -1.368 -1.443 -1.722) 2.630 5.529 ( -7.746 6.357 -4.931) 11.168 5.622 ( -0.742 12.201 -2.470) 12.470 5.706 ( -6.912 -10.374 -6.199) 13.922 5.950 ( 6.088 -0.963 6.239) 8.770 6.010 ( -1.888 -13.559 -2.138) 13.856 6.110 ( 1.890 -11.342 9.259) 14.763 6.313 ( 3.670 0.278 -0.430) 3.706 6.358 ( -4.038 -3.540 -3.028) 6.165 6.511 ( 7.698 1.962 -3.134) 8.540 6.575 ( 9.782 -4.360 -5.876) 12.216 6.868 ( 11.082 4.130 2.282) 12.044 6.887 ( 16.659 1.823 3.060) 17.036 7.346 ( -2.906 6.353 2.644) 7.469 7.398 ( 0.869 -1.406 1.726) 2.390 7.539 ( 5.520 3.402 1.159) 6.587 7.771 ( 1.286 -12.259 4.865) 13.252 7.887 ( -1.101 6.060 0.762) 6.206 7.989 ( -0.498 -2.152 -1.989) 2.972 8.072 ( -0.820 4.572 5.920) 7.525 8.234 ( -1.755 -5.419 2.353) 6.163 8.281 ( -3.489 9.887 -0.644) 10.504 8.409 ( -1.939 -2.875 -4.301) 5.525 8.859 ( -5.445 3.383 -10.970) 12.706 9.004 ( -2.317 -8.701 -13.177) 15.960 9.376 ( -1.388 -0.368 -2.507) 2.890 9.444 ( 4.023 -3.888 -2.366) 6.075 9.660 ( -4.275 3.962 2.540) 6.358 9.786 ( -8.263 -2.403 1.684) 8.768 10.008 ( 3.121 1.190 -6.644) 7.437 10.079 ( 3.892 1.887 -9.411) 10.357 10.132 ( 2.553 5.972 -2.563) 6.982 10.277 ( -6.547 -5.006 -5.264) 9.779 10.465 ( 8.289 -1.661 6.708) 10.792 10.528 ( 4.064 -4.828 4.310) 7.643 10.676 ( -0.230 2.513 2.092) 3.278 10.735 ( 3.822 -2.815 -1.916) 5.119 11.057 ( -3.780 -0.284 -4.443) 5.840 11.140 ( 1.664 -6.225 3.695) 7.427 11.238 ( 4.335 0.706 1.010) 4.506 11.322 ( -2.168 -5.586 3.812) 7.102 11.770 ( -3.752 8.168 -5.832) 10.715 11.802 ( -3.946 3.396 -1.331) 5.374 11.868 ( -5.167 3.150 -6.983) 9.240 11.941 ( 1.413 -2.504 0.184) 2.881 12.089 ( 2.842 0.077 5.854) 6.508 12.151 ( -0.564 -5.418 3.198) 6.317 12.357 ( 1.143 4.382 0.180) 4.532 12.515 ( 4.676 -9.990 5.465) 12.310 12.696 ( 7.268 1.762 -0.965) 7.540 12.729 ( 6.662 -1.784 -6.191) 9.268 12.922 ( -2.724 5.146 15.808) 16.846 13.029 ( -5.721 -5.299 14.612) 16.563 13.428 ( -0.993 9.208 -5.097) 10.571 13.565 ( 3.157 -1.126 -6.603) 7.405 13.755 ( 5.687 8.114 1.120) 9.971 13.867 ( 5.275 -6.984 2.344) 9.061 14.013 ( -1.426 10.585 -1.168) 10.744 14.288 ( -0.750 -11.267 -6.671) 13.115 14.632 ( 0.597 28.779 0.344) 28.787 15.027 ( -6.333 -6.084 0.396) 8.791 15.094 ( -13.349 4.572 4.556) 14.827 15.235 ( -0.119 0.238 -0.141) 0.301 15.457 ( 3.090 -6.472 -0.905) 7.229 15.566 ( -1.302 -15.252 -2.133) 15.455 15.656 ( -5.761 4.842 2.837) 8.042 15.713 ( 2.724 3.041 -4.590) 6.143 15.766 ( 3.033 -3.255 -2.611) 5.159 15.892 ( -7.975 -17.875 -4.017) 19.981 16.409 ( 6.247 4.562 1.792) 7.940 16.472 ( 6.314 -1.812 0.967) 6.640 16.941 ( -7.772 0.012 9.842) 12.541 16.955 ( -9.699 -1.126 14.211) 17.242 18.401 ( -12.316 18.517 -9.206) 24.069 18.710 ( -12.977 -12.202 -9.670) 20.268 20.048 ( -0.326 3.111 2.376) 3.929 20.105 ( 2.304 -1.106 1.956) 3.218 20.160 ( 3.848 -0.742 3.066) 4.976 20.194 ( 2.049 -2.753 2.532) 4.265 20.560 ( -5.882 3.418 -4.026) 7.905 20.594 ( -3.907 0.171 -1.263) 4.110 20.713 ( 0.622 5.195 -3.657) 6.384 20.765 ( -1.816 -0.097 0.006) 1.818 20.839 ( -0.782 0.022 2.444) 2.566 20.914 ( -0.589 -6.041 -5.168) 7.972 21.178 ( -0.235 -0.383 -1.369) 1.441 21.191 ( -1.749 -0.534 -3.784) 4.203 21.507 ( -4.521 2.493 -0.357) 5.175 21.573 ( -3.954 -3.713 -1.357) 5.591 21.676 ( -0.490 2.455 -0.138) 2.508 21.699 ( -2.110 1.365 -3.538) 4.339 21.818 ( -1.206 0.205 1.165) 1.689 21.865 ( -3.308 -3.193 0.488) 4.623 22.184 ( -4.243 12.695 -7.971) 15.579 22.290 ( -8.771 1.818 -1.095) 9.024 22.362 ( -11.288 1.480 -2.910) 11.751 22.471 ( -14.053 2.501 -4.702) 15.028 22.527 ( -4.636 -3.142 -5.133) 7.597 22.657 ( -7.397 -7.417 0.729) 10.500 23.121 ( -1.822 2.725 6.499) 7.279 23.152 ( -1.404 -0.479 8.501) 8.629 23.237 ( 12.892 2.627 1.808) 13.281 23.316 ( 8.095 -4.160 5.741) 10.761 23.641 ( 22.205 6.435 2.963) 23.308 23.817 ( 29.380 -11.601 3.303) 31.759 24.428 ( 4.367 4.181 -1.386) 6.202 24.499 ( 1.736 -2.574 -1.945) 3.663 24.637 ( 4.568 3.484 6.724) 8.844 24.747 ( 5.904 -7.773 10.299) 14.190 25.046 ( 0.907 1.471 -0.276) 1.750 25.075 ( 1.490 -1.093 0.165) 1.855 25.221 ( 1.802 4.359 -2.653) 5.412 25.318 ( 3.215 -5.086 -3.755) 7.093 25.632 ( 1.392 4.946 -2.047) 5.531 25.759 ( 0.390 -6.776 -0.740) 6.827 26.025 ( 1.102 7.039 0.685) 7.157 26.095 ( -0.194 0.083 0.402) 0.454 26.156 ( -0.240 3.520 1.318) 3.766 26.235 ( 0.473 8.465 -1.104) 8.550 26.293 ( -1.304 -2.468 2.007) 3.438 26.480 ( -2.672 -6.149 0.494) 6.723 26.613 ( -4.948 2.687 3.011) 6.385 26.681 ( 2.622 -4.376 0.443) 5.121 26.800 ( -1.344 1.664 -1.792) 2.791 26.857 ( -0.100 -3.447 -2.719) 4.392 27.027 ( 3.408 1.503 -0.244) 3.733 27.106 ( -2.343 -4.439 2.977) 5.836 27.206 ( 6.353 -2.801 -4.957) 8.531 27.215 ( 8.012 -1.400 -5.015) 9.555 28.259 ( 8.951 4.881 -15.529) 18.577 28.312 ( 4.790 -1.213 -6.796) 8.403 28.434 ( -2.058 2.759 13.449) 13.883 28.529 ( -1.211 -6.085 17.427) 18.498 29.842 ( -4.425 8.389 -0.971) 9.534 30.006 ( -6.566 -6.948 -1.071) 9.619 ======================= Grid point 24 (15/78) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -5.072 12.846 -12.977) 18.952 1.812 ( -5.128 -13.405 -12.940) 19.325 2.235 ( 4.003 15.345 6.990) 17.331 2.457 ( -0.428 -5.074 8.813) 10.178 2.667 ( 6.762 9.184 5.745) 12.770 2.888 ( 22.044 7.755 3.276) 23.597 2.941 ( -0.032 -5.421 3.262) 6.327 3.246 ( 17.766 -11.200 6.494) 21.983 3.486 ( 12.771 7.483 9.735) 17.716 3.596 ( 17.063 1.238 6.395) 18.264 3.782 ( 10.186 4.700 -0.597) 11.234 3.857 ( 12.818 -3.337 -2.971) 13.575 3.923 ( 10.163 0.973 -4.242) 11.056 4.016 ( 6.911 -4.433 -6.676) 10.582 4.243 ( 13.802 12.402 5.769) 19.432 4.372 ( 7.207 -4.461 -3.087) 9.021 4.528 ( 6.296 6.685 10.185) 13.714 4.665 ( 7.873 -3.340 8.294) 11.914 5.027 ( 8.971 4.643 4.791) 11.179 5.069 ( 9.759 0.099 8.364) 12.853 5.188 ( -0.932 8.206 -12.425) 14.919 5.338 ( -4.083 3.653 -5.038) 7.443 5.395 ( 1.756 -5.500 -1.191) 5.895 5.468 ( -3.612 -5.740 -5.712) 8.867 5.684 ( -0.856 6.600 2.994) 7.297 5.916 ( -4.682 -12.802 -4.469) 14.345 6.097 ( -1.907 7.008 6.220) 9.562 6.160 ( -6.177 -0.660 -10.474) 12.178 6.214 ( 3.299 -2.162 -2.162) 4.498 6.325 ( -0.778 -10.186 13.129) 16.635 6.631 ( 8.452 9.617 -2.181) 12.987 6.810 ( 13.702 -7.283 2.374) 15.698 7.088 ( 7.098 7.066 5.259) 11.312 7.255 ( 7.825 -6.118 5.107) 11.169 7.330 ( 9.873 9.708 -0.827) 13.871 7.538 ( 12.006 -8.019 1.310) 14.497 7.664 ( 2.629 3.843 0.557) 4.689 7.807 ( 1.789 5.837 -2.678) 6.666 7.814 ( -3.213 -2.990 -3.250) 5.461 7.891 ( 0.062 1.689 -12.445) 12.560 8.132 ( 3.115 0.301 4.818) 5.745 8.231 ( -6.326 -7.322 8.187) 12.676 8.329 ( 7.736 5.447 5.745) 11.069 8.425 ( 7.236 -3.809 -5.983) 10.132 8.584 ( -5.847 2.896 -12.195) 13.831 8.716 ( -8.988 -8.422 -20.687) 24.076 9.371 ( 3.536 5.022 -1.937) 6.441 9.526 ( 8.047 -7.318 -6.226) 12.532 9.626 ( -3.295 0.354 7.938) 8.602 9.716 ( 0.184 -5.928 4.602) 7.507 9.984 ( -1.390 1.852 -4.504) 5.065 10.089 ( 5.908 -2.824 -3.436) 7.395 10.176 ( 4.862 4.309 -1.831) 6.750 10.236 ( 2.850 -1.379 0.292) 3.179 10.535 ( -0.906 -3.958 -7.627) 8.641 10.572 ( 2.171 -6.452 -3.108) 7.484 10.698 ( 1.311 5.125 1.579) 5.521 10.787 ( 1.810 -1.571 0.818) 2.533 11.077 ( 2.209 6.312 7.653) 10.163 11.211 ( -5.172 4.053 -1.620) 6.768 11.258 ( -0.736 -9.269 8.249) 12.430 11.286 ( 2.504 -3.512 1.062) 4.442 11.629 ( -5.607 4.676 -4.129) 8.388 11.691 ( -5.343 -1.737 -2.005) 5.966 11.812 ( 2.031 4.570 -4.619) 6.807 11.946 ( -1.320 -6.297 -5.115) 8.220 12.139 ( 0.858 5.900 7.029) 9.217 12.261 ( 2.010 -4.906 8.759) 10.239 12.418 ( 5.242 9.078 1.460) 10.584 12.652 ( 8.004 -12.767 1.555) 15.149 12.805 ( -0.873 1.928 2.524) 3.294 12.838 ( 8.050 -2.158 0.342) 8.341 12.966 ( 0.707 3.957 6.647) 7.768 13.057 ( -3.093 -3.870 12.142) 13.114 13.406 ( 2.161 9.921 -0.862) 10.190 13.587 ( 5.336 -5.980 -4.501) 9.192 13.814 ( 3.682 9.772 -5.448) 11.778 13.928 ( -1.867 3.794 -4.652) 6.287 14.007 ( 3.120 -0.236 0.141) 3.132 14.201 ( -1.002 -8.021 -7.275) 10.875 14.638 ( -0.518 27.481 -0.386) 27.489 14.827 ( -8.980 12.115 -5.875) 16.184 15.002 ( -9.556 -5.065 11.570) 15.838 15.257 ( -1.183 -4.035 5.461) 6.892 15.459 ( -1.652 -6.349 1.183) 6.666 15.506 ( -4.252 -21.351 -1.731) 21.839 15.589 ( -4.835 2.977 2.597) 6.243 15.693 ( -0.371 2.872 -4.189) 5.092 15.724 ( -4.502 -12.244 -2.599) 13.302 15.802 ( 2.996 -5.167 -5.025) 7.805 16.523 ( 5.221 2.931 -1.019) 6.074 16.558 ( 4.124 -0.600 -2.371) 4.794 16.914 ( -9.574 0.622 16.423) 19.020 16.943 ( -12.263 -2.084 23.758) 26.818 17.998 ( -20.466 16.277 -14.704) 30.000 18.266 ( -23.135 -10.430 -16.963) 30.525 20.060 ( -1.350 3.775 2.268) 4.606 20.136 ( -0.907 -3.475 1.192) 3.785 20.196 ( -5.467 3.237 3.257) 7.140 20.261 ( 0.787 -2.760 3.693) 4.677 20.454 ( -0.964 4.077 -4.953) 6.487 20.510 ( -3.289 -1.274 -2.311) 4.217 20.667 ( 0.478 1.447 -7.431) 7.585 20.736 ( -0.638 -4.046 -5.831) 7.126 20.874 ( 1.881 2.198 4.973) 5.754 20.913 ( 3.189 -1.432 4.874) 5.998 21.104 ( -1.243 4.007 -4.856) 6.417 21.156 ( -0.605 -1.324 -1.064) 1.803 21.417 ( -6.600 0.994 0.690) 6.710 21.450 ( -6.762 -1.586 -2.824) 7.498 21.595 ( -4.910 3.766 -3.386) 7.053 21.641 ( -3.906 -0.125 -0.616) 3.956 21.816 ( 0.173 0.894 0.700) 1.149 21.852 ( 0.746 -2.100 1.465) 2.667 22.043 ( -4.049 9.004 -5.119) 11.121 22.138 ( -7.164 4.721 0.093) 8.580 22.182 ( -6.487 -1.614 -3.487) 7.539 22.252 ( -11.091 -2.140 2.588) 11.588 22.452 ( -3.002 -2.337 0.289) 3.815 22.551 ( -6.365 -8.230 -0.098) 10.404 23.183 ( 2.274 3.581 5.513) 6.956 23.254 ( 4.772 -3.568 4.373) 7.391 23.441 ( 9.142 2.561 -0.817) 9.529 23.480 ( 6.809 -1.155 -0.686) 6.940 23.994 ( 16.547 9.284 1.839) 19.063 24.178 ( 15.083 -8.318 -1.382) 17.280 24.506 ( 5.794 1.055 -2.099) 6.253 24.529 ( 3.503 -1.183 -2.068) 4.237 24.804 ( 5.201 5.222 8.215) 11.036 24.911 ( 3.351 -3.496 3.805) 6.158 25.085 ( 0.681 -0.987 1.729) 2.104 25.109 ( -0.154 -2.711 6.407) 6.959 25.239 ( 4.793 4.466 -4.760) 8.098 25.362 ( 7.334 -7.711 -4.957) 11.740 25.653 ( 4.217 4.769 -2.556) 6.860 25.770 ( 1.794 -5.593 -0.593) 5.904 26.059 ( 1.699 6.384 0.253) 6.611 26.110 ( 2.216 1.730 0.492) 2.854 26.173 ( 0.431 2.239 2.958) 3.735 26.235 ( 1.396 -0.628 -1.002) 1.830 26.314 ( -0.029 5.792 4.785) 7.513 26.471 ( -1.536 -3.978 4.091) 5.910 26.579 ( -2.262 2.712 3.366) 4.878 26.683 ( -0.755 -2.107 -2.753) 3.547 26.754 ( -2.223 -3.738 -1.119) 4.491 26.817 ( -1.339 -6.225 -3.811) 7.420 27.035 ( -1.258 1.854 -0.170) 2.247 27.098 ( -2.070 -3.791 1.075) 4.451 27.283 ( 9.508 1.362 -7.076) 11.930 27.339 ( 11.083 -3.550 -5.222) 12.755 28.282 ( 8.892 4.125 -11.709) 15.270 28.334 ( 6.048 -1.472 -7.801) 9.979 28.556 ( 0.514 3.779 13.783) 14.301 28.672 ( -1.385 -7.389 15.527) 17.252 29.743 ( -5.488 7.244 -0.620) 9.109 29.874 ( -7.608 -4.916 0.485) 9.071 ======================= Grid point 25 (16/78) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.610 11.696 -9.993) 15.395 1.695 ( 3.447 -18.676 -7.028) 20.250 2.318 ( -1.101 11.587 7.223) 13.698 2.532 ( 1.305 -8.784 6.603) 11.066 2.835 ( 6.209 3.173 4.995) 8.577 2.954 ( -0.165 -7.413 -0.058) 7.415 3.346 ( 20.582 11.609 9.790) 25.578 3.563 ( 10.033 0.220 0.148) 10.036 3.660 ( 3.103 -1.846 7.425) 8.256 3.732 ( -0.525 -1.857 -2.852) 3.443 3.894 ( 6.284 9.295 -0.856) 11.253 4.001 ( 8.590 -0.210 -2.897) 9.068 4.058 ( 13.183 2.563 -6.507) 14.923 4.194 ( 12.319 -8.797 0.401) 15.143 4.456 ( 6.369 3.426 -1.460) 7.378 4.480 ( 7.693 1.566 2.340) 8.192 4.662 ( 0.684 9.244 2.301) 9.550 4.851 ( 5.150 -3.435 5.258) 8.122 4.977 ( -2.362 5.380 -15.118) 16.219 5.139 ( -2.609 0.276 -2.836) 3.863 5.201 ( 1.336 0.307 4.155) 4.375 5.227 ( -1.394 -5.614 -4.475) 7.313 5.548 ( 4.448 5.290 3.932) 7.952 5.591 ( 11.300 0.905 1.889) 11.492 5.653 ( -0.063 -3.484 1.629) 3.846 5.771 ( -2.948 -10.536 -5.696) 12.335 5.972 ( -5.710 5.336 -0.896) 7.867 6.041 ( -3.730 -0.802 -4.393) 5.819 6.353 ( 9.468 5.546 4.871) 12.006 6.490 ( 4.427 -5.292 10.147) 12.271 6.744 ( 2.410 12.447 6.259) 14.139 6.949 ( -2.910 -2.854 5.295) 6.682 7.162 ( -7.714 0.112 -1.626) 7.884 7.194 ( 1.383 -2.495 1.208) 3.098 7.407 ( -6.738 2.135 -18.928) 20.204 7.447 ( -7.394 1.248 -8.784) 11.550 7.651 ( -3.224 2.335 -5.381) 6.694 7.722 ( -3.801 -5.110 -1.288) 6.498 7.848 ( -4.490 2.733 -15.696) 16.552 7.926 ( 7.434 -5.295 -1.433) 9.238 8.167 ( 14.745 3.127 0.390) 15.078 8.275 ( 7.934 -5.938 -12.191) 15.711 8.509 ( 12.844 -1.041 3.437) 13.336 8.521 ( 14.392 2.018 12.766) 19.344 8.709 ( 13.643 -0.628 7.848) 15.752 8.757 ( 19.216 -6.035 7.252) 21.407 9.434 ( 5.389 4.825 -0.240) 7.237 9.525 ( 2.879 -4.110 -4.561) 6.781 9.723 ( 5.890 5.853 -3.413) 8.978 9.884 ( 7.038 -6.321 -0.080) 9.460 9.917 ( -1.493 3.380 9.844) 10.515 10.088 ( -9.511 -9.138 6.001) 14.491 10.261 ( 5.584 5.043 0.218) 7.527 10.336 ( 11.635 -1.570 -4.589) 12.606 10.483 ( 2.502 0.232 -3.589) 4.382 10.592 ( 5.474 -8.018 -3.552) 10.338 10.699 ( -5.829 6.913 2.346) 9.342 10.797 ( -2.760 -1.059 3.482) 4.568 11.060 ( -0.198 1.103 -4.524) 4.660 11.126 ( 1.354 -3.936 -5.371) 6.795 11.331 ( -5.858 1.758 11.382) 12.921 11.423 ( 1.757 -5.053 9.496) 10.899 11.489 ( -3.624 4.418 -4.390) 7.206 11.612 ( -1.489 -6.492 -0.672) 6.695 11.797 ( -1.771 -0.725 -0.622) 2.013 11.829 ( -3.338 -3.255 -6.750) 8.203 12.243 ( 1.523 6.135 4.495) 7.756 12.320 ( -2.055 -0.432 1.987) 2.891 12.544 ( 7.186 13.269 2.010) 15.223 12.760 ( -1.169 3.090 4.571) 5.640 12.837 ( 10.087 -7.833 -1.478) 12.856 12.890 ( 0.360 -5.143 0.006) 5.155 13.132 ( 10.083 2.499 3.959) 11.117 13.237 ( 10.187 -6.546 8.373) 14.722 13.509 ( 8.180 7.070 4.330) 11.647 13.632 ( 3.539 -4.927 -1.498) 6.249 13.747 ( -4.980 7.197 -8.590) 12.263 13.807 ( -2.239 7.921 -6.731) 10.634 14.032 ( 3.301 -3.930 -5.967) 7.871 14.127 ( -2.199 -7.168 -3.163) 8.138 14.603 ( -3.114 20.639 -1.220) 20.908 14.684 ( -1.965 15.462 -1.808) 15.691 14.938 ( -9.754 -2.667 7.816) 12.780 15.253 ( -4.457 -1.120 1.435) 4.814 15.391 ( -7.559 -19.064 -1.216) 20.544 15.460 ( -0.361 -12.395 2.810) 12.715 15.547 ( -6.244 -2.755 1.700) 7.033 15.552 ( -7.962 -2.356 -2.173) 8.583 15.728 ( 4.564 2.654 -0.913) 5.357 15.823 ( 2.388 -4.687 2.777) 5.948 16.544 ( -1.599 2.456 1.902) 3.493 16.586 ( 0.410 -2.002 0.392) 2.080 16.946 ( -4.609 2.560 14.208) 15.155 16.997 ( -6.433 -2.273 18.168) 19.407 17.475 ( -22.222 11.452 -15.925) 29.641 17.658 ( -25.932 -6.964 -19.401) 33.126 20.020 ( -4.646 3.103 -0.610) 5.620 20.082 ( -4.309 -2.811 -2.041) 5.535 20.119 ( -6.529 5.343 2.891) 8.918 20.238 ( -6.509 -5.831 2.266) 9.028 20.386 ( -0.315 4.530 -4.472) 6.373 20.456 ( -0.994 -1.610 -2.662) 3.266 20.583 ( -1.719 1.275 -5.779) 6.162 20.661 ( -0.020 -5.005 -7.120) 8.703 20.938 ( -1.198 5.245 1.237) 5.520 21.023 ( 0.650 -2.880 3.577) 4.638 21.133 ( 5.497 5.433 0.943) 7.786 21.181 ( 3.827 0.887 1.713) 4.285 21.318 ( -2.498 -0.065 1.469) 2.899 21.358 ( -3.278 -2.870 4.278) 6.106 21.490 ( -4.113 3.910 -2.484) 6.194 21.562 ( -3.100 -2.167 -0.990) 3.909 21.844 ( 1.857 2.315 1.026) 3.140 21.894 ( 1.790 -1.405 2.160) 3.138 21.949 ( -3.720 5.097 -0.473) 6.327 22.037 ( -5.107 4.085 -0.264) 6.545 22.091 ( -2.271 -4.307 -2.134) 5.316 22.121 ( -7.061 -1.655 3.360) 7.992 22.404 ( -2.807 -1.984 -0.588) 3.487 22.448 ( -5.251 -4.847 -0.390) 7.157 23.279 ( 3.511 4.020 2.852) 6.052 23.351 ( 2.919 -2.870 -0.271) 4.102 23.499 ( 0.882 3.143 -3.988) 5.154 23.554 ( 4.660 -2.414 -1.184) 5.380 24.249 ( 12.479 6.400 0.147) 14.025 24.371 ( 9.915 -5.379 -1.338) 11.359 24.548 ( 2.190 0.642 -3.845) 4.471 24.562 ( 2.892 -0.782 -2.402) 3.840 24.923 ( 3.454 3.422 1.509) 5.091 24.985 ( 2.824 -1.605 0.895) 3.369 25.097 ( -0.709 2.169 2.366) 3.287 25.151 ( -2.221 -2.193 5.999) 6.763 25.291 ( 5.791 5.875 -3.345) 8.901 25.444 ( 4.750 -8.168 -1.423) 9.556 25.728 ( 6.250 3.768 -1.254) 7.405 25.805 ( 2.028 -2.014 0.485) 2.899 26.090 ( 2.610 5.507 -0.422) 6.109 26.175 ( 3.853 -0.574 0.191) 3.901 26.231 ( 3.207 3.435 2.962) 5.555 26.284 ( 4.186 -1.056 0.540) 4.351 26.368 ( 0.527 5.707 4.980) 7.593 26.490 ( -2.276 -3.423 4.971) 6.450 26.577 ( -1.552 3.387 2.353) 4.407 26.642 ( -0.136 -0.241 -2.637) 2.651 26.705 ( -2.175 -6.969 -1.771) 7.512 26.757 ( -1.871 -9.320 0.199) 9.508 26.998 ( -2.227 2.027 -1.568) 3.396 27.053 ( -3.151 -3.353 0.167) 4.604 27.365 ( 7.664 3.333 -7.496) 11.227 27.450 ( 7.297 -4.727 -5.357) 10.212 28.324 ( 6.544 2.715 -7.065) 10.006 28.361 ( 4.829 -1.020 -6.026) 7.789 28.696 ( 2.248 2.703 9.375) 10.013 28.772 ( -1.464 -4.634 10.441) 11.517 29.669 ( -3.012 6.027 0.795) 6.785 29.780 ( -4.958 -4.548 2.565) 7.200 ======================= Grid point 26 (17/78) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 4.270 17.517 -3.322) 18.334 1.750 ( 5.398 -19.133 -1.201) 19.916 2.358 ( -0.476 12.879 4.272) 13.577 2.625 ( 3.522 -14.140 3.318) 14.945 2.923 ( -1.210 1.070 -0.012) 1.615 2.968 ( 3.751 -3.555 1.761) 5.459 3.511 ( -4.630 5.629 0.917) 7.346 3.613 ( -8.603 -3.136 0.710) 9.184 3.737 ( 12.317 4.317 2.399) 13.271 3.841 ( 6.439 -3.755 0.131) 7.455 3.987 ( 3.684 7.040 2.999) 8.493 4.088 ( 5.191 -2.964 -2.118) 6.342 4.239 ( 14.042 7.091 -5.943) 16.816 4.380 ( 8.831 -5.970 2.070) 10.859 4.529 ( 1.283 6.844 0.375) 6.973 4.571 ( 3.870 6.996 -2.676) 8.431 4.657 ( -0.797 4.478 0.994) 4.656 4.798 ( -5.778 -6.350 -6.118) 10.542 4.965 ( 5.236 2.580 -0.689) 5.878 5.080 ( 0.912 -5.938 -4.247) 7.357 5.172 ( -2.154 1.083 3.627) 4.355 5.236 ( -2.074 -4.681 1.731) 5.404 5.455 ( -5.721 1.401 -6.043) 8.439 5.560 ( -2.333 -5.985 -2.969) 7.076 5.791 ( 5.229 0.493 -2.249) 5.713 5.838 ( 4.464 -1.660 -1.436) 4.975 5.889 ( -3.007 2.356 -0.697) 3.883 5.931 ( -5.431 -0.485 0.223) 5.458 6.563 ( 5.787 8.059 5.466) 11.327 6.630 ( 3.831 4.086 4.363) 7.099 6.764 ( -4.620 10.185 1.035) 11.231 6.933 ( -6.436 6.249 -0.726) 9.000 6.975 ( -4.143 -4.011 -3.458) 6.724 7.012 ( -10.019 -2.539 -7.028) 12.499 7.187 ( -6.037 -4.424 -11.765) 13.944 7.324 ( 1.837 -11.848 1.918) 12.142 7.525 ( -2.910 1.809 -6.076) 6.975 7.633 ( 2.008 -5.656 -2.183) 6.387 7.745 ( -1.603 6.308 0.588) 6.535 7.894 ( -3.185 -8.164 -2.826) 9.208 8.407 ( 9.329 0.684 5.664) 10.935 8.441 ( 8.446 -2.544 2.197) 9.091 8.737 ( 8.116 1.991 -5.147) 9.814 8.846 ( 10.067 -7.980 -1.742) 12.964 9.048 ( 17.463 10.585 14.297) 24.928 9.248 ( 23.518 -6.671 6.989) 25.426 9.566 ( 7.638 3.600 -1.990) 8.675 9.607 ( 11.635 -0.803 -6.011) 13.120 9.752 ( 2.588 8.051 1.274) 8.552 9.872 ( -2.334 -0.735 6.672) 7.106 9.980 ( -3.948 4.542 2.478) 6.508 10.059 ( 0.568 -2.369 0.925) 2.606 10.360 ( 5.968 9.670 -2.260) 11.586 10.411 ( -13.263 6.149 3.500) 15.032 10.496 ( -1.744 -3.316 3.819) 5.350 10.599 ( 6.756 -3.297 -4.040) 8.534 10.654 ( 2.794 -2.929 0.764) 4.119 10.833 ( 2.088 -11.063 5.412) 12.491 11.073 ( 3.999 -1.034 -5.072) 6.541 11.114 ( 1.628 -4.067 -6.235) 7.620 11.286 ( -4.798 2.725 5.420) 7.734 11.404 ( -5.094 -6.115 11.143) 13.694 11.537 ( 0.856 -1.698 1.663) 2.527 11.585 ( -1.311 -6.625 -3.678) 7.690 11.725 ( -2.813 2.441 0.046) 3.725 11.785 ( -0.818 -2.979 0.898) 3.217 12.202 ( -4.386 2.800 -6.165) 8.068 12.231 ( -4.925 0.534 -4.442) 6.653 12.693 ( 7.478 16.970 1.645) 18.618 12.829 ( 4.231 6.065 2.375) 7.767 12.908 ( 1.584 -1.941 -0.063) 2.506 13.002 ( 8.758 -10.576 -0.317) 13.735 13.291 ( 1.722 6.209 5.293) 8.339 13.451 ( 3.628 -7.883 3.754) 9.455 13.561 ( 1.045 5.162 -9.128) 10.539 13.640 ( 4.172 -1.334 -8.003) 9.123 13.771 ( 8.003 4.968 5.454) 10.885 13.840 ( 10.300 -0.699 6.694) 12.304 14.000 ( -0.430 -2.577 -4.578) 5.271 14.045 ( -4.213 -4.695 -2.445) 6.765 14.510 ( -2.185 12.929 -2.914) 13.433 14.760 ( 1.128 -5.032 7.045) 8.731 14.822 ( -4.670 10.017 0.862) 11.086 15.162 ( -8.440 -14.115 -1.731) 16.537 15.198 ( -9.217 6.892 -3.094) 11.917 15.342 ( -8.606 2.297 -2.663) 9.297 15.398 ( -6.355 -7.752 -4.297) 10.906 15.551 ( 1.253 -10.891 3.292) 11.447 15.836 ( 5.295 5.039 4.471) 8.569 15.954 ( 4.005 -5.506 10.650) 12.641 16.547 ( -1.330 2.067 3.996) 4.691 16.588 ( -1.399 -2.364 1.882) 3.330 16.918 ( -12.716 3.306 -6.189) 14.523 16.971 ( -13.622 -2.148 -3.906) 14.333 17.077 ( -5.208 5.723 0.203) 7.741 17.164 ( -8.596 -2.735 -3.378) 9.632 19.921 ( -4.623 2.949 -1.554) 5.700 19.985 ( -4.188 -3.414 -1.391) 5.579 20.030 ( -4.347 4.354 -0.832) 6.209 20.120 ( -6.127 -4.042 -1.107) 7.423 20.381 ( 1.367 1.756 -0.510) 2.283 20.421 ( -0.183 -2.099 -1.900) 2.837 20.532 ( -0.225 2.759 -1.621) 3.208 20.601 ( -0.525 -3.683 -4.066) 5.511 20.902 ( -1.865 5.903 -1.000) 6.271 21.031 ( -1.200 -6.377 1.557) 6.673 21.112 ( -2.831 8.562 -0.544) 9.034 21.251 ( -0.141 -3.738 0.430) 3.765 21.365 ( 1.266 8.972 2.050) 9.290 21.422 ( -0.864 -0.131 -0.070) 0.877 21.450 ( 4.188 -4.192 3.960) 7.127 21.554 ( 2.350 -5.535 0.531) 6.036 21.880 ( -0.135 3.105 1.106) 3.299 21.920 ( 0.988 2.818 1.678) 3.425 21.922 ( -2.403 0.814 1.631) 3.016 21.998 ( 1.220 0.266 2.141) 2.479 22.026 ( -3.103 -0.424 1.688) 3.558 22.098 ( -0.528 -3.190 1.075) 3.408 22.342 ( -3.063 0.016 -2.473) 3.937 22.370 ( -2.858 -2.571 -0.871) 3.942 23.322 ( 0.497 1.461 -2.041) 2.559 23.339 ( -1.013 -0.317 -3.340) 3.505 23.469 ( 0.231 7.586 -1.145) 7.675 23.621 ( 3.333 -6.800 0.245) 7.577 24.407 ( 5.648 3.588 -0.424) 6.705 24.482 ( 3.491 -3.343 0.421) 4.852 24.541 ( 2.179 1.669 -3.520) 4.464 24.581 ( 2.620 -1.990 -2.062) 3.883 24.974 ( 2.140 1.712 -0.410) 2.771 25.010 ( 0.426 -1.566 -0.645) 1.747 25.105 ( -0.696 3.057 1.434) 3.447 25.162 ( -1.455 -2.309 2.995) 4.052 25.360 ( 4.064 6.396 -0.688) 7.609 25.486 ( 1.416 -5.460 -0.128) 5.642 25.812 ( 4.047 2.642 -0.684) 4.881 25.835 ( 0.362 2.114 1.304) 2.510 26.134 ( 2.667 3.463 -0.525) 4.402 26.232 ( 3.056 -2.532 -0.325) 3.982 26.321 ( 3.899 5.861 1.208) 7.142 26.341 ( 1.253 1.666 -1.375) 2.497 26.421 ( 1.573 1.413 3.588) 4.164 26.487 ( -1.908 -3.974 3.986) 5.943 26.592 ( -0.312 4.734 0.853) 4.820 26.597 ( -0.925 0.440 -2.025) 2.269 26.682 ( -0.168 -7.834 1.122) 7.916 26.772 ( 0.574 -10.041 3.220) 10.560 26.931 ( -3.013 3.153 -1.903) 4.759 27.017 ( -1.487 -4.795 0.744) 5.076 27.390 ( 3.215 3.781 -5.894) 7.705 27.478 ( 2.332 -4.782 -4.645) 7.063 28.360 ( 3.376 1.627 -3.147) 4.894 28.380 ( 2.607 -0.329 -3.251) 4.180 28.798 ( 1.988 0.942 4.109) 4.661 28.826 ( -1.085 -1.707 5.435) 5.800 29.654 ( -0.388 4.822 1.247) 4.996 29.749 ( -2.016 -4.293 2.463) 5.344 ======================= Grid point 27 (18/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 19.722 0.000) 19.722 1.795 ( 0.000 -18.074 0.000) 18.074 2.379 ( 0.000 14.300 0.000) 14.300 2.680 ( 0.000 -16.497 0.000) 16.497 2.907 ( -0.000 5.627 0.000) 5.627 3.014 ( 0.000 -5.162 0.000) 5.162 3.468 ( 0.000 1.988 0.000) 1.988 3.526 ( -0.000 -3.419 0.000) 3.419 3.835 ( 0.000 3.457 -0.000) 3.457 3.881 ( 0.000 -0.591 -0.000) 0.591 4.064 ( 0.000 3.636 0.000) 3.636 4.120 ( 0.000 -2.374 0.000) 2.374 4.370 ( 0.000 8.682 0.000) 8.682 4.478 ( -0.000 2.855 0.000) 2.855 4.514 ( 0.000 4.500 0.000) 4.500 4.604 ( 0.000 -0.805 0.000) 0.805 4.668 ( -0.000 0.593 0.000) 0.593 4.676 ( 0.000 -0.609 -0.000) 0.609 5.018 ( 0.000 -1.219 0.000) 1.219 5.072 ( 0.000 -5.597 0.000) 5.597 5.196 ( 0.000 -1.677 -0.000) 1.677 5.211 ( -0.000 -3.825 0.000) 3.825 5.357 ( -0.000 4.286 -0.000) 4.286 5.524 ( 0.000 -10.052 0.000) 10.052 5.807 ( 0.000 9.367 -0.000) 9.367 5.810 ( -0.000 1.986 0.000) 1.986 5.864 ( -0.000 0.897 0.000) 0.897 5.919 ( 0.000 -8.445 -0.000) 8.445 6.647 ( 0.000 12.283 0.000) 12.283 6.678 ( -0.000 5.316 -0.000) 5.316 6.691 ( 0.000 11.835 0.000) 11.835 6.826 ( 0.000 4.864 0.000) 4.864 6.863 ( 0.000 -1.674 -0.000) 1.674 6.981 ( 0.000 -16.267 0.000) 16.267 7.093 ( 0.000 2.628 -0.000) 2.628 7.337 ( 0.000 -16.638 0.000) 16.638 7.510 ( 0.000 4.982 -0.000) 4.982 7.663 ( -0.000 -8.251 0.000) 8.251 7.733 ( 0.000 5.955 0.000) 5.955 7.844 ( 0.000 -6.561 0.000) 6.561 8.492 ( 0.000 1.674 0.000) 1.674 8.581 ( 0.000 -7.110 -0.000) 7.110 8.725 ( 0.000 6.766 0.000) 6.766 8.910 ( 0.000 -11.458 0.000) 11.458 9.314 ( 0.000 11.065 0.000) 11.065 9.556 ( -0.000 -10.797 -0.000) 10.797 9.600 ( -0.000 2.993 0.000) 2.993 9.615 ( 0.000 1.784 -0.000) 1.784 9.825 ( 0.000 11.123 0.000) 11.123 9.958 ( 0.000 8.715 0.000) 8.715 9.981 ( 0.000 -2.165 -0.000) 2.165 10.052 ( 0.000 2.443 0.000) 2.443 10.207 ( 0.000 13.246 0.000) 13.246 10.423 ( 0.000 14.158 -0.000) 14.158 10.440 ( 0.000 -7.566 0.000) 7.566 10.650 ( -0.000 -6.628 0.000) 6.628 10.819 ( -0.000 -7.776 -0.000) 7.776 10.821 ( 0.000 -14.113 0.000) 14.113 11.066 ( 0.000 0.602 0.000) 0.602 11.081 ( 0.000 -0.240 -0.000) 0.240 11.299 ( 0.000 2.871 -0.000) 2.871 11.422 ( 0.000 -6.930 0.000) 6.930 11.541 ( -0.000 -4.363 0.000) 4.363 11.568 ( 0.000 -6.946 0.000) 6.946 11.698 ( 0.000 2.728 0.000) 2.728 11.773 ( 0.000 -4.125 0.000) 4.125 12.119 ( 0.000 1.775 -0.000) 1.775 12.140 ( 0.000 -0.129 0.000) 0.129 12.777 ( 0.000 18.004 0.000) 18.004 12.885 ( 0.000 6.478 0.000) 6.478 12.921 ( 0.000 0.025 0.000) 0.025 13.085 ( 0.000 -10.874 0.000) 10.874 13.301 ( 0.000 10.821 0.000) 10.821 13.467 ( 0.000 -1.986 0.000) 1.986 13.579 ( 0.000 -2.371 -0.000) 2.371 13.626 ( 0.000 -3.844 -0.000) 3.844 13.879 ( 0.000 3.860 0.000) 3.860 13.963 ( 0.000 -3.935 0.000) 3.935 14.013 ( 0.000 -2.190 -0.000) 2.190 14.013 ( -0.000 -3.106 0.000) 3.106 14.501 ( 0.000 8.550 0.000) 8.550 14.722 ( 0.000 -11.569 0.000) 11.569 14.823 ( -0.000 12.794 0.000) 12.794 15.079 ( 0.000 -12.490 0.000) 12.490 15.095 ( -0.000 5.042 -0.000) 5.042 15.246 ( 0.000 -10.084 -0.000) 10.084 15.294 ( -0.000 13.976 0.000) 13.976 15.584 ( 0.000 -12.857 0.000) 12.857 15.929 ( 0.000 8.213 0.000) 8.213 16.071 ( 0.000 -5.402 0.000) 5.402 16.559 ( 0.000 0.983 0.000) 0.983 16.569 ( 0.000 -0.877 -0.000) 0.877 16.724 ( 0.000 -0.077 -0.000) 0.077 16.738 ( 0.000 -2.020 0.000) 2.020 17.077 ( 0.000 4.576 -0.000) 4.576 17.133 ( 0.000 -0.721 0.000) 0.721 19.868 ( 0.000 3.158 0.000) 3.158 19.939 ( 0.000 -3.799 0.000) 3.799 19.987 ( 0.000 3.041 0.000) 3.041 20.056 ( 0.000 -3.589 0.000) 3.589 20.395 ( 0.000 0.650 0.000) 0.650 20.411 ( 0.000 -0.935 -0.000) 0.935 20.527 ( 0.000 2.273 0.000) 2.273 20.574 ( 0.000 -2.211 0.000) 2.211 20.878 ( 0.000 6.074 0.000) 6.074 21.028 ( 0.000 -8.439 -0.000) 8.439 21.083 ( 0.000 9.794 0.000) 9.794 21.250 ( 0.000 -5.484 0.000) 5.484 21.357 ( 0.000 9.804 -0.000) 9.804 21.428 ( 0.000 -0.993 0.000) 0.993 21.515 ( 0.000 -4.592 0.000) 4.592 21.580 ( 0.000 -6.806 0.000) 6.806 21.887 ( -0.000 3.132 0.000) 3.132 21.892 ( 0.000 2.936 0.000) 2.936 21.968 ( 0.000 3.668 0.000) 3.668 21.997 ( -0.000 3.554 0.000) 3.554 22.053 ( 0.000 -4.175 0.000) 4.175 22.099 ( 0.000 -4.685 0.000) 4.685 22.285 ( 0.000 2.663 0.000) 2.663 22.341 ( 0.000 -2.459 -0.000) 2.459 23.302 ( -0.000 0.495 0.000) 0.495 23.305 ( 0.000 0.110 -0.000) 0.110 23.474 ( 0.000 9.049 0.000) 9.049 23.653 ( 0.000 -7.878 0.000) 7.878 24.441 ( 0.000 2.739 0.000) 2.739 24.509 ( 0.000 -3.694 -0.000) 3.694 24.552 ( -0.000 2.728 0.000) 2.728 24.602 ( 0.000 -2.190 0.000) 2.190 24.991 ( 0.000 0.702 0.000) 0.702 25.005 ( -0.000 -0.625 -0.000) 0.625 25.105 ( 0.000 3.084 0.000) 3.084 25.163 ( 0.000 -2.521 0.000) 2.521 25.395 ( 0.000 5.627 -0.000) 5.627 25.497 ( 0.000 -4.071 0.000) 4.071 25.838 ( 0.000 4.186 -0.000) 4.186 25.848 ( -0.000 1.570 0.000) 1.570 26.156 ( 0.000 2.320 0.000) 2.320 26.263 ( 0.000 -6.616 0.000) 6.616 26.323 ( -0.000 8.021 0.000) 8.021 26.368 ( 0.000 7.730 0.000) 7.730 26.461 ( 0.000 -1.519 0.000) 1.519 26.504 ( 0.000 -9.116 0.000) 9.116 26.553 ( 0.000 2.356 -0.000) 2.356 26.612 ( 0.000 8.038 0.000) 8.038 26.690 ( 0.000 -9.655 0.000) 9.655 26.800 ( 0.000 -10.107 0.000) 10.107 26.890 ( 0.000 5.454 0.000) 5.454 27.011 ( 0.000 -6.321 0.000) 6.321 27.383 ( 0.000 3.786 0.000) 3.786 27.469 ( 0.000 -4.571 0.000) 4.571 28.374 ( 0.000 1.237 0.000) 1.237 28.386 ( 0.000 0.004 0.000) 0.004 28.839 ( -0.000 -0.222 0.000) 0.222 28.840 ( 0.000 -0.228 -0.000) 0.228 29.660 ( 0.000 4.201 0.000) 4.201 29.746 ( 0.000 -3.996 0.000) 3.996 ======================= Grid point 55 (19/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -3.954 0.000 41.531) 41.719 0.934 ( -1.586 0.000 45.859) 45.886 1.739 ( -10.761 0.000 76.680) 77.431 2.035 ( -2.804 0.000 12.803) 13.107 2.111 ( -0.352 0.000 3.553) 3.570 2.431 ( 12.622 0.000 6.611) 14.248 2.583 ( 3.614 0.000 13.052) 13.543 2.771 ( 2.187 0.000 7.121) 7.449 3.006 ( 3.645 0.000 -13.094) 13.592 3.148 ( 6.510 0.000 -6.393) 9.124 3.398 ( -1.741 0.000 5.139) 5.426 3.667 ( -0.341 0.000 -7.024) 7.032 3.668 ( -4.786 0.000 -4.874) 6.831 4.008 ( 6.223 0.000 4.739) 7.822 4.104 ( 0.748 0.000 -14.002) 14.022 4.122 ( 0.225 0.000 -11.203) 11.205 4.405 ( -0.828 0.000 -5.402) 5.465 4.728 ( -8.776 0.000 11.544) 14.501 4.755 ( 0.268 0.000 15.326) 15.329 4.825 ( 9.140 0.000 6.257) 11.077 5.114 ( -0.529 0.000 8.285) 8.302 5.153 ( -2.266 0.000 -0.243) 2.279 5.338 ( 2.644 0.000 -4.711) 5.403 5.630 ( -8.385 0.000 8.580) 11.997 6.005 ( -1.942 0.000 -6.312) 6.604 6.053 ( 13.298 0.000 -4.661) 14.092 6.112 ( -5.324 0.000 -18.255) 19.015 6.282 ( 2.290 0.000 2.823) 3.635 6.413 ( -0.550 0.000 -17.536) 17.544 6.506 ( -0.782 0.000 -12.712) 12.736 6.550 ( 5.049 0.000 1.484) 5.263 6.563 ( -11.232 0.000 3.715) 11.831 6.753 ( -2.561 0.000 8.576) 8.950 6.965 ( -0.322 0.000 -2.309) 2.332 7.004 ( -19.311 0.000 12.599) 23.058 7.441 ( 6.728 0.000 -2.259) 7.097 7.516 ( -2.702 0.000 8.005) 8.449 7.648 ( 6.434 0.000 -16.806) 17.995 7.799 ( 0.521 0.000 12.114) 12.125 8.042 ( -5.397 0.000 -10.952) 12.209 8.059 ( 3.957 0.000 16.539) 17.006 8.205 ( 1.387 0.000 15.050) 15.114 8.372 ( 4.709 0.000 -8.571) 9.779 8.650 ( 0.362 0.000 -18.755) 18.759 8.759 ( -1.681 0.000 4.258) 4.578 9.181 ( 6.715 0.000 5.552) 8.713 9.304 ( -8.574 0.000 -0.797) 8.611 9.429 ( -3.561 0.000 -16.515) 16.894 9.498 ( 0.421 0.000 -1.222) 1.293 9.587 ( 9.578 0.000 0.557) 9.594 9.827 ( -5.896 0.000 -22.853) 23.601 10.042 ( -3.083 0.000 2.734) 4.121 10.324 ( 6.668 0.000 -5.225) 8.471 10.376 ( -7.738 0.000 1.091) 7.815 10.513 ( -3.534 0.000 -0.716) 3.606 10.719 ( 6.006 0.000 2.652) 6.565 10.756 ( 0.519 0.000 -1.636) 1.716 10.970 ( 3.536 0.000 -6.508) 7.406 11.029 ( -3.825 0.000 9.449) 10.194 11.137 ( -8.902 0.000 0.160) 8.904 11.299 ( 13.514 0.000 -3.179) 13.882 11.354 ( -6.246 0.000 -1.852) 6.515 11.655 ( -21.736 0.000 0.006) 21.736 11.874 ( 1.789 0.000 -5.586) 5.866 11.977 ( -3.080 0.000 -6.322) 7.033 12.004 ( -1.381 0.000 9.182) 9.286 12.218 ( 0.889 0.000 21.153) 21.171 12.290 ( -0.090 0.000 9.790) 9.790 12.380 ( -0.794 0.000 -3.555) 3.642 12.539 ( 12.415 0.000 -3.140) 12.805 12.545 ( 14.367 0.000 4.889) 15.177 12.730 ( -2.378 0.000 -5.163) 5.684 12.902 ( -9.859 0.000 1.960) 10.052 13.085 ( 10.294 0.000 2.124) 10.511 13.174 ( -1.814 0.000 -7.879) 8.085 13.479 ( 4.619 0.000 5.445) 7.140 13.687 ( 5.625 0.000 5.371) 7.778 13.711 ( -14.061 0.000 3.773) 14.558 14.020 ( 0.035 0.000 -9.132) 9.132 14.118 ( 1.862 0.000 -1.187) 2.208 14.217 ( 1.854 0.000 -7.512) 7.737 14.789 ( 3.827 0.000 -19.737) 20.105 15.272 ( 7.221 0.000 2.349) 7.594 15.435 ( 1.887 0.000 3.849) 4.287 15.518 ( -9.011 0.000 6.719) 11.240 15.650 ( -4.249 0.000 0.438) 4.272 15.707 ( -0.911 0.000 1.281) 1.572 15.833 ( -0.951 0.000 -2.975) 3.123 15.986 ( -1.703 0.000 12.189) 12.307 16.104 ( 7.608 0.000 8.859) 11.678 16.304 ( -0.418 0.000 -5.628) 5.644 17.003 ( 1.150 0.000 2.218) 2.498 17.013 ( 0.435 0.000 1.631) 1.688 17.286 ( 1.361 0.000 26.026) 26.061 17.593 ( -0.284 0.000 -17.208) 17.211 18.985 ( -2.282 0.000 -15.152) 15.323 19.962 ( 3.862 0.000 3.010) 4.897 20.050 ( -5.094 0.000 6.531) 8.282 20.267 ( 3.235 0.000 -3.204) 4.553 20.413 ( -3.939 0.000 4.451) 5.944 20.433 ( -4.147 0.000 -1.289) 4.343 20.457 ( 4.200 0.000 1.585) 4.489 20.569 ( -3.646 0.000 -4.094) 5.482 20.787 ( 6.195 0.000 -2.665) 6.744 20.788 ( -1.404 0.000 0.161) 1.413 20.937 ( 0.021 0.000 3.088) 3.088 20.966 ( -2.971 0.000 -2.640) 3.974 21.396 ( 6.199 0.000 -13.419) 14.781 21.471 ( -2.280 0.000 -1.305) 2.627 21.572 ( -4.613 0.000 -7.124) 8.487 21.616 ( 1.907 0.000 1.136) 2.220 21.665 ( -0.201 0.000 4.979) 4.983 21.702 ( -1.780 0.000 2.491) 3.061 21.785 ( 0.098 0.000 -0.759) 0.765 21.951 ( 10.490 0.000 0.451) 10.499 21.989 ( 1.542 0.000 -4.344) 4.609 22.373 ( -3.541 0.000 -3.115) 4.716 22.422 ( 2.516 0.000 -6.071) 6.572 22.780 ( 7.218 0.000 9.896) 12.249 22.871 ( -6.590 0.000 0.303) 6.597 23.004 ( 2.206 0.000 4.962) 5.430 23.011 ( -11.051 0.000 5.397) 12.299 23.198 ( 19.153 0.000 5.618) 19.960 23.366 ( 9.769 0.000 -1.536) 9.890 23.366 ( -6.972 0.000 0.559) 6.994 24.085 ( -2.534 0.000 -7.030) 7.473 24.441 ( -6.735 0.000 2.980) 7.365 24.558 ( 0.612 0.000 5.661) 5.694 24.580 ( -1.294 0.000 0.090) 1.297 24.930 ( -3.127 0.000 -5.615) 6.427 25.063 ( 1.382 0.000 1.191) 1.824 25.114 ( -0.649 0.000 -0.067) 0.652 25.216 ( 22.333 0.000 0.550) 22.340 25.472 ( 0.064 0.000 -6.988) 6.988 25.740 ( 0.859 0.000 0.516) 1.002 25.781 ( -0.632 0.000 -0.640) 0.900 26.007 ( -3.365 0.000 -0.332) 3.381 26.025 ( -0.023 0.000 3.273) 3.273 26.184 ( -5.421 0.000 8.053) 9.708 26.189 ( 2.803 0.000 -0.079) 2.804 26.396 ( 1.744 0.000 -4.906) 5.207 26.564 ( -16.226 0.000 2.573) 16.429 26.580 ( 5.196 0.000 3.276) 6.143 26.696 ( 1.169 0.000 -3.251) 3.455 26.778 ( -5.246 0.000 -2.885) 5.987 26.873 ( -0.389 0.000 -4.598) 4.615 26.889 ( -4.156 0.000 3.927) 5.718 27.018 ( 6.396 0.000 -2.208) 6.767 27.176 ( 22.208 0.000 1.333) 22.248 27.240 ( -4.740 0.000 0.681) 4.789 27.670 ( -3.732 0.000 2.942) 4.752 27.996 ( 10.875 0.000 -9.857) 14.677 28.597 ( -6.479 0.000 18.886) 19.966 29.576 ( 2.152 0.000 -9.581) 9.819 29.919 ( 4.330 0.000 1.208) 4.496 29.982 ( -31.328 0.000 -0.909) 31.341 ======================= Grid point 56 (20/78) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 16.113 0.000 28.175) 32.457 1.638 ( 27.244 0.000 33.354) 43.067 1.889 ( -8.528 0.000 8.878) 12.310 2.162 ( 3.097 0.000 4.249) 5.258 2.451 ( 16.462 0.000 7.099) 17.928 2.620 ( 5.332 0.000 -2.821) 6.033 2.828 ( -0.382 0.000 4.909) 4.924 3.101 ( 17.615 0.000 -5.798) 18.545 3.135 ( 20.988 0.000 57.048) 60.786 3.284 ( 15.384 0.000 -5.739) 16.420 3.446 ( 11.011 0.000 -0.533) 11.024 3.626 ( 3.703 0.000 -4.002) 5.452 3.716 ( 4.190 0.000 3.683) 5.579 4.029 ( 2.229 0.000 -14.328) 14.501 4.042 ( 8.974 0.000 -15.296) 17.734 4.204 ( 13.171 0.000 4.279) 13.849 4.307 ( -3.324 0.000 -5.920) 6.790 4.728 ( -7.226 0.000 14.678) 16.360 4.861 ( -4.877 0.000 12.267) 13.201 5.073 ( -4.255 0.000 2.429) 4.899 5.128 ( 9.820 0.000 10.619) 14.464 5.131 ( 0.757 0.000 -3.528) 3.608 5.372 ( 11.563 0.000 -9.704) 15.095 5.622 ( -4.065 0.000 13.105) 13.721 5.733 ( -7.899 0.000 -19.717) 21.240 5.885 ( -1.981 0.000 -23.746) 23.829 6.148 ( -7.427 0.000 2.426) 7.813 6.196 ( -4.170 0.000 -11.589) 12.317 6.338 ( 8.669 0.000 -1.572) 8.811 6.601 ( 5.336 0.000 1.219) 5.474 6.643 ( 6.088 0.000 19.914) 20.824 6.647 ( 23.075 0.000 -7.289) 24.199 6.813 ( -12.863 0.000 14.552) 19.423 6.990 ( 10.750 0.000 7.931) 13.359 6.991 ( 5.388 0.000 -8.039) 9.678 7.487 ( 0.701 0.000 -24.906) 24.916 7.546 ( -5.167 0.000 11.965) 13.033 7.550 ( 7.178 0.000 -1.960) 7.441 7.812 ( -3.024 0.000 -16.864) 17.133 7.892 ( -2.215 0.000 11.636) 11.845 8.279 ( -6.124 0.000 -10.045) 11.765 8.350 ( 5.354 0.000 24.668) 25.242 8.390 ( -1.934 0.000 20.230) 20.322 8.488 ( -0.235 0.000 -18.409) 18.410 8.739 ( -1.801 0.000 8.584) 8.771 8.960 ( -18.344 0.000 -12.857) 22.401 9.195 ( 0.028 0.000 -13.002) 13.002 9.321 ( 6.490 0.000 -14.325) 15.727 9.590 ( -1.140 0.000 -7.146) 7.236 9.634 ( 13.264 0.000 -3.661) 13.760 9.913 ( 17.129 0.000 11.029) 20.373 10.050 ( 3.632 0.000 4.345) 5.663 10.319 ( -0.180 0.000 -2.972) 2.978 10.425 ( 4.859 0.000 2.479) 5.455 10.524 ( 5.522 0.000 -5.338) 7.680 10.701 ( -2.709 0.000 -13.472) 13.741 10.846 ( 1.521 0.000 2.650) 3.056 10.862 ( -3.078 0.000 -8.529) 9.067 11.062 ( 4.505 0.000 7.296) 8.575 11.072 ( -2.566 0.000 -2.839) 3.827 11.259 ( 0.386 0.000 4.941) 4.956 11.267 ( -20.916 0.000 8.115) 22.435 11.565 ( 9.518 0.000 3.665) 10.199 11.850 ( -3.581 0.000 0.225) 3.588 11.920 ( 1.054 0.000 1.021) 1.467 12.019 ( -8.351 0.000 4.937) 9.701 12.245 ( -4.363 0.000 1.662) 4.668 12.292 ( -3.164 0.000 4.138) 5.209 12.488 ( 4.002 0.000 -5.223) 6.580 12.625 ( -3.373 0.000 -9.986) 10.541 12.695 ( 4.834 0.000 10.917) 11.940 12.738 ( 1.650 0.000 1.532) 2.251 12.821 ( 9.453 0.000 2.676) 9.824 13.133 ( 0.386 0.000 -3.712) 3.732 13.196 ( 2.866 0.000 7.896) 8.400 13.518 ( -12.217 0.000 5.886) 13.561 13.640 ( 7.251 0.000 -1.421) 7.389 13.788 ( 1.635 0.000 2.840) 3.277 13.895 ( -3.081 0.000 -11.002) 11.425 14.186 ( 5.514 0.000 0.754) 5.565 14.189 ( 3.188 0.000 -9.302) 9.833 14.581 ( -5.514 0.000 -19.024) 19.807 15.336 ( -7.861 0.000 2.806) 8.347 15.355 ( -0.306 0.000 6.817) 6.824 15.511 ( -5.279 0.000 2.849) 5.999 15.626 ( 0.539 0.000 3.737) 3.775 15.673 ( -2.059 0.000 -3.787) 4.310 15.819 ( 1.807 0.000 0.684) 1.932 16.073 ( -0.923 0.000 11.896) 11.932 16.298 ( 3.919 0.000 -7.410) 8.382 16.352 ( 5.768 0.000 12.841) 14.077 16.995 ( -3.438 0.000 0.355) 3.456 17.021 ( -2.026 0.000 2.444) 3.174 17.300 ( -10.659 0.000 -23.049) 25.395 17.538 ( -7.654 0.000 35.079) 35.905 18.619 ( -16.483 0.000 -25.677) 30.512 20.021 ( -2.968 0.000 4.007) 4.986 20.109 ( 5.485 0.000 5.151) 7.524 20.220 ( -2.900 0.000 -7.659) 8.190 20.329 ( -6.418 0.000 3.171) 7.158 20.394 ( -2.100 0.000 3.181) 3.812 20.496 ( 0.337 0.000 -5.424) 5.434 20.595 ( 7.440 0.000 3.907) 8.403 20.761 ( -1.245 0.000 1.485) 1.938 20.848 ( 1.761 0.000 -1.085) 2.068 20.903 ( -1.934 0.000 -3.106) 3.659 20.966 ( -0.654 0.000 4.224) 4.275 21.290 ( -1.130 0.000 -12.848) 12.898 21.398 ( -4.916 0.000 -0.009) 4.916 21.440 ( -3.718 0.000 -4.840) 6.103 21.667 ( -4.708 0.000 2.657) 5.406 21.668 ( -3.266 0.000 0.171) 3.270 21.696 ( 4.614 0.000 2.418) 5.209 21.786 ( 1.918 0.000 -2.292) 2.989 21.940 ( -2.528 0.000 -1.033) 2.731 22.089 ( 4.990 0.000 -1.479) 5.204 22.193 ( -9.880 0.000 -5.428) 11.273 22.330 ( -7.154 0.000 -1.942) 7.412 22.774 ( -6.513 0.000 3.137) 7.229 22.915 ( -5.325 0.000 3.690) 6.479 23.041 ( 11.170 0.000 -1.128) 11.227 23.126 ( 8.312 0.000 -1.947) 8.537 23.341 ( 1.118 0.000 9.158) 9.226 23.502 ( 15.140 0.000 2.563) 15.356 23.511 ( 2.977 0.000 2.463) 3.864 24.053 ( 10.890 0.000 -10.578) 15.182 24.448 ( 0.207 0.000 5.921) 5.924 24.559 ( -0.765 0.000 -1.252) 1.467 24.672 ( 4.711 0.000 7.454) 8.818 24.832 ( -1.023 0.000 -6.550) 6.630 25.087 ( -1.458 0.000 -0.522) 1.549 25.103 ( 2.145 0.000 -0.537) 2.212 25.373 ( 2.363 0.000 -3.618) 4.322 25.419 ( 2.483 0.000 -6.959) 7.388 25.706 ( -6.161 0.000 0.317) 6.169 25.740 ( -1.488 0.000 0.520) 1.577 25.971 ( 0.215 0.000 2.003) 2.015 26.054 ( 0.416 0.000 2.041) 2.083 26.203 ( -2.660 0.000 7.688) 8.135 26.234 ( 1.485 0.000 2.646) 3.035 26.338 ( -2.264 0.000 -0.776) 2.393 26.556 ( 7.608 0.000 6.312) 9.886 26.583 ( -7.600 0.000 -1.432) 7.734 26.721 ( 0.365 0.000 3.410) 3.430 26.746 ( 3.107 0.000 -3.302) 4.534 26.821 ( 4.162 0.000 -11.802) 12.514 26.910 ( 3.611 0.000 0.189) 3.616 27.163 ( -2.415 0.000 -1.203) 2.698 27.202 ( 11.636 0.000 0.272) 11.639 27.586 ( 26.968 0.000 -10.828) 29.061 27.591 ( -7.635 0.000 1.533) 7.787 28.089 ( 11.325 0.000 -11.172) 15.908 28.685 ( -5.011 0.000 19.280) 19.920 29.501 ( 0.872 0.000 -10.179) 10.216 29.512 ( -28.100 0.000 14.524) 31.632 29.979 ( -0.399 0.000 4.061) 4.081 ======================= Grid point 57 (21/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 1.121 0.000 6.069) 6.172 1.763 ( -8.213 0.000 3.974) 9.124 2.287 ( 5.201 0.000 19.617) 20.294 2.381 ( 16.914 0.000 8.294) 18.839 2.697 ( 13.323 0.000 0.145) 13.324 2.770 ( 19.743 0.000 0.056) 19.744 3.001 ( 11.387 0.000 12.018) 16.556 3.296 ( 9.682 0.000 -9.978) 13.904 3.495 ( 10.464 0.000 -4.349) 11.332 3.549 ( 17.864 0.000 0.770) 17.880 3.636 ( 0.556 0.000 -7.057) 7.079 3.715 ( 5.244 0.000 -0.543) 5.272 3.910 ( 3.901 0.000 -15.120) 15.616 4.065 ( 14.431 0.000 11.375) 18.375 4.140 ( 9.833 0.000 2.401) 10.122 4.246 ( 2.352 0.000 -1.649) 2.873 4.705 ( 1.523 0.000 10.339) 10.450 4.730 ( 19.644 0.000 16.714) 25.792 4.834 ( -7.030 0.000 5.523) 8.940 4.984 ( -1.035 0.000 10.319) 10.371 5.102 ( -0.045 0.000 -3.093) 3.093 5.402 ( 7.394 0.000 -34.418) 35.204 5.453 ( 6.643 0.000 15.545) 16.905 5.567 ( 2.108 0.000 0.574) 2.184 5.667 ( 7.684 0.000 -18.775) 20.286 5.711 ( -0.175 0.000 14.745) 14.746 6.026 ( -4.903 0.000 -8.511) 9.822 6.081 ( -2.404 0.000 2.536) 3.494 6.313 ( -10.608 0.000 4.428) 11.495 6.605 ( -10.912 0.000 13.487) 17.349 6.780 ( -12.104 0.000 -21.420) 24.603 6.861 ( 4.117 0.000 8.563) 9.501 6.991 ( 19.184 0.000 -6.974) 20.412 7.097 ( 21.472 0.000 10.105) 23.731 7.319 ( 15.420 0.000 14.231) 20.983 7.363 ( 4.111 0.000 -16.170) 16.685 7.549 ( 0.153 0.000 -12.230) 12.231 7.563 ( -6.688 0.000 12.962) 14.586 7.696 ( 11.454 0.000 -20.028) 23.072 7.985 ( 1.548 0.000 11.223) 11.329 8.079 ( 0.744 0.000 -14.880) 14.898 8.305 ( -3.014 0.000 -6.544) 7.205 8.486 ( -1.384 0.000 14.606) 14.672 8.543 ( -9.421 0.000 -16.056) 18.616 8.708 ( 7.649 0.000 22.906) 24.150 8.935 ( 5.010 0.000 19.517) 20.150 9.154 ( 7.035 0.000 -9.139) 11.533 9.273 ( 7.317 0.000 -18.726) 20.105 9.583 ( 1.035 0.000 2.092) 2.334 9.753 ( 6.819 0.000 -9.666) 11.829 10.087 ( -8.268 0.000 0.759) 8.303 10.177 ( 5.418 0.000 -3.008) 6.197 10.437 ( -11.085 0.000 1.546) 11.192 10.437 ( 14.245 0.000 0.891) 14.273 10.550 ( 9.106 0.000 -6.155) 10.991 10.616 ( 5.735 0.000 7.333) 9.309 10.761 ( -5.641 0.000 -3.896) 6.856 10.766 ( 0.133 0.000 -9.775) 9.776 11.033 ( 5.760 0.000 -4.654) 7.405 11.051 ( -12.864 0.000 10.003) 16.296 11.381 ( 14.367 0.000 14.270) 20.249 11.394 ( 7.875 0.000 1.649) 8.045 11.729 ( 2.445 0.000 4.855) 5.436 11.788 ( -3.451 0.000 0.656) 3.513 11.802 ( -8.680 0.000 -8.952) 12.469 11.968 ( -0.948 0.000 5.938) 6.014 12.203 ( -7.543 0.000 3.133) 8.168 12.267 ( -2.498 0.000 0.418) 2.532 12.381 ( -10.328 0.000 1.626) 10.455 12.496 ( -3.978 0.000 0.837) 4.065 12.826 ( 12.761 0.000 -6.721) 14.423 12.919 ( 6.785 0.000 6.480) 9.383 13.017 ( 13.008 0.000 -3.348) 13.432 13.143 ( 3.513 0.000 -2.976) 4.604 13.352 ( 1.747 0.000 12.438) 12.560 13.393 ( -2.806 0.000 -3.390) 4.401 13.670 ( 1.009 0.000 -9.559) 9.612 13.814 ( -1.529 0.000 3.867) 4.158 13.828 ( 3.217 0.000 9.279) 9.821 14.133 ( 0.969 0.000 -8.474) 8.529 14.268 ( 2.748 0.000 -0.571) 2.807 14.310 ( -5.382 0.000 -14.839) 15.785 15.252 ( -8.963 0.000 5.468) 10.499 15.359 ( -7.744 0.000 4.635) 9.025 15.445 ( 1.447 0.000 -6.060) 6.231 15.597 ( 0.349 0.000 -7.106) 7.115 15.667 ( -1.677 0.000 5.109) 5.377 15.901 ( 3.562 0.000 5.583) 6.622 16.146 ( -10.100 0.000 20.675) 23.010 16.297 ( 4.373 0.000 -5.717) 7.198 16.540 ( 6.201 0.000 5.998) 8.627 16.820 ( -17.163 0.000 -24.753) 30.121 16.915 ( -5.478 0.000 -0.442) 5.495 16.984 ( -4.573 0.000 1.158) 4.717 17.659 ( -18.136 0.000 34.007) 38.541 17.998 ( -23.753 0.000 -29.075) 37.544 19.997 ( -4.154 0.000 3.039) 5.147 20.085 ( -4.596 0.000 -4.593) 6.498 20.188 ( -0.520 0.000 0.346) 0.625 20.265 ( -4.637 0.000 1.773) 4.965 20.407 ( 0.268 0.000 2.937) 2.949 20.456 ( -0.741 0.000 -3.147) 3.233 20.719 ( 5.153 0.000 -0.709) 5.202 20.777 ( -6.340 0.000 -4.267) 7.643 20.824 ( 2.516 0.000 5.657) 6.192 20.836 ( -2.447 0.000 -4.358) 4.998 21.015 ( 1.230 0.000 5.596) 5.730 21.206 ( 1.566 0.000 -4.563) 4.824 21.327 ( -5.123 0.000 4.285) 6.679 21.369 ( 0.107 0.000 -1.603) 1.607 21.548 ( -7.902 0.000 -1.365) 8.019 21.626 ( -1.231 0.000 -0.013) 1.231 21.794 ( 2.836 0.000 -4.741) 5.525 21.797 ( 1.911 0.000 5.902) 6.203 21.901 ( -4.626 0.000 2.969) 5.497 22.051 ( 1.265 0.000 -4.067) 4.259 22.100 ( -1.924 0.000 -2.231) 2.946 22.199 ( -5.463 0.000 0.017) 5.463 22.676 ( -7.927 0.000 1.014) 7.992 22.764 ( -10.403 0.000 -5.252) 11.654 23.181 ( 5.385 0.000 0.960) 5.470 23.205 ( 5.802 0.000 -7.561) 9.530 23.489 ( -4.521 0.000 -0.697) 4.574 23.494 ( 8.250 0.000 3.263) 8.872 23.847 ( 16.426 0.000 10.573) 19.535 24.238 ( 17.939 0.000 -6.598) 19.114 24.523 ( -1.424 0.000 -2.221) 2.638 24.526 ( 2.215 0.000 5.478) 5.909 24.785 ( 2.513 0.000 -5.659) 6.192 24.852 ( 7.462 0.000 7.782) 10.782 25.059 ( -1.316 0.000 -0.359) 1.364 25.094 ( -0.485 0.000 -4.146) 4.174 25.342 ( -2.286 0.000 -0.936) 2.470 25.459 ( 8.957 0.000 -4.835) 10.179 25.625 ( -3.904 0.000 0.165) 3.907 25.711 ( -2.077 0.000 0.675) 2.184 26.016 ( 2.750 0.000 0.821) 2.869 26.084 ( 1.787 0.000 0.694) 1.917 26.208 ( -1.887 0.000 2.041) 2.780 26.303 ( 2.351 0.000 5.079) 5.597 26.338 ( 0.453 0.000 2.892) 2.928 26.491 ( -2.438 0.000 -1.192) 2.714 26.692 ( -0.878 0.000 -6.061) 6.124 26.708 ( 0.875 0.000 1.832) 2.031 26.790 ( 6.180 0.000 5.499) 8.272 26.834 ( 4.608 0.000 -8.090) 9.310 26.971 ( 2.566 0.000 1.397) 2.922 27.129 ( 1.902 0.000 -1.885) 2.678 27.369 ( 3.073 0.000 0.354) 3.094 27.484 ( -2.750 0.000 1.023) 2.934 27.876 ( 19.615 0.000 -9.767) 21.912 28.159 ( 9.898 0.000 -11.242) 14.979 28.788 ( -4.124 0.000 17.672) 18.147 29.261 ( -18.435 0.000 12.581) 22.319 29.434 ( 2.692 0.000 -9.011) 9.405 29.984 ( -3.804 0.000 4.470) 5.869 ======================= Grid point 58 (22/78) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -1.632 0.000 -1.182) 2.015 1.683 ( -10.528 0.000 11.260) 15.416 2.261 ( -7.993 0.000 -1.626) 8.157 2.758 ( 14.534 0.000 6.031) 15.736 2.966 ( 12.530 0.000 1.713) 12.646 3.110 ( -4.713 0.000 -13.660) 14.451 3.137 ( 19.761 0.000 -2.817) 19.961 3.392 ( 15.826 0.000 -7.161) 17.371 3.552 ( -0.539 0.000 -3.282) 3.326 3.646 ( 14.101 0.000 -4.398) 14.770 3.786 ( 7.819 0.000 4.346) 8.945 3.849 ( 8.381 0.000 4.111) 9.335 4.026 ( 15.951 0.000 2.587) 16.159 4.207 ( -0.701 0.000 0.234) 0.739 4.352 ( 9.332 0.000 3.149) 9.848 4.370 ( 9.837 0.000 4.801) 10.945 4.643 ( -0.200 0.000 2.418) 2.426 4.762 ( -6.447 0.000 3.819) 7.493 4.931 ( -1.994 0.000 7.401) 7.665 5.051 ( -4.207 0.000 -2.010) 4.663 5.214 ( 2.230 0.000 -18.560) 18.694 5.350 ( 2.554 0.000 9.783) 10.111 5.454 ( 0.919 0.000 -17.899) 17.923 5.646 ( 3.676 0.000 14.136) 14.606 5.840 ( 17.027 0.000 -7.956) 18.794 5.854 ( -4.214 0.000 7.050) 8.213 5.921 ( 1.875 0.000 -1.596) 2.462 6.163 ( -2.898 0.000 2.894) 4.096 6.216 ( 2.542 0.000 19.233) 19.401 6.363 ( -10.240 0.000 -18.806) 21.414 6.561 ( -9.214 0.000 13.801) 16.594 7.014 ( 0.503 0.000 12.487) 12.497 7.053 ( 0.066 0.000 -15.134) 15.134 7.084 ( -12.541 0.000 -10.976) 16.666 7.410 ( 8.494 0.000 6.348) 10.604 7.462 ( -2.023 0.000 -6.242) 6.562 7.598 ( -5.963 0.000 18.865) 19.785 7.700 ( 3.608 0.000 -19.894) 20.218 7.734 ( 8.858 0.000 16.044) 18.327 8.078 ( 15.578 0.000 -5.195) 16.421 8.198 ( 14.219 0.000 6.425) 15.603 8.261 ( 1.925 0.000 -3.755) 4.220 8.531 ( 24.439 0.000 -18.626) 30.728 8.688 ( 12.656 0.000 6.922) 14.425 9.026 ( 3.150 0.000 19.096) 19.354 9.126 ( 0.933 0.000 7.734) 7.790 9.141 ( 2.955 0.000 -13.164) 13.492 9.302 ( 15.314 0.000 -13.617) 20.492 9.642 ( 3.486 0.000 2.157) 4.099 9.757 ( 6.237 0.000 -0.997) 6.316 9.896 ( -13.398 0.000 5.487) 14.478 10.136 ( -1.171 0.000 -11.845) 11.903 10.221 ( -16.834 0.000 3.647) 17.224 10.484 ( -13.564 0.000 -1.723) 13.673 10.623 ( 3.930 0.000 -9.993) 10.738 10.715 ( 9.567 0.000 2.372) 9.857 10.780 ( 12.268 0.000 -2.675) 12.557 10.791 ( -4.556 0.000 13.934) 14.660 11.087 ( 6.985 0.000 -1.067) 7.066 11.162 ( 9.497 0.000 -1.392) 9.599 11.492 ( 7.886 0.000 -10.128) 12.837 11.553 ( -0.573 0.000 -0.564) 0.804 11.743 ( 6.250 0.000 7.633) 9.866 11.772 ( -0.091 0.000 2.769) 2.771 11.860 ( 8.735 0.000 1.430) 8.852 11.953 ( -7.204 0.000 4.534) 8.512 12.060 ( -7.117 0.000 -2.919) 7.692 12.149 ( -7.789 0.000 -3.554) 8.562 12.320 ( -5.374 0.000 12.222) 13.352 12.406 ( -11.310 0.000 3.733) 11.910 13.027 ( -2.645 0.000 -13.681) 13.934 13.042 ( 18.544 0.000 -9.038) 20.630 13.074 ( 5.507 0.000 4.259) 6.962 13.233 ( 16.975 0.000 -3.833) 17.402 13.447 ( -2.523 0.000 9.084) 9.428 13.451 ( 6.626 0.000 0.202) 6.629 13.622 ( 6.256 0.000 -4.745) 7.851 13.825 ( -2.097 0.000 4.489) 4.955 14.101 ( 3.114 0.000 -3.263) 4.510 14.147 ( 0.870 0.000 -9.308) 9.349 14.152 ( 9.136 0.000 21.728) 23.570 14.270 ( 4.260 0.000 -2.533) 4.956 15.123 ( -11.613 0.000 5.599) 12.892 15.174 ( -13.947 0.000 -2.304) 14.136 15.426 ( 3.896 0.000 -11.572) 12.210 15.537 ( -0.781 0.000 -6.180) 6.229 15.645 ( -6.440 0.000 3.686) 7.420 15.971 ( -1.891 0.000 -4.041) 4.461 16.129 ( -16.782 0.000 25.239) 30.310 16.315 ( -14.058 0.000 -14.513) 20.205 16.357 ( 6.353 0.000 -2.156) 6.709 16.676 ( 5.595 0.000 0.358) 5.607 16.817 ( -5.303 0.000 -0.188) 5.306 16.906 ( -5.094 0.000 -0.349) 5.106 17.330 ( -21.848 0.000 -24.436) 32.779 17.571 ( -25.062 0.000 24.584) 35.106 19.923 ( -6.467 0.000 0.834) 6.521 19.989 ( -3.337 0.000 -1.558) 3.683 20.165 ( -1.175 0.000 1.569) 1.960 20.206 ( -4.484 0.000 1.972) 4.899 20.403 ( -3.728 0.000 0.743) 3.802 20.450 ( 1.327 0.000 2.117) 2.498 20.616 ( -7.583 0.000 -2.321) 7.931 20.744 ( 0.097 0.000 -2.492) 2.493 20.744 ( -1.445 0.000 -5.796) 5.974 20.856 ( -4.765 0.000 1.281) 4.934 21.077 ( 1.224 0.000 3.522) 3.728 21.218 ( 3.339 0.000 -3.301) 4.695 21.333 ( -2.435 0.000 8.421) 8.766 21.428 ( 5.595 0.000 2.535) 6.143 21.474 ( 0.576 0.000 0.668) 0.882 21.634 ( 2.036 0.000 0.765) 2.175 21.788 ( 2.255 0.000 -6.158) 6.558 21.821 ( -5.131 0.000 6.413) 8.213 21.905 ( 1.766 0.000 2.986) 3.469 22.000 ( -4.945 0.000 -2.392) 5.493 22.115 ( 6.450 0.000 -0.685) 6.487 22.153 ( -0.827 0.000 -1.899) 2.071 22.498 ( -13.696 0.000 -5.256) 14.670 22.527 ( -7.974 0.000 -3.144) 8.571 23.201 ( 3.731 0.000 -7.221) 8.128 23.254 ( 2.323 0.000 0.783) 2.452 23.394 ( -4.719 0.000 -1.571) 4.973 23.656 ( 7.624 0.000 1.460) 7.763 24.195 ( 12.304 0.000 9.315) 15.432 24.434 ( 6.671 0.000 -4.130) 7.846 24.506 ( 4.047 0.000 0.767) 4.119 24.618 ( 1.962 0.000 5.798) 6.121 24.798 ( 5.525 0.000 -5.956) 8.123 25.023 ( 2.173 0.000 -1.208) 2.486 25.044 ( 0.157 0.000 -3.940) 3.943 25.071 ( 4.791 0.000 7.353) 8.776 25.289 ( -3.023 0.000 -0.567) 3.075 25.569 ( -2.999 0.000 0.135) 3.002 25.575 ( 8.239 0.000 -5.466) 9.887 25.704 ( 0.860 0.000 1.674) 1.882 26.069 ( 3.178 0.000 -0.309) 3.193 26.126 ( 2.635 0.000 -0.008) 2.635 26.202 ( 0.181 0.000 0.145) 0.232 26.380 ( 1.297 0.000 2.089) 2.458 26.394 ( 2.415 0.000 3.095) 3.926 26.444 ( -0.571 0.000 -3.379) 3.427 26.667 ( 2.003 0.000 -0.921) 2.204 26.701 ( -2.476 0.000 0.887) 2.630 26.785 ( -1.290 0.000 -5.566) 5.713 26.911 ( 2.078 0.000 3.113) 3.743 27.032 ( 2.474 0.000 2.111) 3.252 27.183 ( 4.909 0.000 -3.150) 5.833 27.310 ( -6.751 0.000 6.603) 9.443 27.541 ( 4.131 0.000 -0.519) 4.164 28.073 ( 13.807 0.000 -7.816) 15.866 28.217 ( 8.943 0.000 -9.445) 13.008 28.872 ( -4.071 0.000 13.594) 14.190 29.106 ( -12.758 0.000 9.572) 15.949 29.426 ( 5.723 0.000 -7.653) 9.557 29.938 ( -4.745 0.000 1.210) 4.897 ======================= Grid point 59 (23/78) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -12.102 0.000 6.047) 13.529 1.699 ( 4.068 0.000 2.749) 4.910 2.151 ( -4.711 0.000 5.601) 7.319 2.758 ( -5.586 0.000 -7.578) 9.414 3.110 ( 9.173 0.000 -0.794) 9.207 3.155 ( 7.600 0.000 2.263) 7.929 3.372 ( 17.779 0.000 -9.547) 20.180 3.487 ( 8.159 0.000 -10.858) 13.581 3.516 ( 2.874 0.000 -6.916) 7.489 3.742 ( -1.096 0.000 -4.264) 4.403 3.978 ( 4.839 0.000 8.386) 9.682 4.093 ( 10.564 0.000 4.398) 11.443 4.141 ( -0.709 0.000 0.339) 0.786 4.361 ( 13.063 0.000 9.666) 16.250 4.452 ( -1.498 0.000 1.533) 2.144 4.564 ( 0.862 0.000 0.778) 1.161 4.691 ( -1.628 0.000 2.305) 2.822 4.780 ( 10.057 0.000 3.675) 10.707 4.913 ( -8.591 0.000 -3.133) 9.144 4.947 ( -2.857 0.000 6.006) 6.650 5.114 ( -0.246 0.000 -4.437) 4.443 5.319 ( -7.983 0.000 3.313) 8.643 5.402 ( 11.660 0.000 -4.769) 12.598 5.730 ( -12.101 0.000 4.422) 12.883 5.807 ( 2.419 0.000 6.687) 7.111 5.978 ( 1.484 0.000 6.475) 6.643 6.074 ( 13.876 0.000 -11.924) 18.295 6.095 ( -9.128 0.000 7.686) 11.933 6.163 ( 3.986 0.000 -2.296) 4.600 6.454 ( 2.988 0.000 9.353) 9.818 6.571 ( -8.055 0.000 16.731) 18.570 6.754 ( -10.715 0.000 -4.131) 11.484 6.984 ( 2.897 0.000 -5.431) 6.155 7.066 ( -5.972 0.000 7.704) 9.747 7.361 ( 2.111 0.000 -13.841) 14.001 7.560 ( -2.180 0.000 3.219) 3.888 7.562 ( -2.971 0.000 -0.843) 3.089 7.640 ( -6.887 0.000 14.006) 15.607 7.869 ( -1.780 0.000 5.450) 5.733 8.233 ( 0.402 0.000 -7.287) 7.298 8.369 ( 18.610 0.000 -4.508) 19.148 8.514 ( 11.430 0.000 7.485) 13.663 8.827 ( 29.088 0.000 -16.483) 33.433 8.881 ( 0.238 0.000 -9.435) 9.438 9.082 ( 10.844 0.000 -19.791) 22.567 9.124 ( 9.174 0.000 6.002) 10.963 9.302 ( -0.658 0.000 13.738) 13.753 9.422 ( 8.263 0.000 -8.830) 12.093 9.734 ( 3.940 0.000 2.831) 4.851 9.826 ( -5.619 0.000 15.475) 16.464 9.892 ( -5.341 0.000 -4.032) 6.692 9.987 ( 0.743 0.000 -1.364) 1.554 9.999 ( -4.076 0.000 5.169) 6.583 10.170 ( -20.092 0.000 -1.438) 20.143 10.604 ( 8.216 0.000 -11.888) 14.451 10.738 ( -4.631 0.000 2.401) 5.216 10.960 ( 8.123 0.000 -1.376) 8.239 11.002 ( 6.254 0.000 12.505) 13.982 11.063 ( -1.471 0.000 -4.314) 4.558 11.255 ( 3.129 0.000 -1.543) 3.489 11.488 ( 7.139 0.000 -14.705) 16.346 11.617 ( 2.652 0.000 -0.048) 2.652 11.763 ( -4.814 0.000 0.799) 4.880 11.859 ( 5.047 0.000 -7.829) 9.315 11.869 ( -2.755 0.000 -1.712) 3.243 11.985 ( 6.253 0.000 -1.169) 6.362 12.027 ( -4.587 0.000 0.174) 4.590 12.041 ( 3.097 0.000 6.938) 7.598 12.194 ( -12.515 0.000 -2.071) 12.685 12.349 ( -5.243 0.000 11.186) 12.354 12.921 ( 2.484 0.000 -0.715) 2.585 13.120 ( -4.893 0.000 -2.501) 5.495 13.224 ( 6.107 0.000 1.341) 6.252 13.457 ( 15.015 0.000 -8.307) 17.159 13.489 ( 1.761 0.000 -0.328) 1.791 13.548 ( 10.678 0.000 0.755) 10.705 13.841 ( 0.117 0.000 3.527) 3.528 13.850 ( 16.608 0.000 -0.357) 16.612 14.127 ( 1.258 0.000 0.374) 1.313 14.180 ( -2.301 0.000 1.310) 2.647 14.250 ( 14.245 0.000 2.611) 14.482 14.522 ( -2.566 0.000 3.900) 4.669 14.972 ( -11.550 0.000 2.067) 11.734 15.027 ( 2.476 0.000 8.809) 9.150 15.289 ( -10.202 0.000 -3.065) 10.652 15.446 ( -3.486 0.000 -6.400) 7.288 15.544 ( -3.915 0.000 -5.428) 6.692 15.637 ( -11.982 0.000 -16.568) 20.446 16.087 ( -14.739 0.000 20.062) 24.894 16.169 ( -2.097 0.000 -4.723) 5.168 16.442 ( 3.172 0.000 -1.555) 3.532 16.709 ( -0.954 0.000 -0.770) 1.226 16.755 ( -0.062 0.000 -3.598) 3.598 16.798 ( -1.599 0.000 -5.029) 5.277 16.939 ( -6.039 0.000 -3.850) 7.162 17.333 ( -22.899 0.000 13.759) 26.715 19.836 ( -4.087 0.000 1.684) 4.421 19.943 ( -1.481 0.000 0.657) 1.620 20.142 ( -6.014 0.000 3.529) 6.973 20.178 ( -0.862 0.000 3.193) 3.307 20.378 ( -0.685 0.000 3.000) 3.077 20.466 ( -0.077 0.000 -2.084) 2.085 20.497 ( -4.965 0.000 0.003) 4.965 20.700 ( 1.286 0.000 -2.578) 2.880 20.721 ( -0.860 0.000 1.828) 2.021 20.778 ( -3.438 0.000 2.071) 4.014 21.109 ( -0.243 0.000 0.855) 0.889 21.247 ( 3.125 0.000 -2.100) 3.765 21.359 ( -3.435 0.000 5.026) 6.088 21.510 ( 1.179 0.000 0.819) 1.435 21.542 ( 4.521 0.000 0.078) 4.522 21.722 ( 2.922 0.000 -4.214) 5.128 21.744 ( 3.272 0.000 0.471) 3.306 21.812 ( -0.826 0.000 0.830) 1.171 21.922 ( -3.653 0.000 1.359) 3.898 21.927 ( -0.006 0.000 -4.500) 4.500 22.071 ( -3.310 0.000 -10.533) 11.041 22.217 ( 5.448 0.000 0.552) 5.476 22.288 ( -8.304 0.000 6.449) 10.515 22.377 ( -4.345 0.000 -4.813) 6.484 23.234 ( 4.311 0.000 0.499) 4.340 23.275 ( -0.011 0.000 -0.612) 0.612 23.322 ( -2.190 0.000 -0.028) 2.190 23.765 ( 4.057 0.000 0.108) 4.059 24.424 ( 4.789 0.000 7.640) 9.017 24.444 ( 0.558 0.000 0.133) 0.574 24.602 ( 2.272 0.000 2.093) 3.089 24.694 ( -0.113 0.000 6.264) 6.265 24.867 ( 8.753 0.000 -5.079) 10.120 25.017 ( 0.073 0.000 -0.922) 0.924 25.031 ( 1.135 0.000 -1.471) 1.858 25.159 ( -0.306 0.000 -4.935) 4.944 25.287 ( 0.877 0.000 7.367) 7.419 25.526 ( -1.987 0.000 0.408) 2.028 25.608 ( 2.926 0.000 -5.001) 5.794 25.766 ( 3.985 0.000 -0.314) 3.998 26.113 ( 2.797 0.000 -1.446) 3.148 26.163 ( 1.631 0.000 -0.369) 1.672 26.213 ( 0.727 0.000 0.139) 0.741 26.394 ( 1.144 0.000 -4.444) 4.589 26.418 ( 2.054 0.000 -0.119) 2.058 26.454 ( 0.311 0.000 1.971) 1.995 26.644 ( -4.564 0.000 -0.024) 4.564 26.659 ( -0.047 0.000 -7.476) 7.476 26.769 ( 1.548 0.000 4.376) 4.642 26.941 ( -1.186 0.000 2.783) 3.025 27.075 ( 1.523 0.000 -0.677) 1.667 27.145 ( -2.117 0.000 -5.609) 5.995 27.377 ( -0.013 0.000 13.601) 13.601 27.594 ( 1.953 0.000 2.462) 3.142 28.194 ( 8.674 0.000 -6.545) 10.866 28.281 ( 7.745 0.000 -6.671) 10.221 28.902 ( -5.182 0.000 8.529) 9.980 29.011 ( -8.579 0.000 8.053) 11.766 29.462 ( 6.433 0.000 -7.624) 9.975 29.852 ( -3.635 0.000 -4.030) 5.427 ======================= Grid point 60 (24/78) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -8.563 0.000 0.538) 8.580 1.789 ( 0.247 0.000 3.998) 4.006 2.224 ( 0.751 0.000 13.819) 13.839 2.738 ( 8.890 0.000 -0.329) 8.896 3.161 ( -1.508 0.000 -2.555) 2.967 3.257 ( 0.448 0.000 3.696) 3.724 3.452 ( -3.945 0.000 -7.486) 8.462 3.543 ( -5.282 0.000 -6.330) 8.245 3.584 ( 11.073 0.000 -4.344) 11.895 3.620 ( 11.879 0.000 -7.726) 14.171 4.008 ( -10.458 0.000 3.470) 11.018 4.063 ( -2.021 0.000 -3.192) 3.777 4.307 ( -4.560 0.000 2.626) 5.262 4.375 ( -0.411 0.000 2.297) 2.334 4.423 ( -0.097 0.000 -10.345) 10.345 4.540 ( 1.477 0.000 0.371) 1.522 4.724 ( -11.242 0.000 9.819) 14.926 4.844 ( 6.857 0.000 3.908) 7.893 4.887 ( -2.945 0.000 3.611) 4.659 4.986 ( -2.188 0.000 3.968) 4.531 5.158 ( 6.764 0.000 1.910) 7.029 5.265 ( 3.833 0.000 -0.547) 3.872 5.573 ( -10.399 0.000 5.157) 11.607 5.728 ( 14.788 0.000 14.676) 20.834 5.879 ( 0.561 0.000 -0.409) 0.694 6.005 ( -1.240 0.000 5.060) 5.210 6.006 ( -10.879 0.000 12.371) 16.473 6.189 ( 9.037 0.000 -4.939) 10.299 6.252 ( 1.751 0.000 1.656) 2.410 6.525 ( -7.595 0.000 7.992) 11.025 6.549 ( -7.722 0.000 10.205) 12.797 6.792 ( 12.496 0.000 12.652) 17.782 6.976 ( -8.739 0.000 -0.781) 8.774 7.059 ( 7.396 0.000 -4.583) 8.701 7.366 ( 9.847 0.000 2.398) 10.135 7.407 ( -9.744 0.000 -1.325) 9.834 7.592 ( -11.157 0.000 4.526) 12.040 7.602 ( 5.956 0.000 2.847) 6.602 7.849 ( -4.865 0.000 1.265) 5.027 8.156 ( 1.107 0.000 -8.668) 8.739 8.568 ( 9.979 0.000 -3.700) 10.643 8.582 ( -15.011 0.000 -20.732) 25.596 8.627 ( -5.679 0.000 -2.451) 6.186 9.163 ( 22.639 0.000 -23.698) 32.774 9.166 ( -5.739 0.000 -1.156) 5.854 9.196 ( 26.359 0.000 -5.371) 26.901 9.323 ( -10.774 0.000 2.881) 11.153 9.366 ( -7.925 0.000 -0.399) 7.935 9.733 ( 3.880 0.000 -7.286) 8.254 9.761 ( -15.300 0.000 -0.062) 15.300 9.829 ( -5.252 0.000 4.682) 7.036 9.994 ( 3.288 0.000 11.805) 12.255 10.060 ( 8.439 0.000 6.899) 10.900 10.166 ( 0.111 0.000 15.415) 15.415 10.622 ( -9.971 0.000 -2.331) 10.240 10.695 ( 11.298 0.000 -6.875) 13.226 10.924 ( -6.246 0.000 -2.000) 6.558 11.001 ( 0.198 0.000 -2.696) 2.703 11.250 ( -1.937 0.000 -0.421) 1.982 11.259 ( 6.430 0.000 9.911) 11.814 11.486 ( 10.598 0.000 -16.337) 19.473 11.605 ( -0.753 0.000 -4.441) 4.505 11.719 ( -6.072 0.000 -2.222) 6.466 11.765 ( -11.807 0.000 -15.115) 19.180 11.771 ( 3.313 0.000 -3.280) 4.662 11.915 ( 2.771 0.000 -1.804) 3.306 12.019 ( 0.665 0.000 4.129) 4.183 12.116 ( -0.433 0.000 0.261) 0.505 12.201 ( 5.965 0.000 3.606) 6.970 12.336 ( -7.635 0.000 7.610) 10.780 12.973 ( -5.808 0.000 -0.782) 5.860 13.082 ( 7.394 0.000 10.465) 12.814 13.242 ( -2.413 0.000 -2.606) 3.552 13.547 ( -0.686 0.000 3.709) 3.772 13.587 ( 9.358 0.000 -9.033) 13.007 13.675 ( 2.125 0.000 -0.212) 2.135 13.884 ( -4.817 0.000 5.320) 7.177 13.957 ( 0.741 0.000 -7.293) 7.330 14.114 ( -6.900 0.000 -0.489) 6.917 14.124 ( -1.770 0.000 -0.696) 1.901 14.494 ( 1.527 0.000 1.317) 2.017 14.525 ( 3.466 0.000 9.732) 10.331 14.860 ( 11.112 0.000 -5.032) 12.198 14.903 ( -13.782 0.000 -5.509) 14.842 15.142 ( -11.139 0.000 7.392) 13.368 15.397 ( -0.427 0.000 -13.570) 13.577 15.408 ( 7.726 0.000 -4.538) 8.961 15.777 ( 22.394 0.000 12.653) 25.721 15.996 ( -6.043 0.000 -12.880) 14.227 16.000 ( -13.305 0.000 12.558) 18.296 16.478 ( 5.971 0.000 -3.635) 6.990 16.677 ( -1.285 0.000 -9.778) 9.862 16.713 ( 1.491 0.000 0.750) 1.669 16.794 ( -1.923 0.000 0.673) 2.038 17.005 ( 13.321 0.000 7.313) 15.197 17.109 ( -13.912 0.000 4.732) 14.694 19.833 ( 0.477 0.000 3.924) 3.953 19.940 ( -0.565 0.000 1.168) 1.297 20.107 ( -1.394 0.000 4.463) 4.676 20.182 ( -1.607 0.000 2.453) 2.933 20.396 ( -1.520 0.000 1.457) 2.105 20.428 ( -0.311 0.000 -3.511) 3.525 20.484 ( 2.093 0.000 4.681) 5.128 20.741 ( 3.465 0.000 2.626) 4.347 20.768 ( 1.754 0.000 1.177) 2.112 20.792 ( 1.131 0.000 8.129) 8.208 21.107 ( 0.044 0.000 0.626) 0.627 21.275 ( 1.532 0.000 -1.615) 2.226 21.277 ( -8.487 0.000 -1.371) 8.597 21.526 ( 0.731 0.000 -0.543) 0.910 21.537 ( -3.273 0.000 -5.138) 6.093 21.677 ( 5.460 0.000 -6.380) 8.397 21.744 ( -7.377 0.000 -6.111) 9.579 21.839 ( -6.725 0.000 2.718) 7.254 21.842 ( -1.268 0.000 -1.512) 1.974 21.882 ( 5.364 0.000 -6.535) 8.455 21.981 ( 4.764 0.000 -4.139) 6.311 22.254 ( -3.455 0.000 -1.355) 3.711 22.327 ( 3.207 0.000 8.053) 8.668 22.348 ( 6.335 0.000 -1.080) 6.426 23.242 ( -2.335 0.000 -1.734) 2.908 23.297 ( 1.631 0.000 0.696) 1.774 23.376 ( 3.320 0.000 8.455) 9.083 23.788 ( -0.563 0.000 -1.872) 1.954 24.477 ( 1.353 0.000 3.199) 3.474 24.494 ( -4.786 0.000 6.502) 8.073 24.631 ( -1.022 0.000 2.661) 2.851 24.725 ( -3.151 0.000 5.523) 6.359 24.970 ( 6.248 0.000 -1.557) 6.439 25.007 ( -0.575 0.000 -1.606) 1.706 25.050 ( 1.363 0.000 1.141) 1.777 25.070 ( -0.974 0.000 -7.440) 7.504 25.323 ( -3.951 0.000 3.268) 5.127 25.536 ( 1.395 0.000 3.122) 3.419 25.603 ( 2.327 0.000 -4.698) 5.243 25.802 ( 1.292 0.000 -1.931) 2.323 26.130 ( 0.847 0.000 -1.489) 1.713 26.169 ( -0.226 0.000 -1.003) 1.029 26.221 ( -0.267 0.000 0.407) 0.487 26.341 ( -3.104 0.000 -4.408) 5.391 26.444 ( 0.378 0.000 -0.085) 0.388 26.509 ( 3.584 0.000 2.721) 4.500 26.561 ( -2.750 0.000 -2.522) 3.731 26.576 ( 0.446 0.000 -7.842) 7.854 26.854 ( 1.867 0.000 5.169) 5.496 26.941 ( -1.150 0.000 2.023) 2.327 27.056 ( -1.136 0.000 -5.173) 5.296 27.071 ( -0.164 0.000 -2.481) 2.486 27.496 ( -2.557 0.000 14.749) 14.969 27.669 ( 0.885 0.000 6.971) 7.027 28.237 ( 4.325 0.000 -7.578) 8.725 28.343 ( 5.826 0.000 -5.192) 7.804 28.870 ( -6.005 0.000 4.762) 7.664 28.963 ( -7.031 0.000 9.667) 11.954 29.478 ( 4.216 0.000 -8.077) 9.111 29.752 ( -0.493 0.000 -8.515) 8.530 ======================= Grid point 61 (25/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 3.368 0.000 5.263) 6.248 1.793 ( -1.520 0.000 2.045) 2.547 2.367 ( -0.373 0.000 11.167) 11.173 2.835 ( -4.795 0.000 -3.570) 5.978 3.108 ( -16.054 0.000 -17.421) 23.690 3.161 ( -16.765 0.000 -9.855) 19.447 3.195 ( 5.239 0.000 4.076) 6.638 3.267 ( -11.874 0.000 1.398) 11.956 3.737 ( 5.478 0.000 -2.594) 6.061 3.796 ( 4.248 0.000 -3.174) 5.303 3.843 ( -5.383 0.000 4.043) 6.732 4.016 ( 0.603 0.000 -1.827) 1.924 4.141 ( -7.702 0.000 3.704) 8.547 4.377 ( -2.637 0.000 -0.253) 2.649 4.418 ( -1.579 0.000 1.567) 2.225 4.516 ( 0.705 0.000 -5.219) 5.267 4.649 ( -10.211 0.000 13.470) 16.903 4.739 ( -14.707 0.000 -1.292) 14.764 4.966 ( -2.538 0.000 1.493) 2.944 5.007 ( 7.375 0.000 2.387) 7.751 5.330 ( -1.229 0.000 -0.381) 1.287 5.352 ( 9.127 0.000 7.171) 11.607 5.486 ( -5.359 0.000 -2.146) 5.773 5.761 ( -9.663 0.000 -2.417) 9.961 5.890 ( -3.324 0.000 2.716) 4.292 6.011 ( -8.028 0.000 15.032) 17.041 6.125 ( 4.247 0.000 6.000) 7.351 6.236 ( -0.158 0.000 3.862) 3.865 6.344 ( -15.743 0.000 3.458) 16.118 6.459 ( -11.265 0.000 0.636) 11.283 6.479 ( 19.495 0.000 10.245) 22.023 6.804 ( -4.424 0.000 -5.088) 6.743 7.083 ( 6.618 0.000 -8.268) 10.591 7.268 ( -8.535 0.000 2.850) 8.998 7.280 ( 19.100 0.000 20.177) 27.784 7.474 ( -7.306 0.000 7.843) 10.718 7.702 ( -7.793 0.000 -10.003) 12.680 7.710 ( 19.451 0.000 7.540) 20.861 7.806 ( 7.733 0.000 11.812) 14.118 8.126 ( -10.862 0.000 -16.248) 19.544 8.151 ( 7.416 0.000 -5.113) 9.008 8.324 ( -16.764 0.000 -12.154) 20.706 8.634 ( -1.670 0.000 1.569) 2.291 8.828 ( -24.234 0.000 -15.096) 28.552 9.153 ( -11.673 0.000 -3.569) 12.206 9.167 ( -10.207 0.000 3.859) 10.912 9.337 ( 18.816 0.000 -15.961) 24.674 9.434 ( -19.541 0.000 4.798) 20.121 9.641 ( 25.929 0.000 0.638) 25.937 9.834 ( -4.395 0.000 7.148) 8.391 9.850 ( 10.095 0.000 -3.103) 10.561 10.099 ( -0.838 0.000 -3.310) 3.415 10.221 ( 6.874 0.000 -0.363) 6.884 10.338 ( -3.870 0.000 22.127) 22.463 10.431 ( -4.738 0.000 -0.959) 4.834 10.749 ( 0.824 0.000 -4.073) 4.156 10.819 ( -5.106 0.000 0.121) 5.108 11.008 ( 2.442 0.000 4.448) 5.074 11.198 ( -3.309 0.000 -1.745) 3.741 11.306 ( -17.455 0.000 -13.252) 21.916 11.410 ( 2.257 0.000 -4.522) 5.054 11.502 ( 7.107 0.000 -13.535) 15.287 11.556 ( -0.326 0.000 -2.675) 2.695 11.613 ( 0.251 0.000 -3.192) 3.202 11.859 ( 7.883 0.000 -4.400) 9.027 12.021 ( -5.665 0.000 -2.839) 6.337 12.024 ( 1.645 0.000 7.205) 7.390 12.115 ( 2.254 0.000 8.482) 8.777 12.215 ( -11.479 0.000 0.824) 11.509 12.320 ( 5.997 0.000 1.019) 6.083 12.977 ( 3.470 0.000 3.341) 4.817 13.129 ( -8.869 0.000 -0.381) 8.877 13.204 ( -0.669 0.000 -2.544) 2.630 13.528 ( -8.617 0.000 -12.039) 14.805 13.532 ( -2.493 0.000 5.368) 5.918 13.627 ( -14.365 0.000 -1.046) 14.403 13.679 ( -5.237 0.000 2.852) 5.963 13.854 ( -7.693 0.000 2.671) 8.143 14.038 ( -4.377 0.000 1.519) 4.633 14.173 ( 6.366 0.000 2.257) 6.754 14.352 ( -5.881 0.000 -2.751) 6.492 14.641 ( -2.542 0.000 18.264) 18.440 14.908 ( -10.422 0.000 -13.612) 17.143 14.951 ( 11.621 0.000 0.845) 11.651 15.158 ( 21.186 0.000 -8.309) 22.757 15.452 ( 11.280 0.000 5.442) 12.524 15.552 ( 8.844 0.000 -1.452) 8.962 15.775 ( 0.658 0.000 -15.230) 15.244 15.911 ( -9.343 0.000 9.955) 13.653 16.266 ( 15.887 0.000 8.716) 18.121 16.528 ( 1.503 0.000 -19.796) 19.853 16.591 ( 9.375 0.000 4.374) 10.345 16.771 ( 1.516 0.000 -2.145) 2.626 16.772 ( 2.173 0.000 3.146) 3.824 16.930 ( -9.069 0.000 -2.378) 9.375 17.463 ( 28.374 0.000 11.578) 30.645 19.903 ( 2.070 0.000 3.644) 4.191 19.944 ( 0.907 0.000 -0.103) 0.913 20.183 ( 4.157 0.000 4.556) 6.167 20.201 ( 1.168 0.000 3.935) 4.104 20.394 ( 0.252 0.000 1.847) 1.864 20.396 ( -0.387 0.000 -2.012) 2.049 20.605 ( 5.483 0.000 4.695) 7.219 20.777 ( -0.292 0.000 -2.275) 2.293 20.864 ( 4.798 0.000 7.895) 9.239 20.941 ( 5.295 0.000 7.243) 8.972 21.060 ( -12.368 0.000 -3.561) 12.870 21.150 ( 2.734 0.000 2.854) 3.952 21.234 ( -2.290 0.000 -5.256) 5.733 21.451 ( -0.720 0.000 -1.696) 1.842 21.506 ( -3.737 0.000 -10.439) 11.087 21.544 ( -3.235 0.000 1.757) 3.681 21.721 ( 2.703 0.000 -4.570) 5.309 21.790 ( 1.636 0.000 1.578) 2.273 21.846 ( 2.094 0.000 -1.138) 2.384 21.888 ( 2.675 0.000 -4.056) 4.859 22.039 ( 2.713 0.000 -0.259) 2.725 22.159 ( -4.008 0.000 -3.624) 5.403 22.457 ( 5.845 0.000 0.425) 5.861 22.507 ( 10.844 0.000 1.299) 10.922 23.173 ( -3.966 0.000 -0.717) 4.030 23.340 ( 3.061 0.000 -0.500) 3.102 23.503 ( 0.062 0.000 9.750) 9.750 23.705 ( -5.582 0.000 -4.769) 7.341 24.384 ( -14.669 0.000 5.208) 15.566 24.539 ( 0.671 0.000 4.103) 4.158 24.626 ( -2.829 0.000 3.749) 4.697 24.691 ( -5.143 0.000 2.362) 5.659 24.922 ( -5.401 0.000 -3.973) 6.705 25.020 ( -0.576 0.000 2.039) 2.119 25.030 ( 2.476 0.000 -5.786) 6.293 25.108 ( 3.305 0.000 2.122) 3.928 25.263 ( -4.340 0.000 1.591) 4.622 25.599 ( 2.404 0.000 -4.503) 5.104 25.601 ( 1.548 0.000 3.912) 4.207 25.775 ( -1.972 0.000 -1.939) 2.766 26.116 ( -1.415 0.000 -0.132) 1.422 26.133 ( -2.427 0.000 -2.217) 3.287 26.216 ( -1.049 0.000 1.184) 1.582 26.223 ( -4.346 0.000 -5.362) 6.902 26.385 ( -6.214 0.000 -0.157) 6.216 26.464 ( -1.752 0.000 -5.920) 6.174 26.549 ( 3.989 0.000 -3.978) 5.634 26.683 ( 8.019 0.000 5.300) 9.612 26.897 ( 1.008 0.000 -0.369) 1.073 26.952 ( 0.104 0.000 2.158) 2.160 27.016 ( -3.144 0.000 -3.326) 4.577 27.060 ( 4.160 0.000 0.331) 4.173 27.566 ( -6.222 0.000 14.629) 15.897 27.719 ( -3.748 0.000 7.030) 7.966 28.196 ( 1.643 0.000 -11.177) 11.298 28.362 ( 3.377 0.000 -7.809) 8.508 28.781 ( -9.425 0.000 4.266) 10.346 28.984 ( -4.272 0.000 15.294) 15.879 29.460 ( 2.964 0.000 -6.952) 7.558 29.685 ( 3.785 0.000 -10.813) 11.456 ======================= Grid point 62 (26/78) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 10.949 0.000 10.423) 15.117 1.793 ( -3.636 0.000 4.465) 5.758 2.354 ( -13.087 0.000 5.554) 14.216 2.473 ( -29.767 0.000 -10.890) 31.697 2.633 ( -22.886 0.000 -17.836) 29.015 2.702 ( -5.273 0.000 -8.970) 10.405 3.066 ( -16.382 0.000 1.783) 16.479 3.326 ( 2.222 0.000 -3.957) 4.538 3.659 ( -6.031 0.000 -3.250) 6.851 3.685 ( -10.449 0.000 -1.223) 10.520 3.927 ( -11.966 0.000 7.860) 14.316 3.953 ( 3.270 0.000 9.497) 10.044 4.204 ( -6.352 0.000 0.075) 6.353 4.280 ( -24.163 0.000 -0.422) 24.167 4.323 ( -4.591 0.000 3.909) 6.029 4.468 ( -4.818 0.000 -3.570) 5.996 4.486 ( 3.076 0.000 -8.480) 9.021 4.604 ( -9.146 0.000 10.215) 13.711 4.817 ( -9.631 0.000 -5.944) 11.317 5.146 ( 6.270 0.000 2.563) 6.774 5.151 ( -6.104 0.000 -7.312) 9.525 5.336 ( -11.421 0.000 -3.032) 11.817 5.502 ( -14.553 0.000 0.223) 14.554 5.516 ( -0.473 0.000 5.889) 5.908 5.860 ( 1.466 0.000 -2.059) 2.527 6.017 ( -4.952 0.000 12.816) 13.739 6.171 ( 2.638 0.000 -1.455) 3.012 6.253 ( -3.808 0.000 9.314) 10.063 6.340 ( -0.598 0.000 -1.194) 1.335 6.354 ( 3.095 0.000 13.190) 13.548 6.688 ( -3.884 0.000 -8.884) 9.696 6.943 ( 18.578 0.000 11.213) 21.700 7.122 ( 6.005 0.000 -5.316) 8.020 7.141 ( -10.127 0.000 2.804) 10.508 7.401 ( -4.990 0.000 -3.415) 6.047 7.556 ( 0.734 0.000 -1.818) 1.960 7.669 ( 9.193 0.000 3.310) 9.771 7.878 ( -19.595 0.000 -0.226) 19.596 7.910 ( 2.730 0.000 -1.816) 3.279 7.991 ( -5.683 0.000 -6.478) 8.617 8.116 ( -3.394 0.000 2.785) 4.391 8.208 ( 9.612 0.000 11.496) 14.985 8.293 ( -16.121 0.000 -13.243) 20.863 8.551 ( -15.669 0.000 5.087) 16.474 8.947 ( -16.658 0.000 0.136) 16.658 9.007 ( 4.232 0.000 2.754) 5.049 9.292 ( -1.298 0.000 2.704) 2.999 9.463 ( 5.661 0.000 -0.934) 5.737 9.750 ( -4.393 0.000 -0.942) 4.493 9.908 ( 2.229 0.000 -7.244) 7.579 9.968 ( -0.011 0.000 -12.873) 12.873 10.124 ( 22.197 0.000 4.348) 22.618 10.314 ( -11.596 0.000 7.808) 13.979 10.351 ( 4.642 0.000 0.328) 4.653 10.443 ( 2.175 0.000 0.494) 2.230 10.759 ( -1.687 0.000 -0.383) 1.730 10.768 ( 2.397 0.000 4.936) 5.487 10.887 ( -12.799 0.000 -12.547) 17.923 11.089 ( -4.530 0.000 -3.842) 5.940 11.163 ( 2.260 0.000 11.770) 11.985 11.322 ( -8.016 0.000 -2.196) 8.312 11.498 ( -2.045 0.000 -0.537) 2.114 11.578 ( 2.311 0.000 -0.206) 2.320 11.611 ( 5.541 0.000 -5.430) 7.758 11.861 ( -6.979 0.000 1.361) 7.111 11.944 ( -14.711 0.000 -2.006) 14.847 11.960 ( 11.519 0.000 -7.580) 13.789 12.168 ( 3.917 0.000 6.332) 7.445 12.255 ( 4.948 0.000 1.592) 5.198 12.423 ( 6.106 0.000 -2.263) 6.512 12.969 ( -9.729 0.000 0.781) 9.760 13.042 ( -2.220 0.000 4.220) 4.768 13.111 ( -3.776 0.000 -5.584) 6.741 13.198 ( -14.325 0.000 -1.771) 14.434 13.442 ( -9.418 0.000 -7.774) 12.212 13.462 ( -5.606 0.000 4.273) 7.049 13.616 ( -2.309 0.000 2.737) 3.581 13.926 ( 6.101 0.000 7.518) 9.682 13.978 ( -6.235 0.000 4.875) 7.914 14.284 ( -2.287 0.000 -3.244) 3.969 14.364 ( 9.316 0.000 7.145) 11.741 14.612 ( -3.236 0.000 -9.134) 9.690 14.817 ( 5.083 0.000 5.003) 7.132 15.108 ( 5.921 0.000 -2.632) 6.480 15.355 ( 8.453 0.000 -0.942) 8.505 15.528 ( 1.841 0.000 -9.048) 9.234 15.650 ( 2.371 0.000 0.423) 2.408 15.832 ( 7.336 0.000 -0.265) 7.340 15.913 ( -3.531 0.000 11.839) 12.355 16.416 ( 13.158 0.000 -22.183) 25.792 16.430 ( 2.238 0.000 2.505) 3.359 16.696 ( -10.154 0.000 -4.986) 11.312 16.782 ( 5.309 0.000 -1.754) 5.592 16.885 ( 3.464 0.000 2.628) 4.348 16.974 ( 22.175 0.000 6.019) 22.978 18.108 ( 33.257 0.000 9.210) 34.509 19.941 ( 0.025 0.000 0.734) 0.735 19.984 ( 4.916 0.000 -1.319) 5.090 20.283 ( 0.926 0.000 4.918) 5.004 20.299 ( 3.139 0.000 5.202) 6.076 20.381 ( -0.658 0.000 0.974) 1.175 20.448 ( 4.843 0.000 0.187) 4.847 20.706 ( -2.578 0.000 -6.093) 6.616 20.719 ( 4.148 0.000 0.093) 4.149 20.799 ( -8.808 0.000 -7.281) 11.428 21.036 ( 2.930 0.000 11.141) 11.520 21.041 ( -5.292 0.000 5.213) 7.428 21.176 ( 3.363 0.000 -2.894) 4.437 21.253 ( 4.119 0.000 7.120) 8.226 21.448 ( 7.798 0.000 -1.841) 8.013 21.461 ( 1.864 0.000 0.346) 1.896 21.560 ( 2.570 0.000 -0.774) 2.684 21.714 ( -0.352 0.000 1.110) 1.164 21.817 ( 2.785 0.000 -6.602) 7.165 21.852 ( -0.784 0.000 -2.558) 2.675 21.948 ( 3.573 0.000 2.769) 4.520 22.083 ( 4.660 0.000 -0.552) 4.692 22.097 ( 1.503 0.000 -0.883) 1.743 22.546 ( 4.797 0.000 -0.234) 4.802 22.649 ( 9.217 0.000 -10.161) 13.719 23.126 ( -2.928 0.000 4.570) 5.428 23.373 ( 2.656 0.000 -3.466) 4.366 23.508 ( -9.753 0.000 -8.314) 12.816 23.533 ( -6.389 0.000 6.437) 9.070 24.114 ( -21.854 0.000 4.269) 22.267 24.512 ( -6.351 0.000 0.883) 6.412 24.614 ( -4.130 0.000 -1.219) 4.306 24.642 ( -1.638 0.000 5.668) 5.900 24.781 ( -8.620 0.000 0.925) 8.669 25.012 ( 3.613 0.000 -9.149) 9.837 25.013 ( -3.030 0.000 4.288) 5.250 25.170 ( 1.389 0.000 0.643) 1.531 25.224 ( -3.051 0.000 2.787) 4.132 25.593 ( 1.221 0.000 -3.393) 3.606 25.658 ( 1.351 0.000 2.924) 3.221 25.717 ( -2.257 0.000 -1.133) 2.525 26.042 ( -3.963 0.000 -3.285) 5.148 26.085 ( -2.680 0.000 1.238) 2.952 26.133 ( -0.581 0.000 -3.917) 3.960 26.199 ( -3.763 0.000 1.621) 4.098 26.292 ( -2.797 0.000 0.024) 2.797 26.413 ( 1.254 0.000 -2.786) 3.055 26.580 ( 3.283 0.000 -2.578) 4.174 26.852 ( 2.672 0.000 6.742) 7.252 26.887 ( -7.843 0.000 -2.451) 8.217 26.936 ( 7.722 0.000 -4.628) 9.003 26.992 ( 0.847 0.000 2.303) 2.454 27.140 ( 2.534 0.000 1.882) 3.156 27.559 ( -9.412 0.000 11.659) 14.984 27.672 ( -8.624 0.000 6.042) 10.530 28.085 ( 0.265 0.000 -14.637) 14.639 28.295 ( 2.239 0.000 -16.514) 16.665 28.654 ( -12.321 0.000 9.087) 15.309 29.114 ( -1.976 0.000 22.885) 22.971 29.470 ( 5.183 0.000 -4.663) 6.972 29.676 ( 7.212 0.000 -10.304) 12.577 ======================= Grid point 63 (27/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -38.489 0.000 7.644) 39.241 1.590 ( -31.731 0.000 -1.594) 31.771 2.071 ( -2.442 0.000 -4.354) 4.992 2.088 ( -11.865 0.000 7.561) 14.069 2.361 ( 1.777 0.000 -2.238) 2.857 2.623 ( 2.647 0.000 -4.668) 5.366 2.753 ( -20.014 0.000 -1.100) 20.044 3.120 ( -72.633 0.000 2.915) 72.691 3.242 ( -3.652 0.000 -5.915) 6.952 3.463 ( -12.582 0.000 -4.523) 13.370 3.552 ( -10.024 0.000 -4.596) 11.028 3.884 ( -9.729 0.000 12.166) 15.578 4.010 ( -8.458 0.000 8.097) 11.709 4.154 ( -10.073 0.000 -4.886) 11.195 4.337 ( 3.423 0.000 -0.770) 3.509 4.406 ( 1.236 0.000 -1.006) 1.594 4.428 ( 0.662 0.000 -9.728) 9.750 4.557 ( -5.912 0.000 8.744) 10.555 4.774 ( -8.871 0.000 2.839) 9.315 5.005 ( -0.896 0.000 -13.879) 13.908 5.045 ( -2.947 0.000 -7.844) 8.379 5.259 ( 4.097 0.000 2.200) 4.650 5.419 ( -11.519 0.000 0.796) 11.546 5.454 ( -2.551 0.000 11.659) 11.935 5.920 ( 5.780 0.000 -1.184) 5.900 6.023 ( -8.757 0.000 15.347) 17.669 6.248 ( -4.367 0.000 2.565) 5.065 6.249 ( 6.821 0.000 -1.301) 6.944 6.403 ( 2.666 0.000 -5.043) 5.704 6.531 ( 4.068 0.000 8.152) 9.111 6.544 ( 1.538 0.000 -3.759) 4.061 6.998 ( -12.476 0.000 4.969) 13.430 7.095 ( -7.559 0.000 -1.986) 7.815 7.241 ( 3.790 0.000 3.704) 5.299 7.286 ( -14.903 0.000 8.016) 16.922 7.493 ( 0.916 0.000 -8.455) 8.505 7.556 ( -9.192 0.000 -11.361) 14.614 7.635 ( -8.895 0.000 9.289) 12.861 7.784 ( -14.684 0.000 -9.688) 17.592 7.897 ( 2.774 0.000 -6.318) 6.900 8.091 ( 1.342 0.000 10.049) 10.139 8.121 ( -6.719 0.000 6.612) 9.427 8.227 ( 3.045 0.000 -5.691) 6.454 8.627 ( 9.871 0.000 5.675) 11.386 8.691 ( -10.379 0.000 -0.844) 10.413 9.108 ( 0.686 0.000 -6.685) 6.720 9.383 ( 12.984 0.000 -10.768) 16.868 9.531 ( -1.415 0.000 4.289) 4.516 9.758 ( -1.592 0.000 15.312) 15.395 9.839 ( -1.114 0.000 -7.700) 7.780 9.857 ( 1.333 0.000 -11.202) 11.281 10.115 ( -16.288 0.000 8.243) 18.255 10.309 ( 3.071 0.000 0.536) 3.117 10.441 ( 2.811 0.000 2.688) 3.889 10.536 ( 1.906 0.000 -11.263) 11.423 10.724 ( 7.160 0.000 -2.354) 7.537 10.788 ( 5.779 0.000 1.473) 5.963 10.881 ( 4.822 0.000 -4.911) 6.883 10.951 ( -6.132 0.000 2.799) 6.741 11.164 ( -9.244 0.000 2.696) 9.629 11.229 ( -5.687 0.000 4.406) 7.195 11.399 ( -2.794 0.000 1.804) 3.326 11.636 ( 2.196 0.000 9.021) 9.285 11.719 ( -2.102 0.000 -6.344) 6.684 11.795 ( 6.191 0.000 7.943) 10.071 11.850 ( 1.093 0.000 4.508) 4.638 12.097 ( 11.959 0.000 -6.884) 13.799 12.224 ( -5.447 0.000 4.705) 7.198 12.289 ( -0.075 0.000 -4.575) 4.576 12.443 ( 3.545 0.000 -10.463) 11.047 12.807 ( -8.879 0.000 2.702) 9.281 13.003 ( -8.198 0.000 2.218) 8.493 13.060 ( 2.175 0.000 -3.183) 3.855 13.090 ( -4.903 0.000 10.591) 11.671 13.180 ( -4.969 0.000 -6.713) 8.352 13.499 ( 0.772 0.000 8.196) 8.232 13.612 ( -0.219 0.000 -4.186) 4.192 13.862 ( -10.359 0.000 0.162) 10.360 14.092 ( 5.875 0.000 1.475) 6.058 14.191 ( -2.826 0.000 -4.573) 5.376 14.430 ( -0.418 0.000 -7.215) 7.227 14.682 ( 9.727 0.000 2.224) 9.978 15.043 ( 14.705 0.000 10.821) 18.257 15.099 ( -0.309 0.000 -5.149) 5.159 15.403 ( 0.084 0.000 -5.432) 5.433 15.562 ( 7.218 0.000 -2.639) 7.686 15.636 ( -1.321 0.000 2.946) 3.229 15.892 ( -4.357 0.000 0.659) 4.407 15.893 ( 0.158 0.000 0.303) 0.342 16.431 ( -12.716 0.000 -3.571) 13.208 16.488 ( 1.718 0.000 2.620) 3.133 16.619 ( 18.613 0.000 -4.225) 19.087 16.859 ( 5.979 0.000 -1.892) 6.271 16.973 ( 3.258 0.000 3.103) 4.499 17.388 ( 20.577 0.000 0.441) 20.582 18.685 ( 26.568 0.000 2.164) 26.656 19.933 ( -0.750 0.000 -0.452) 0.876 20.084 ( 8.173 0.000 -1.636) 8.335 20.244 ( -9.942 0.000 3.121) 10.421 20.370 ( -0.721 0.000 0.590) 0.931 20.377 ( 1.086 0.000 3.885) 4.034 20.544 ( 6.199 0.000 -1.004) 6.280 20.598 ( -6.141 0.000 -3.442) 7.040 20.706 ( 4.252 0.000 -1.149) 4.405 20.747 ( 1.638 0.000 -2.522) 3.007 20.961 ( -5.688 0.000 2.299) 6.135 21.100 ( -2.191 0.000 3.836) 4.417 21.343 ( 12.645 0.000 1.894) 12.786 21.398 ( 3.727 0.000 6.770) 7.728 21.521 ( 5.427 0.000 -0.461) 5.447 21.564 ( 3.119 0.000 -0.211) 3.126 21.637 ( 5.152 0.000 -1.361) 5.328 21.724 ( -0.516 0.000 1.248) 1.350 21.782 ( -1.089 0.000 -2.996) 3.188 21.808 ( 3.506 0.000 -2.722) 4.439 21.969 ( -0.821 0.000 -2.798) 2.916 22.202 ( 8.347 0.000 2.188) 8.629 22.224 ( 9.964 0.000 1.273) 10.045 22.630 ( 3.947 0.000 -12.853) 13.445 22.633 ( 5.514 0.000 1.500) 5.714 23.082 ( -9.806 0.000 -2.108) 10.030 23.316 ( -1.125 0.000 -1.835) 2.152 23.355 ( 0.893 0.000 -6.791) 6.850 23.405 ( -13.412 0.000 2.680) 13.677 23.760 ( -24.168 0.000 4.713) 24.623 24.379 ( -9.154 0.000 -0.036) 9.154 24.538 ( -2.174 0.000 -3.075) 3.767 24.640 ( -3.471 0.000 3.263) 4.764 24.684 ( -7.637 0.000 9.311) 12.042 24.959 ( 2.597 0.000 -14.751) 14.978 25.015 ( -1.946 0.000 4.543) 4.943 25.145 ( -2.939 0.000 -2.545) 3.888 25.196 ( -3.821 0.000 2.885) 4.788 25.577 ( -0.364 0.000 -1.665) 1.704 25.693 ( 1.263 0.000 -2.361) 2.677 25.710 ( 2.298 0.000 1.756) 2.892 25.980 ( -1.117 0.000 -0.001) 1.117 26.055 ( -2.309 0.000 1.277) 2.638 26.116 ( 2.066 0.000 -2.800) 3.480 26.130 ( -4.641 0.000 2.575) 5.307 26.290 ( -0.881 0.000 2.873) 3.005 26.464 ( 6.527 0.000 -0.103) 6.527 26.603 ( -0.031 0.000 -2.115) 2.115 26.732 ( -5.993 0.000 0.698) 6.033 26.888 ( -1.610 0.000 0.780) 1.789 27.012 ( -2.034 0.000 2.930) 3.567 27.021 ( 4.725 0.000 -4.611) 6.602 27.148 ( -3.667 0.000 1.604) 4.002 27.466 ( -11.922 0.000 5.918) 13.310 27.613 ( -3.830 0.000 7.794) 8.684 27.933 ( -0.167 0.000 -18.617) 18.617 28.107 ( 0.571 0.000 -27.156) 27.162 28.563 ( -11.729 0.000 14.951) 19.003 29.377 ( 1.980 0.000 34.545) 34.602 29.537 ( 6.924 0.000 -4.003) 7.998 29.727 ( 8.800 0.000 -7.627) 11.645 ======================= Grid point 64 (28/78) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -41.318 0.000 23.324) 47.447 0.991 ( -39.110 0.000 24.554) 46.179 1.785 ( -64.941 0.000 46.624) 79.945 2.081 ( 1.054 0.000 1.905) 2.177 2.127 ( -20.376 0.000 5.072) 20.997 2.378 ( -11.890 0.000 -0.244) 11.892 2.520 ( -5.161 0.000 4.257) 6.690 2.672 ( 4.464 0.000 0.900) 4.554 3.132 ( -2.990 0.000 -7.072) 7.678 3.204 ( -7.538 0.000 -7.284) 10.482 3.406 ( -5.934 0.000 2.281) 6.358 3.857 ( -12.778 0.000 0.697) 12.796 3.868 ( -11.207 0.000 0.496) 11.218 3.908 ( -2.295 0.000 -0.406) 2.330 4.254 ( -1.616 0.000 -13.334) 13.432 4.322 ( -7.708 0.000 -11.046) 13.470 4.427 ( 1.822 0.000 -1.172) 2.166 4.609 ( 0.321 0.000 11.762) 11.767 4.660 ( 4.610 0.000 -0.594) 4.648 4.865 ( -9.700 0.000 -3.111) 10.186 5.038 ( 0.928 0.000 4.396) 4.493 5.240 ( -9.304 0.000 1.822) 9.481 5.324 ( 2.887 0.000 -1.383) 3.201 5.585 ( 1.375 0.000 13.297) 13.368 5.994 ( 3.807 0.000 -0.888) 3.909 6.063 ( -6.964 0.000 6.912) 9.812 6.172 ( 3.143 0.000 -1.430) 3.453 6.298 ( 3.286 0.000 -10.287) 10.799 6.358 ( 3.631 0.000 3.405) 4.978 6.573 ( -3.583 0.000 -5.532) 6.591 6.641 ( 0.388 0.000 4.330) 4.347 6.779 ( -16.631 0.000 -6.082) 17.708 6.816 ( -8.734 0.000 2.844) 9.185 7.126 ( -15.501 0.000 -2.415) 15.688 7.182 ( -10.096 0.000 12.079) 15.743 7.393 ( 1.572 0.000 -4.956) 5.200 7.489 ( 1.095 0.000 -0.597) 1.248 7.623 ( 9.870 0.000 -13.082) 16.387 7.664 ( -0.421 0.000 11.382) 11.390 7.926 ( 0.980 0.000 4.079) 4.195 8.102 ( -3.490 0.000 9.516) 10.135 8.153 ( 1.439 0.000 -4.675) 4.892 8.331 ( 8.877 0.000 -5.923) 10.672 8.650 ( 4.058 0.000 3.714) 5.501 8.789 ( 5.397 0.000 -4.879) 7.275 8.993 ( 2.102 0.000 -5.246) 5.652 9.413 ( -3.952 0.000 1.530) 4.237 9.505 ( 2.970 0.000 -7.947) 8.483 9.664 ( -13.187 0.000 -2.236) 13.375 9.666 ( -3.994 0.000 -11.549) 12.220 9.986 ( 5.018 0.000 1.703) 5.299 10.025 ( -2.265 0.000 4.512) 5.049 10.328 ( 0.453 0.000 -15.430) 15.436 10.489 ( 5.496 0.000 6.985) 8.888 10.528 ( 2.016 0.000 2.171) 2.963 10.707 ( -3.521 0.000 -4.315) 5.569 10.795 ( -2.823 0.000 -1.427) 3.163 10.926 ( -2.446 0.000 1.779) 3.024 10.958 ( -0.810 0.000 13.130) 13.155 11.140 ( 11.237 0.000 -9.691) 14.839 11.281 ( 5.946 0.000 3.593) 6.947 11.374 ( -3.145 0.000 -6.353) 7.088 11.687 ( 7.257 0.000 10.711) 12.938 11.881 ( 8.105 0.000 20.202) 21.767 11.932 ( 0.657 0.000 8.560) 8.585 11.997 ( 4.516 0.000 4.999) 6.737 12.027 ( -19.668 0.000 1.461) 19.723 12.140 ( -2.534 0.000 -2.501) 3.560 12.269 ( 9.701 0.000 -4.705) 10.781 12.429 ( 5.991 0.000 -5.826) 8.356 12.726 ( -9.914 0.000 0.242) 9.917 12.862 ( -6.767 0.000 -5.470) 8.702 12.983 ( -6.630 0.000 6.059) 8.982 13.016 ( -1.455 0.000 -11.662) 11.752 13.282 ( 4.348 0.000 -3.954) 5.877 13.500 ( -8.961 0.000 0.783) 8.995 13.559 ( 1.103 0.000 0.485) 1.205 13.749 ( -0.513 0.000 7.134) 7.153 14.114 ( -0.306 0.000 -4.966) 4.976 14.142 ( 0.410 0.000 -5.491) 5.506 14.308 ( -3.762 0.000 -7.629) 8.506 14.822 ( 9.962 0.000 -10.440) 14.430 15.083 ( 2.916 0.000 3.321) 4.419 15.343 ( 6.785 0.000 -7.496) 10.110 15.452 ( 7.380 0.000 19.086) 20.463 15.663 ( -2.504 0.000 7.190) 7.614 15.665 ( 4.819 0.000 1.006) 4.923 15.858 ( -0.734 0.000 4.555) 4.614 15.870 ( -1.430 0.000 -1.496) 2.069 16.165 ( -11.804 0.000 -4.193) 12.527 16.486 ( -2.520 0.000 -7.811) 8.207 16.902 ( 10.289 0.000 6.251) 12.039 16.945 ( 4.283 0.000 0.925) 4.381 17.065 ( 2.744 0.000 8.374) 8.812 17.625 ( 11.262 0.000 -8.654) 14.203 19.000 ( 12.007 0.000 -5.979) 13.414 19.919 ( -0.202 0.000 0.355) 0.408 20.107 ( -8.784 0.000 4.943) 10.079 20.200 ( 6.386 0.000 -1.519) 6.564 20.384 ( 0.826 0.000 1.931) 2.101 20.428 ( 2.733 0.000 1.042) 2.925 20.483 ( -5.189 0.000 0.262) 5.196 20.617 ( 2.785 0.000 -1.157) 3.015 20.746 ( 2.076 0.000 -3.764) 4.299 20.780 ( 2.341 0.000 0.922) 2.516 20.919 ( -1.523 0.000 1.935) 2.463 21.055 ( -3.963 0.000 -1.926) 4.406 21.482 ( 4.251 0.000 -14.504) 15.115 21.483 ( 1.025 0.000 1.709) 1.993 21.607 ( 1.392 0.000 2.394) 2.769 21.619 ( -1.421 0.000 -0.903) 1.684 21.639 ( 7.959 0.000 -0.552) 7.978 21.699 ( 0.249 0.000 -1.528) 1.548 21.730 ( -4.655 0.000 2.244) 5.167 21.904 ( -0.505 0.000 -4.310) 4.339 21.934 ( 8.899 0.000 -2.466) 9.235 22.352 ( 6.524 0.000 -0.230) 6.528 22.378 ( 7.292 0.000 -2.831) 7.822 22.623 ( 2.672 0.000 3.046) 4.052 22.784 ( 7.707 0.000 5.860) 9.682 22.898 ( -1.343 0.000 1.085) 1.726 23.150 ( -16.043 0.000 0.298) 16.046 23.281 ( -13.049 0.000 -0.748) 13.071 23.309 ( 2.185 0.000 -6.912) 7.249 23.462 ( -11.735 0.000 7.983) 14.193 24.222 ( -7.809 0.000 -2.129) 8.095 24.497 ( -0.217 0.000 -0.498) 0.543 24.607 ( -2.707 0.000 1.370) 3.034 24.714 ( -5.897 0.000 -3.221) 6.719 24.799 ( 1.256 0.000 2.767) 3.039 25.020 ( -2.034 0.000 0.703) 2.153 25.057 ( -2.614 0.000 -1.986) 3.283 25.154 ( -3.603 0.000 2.181) 4.211 25.537 ( -0.458 0.000 -5.236) 5.256 25.710 ( 2.240 0.000 -0.639) 2.330 25.764 ( 2.456 0.000 0.172) 2.462 25.992 ( 0.060 0.000 3.121) 3.122 26.028 ( -0.826 0.000 -0.508) 0.970 26.142 ( 3.531 0.000 -1.951) 4.034 26.151 ( 0.829 0.000 8.375) 8.416 26.304 ( -0.662 0.000 6.583) 6.616 26.497 ( -4.803 0.000 -3.228) 5.787 26.615 ( 10.175 0.000 -0.319) 10.180 26.787 ( 5.581 0.000 4.652) 7.266 26.824 ( -4.774 0.000 -0.341) 4.787 26.971 ( -5.169 0.000 1.606) 5.413 26.997 ( -0.586 0.000 -6.664) 6.690 27.057 ( -6.998 0.000 -1.194) 7.100 27.324 ( -8.998 0.000 4.316) 9.980 27.485 ( -24.507 0.000 -39.741) 46.690 27.659 ( -0.220 0.000 5.403) 5.407 27.950 ( 5.554 0.000 -12.154) 13.362 28.548 ( -8.851 0.000 17.786) 19.866 29.594 ( 5.229 0.000 -6.829) 8.601 29.820 ( 7.898 0.000 -2.996) 8.447 29.913 ( 20.035 0.000 32.691) 38.342 ======================= Grid point 65 (29/78) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -8.735 29.288 19.507) 36.257 1.344 ( -5.385 26.318 35.442) 44.472 1.955 ( 1.532 5.817 1.294) 6.153 2.130 ( 0.318 7.496 8.478) 11.321 2.332 ( 2.559 29.378 53.176) 60.806 2.561 ( 0.128 7.974 7.343) 10.840 2.648 ( -5.588 15.883 3.210) 17.140 2.874 ( -2.945 -3.231 2.331) 4.954 3.021 ( 9.973 -4.054 -6.090) 12.369 3.297 ( 1.107 8.303 -6.578) 10.651 3.497 ( 0.501 2.307 6.534) 6.947 3.572 ( 0.669 0.191 -8.343) 8.372 3.700 ( -3.235 3.796 -2.933) 5.786 3.824 ( 3.235 -8.578 -1.220) 9.249 4.003 ( 0.378 -7.632 -12.677) 14.802 4.350 ( 5.093 -0.080 3.170) 6.000 4.386 ( -2.922 5.712 -10.213) 12.061 4.583 ( -4.810 -10.039 15.816) 19.341 4.777 ( 5.468 -3.550 3.216) 7.270 4.906 ( 3.777 -3.810 2.882) 6.090 4.976 ( -5.596 11.360 7.620) 14.779 5.311 ( 1.038 5.561 -3.404) 6.603 5.451 ( 0.119 8.603 1.129) 8.677 5.609 ( -7.034 -1.231 2.742) 7.649 5.941 ( -3.376 -7.536 -7.540) 11.182 6.035 ( 13.239 0.178 -8.604) 15.790 6.095 ( -3.519 -4.395 5.798) 8.082 6.145 ( 0.408 -6.375 -9.861) 11.750 6.341 ( -1.927 -9.266 -9.890) 13.689 6.459 ( -1.051 -2.840 8.648) 9.163 6.514 ( -4.608 0.461 -7.618) 8.916 6.568 ( 0.442 0.709 -1.169) 1.436 6.699 ( -0.020 -1.076 9.890) 9.948 6.909 ( -10.342 -5.691 8.761) 14.701 7.121 ( -1.011 9.974 -0.672) 10.047 7.404 ( 3.152 -1.753 -0.041) 3.607 7.644 ( 2.640 4.754 2.131) 5.840 7.713 ( 0.969 0.453 -4.722) 4.842 7.759 ( 0.396 5.664 -2.199) 6.089 7.996 ( 0.705 -2.316 -0.884) 2.577 8.132 ( 2.720 3.774 7.467) 8.797 8.151 ( 4.990 -8.835 -0.702) 10.171 8.351 ( -0.566 0.433 3.836) 3.901 8.518 ( -0.885 -7.550 0.265) 7.606 8.914 ( -2.308 8.032 -13.280) 15.691 9.095 ( -3.885 -9.555 4.827) 11.388 9.349 ( -3.220 -2.869 -9.373) 10.317 9.368 ( 2.945 4.719 -8.403) 10.077 9.566 ( 8.430 0.310 -2.457) 8.786 9.666 ( 1.512 10.385 -1.484) 10.599 9.780 ( -5.446 -0.696 -18.879) 19.661 10.083 ( -1.728 0.021 -2.992) 3.455 10.221 ( -8.325 -12.684 -1.608) 15.257 10.295 ( 1.152 1.956 -1.670) 2.818 10.403 ( 6.798 -6.082 1.531) 9.249 10.591 ( 5.192 -7.888 1.624) 9.582 10.739 ( 1.572 -2.761 -0.516) 3.218 10.887 ( -6.199 -9.276 -6.067) 12.699 11.125 ( 3.992 1.151 11.791) 12.502 11.149 ( -5.937 1.659 -4.651) 7.722 11.227 ( 5.810 -4.588 -4.703) 8.771 11.489 ( -4.430 13.277 1.636) 14.092 11.569 ( -8.876 -6.811 3.686) 11.780 11.832 ( 1.154 -1.942 -2.339) 3.252 11.952 ( -6.961 -0.357 -7.781) 10.446 12.098 ( -1.993 1.117 14.188) 14.371 12.171 ( 0.802 -2.080 10.872) 11.098 12.262 ( -5.305 -4.556 6.150) 9.313 12.345 ( 1.890 -1.447 2.124) 3.190 12.498 ( 9.247 -0.661 0.530) 9.285 12.524 ( 9.911 2.507 -4.065) 11.002 12.772 ( 1.636 -5.112 11.133) 12.360 12.882 ( 1.288 5.850 2.168) 6.370 13.162 ( -5.856 11.739 -6.338) 14.569 13.268 ( 0.464 1.474 4.155) 4.433 13.504 ( 0.825 -0.663 3.514) 3.670 13.584 ( -0.798 2.578 6.218) 6.778 13.836 ( 1.711 5.822 -3.304) 6.910 13.991 ( 2.301 -4.740 -1.859) 5.587 14.120 ( 0.288 10.180 -2.787) 10.559 14.335 ( -2.515 2.375 -12.472) 12.943 14.848 ( 3.394 5.744 -18.296) 19.474 15.207 ( 5.350 -1.429 6.068) 8.215 15.431 ( -4.563 -3.442 5.289) 7.788 15.552 ( -0.530 3.859 3.781) 5.429 15.645 ( -6.278 -4.137 0.626) 7.544 15.690 ( 2.349 -4.204 1.693) 5.105 15.754 ( -1.199 -1.039 0.914) 1.831 15.891 ( -1.827 -8.882 7.097) 11.515 16.190 ( 3.769 5.479 -0.002) 6.650 16.329 ( 0.660 1.149 -2.837) 3.131 16.598 ( 0.362 -29.302 -0.920) 29.319 17.042 ( 1.195 3.421 7.044) 7.922 17.258 ( 2.494 -1.887 25.400) 25.592 17.957 ( -1.043 24.236 -15.255) 28.657 18.914 ( -2.820 -6.681 -14.873) 16.547 20.004 ( 2.811 2.677 3.542) 5.255 20.086 ( -3.480 1.591 4.056) 5.576 20.226 ( 1.522 -3.084 0.758) 3.522 20.293 ( 0.442 -6.221 2.343) 6.662 20.506 ( -0.858 4.906 -2.361) 5.512 20.559 ( -1.306 5.130 0.071) 5.294 20.588 ( -4.139 2.788 -3.003) 5.824 20.778 ( 4.229 -0.690 -2.510) 4.966 20.853 ( 1.197 0.481 0.741) 1.488 20.953 ( -3.400 0.596 -3.719) 5.074 21.158 ( -4.490 6.381 -11.468) 13.871 21.271 ( -1.071 -7.635 -4.230) 8.794 21.484 ( 5.236 2.560 -6.235) 8.536 21.608 ( -3.389 0.201 -2.024) 3.953 21.618 ( 0.646 0.281 -3.981) 4.043 21.699 ( -2.670 1.288 1.570) 3.354 21.820 ( 0.648 2.001 -3.146) 3.784 21.839 ( 1.620 10.642 -4.545) 11.685 21.961 ( 2.215 -1.247 -2.282) 3.416 22.130 ( 4.970 16.125 -8.918) 19.085 22.358 ( 1.753 -0.890 -4.285) 4.714 22.432 ( -1.189 0.988 -5.264) 5.487 22.749 ( -2.550 -2.829 5.045) 6.321 22.879 ( -3.023 -1.136 1.057) 3.398 22.985 ( 0.594 2.982 1.544) 3.410 23.091 ( -2.399 2.946 3.969) 5.494 23.191 ( 17.422 -1.177 5.926) 18.440 23.278 ( 2.338 -5.172 -0.808) 5.733 23.399 ( 0.448 2.532 5.250) 5.846 24.008 ( -4.487 -10.625 5.027) 12.581 24.379 ( -5.297 -1.838 8.334) 10.045 24.529 ( -0.049 -1.272 1.474) 1.948 24.591 ( 1.317 0.871 3.982) 4.284 24.903 ( 3.426 -6.306 1.503) 7.332 25.039 ( 6.492 -3.716 3.892) 8.433 25.079 ( 3.556 -1.481 3.166) 4.986 25.161 ( -0.771 1.958 2.576) 3.326 25.487 ( -3.306 -1.226 -2.091) 4.099 25.530 ( -7.868 -10.612 8.680) 15.807 25.817 ( 0.529 3.001 -0.890) 3.174 25.873 ( 0.099 6.185 2.076) 6.525 26.017 ( 0.417 1.331 0.399) 1.451 26.144 ( 0.574 0.639 3.165) 3.280 26.178 ( -1.573 -1.170 5.544) 5.881 26.405 ( -2.586 -1.598 -3.337) 4.514 26.532 ( 2.507 -1.746 2.144) 3.732 26.692 ( 2.483 -0.510 -2.960) 3.897 26.708 ( 3.207 -5.239 -4.755) 7.768 26.783 ( -6.053 5.358 -4.973) 9.492 26.818 ( -4.481 -0.452 -0.167) 4.507 26.938 ( 1.208 -0.814 1.207) 1.892 27.052 ( 3.829 2.223 -2.627) 5.148 27.216 ( -3.230 -0.850 0.017) 3.340 27.336 ( 4.479 -2.328 -9.555) 10.806 27.686 ( 6.034 8.006 -6.235) 11.806 28.014 ( 9.649 0.032 -12.209) 15.562 28.648 ( -7.431 4.872 20.027) 21.910 29.274 ( -12.859 -22.588 24.987) 36.055 29.695 ( -0.171 3.847 -2.270) 4.470 30.128 ( -1.045 -2.203 -8.046) 8.408 ======================= Grid point 66 (30/78) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 4.177 6.083 16.754) 18.307 1.849 ( 15.232 11.883 30.295) 35.930 1.985 ( 5.426 6.479 1.833) 8.647 2.237 ( 2.992 2.947 -0.507) 4.230 2.504 ( 3.278 10.181 4.540) 11.620 2.590 ( 1.359 4.113 -1.069) 4.461 2.949 ( 8.139 4.432 6.309) 11.211 3.135 ( 12.411 -5.335 -2.177) 13.683 3.277 ( 18.173 7.579 24.903) 31.747 3.341 ( 14.528 12.952 11.425) 22.569 3.572 ( 1.593 -3.038 4.342) 5.533 3.635 ( 15.718 14.133 1.192) 21.171 3.722 ( 4.307 1.216 0.236) 4.482 3.906 ( 8.679 -9.489 -1.839) 12.990 3.930 ( 4.130 -5.172 -10.098) 12.074 4.247 ( -1.464 3.510 -7.599) 8.497 4.503 ( 10.934 12.153 0.114) 16.348 4.670 ( -4.935 -2.475 15.715) 16.656 4.875 ( -6.275 -3.270 3.187) 7.761 5.025 ( 5.197 2.358 12.262) 13.525 5.065 ( 8.975 -3.937 5.871) 11.424 5.241 ( -2.909 5.859 -4.611) 8.003 5.395 ( 4.554 0.120 -10.170) 11.143 5.637 ( -2.189 2.182 12.511) 12.887 5.695 ( -5.911 -10.089 -21.083) 24.108 5.898 ( -3.300 7.454 -18.555) 20.266 6.087 ( -1.611 -3.602 -2.116) 4.477 6.192 ( -5.940 -0.689 -4.199) 7.307 6.296 ( 11.544 -2.411 -3.343) 12.258 6.506 ( -3.394 -7.089 7.689) 10.995 6.579 ( 11.599 -3.488 1.344) 12.187 6.668 ( 7.988 -0.985 13.602) 15.805 6.885 ( 4.735 4.798 8.207) 10.620 6.926 ( 9.831 -0.864 7.431) 12.354 7.139 ( 5.528 9.404 -4.757) 11.901 7.490 ( 6.775 -4.226 -2.067) 8.248 7.562 ( -0.989 6.379 -23.503) 24.373 7.653 ( -4.234 5.841 3.633) 8.077 7.750 ( -3.685 -4.170 0.110) 5.566 7.885 ( -1.128 0.162 -5.865) 5.974 8.234 ( 1.136 -9.165 4.427) 10.242 8.367 ( 4.313 1.411 21.769) 22.237 8.380 ( -8.599 1.034 -12.770) 15.430 8.467 ( 1.975 0.026 9.137) 9.348 8.699 ( -7.425 -4.413 -1.463) 8.761 8.881 ( -14.543 -8.528 -9.550) 19.376 9.255 ( 3.490 4.534 -12.560) 13.802 9.336 ( 3.740 0.304 -13.467) 13.980 9.588 ( 3.529 3.748 -7.456) 9.060 9.746 ( 7.558 5.799 -1.287) 9.613 9.808 ( 13.207 -4.609 6.439) 15.399 10.063 ( 3.265 -4.807 -2.200) 6.214 10.123 ( -1.056 -10.333 -1.524) 10.498 10.288 ( 2.688 -9.281 -1.565) 9.788 10.577 ( 8.162 -0.370 -2.451) 8.530 10.626 ( -1.224 -5.685 -7.178) 9.238 10.733 ( -1.351 -7.553 -3.634) 8.490 10.775 ( -0.667 -1.558 -0.447) 1.753 11.055 ( 0.336 0.194 5.223) 5.237 11.201 ( 0.375 4.125 2.247) 4.713 11.332 ( -12.512 3.908 3.922) 13.682 11.375 ( -2.858 8.908 -4.623) 10.435 11.466 ( 5.577 -2.380 7.912) 9.968 11.799 ( -3.997 -3.900 -1.422) 5.763 11.869 ( -0.280 -4.218 3.480) 5.475 12.116 ( -3.536 2.958 -2.574) 5.280 12.183 ( -6.358 -4.612 8.705) 11.725 12.308 ( -0.550 1.505 3.246) 3.620 12.415 ( 1.189 -4.860 4.129) 6.487 12.619 ( 8.173 -2.555 -3.693) 9.326 12.717 ( 9.196 -1.292 3.442) 9.904 12.859 ( 1.277 2.927 -3.821) 4.980 12.933 ( -4.758 4.851 10.405) 12.427 13.058 ( 6.908 14.075 0.471) 15.686 13.297 ( -2.421 3.708 6.624) 7.968 13.460 ( -5.805 -3.778 0.056) 6.926 13.670 ( 4.530 1.387 -2.321) 5.276 13.817 ( -0.569 2.302 -4.712) 5.275 14.009 ( 0.759 5.398 -3.424) 6.437 14.137 ( 3.520 4.936 2.440) 6.535 14.224 ( 1.957 1.173 -8.824) 9.114 14.643 ( -5.800 6.727 -18.284) 20.327 15.301 ( -3.404 -1.147 4.523) 5.776 15.374 ( -2.491 0.061 7.639) 8.035 15.519 ( -5.386 -1.378 -0.412) 5.575 15.615 ( -0.301 0.415 2.535) 2.586 15.666 ( -2.775 -0.772 0.349) 2.901 15.797 ( 3.328 -2.747 -0.011) 4.315 15.939 ( -2.847 -12.937 9.743) 16.444 16.248 ( 4.220 -9.829 -5.535) 12.044 16.372 ( 3.369 0.973 3.145) 4.710 16.564 ( -2.135 -19.662 -3.437) 20.074 17.101 ( -4.230 6.787 10.237) 12.991 17.501 ( -8.104 -3.575 33.426) 34.580 17.692 ( -9.959 22.827 -18.253) 30.877 18.558 ( -15.959 -5.808 -24.581) 29.877 20.066 ( -3.603 2.898 4.407) 6.388 20.130 ( 5.805 2.001 3.788) 7.215 20.215 ( -1.168 -0.422 -4.416) 4.588 20.319 ( -3.068 -1.117 4.530) 5.584 20.405 ( -4.048 1.547 -0.777) 4.402 20.528 ( -0.190 3.078 -4.200) 5.210 20.591 ( 3.506 -0.934 1.340) 3.868 20.790 ( -0.293 -0.987 -0.868) 1.347 20.866 ( -0.286 2.602 -0.195) 2.625 20.888 ( -0.537 0.116 -2.085) 2.156 21.022 ( -2.973 3.853 -1.002) 4.969 21.212 ( -0.550 -4.327 -4.407) 6.201 21.439 ( -1.821 2.454 -6.550) 7.228 21.493 ( -5.353 1.941 -1.839) 5.984 21.597 ( -2.158 -0.899 -0.644) 2.425 21.688 ( -2.964 1.258 2.916) 4.344 21.807 ( 0.102 1.856 -1.459) 2.363 21.830 ( 1.139 7.942 -1.699) 8.201 21.924 ( -2.048 -1.534 -0.802) 2.681 22.118 ( -1.191 3.570 -5.330) 6.525 22.266 ( -5.491 6.318 -2.669) 8.786 22.317 ( -6.232 -0.967 -2.590) 6.817 22.704 ( -6.437 -7.308 4.564) 10.755 22.814 ( -6.510 -7.288 0.296) 9.777 23.086 ( 8.754 3.483 -0.836) 9.458 23.164 ( 6.809 1.877 -2.536) 7.504 23.312 ( 4.277 -1.950 4.676) 6.630 23.441 ( 7.420 -2.612 2.486) 8.250 23.611 ( 11.626 6.577 7.390) 15.265 24.045 ( 9.671 -2.018 -6.657) 11.913 24.429 ( 1.566 -0.951 5.923) 6.200 24.531 ( 0.204 -2.133 -0.309) 2.165 24.706 ( 4.677 3.013 7.220) 9.115 24.852 ( -0.747 1.747 -5.738) 6.045 25.094 ( 1.329 -0.671 0.098) 1.492 25.112 ( -0.467 1.943 -1.585) 2.551 25.329 ( 5.646 -4.233 -3.658) 7.949 25.440 ( 0.753 -0.139 -1.432) 1.624 25.536 ( -1.497 -14.388 10.425) 17.830 25.806 ( -1.023 3.353 -0.431) 3.532 25.916 ( 1.878 3.683 2.739) 4.959 26.046 ( 2.479 -1.421 1.097) 3.061 26.172 ( -1.510 -0.387 4.254) 4.530 26.213 ( 0.509 -1.051 3.248) 3.451 26.344 ( -1.840 0.476 -0.046) 1.901 26.539 ( -2.001 1.150 -0.133) 2.312 26.622 ( -1.843 0.242 -0.387) 1.899 26.664 ( 0.250 -3.340 -2.575) 4.225 26.785 ( 2.109 2.262 0.732) 3.178 26.826 ( 5.594 -1.097 -5.629) 8.012 26.955 ( 0.820 1.875 -2.818) 3.483 27.154 ( 0.817 -0.914 -0.880) 1.509 27.173 ( 8.371 -1.720 -1.504) 8.677 27.378 ( 1.245 -11.734 -0.164) 11.801 27.776 ( 14.129 8.679 -10.611) 19.686 28.073 ( 10.778 -1.818 -12.013) 16.241 28.727 ( -6.069 4.196 19.966) 21.285 29.253 ( -13.799 -13.769 18.244) 26.700 29.620 ( -3.694 6.026 -4.691) 8.483 30.019 ( -3.511 -0.137 -2.726) 4.447 ======================= Grid point 67 (31/78) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -8.156 -9.719 6.209) 14.125 1.950 ( -0.215 -2.628 -0.060) 2.638 2.214 ( 1.164 -1.251 9.307) 9.462 2.474 ( 10.633 10.389 7.408) 16.609 2.675 ( 11.908 2.649 7.054) 14.091 2.809 ( 19.874 5.940 5.871) 21.557 3.137 ( 9.755 -12.884 -8.631) 18.320 3.244 ( 9.558 13.972 6.705) 18.207 3.579 ( 15.911 5.375 -5.716) 17.740 3.624 ( 7.103 6.273 -0.209) 9.479 3.637 ( 2.952 0.462 -1.173) 3.211 3.754 ( 6.874 1.009 -8.912) 11.300 3.927 ( 4.067 0.614 -1.242) 4.296 4.056 ( 13.206 -1.295 2.769) 13.555 4.215 ( 16.832 6.349 2.620) 18.180 4.238 ( 4.878 2.775 4.566) 7.235 4.697 ( -5.256 -2.977 6.553) 8.913 4.744 ( -7.304 3.286 2.445) 8.374 4.882 ( 20.653 7.564 19.289) 29.254 5.080 ( -0.229 -1.795 -2.881) 3.402 5.112 ( -2.463 6.987 4.218) 8.525 5.347 ( 1.241 -5.782 -20.886) 21.707 5.458 ( 10.921 -0.497 8.537) 13.870 5.530 ( 5.849 -4.409 6.553) 9.828 5.661 ( 1.274 5.324 -16.569) 17.450 5.755 ( -0.040 1.651 6.292) 6.506 6.030 ( 0.106 -1.008 -7.234) 7.305 6.059 ( -4.461 -2.290 -4.133) 6.498 6.278 ( -9.449 2.708 10.060) 14.065 6.571 ( -5.076 -2.648 10.999) 12.399 6.785 ( 2.005 -0.942 8.094) 8.391 6.961 ( -3.053 5.519 -6.779) 9.259 7.042 ( 13.451 0.871 -0.900) 13.509 7.095 ( 15.413 6.324 -0.240) 16.662 7.294 ( 10.718 -1.711 -1.834) 11.008 7.370 ( 3.061 0.347 -4.371) 5.348 7.570 ( 7.868 1.187 -10.522) 13.191 7.595 ( 1.098 -0.028 -6.026) 6.125 7.672 ( 2.352 0.430 -4.783) 5.347 7.954 ( 2.362 -4.761 7.467) 9.165 8.044 ( -3.511 -2.669 -15.967) 16.565 8.241 ( -1.346 -3.562 -1.948) 4.277 8.395 ( -6.298 -6.362 -8.423) 12.292 8.552 ( -0.048 -2.775 7.739) 8.222 8.762 ( 2.660 2.402 17.954) 18.308 8.839 ( 6.208 -5.837 17.845) 19.775 9.237 ( 6.740 5.715 -8.984) 12.601 9.269 ( 6.903 -0.659 -16.430) 17.833 9.640 ( 2.078 5.436 2.667) 6.401 9.819 ( 3.435 4.648 -6.181) 8.462 9.997 ( 0.195 -7.050 1.733) 7.263 10.143 ( 3.357 -7.238 -2.211) 8.279 10.164 ( 13.100 -13.085 -5.108) 19.207 10.368 ( 0.175 -7.077 2.251) 7.428 10.460 ( 2.642 -5.290 -2.953) 6.609 10.677 ( -0.606 0.969 0.512) 1.252 10.717 ( 8.537 -2.701 -4.677) 10.102 10.750 ( -0.493 -1.924 -0.977) 2.213 11.080 ( -13.415 3.310 3.848) 14.344 11.148 ( -0.410 3.470 -1.546) 3.821 11.320 ( 1.735 0.407 -3.588) 4.006 11.360 ( 10.309 1.135 8.812) 13.609 11.628 ( -2.397 -6.906 9.025) 11.614 11.763 ( -0.517 -1.836 2.027) 2.783 11.855 ( -2.310 2.377 0.412) 3.340 12.016 ( -1.146 -3.739 -2.317) 4.546 12.190 ( -4.473 2.691 5.853) 7.843 12.282 ( -5.390 1.123 2.363) 5.991 12.449 ( -2.503 2.199 6.113) 6.962 12.596 ( -3.815 9.703 -7.635) 12.923 12.799 ( 8.155 1.770 -1.869) 8.552 12.942 ( 7.508 -3.976 -4.296) 9.520 12.984 ( 5.978 -5.365 1.251) 8.129 13.283 ( 8.218 14.967 7.941) 18.831 13.348 ( 0.048 -0.700 7.023) 7.058 13.402 ( 3.217 2.654 -2.941) 5.104 13.668 ( 0.350 0.029 -6.899) 6.907 13.729 ( -4.296 -0.599 0.108) 4.338 14.008 ( 2.502 2.907 0.505) 3.869 14.185 ( 2.392 11.375 -3.061) 12.020 14.221 ( 0.710 -2.817 -1.451) 3.247 14.387 ( -4.439 8.379 -10.829) 14.394 15.248 ( -7.847 -0.321 5.078) 9.352 15.372 ( -8.127 0.910 4.869) 9.517 15.460 ( 2.190 0.002 -6.398) 6.762 15.562 ( -1.847 -1.049 -4.076) 4.597 15.671 ( -1.729 -0.647 3.461) 3.922 15.873 ( 2.389 -3.037 4.565) 5.981 15.966 ( -6.503 -14.807 13.580) 21.117 16.205 ( -3.909 -25.649 -4.894) 26.403 16.442 ( 0.345 0.639 -2.463) 2.568 16.516 ( 5.368 -3.585 -2.652) 6.978 17.099 ( -7.867 8.969 10.452) 15.861 17.304 ( -13.967 18.298 -15.992) 28.030 17.609 ( -17.476 -4.678 32.080) 36.830 17.956 ( -23.190 -4.105 -28.330) 36.840 20.039 ( -4.351 3.324 2.882) 6.188 20.103 ( -4.119 1.667 -3.932) 5.933 20.206 ( -2.244 2.102 0.014) 3.075 20.287 ( -3.022 1.993 1.942) 4.108 20.389 ( 0.245 -1.280 1.107) 1.710 20.478 ( -2.352 1.615 -1.155) 3.079 20.641 ( 1.319 -6.712 -1.577) 7.020 20.732 ( -4.785 -3.967 -3.885) 7.330 20.851 ( -1.274 5.029 0.193) 5.192 20.932 ( 4.723 5.709 2.621) 7.859 21.040 ( 2.185 1.583 5.642) 6.254 21.178 ( 1.008 -2.444 -3.135) 4.101 21.344 ( -4.202 1.633 -0.891) 4.595 21.413 ( -1.766 3.344 -0.943) 3.897 21.528 ( -5.706 -2.341 0.380) 6.179 21.635 ( -4.263 2.667 2.530) 5.629 21.797 ( 1.694 0.561 -3.093) 3.571 21.858 ( 2.627 3.326 0.338) 4.251 21.909 ( -2.874 0.652 3.181) 4.337 22.019 ( -1.290 0.802 -4.509) 4.758 22.177 ( -5.080 -2.146 -0.976) 5.600 22.209 ( -2.965 7.403 -0.412) 7.985 22.612 ( -8.167 -9.075 -0.286) 12.212 22.660 ( -8.606 -5.875 -3.179) 10.894 23.192 ( 4.554 0.916 -0.255) 4.652 23.235 ( 6.065 1.591 -7.201) 9.548 23.449 ( 4.216 -1.072 1.255) 4.528 23.523 ( 1.691 0.356 3.637) 4.027 23.902 ( 14.794 5.167 6.880) 17.114 24.217 ( 15.798 -2.172 -5.212) 16.777 24.502 ( 0.835 -0.665 0.641) 1.245 24.542 ( 1.516 -0.175 2.455) 2.890 24.791 ( 2.664 1.639 -3.892) 4.993 24.896 ( 6.775 3.096 4.972) 8.956 25.085 ( -1.174 2.440 -0.494) 2.752 25.099 ( 0.940 0.851 -2.499) 2.803 25.311 ( -2.094 -2.746 -0.762) 3.537 25.489 ( 8.088 3.039 -3.878) 9.470 25.590 ( -1.345 -5.835 3.895) 7.144 25.779 ( -1.670 4.762 -0.010) 5.047 25.976 ( 3.443 -0.156 0.950) 3.575 26.112 ( 3.116 0.203 1.145) 3.326 26.175 ( -1.128 -1.470 1.692) 2.509 26.264 ( 2.902 -2.302 1.309) 3.929 26.347 ( 0.187 1.472 3.159) 3.491 26.515 ( -1.124 2.725 0.793) 3.052 26.622 ( 1.914 -2.450 -2.823) 4.199 26.658 ( -0.564 -4.800 0.306) 4.843 26.826 ( 3.759 0.533 -0.955) 3.915 26.853 ( 0.701 -2.437 -1.246) 2.826 26.957 ( 1.356 0.839 -1.394) 2.118 27.141 ( 3.492 1.371 -2.016) 4.259 27.289 ( -2.164 -7.443 0.724) 7.785 27.397 ( 5.533 -6.310 0.791) 8.429 27.939 ( 16.129 4.659 -10.420) 19.759 28.139 ( 10.371 -1.889 -11.515) 15.612 28.819 ( -4.988 3.077 17.882) 18.818 29.173 ( -13.245 -6.446 13.559) 20.020 29.523 ( -0.474 6.956 -6.545) 9.563 29.954 ( -3.878 -3.336 0.977) 5.207 ======================= Grid point 68 (32/78) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -8.525 -11.005 6.663) 15.433 1.983 ( 0.400 2.305 6.619) 7.020 2.222 ( -6.416 2.382 0.814) 6.892 2.699 ( 14.390 -4.831 0.387) 15.184 2.915 ( 9.719 -3.410 -1.451) 10.402 2.951 ( -1.011 -4.052 -7.776) 8.827 3.332 ( 12.347 8.243 1.115) 14.888 3.525 ( 10.573 0.294 5.372) 11.863 3.580 ( 8.516 9.756 -15.849) 20.467 3.646 ( 4.495 3.433 -4.926) 7.500 3.796 ( 7.619 3.113 4.163) 9.224 3.885 ( 13.224 -0.713 -1.285) 13.305 4.046 ( 4.509 0.735 6.043) 7.576 4.270 ( 8.129 6.190 2.230) 10.459 4.387 ( 7.401 1.810 5.876) 9.622 4.431 ( 9.939 5.813 -1.047) 11.562 4.567 ( -3.017 -3.924 -2.653) 5.616 4.753 ( -2.404 0.563 7.932) 8.308 5.021 ( -3.262 -2.839 -2.131) 4.820 5.063 ( -1.671 5.705 1.196) 6.064 5.200 ( 3.654 -1.129 -11.474) 12.094 5.329 ( 2.869 -1.901 8.340) 9.022 5.491 ( -2.341 5.213 -13.202) 14.386 5.608 ( -0.904 -2.427 9.364) 9.715 5.787 ( 7.632 -2.454 5.355) 9.640 5.828 ( 4.786 -3.023 -1.898) 5.970 5.939 ( -4.299 -1.387 -2.804) 5.317 6.037 ( 0.500 -3.942 3.792) 5.492 6.351 ( 3.072 11.117 17.157) 20.674 6.493 ( -7.964 7.318 -3.960) 11.518 6.642 ( -7.737 8.366 2.056) 11.579 6.975 ( -3.073 -1.729 -0.956) 3.654 7.053 ( -4.232 -1.726 -11.813) 12.667 7.102 ( -5.070 0.744 -1.468) 5.330 7.369 ( 9.627 -4.159 3.763) 11.142 7.511 ( -6.041 2.175 -9.645) 11.587 7.529 ( -6.195 -5.795 13.633) 16.057 7.635 ( 3.255 -3.460 -3.729) 6.039 7.733 ( 8.504 0.194 5.448) 10.101 8.050 ( 16.740 -4.705 -2.524) 17.571 8.138 ( 2.547 -4.510 -5.676) 7.684 8.235 ( 12.017 -1.123 4.798) 12.988 8.421 ( 22.062 -5.674 -14.639) 27.078 8.759 ( 14.460 0.371 4.793) 15.238 8.958 ( 2.462 -4.506 8.578) 9.998 9.069 ( 5.566 -0.309 6.181) 8.323 9.273 ( 4.569 4.202 -6.816) 9.220 9.323 ( 15.030 3.911 -7.011) 17.040 9.688 ( 1.004 2.323 3.662) 4.451 9.831 ( 1.276 7.256 4.161) 8.461 9.916 ( -3.102 2.794 -0.604) 4.218 10.130 ( -1.928 -2.599 -6.324) 7.103 10.175 ( -8.428 -0.979 -2.431) 8.826 10.439 ( 12.821 -10.950 -6.795) 18.179 10.570 ( -10.192 6.379 -0.453) 12.032 10.645 ( 8.739 -6.974 8.788) 14.221 10.801 ( 4.933 0.133 1.853) 5.271 10.889 ( -9.666 2.705 1.668) 10.175 10.914 ( 15.239 -10.761 -5.746) 19.520 11.134 ( 1.453 -4.979 -4.231) 6.693 11.334 ( 3.829 -4.367 -3.228) 6.645 11.562 ( -1.790 0.125 5.636) 5.915 11.620 ( 6.143 -5.912 4.254) 9.528 11.807 ( -1.840 -1.487 3.910) 4.570 11.850 ( -2.616 -2.428 4.616) 5.835 11.965 ( -6.261 -2.852 2.845) 7.445 12.103 ( -4.742 3.029 -6.338) 8.475 12.215 ( -2.380 5.121 -2.110) 6.028 12.411 ( -7.248 8.876 7.583) 13.742 12.540 ( 0.488 11.112 0.222) 11.125 12.893 ( 5.407 -4.019 -9.075) 11.303 13.021 ( 8.614 -4.379 1.162) 9.733 13.168 ( 14.749 -3.742 -3.706) 15.661 13.322 ( 1.768 12.137 -9.849) 15.730 13.428 ( 1.773 0.208 2.144) 2.790 13.554 ( 7.741 5.550 7.266) 11.980 13.646 ( 5.650 3.772 1.303) 6.917 13.709 ( -1.294 -5.811 3.181) 6.750 14.042 ( 2.638 -6.239 -4.705) 8.247 14.164 ( 0.345 0.686 -4.794) 4.855 14.230 ( -1.246 7.076 2.257) 7.532 14.414 ( 10.516 13.940 9.898) 20.072 15.132 ( -11.414 -0.079 5.705) 12.760 15.187 ( -13.213 1.334 -3.714) 13.790 15.434 ( 2.750 0.346 -9.734) 10.120 15.493 ( -2.918 -3.578 -4.345) 6.340 15.620 ( -8.064 -3.208 0.942) 8.730 15.853 ( -6.207 -11.494 -7.327) 14.977 15.975 ( -9.159 -14.930 14.534) 22.760 16.129 ( -0.220 -9.727 6.065) 11.465 16.443 ( 3.339 5.473 -1.103) 6.505 16.608 ( 5.504 -3.680 -2.393) 7.040 16.915 ( -11.798 9.183 -10.600) 18.327 17.082 ( -8.098 10.593 6.176) 14.694 17.295 ( -22.265 -3.222 -22.226) 31.624 17.536 ( -22.597 -3.435 22.894) 32.351 19.956 ( -6.819 2.724 0.166) 7.345 20.010 ( -3.482 2.137 -1.933) 4.520 20.129 ( -4.931 -1.356 0.931) 5.198 20.258 ( -3.252 2.886 2.439) 4.985 20.388 ( -3.009 -1.219 2.372) 4.021 20.449 ( -0.351 -0.694 -0.122) 0.787 20.562 ( -5.013 -4.201 -1.828) 6.791 20.659 ( -1.194 -3.596 -2.133) 4.348 20.808 ( -1.797 4.197 -2.302) 5.113 20.989 ( -2.498 9.523 0.581) 9.862 21.116 ( 1.132 1.908 1.703) 2.797 21.193 ( 3.190 -1.076 -1.145) 3.556 21.321 ( -1.718 -0.628 6.311) 6.571 21.414 ( 2.274 0.167 -0.765) 2.405 21.497 ( 2.522 0.184 1.713) 3.054 21.616 ( -2.435 -1.431 4.365) 5.199 21.801 ( 2.715 1.225 -4.263) 5.201 21.877 ( -1.218 3.411 0.598) 3.671 21.915 ( -0.099 2.684 4.268) 5.043 21.979 ( -1.225 -1.610 -2.454) 3.180 22.118 ( -0.181 -1.800 -1.473) 2.333 22.180 ( -0.676 3.428 0.277) 3.505 22.418 ( -9.496 -6.559 -4.378) 12.344 22.502 ( -7.496 -2.465 -2.490) 8.274 23.225 ( 3.498 1.430 -6.985) 7.942 23.250 ( 2.448 -0.039 -2.727) 3.665 23.426 ( -3.589 3.030 0.592) 4.734 23.650 ( 6.106 -1.007 3.131) 6.935 24.203 ( 12.232 1.212 5.995) 13.676 24.416 ( 10.565 -2.480 -3.047) 11.272 24.493 ( 0.302 0.158 0.579) 0.672 24.607 ( 1.162 -1.627 3.866) 4.353 24.826 ( 5.859 2.842 -4.012) 7.648 25.003 ( 2.626 -1.547 -1.535) 3.413 25.061 ( -0.704 2.487 -0.983) 2.765 25.153 ( 5.139 6.142 4.023) 8.962 25.266 ( -2.740 -2.073 0.275) 3.447 25.575 ( -0.308 -0.904 -1.000) 1.383 25.610 ( 6.598 3.056 -1.709) 7.469 25.761 ( -0.352 5.079 0.752) 5.147 26.055 ( 4.543 -0.712 0.497) 4.625 26.163 ( 2.994 3.393 -0.877) 4.609 26.182 ( 0.868 -1.389 0.403) 1.687 26.314 ( 3.225 -3.348 -2.742) 5.397 26.403 ( 1.479 0.426 4.567) 4.819 26.494 ( -0.476 3.332 -1.873) 3.851 26.624 ( 1.632 -4.015 -4.829) 6.489 26.651 ( -1.882 -2.688 4.538) 5.599 26.821 ( -1.138 0.942 -2.649) 3.033 26.879 ( 0.061 -3.452 2.967) 4.552 26.971 ( 1.498 -4.642 -0.435) 4.897 27.186 ( 0.638 -2.712 -5.484) 6.151 27.253 ( -0.862 -1.681 9.213) 9.405 27.498 ( 4.318 -3.880 0.119) 5.806 28.099 ( 13.061 2.134 -8.423) 15.687 28.205 ( 9.594 -1.061 -9.688) 13.676 28.891 ( -4.729 1.865 13.656) 14.571 29.079 ( -11.052 -2.386 10.172) 15.208 29.489 ( 3.714 5.576 -6.691) 9.468 29.893 ( -3.787 -4.299 -0.396) 5.743 ======================= Grid point 69 (33/78) ======================= q-point: ( 0.40 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -4.891 -6.446 11.940) 14.423 2.059 ( -1.786 18.228 -0.713) 18.329 2.098 ( -3.648 -6.371 6.606) 9.876 2.788 ( -2.725 2.461 -7.903) 8.715 2.928 ( 11.164 -13.378 -0.820) 17.444 3.068 ( 6.269 -6.058 -0.338) 8.724 3.366 ( 4.703 0.084 -8.494) 9.710 3.586 ( 0.522 1.921 -4.120) 4.576 3.629 ( 8.659 9.672 -14.816) 19.699 3.748 ( 4.868 2.995 0.227) 5.720 3.984 ( 5.628 0.439 6.949) 8.953 4.108 ( 0.710 -2.724 1.884) 3.387 4.137 ( 11.625 4.376 6.299) 13.927 4.393 ( -0.915 0.767 -2.908) 3.143 4.455 ( 6.269 3.565 4.695) 8.605 4.577 ( 4.148 2.034 3.653) 5.890 4.628 ( -0.297 -2.897 4.969) 5.759 4.828 ( 4.663 0.340 2.509) 5.306 4.913 ( -4.699 0.306 -1.455) 4.928 5.075 ( -0.962 6.553 3.896) 7.684 5.241 ( 1.931 9.320 -2.527) 9.848 5.314 ( -6.089 -0.102 3.265) 6.910 5.343 ( 6.819 -3.720 -5.236) 9.367 5.658 ( -3.588 -6.544 3.347) 8.180 5.763 ( -5.152 -1.561 4.197) 6.826 5.896 ( -0.615 -4.392 4.616) 6.401 5.966 ( -1.558 -5.902 7.720) 9.841 6.101 ( 5.048 0.992 1.134) 5.268 6.333 ( -0.864 10.165 -5.025) 11.372 6.547 ( 1.344 6.421 7.963) 10.317 6.610 ( -6.894 4.795 11.298) 14.077 6.790 ( -6.961 3.706 -0.183) 7.888 6.946 ( 0.731 -2.748 -2.015) 3.485 7.094 ( -4.150 1.891 4.010) 6.073 7.249 ( -2.282 -10.630 -15.512) 18.943 7.534 ( -2.143 -0.732 1.393) 2.659 7.580 ( -1.316 -2.736 13.958) 14.284 7.635 ( -2.373 1.359 2.230) 3.529 7.829 ( -2.392 -3.294 5.848) 7.125 8.050 ( 0.360 -14.189 -5.075) 15.074 8.406 ( 15.967 4.117 -4.268) 17.033 8.486 ( 11.763 -3.010 2.826) 12.466 8.624 ( 13.571 -9.305 -12.352) 20.575 9.007 ( 10.005 -1.449 -5.824) 11.667 9.061 ( 17.154 2.361 -12.457) 21.331 9.244 ( 5.948 1.801 7.131) 9.459 9.278 ( 6.926 4.710 -7.027) 10.933 9.522 ( 8.296 6.544 -0.599) 10.583 9.744 ( -0.676 1.971 3.220) 3.835 9.866 ( -3.440 6.195 6.727) 9.771 9.945 ( -1.823 3.147 -0.863) 3.738 9.989 ( -6.344 1.791 0.969) 6.663 10.094 ( 7.827 8.230 1.746) 11.491 10.288 ( -20.100 8.235 -1.206) 21.755 10.539 ( 7.263 -5.041 -7.956) 11.894 10.738 ( -5.275 -1.493 -0.082) 5.483 10.907 ( 7.099 -4.510 7.256) 11.108 10.969 ( 10.196 -4.558 2.179) 11.379 11.009 ( 4.439 -5.867 -8.008) 10.874 11.130 ( 1.907 -9.861 -3.167) 10.531 11.329 ( -0.078 -5.612 -4.311) 7.077 11.600 ( 2.507 -2.346 -2.778) 4.417 11.694 ( -11.304 -5.332 0.826) 12.525 11.736 ( 3.105 -8.984 -0.746) 9.534 11.880 ( -0.897 -1.845 7.568) 7.841 11.897 ( -4.922 -3.827 3.571) 7.185 12.011 ( -0.011 1.074 -5.320) 5.428 12.136 ( -2.808 3.576 -1.697) 4.853 12.375 ( -1.824 15.092 2.354) 15.383 12.581 ( 2.803 15.507 0.868) 15.782 12.903 ( 3.576 -1.121 -1.401) 4.001 13.159 ( 4.906 -3.388 -1.981) 6.282 13.224 ( -4.471 5.063 -0.474) 6.772 13.380 ( 11.607 -4.369 -1.965) 12.557 13.479 ( 7.343 -0.081 -5.652) 9.267 13.668 ( 2.295 3.984 2.246) 5.117 13.769 ( 4.843 -1.001 2.129) 5.384 13.877 ( 12.761 1.790 -0.049) 12.886 14.084 ( 3.294 -4.490 2.283) 6.019 14.148 ( -1.130 -3.072 2.783) 4.296 14.290 ( 10.522 5.314 2.208) 11.993 14.625 ( -4.658 8.625 0.886) 9.842 14.988 ( -11.408 1.366 0.874) 11.522 15.024 ( 2.928 -0.349 5.199) 5.977 15.283 ( -13.672 -1.574 -1.197) 13.814 15.380 ( -6.317 -5.594 -2.254) 8.734 15.449 ( -3.569 -8.605 -7.617) 12.033 15.633 ( -4.928 -0.316 -11.084) 12.134 16.015 ( -5.867 -6.167 16.237) 18.333 16.152 ( -2.646 -2.428 -3.157) 4.782 16.492 ( 1.231 3.485 -1.748) 4.089 16.611 ( -1.304 -3.465 -4.731) 6.007 16.706 ( -2.191 -0.274 -5.081) 5.540 16.840 ( -4.614 -2.829 -8.375) 9.971 17.044 ( -7.210 8.781 5.059) 12.437 17.334 ( -19.748 -0.325 12.405) 23.323 19.857 ( -4.240 1.980 1.084) 4.804 19.956 ( -1.716 1.149 0.215) 2.076 20.075 ( -3.729 -3.585 2.815) 5.889 20.200 ( -6.390 -0.818 3.725) 7.441 20.379 ( 0.166 0.261 1.758) 1.785 20.437 ( -0.282 -1.467 -0.505) 1.577 20.510 ( -1.981 0.945 0.761) 2.323 20.639 ( -0.551 -2.309 2.608) 3.526 20.772 ( 0.232 3.390 -1.354) 3.658 20.922 ( -3.835 10.319 0.954) 11.050 21.124 ( 0.351 -0.054 -1.718) 1.754 21.229 ( 1.700 -0.233 -0.590) 1.814 21.342 ( -3.501 -0.917 5.360) 6.467 21.469 ( 2.751 -2.684 -0.132) 3.846 21.567 ( 3.779 -0.139 -1.562) 4.092 21.645 ( 1.882 -5.122 3.369) 6.413 21.775 ( -0.285 3.562 -6.594) 7.499 21.871 ( 2.133 2.060 -2.706) 4.014 21.898 ( -4.937 -0.138 0.274) 4.946 21.954 ( -0.132 2.884 -0.898) 3.023 22.087 ( -0.982 0.054 -5.731) 5.815 22.203 ( 0.728 -1.815 3.892) 4.356 22.258 ( -4.691 -1.124 -1.822) 5.156 22.388 ( -2.914 0.016 -0.702) 2.997 23.241 ( 2.799 -0.303 -2.313) 3.644 23.252 ( 2.587 -0.090 -1.629) 3.058 23.391 ( -2.478 5.455 2.738) 6.587 23.751 ( 2.969 -1.824 1.395) 3.753 24.396 ( 4.090 -0.856 3.959) 5.756 24.479 ( 2.282 1.560 1.063) 2.962 24.572 ( 3.165 -2.387 2.571) 4.725 24.660 ( 0.970 -2.801 4.349) 5.263 24.898 ( 6.267 2.682 -2.871) 7.396 25.015 ( 0.971 -0.848 -0.912) 1.579 25.043 ( -0.384 2.141 -0.937) 2.369 25.177 ( -1.117 0.434 -5.270) 5.404 25.312 ( 1.804 3.118 7.438) 8.265 25.551 ( -1.352 0.560 0.262) 1.487 25.664 ( 3.056 5.490 -4.044) 7.472 25.790 ( 2.531 2.400 -0.029) 3.488 26.121 ( 2.914 0.852 -0.490) 3.076 26.201 ( 1.743 3.484 -0.761) 3.969 26.205 ( 2.122 0.177 -0.673) 2.233 26.332 ( 3.029 -3.985 -2.959) 5.815 26.458 ( 1.702 0.944 0.628) 2.045 26.473 ( -0.378 2.834 -1.846) 3.403 26.581 ( -1.565 -3.939 -2.858) 5.112 26.662 ( -1.666 -1.827 0.530) 2.529 26.789 ( 0.136 2.028 -0.292) 2.053 26.892 ( -1.946 -4.968 3.886) 6.600 26.983 ( 0.726 -7.431 -1.916) 7.708 27.119 ( -1.747 -3.556 -3.924) 5.576 27.375 ( 1.115 0.554 12.193) 12.256 27.558 ( 1.728 -3.130 3.419) 4.947 28.210 ( 8.746 1.330 -7.135) 11.366 28.276 ( 8.170 -0.526 -7.175) 10.886 28.913 ( -5.584 1.101 8.893) 10.558 29.004 ( -8.270 -0.745 8.348) 11.774 29.503 ( 5.185 3.831 -7.250) 9.701 29.815 ( -2.586 -3.494 -4.531) 6.279 ======================= Grid point 70 (34/78) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -7.017 -0.690 11.120) 13.167 1.981 ( -2.091 11.520 -1.559) 11.811 2.181 ( -0.664 -3.440 9.768) 10.377 2.769 ( 7.071 2.293 -2.718) 7.915 3.018 ( -0.048 -13.621 -0.942) 13.653 3.117 ( -0.723 -9.588 -1.987) 9.818 3.419 ( -0.765 -1.615 -3.969) 4.353 3.463 ( 6.576 -3.579 -9.927) 12.434 3.667 ( -0.142 8.215 -7.880) 11.384 3.775 ( 5.330 7.656 0.207) 9.331 4.030 ( -7.213 1.164 4.260) 8.457 4.146 ( 0.958 3.418 -0.982) 3.683 4.282 ( -1.237 3.595 -0.614) 3.851 4.380 ( 6.010 1.463 2.360) 6.620 4.506 ( -7.357 4.988 -2.006) 9.112 4.541 ( -3.959 0.316 1.825) 4.371 4.737 ( -6.946 -2.591 2.660) 7.877 4.781 ( 5.020 0.681 9.545) 10.806 4.948 ( 2.694 1.899 -1.325) 3.552 5.065 ( -7.585 7.214 2.432) 10.746 5.184 ( 2.648 0.102 0.291) 2.666 5.330 ( 9.741 0.598 -5.667) 11.285 5.527 ( -11.014 -0.975 11.395) 15.878 5.687 ( 11.891 -1.385 13.549) 18.080 5.769 ( -0.370 -8.130 1.162) 8.221 5.962 ( -1.479 -3.903 10.261) 11.078 5.967 ( -5.826 -2.864 9.606) 11.593 6.134 ( -0.433 -4.179 -2.574) 4.928 6.338 ( 2.877 8.517 0.726) 9.019 6.582 ( -8.287 5.602 8.918) 13.401 6.627 ( -1.934 5.396 5.864) 8.200 6.832 ( 7.362 2.554 9.164) 12.029 6.960 ( -4.409 0.427 0.961) 4.533 7.100 ( 6.394 -0.136 2.341) 6.810 7.151 ( 3.138 -10.033 -6.289) 12.250 7.501 ( -0.555 -2.161 -1.066) 2.472 7.574 ( -7.180 3.064 7.116) 10.563 7.641 ( 0.793 1.924 4.985) 5.402 7.814 ( -4.419 -3.282 2.051) 5.874 8.032 ( 2.517 -10.273 -3.924) 11.281 8.489 ( 2.663 -5.619 -13.670) 15.018 8.542 ( -5.029 -6.084 0.010) 7.893 8.657 ( 0.496 5.271 -11.444) 12.609 9.066 ( 5.035 -4.677 -8.968) 11.299 9.175 ( -10.347 -0.226 0.973) 10.395 9.274 ( 17.496 4.371 -9.497) 20.382 9.347 ( 6.289 5.793 -14.210) 16.584 9.566 ( -0.620 8.162 -2.218) 8.480 9.736 ( 3.596 3.516 -0.790) 5.090 9.854 ( -14.937 6.701 -2.055) 16.499 9.902 ( -5.013 5.811 2.117) 7.961 9.948 ( -0.985 -0.278 8.733) 8.793 10.091 ( 6.433 1.156 3.386) 7.362 10.263 ( 1.687 8.493 11.311) 14.245 10.555 ( -3.821 -5.079 -0.679) 6.391 10.693 ( 5.943 -1.042 -6.408) 8.801 10.871 ( -8.169 -3.964 -5.417) 10.573 10.985 ( -0.570 -2.700 -2.390) 3.650 11.150 ( 4.522 -7.580 2.412) 9.150 11.210 ( 12.420 -18.169 -8.023) 23.425 11.284 ( -0.892 -0.769 1.750) 2.110 11.514 ( -9.935 -10.417 -9.749) 17.386 11.622 ( 3.760 0.098 -1.791) 4.166 11.697 ( -7.519 -2.959 0.972) 8.139 11.771 ( 0.265 -3.712 0.465) 3.750 11.946 ( -5.600 -8.931 7.378) 12.867 12.037 ( 6.754 8.066 -1.736) 10.662 12.130 ( 2.222 4.522 -1.174) 5.173 12.392 ( -0.296 17.594 1.230) 17.639 12.608 ( -0.785 15.508 -0.788) 15.547 12.951 ( -0.303 -1.627 1.651) 2.338 13.138 ( 0.746 4.108 4.843) 6.394 13.220 ( -1.710 -2.215 -1.482) 3.167 13.500 ( 2.029 -3.172 -0.743) 3.838 13.548 ( 6.233 -2.712 -5.194) 8.555 13.719 ( 0.831 2.797 2.530) 3.862 13.859 ( -1.011 -1.521 2.002) 2.710 13.949 ( 1.828 -0.445 -4.259) 4.656 14.081 ( -4.187 -3.002 -0.405) 5.168 14.113 ( -7.224 -2.053 0.487) 7.526 14.523 ( -1.941 1.848 8.680) 9.084 14.587 ( 5.124 7.082 0.699) 8.769 14.837 ( 4.227 -1.696 -4.679) 6.530 14.952 ( -5.015 3.205 -4.948) 7.739 15.158 ( -7.486 2.668 6.567) 10.309 15.257 ( 2.307 -7.958 -5.976) 10.216 15.495 ( 1.588 3.246 -9.965) 10.601 15.608 ( 13.511 -13.165 10.514) 21.596 15.973 ( -5.741 -2.233 -12.892) 14.288 16.033 ( -8.299 -1.605 11.800) 14.515 16.463 ( 0.848 -0.811 -7.348) 7.441 16.550 ( 3.524 -3.702 -8.157) 9.626 16.728 ( 6.666 1.406 3.242) 7.544 16.934 ( 7.889 -2.065 8.120) 11.508 16.961 ( -4.759 6.123 1.085) 7.831 17.156 ( -8.099 2.478 3.277) 9.081 19.851 ( 0.717 1.661 3.499) 3.939 19.951 ( -0.196 0.964 1.047) 1.437 20.063 ( -1.006 -3.317 3.788) 5.135 20.164 ( -1.215 -2.247 3.256) 4.139 20.385 ( -1.010 0.409 0.165) 1.102 20.449 ( 0.278 0.458 0.893) 1.041 20.501 ( 0.182 2.010 3.787) 4.291 20.701 ( 2.244 -1.964 7.005) 7.613 20.792 ( 1.974 2.405 0.461) 3.146 20.908 ( 0.303 8.027 2.880) 8.533 21.109 ( 0.680 -0.918 -2.670) 2.905 21.240 ( -1.579 -0.667 1.198) 2.092 21.293 ( -3.879 1.168 -1.210) 4.227 21.479 ( -0.963 -3.257 -0.477) 3.430 21.550 ( -1.388 -2.476 -6.838) 7.403 21.673 ( -3.494 -3.598 -1.567) 5.255 21.727 ( 3.567 4.256 -6.082) 8.236 21.831 ( 0.191 0.596 -0.657) 0.908 21.895 ( 3.311 1.889 -2.900) 4.790 21.904 ( -4.600 2.854 -2.310) 5.885 21.999 ( 0.787 1.464 -4.739) 5.022 22.177 ( -1.602 -5.116 -1.383) 5.536 22.314 ( 4.754 -0.745 3.132) 5.741 22.383 ( 1.155 0.569 1.751) 2.173 23.253 ( 1.650 1.253 -1.542) 2.582 23.313 ( 1.231 0.793 1.323) 1.973 23.414 ( 0.990 4.161 7.513) 8.645 23.770 ( -1.238 -2.126 -0.774) 2.579 24.456 ( -0.792 -0.813 4.579) 4.718 24.514 ( -1.272 0.697 2.381) 2.788 24.619 ( -0.848 -0.874 3.905) 4.090 24.705 ( -1.924 -1.861 5.106) 5.765 24.969 ( 3.467 0.104 -1.670) 3.849 25.015 ( -0.590 -0.316 -1.099) 1.287 25.033 ( 1.133 1.267 -0.947) 1.946 25.110 ( 0.145 1.448 -5.192) 5.392 25.356 ( -3.449 3.147 3.989) 6.141 25.552 ( 0.550 0.412 1.955) 2.073 25.668 ( 2.356 6.177 -3.731) 7.591 25.812 ( 0.712 1.012 -1.600) 2.023 26.139 ( -0.070 1.436 -0.872) 1.681 26.204 ( -0.250 1.925 -0.895) 2.138 26.225 ( 0.820 2.312 -0.895) 2.611 26.357 ( 0.002 -0.239 -2.302) 2.314 26.423 ( -0.067 -0.662 -3.099) 3.170 26.506 ( 0.189 -0.720 -0.794) 1.088 26.514 ( -1.111 -1.720 -0.149) 2.053 26.608 ( -0.014 0.718 -5.456) 5.503 26.821 ( 0.583 -3.774 3.241) 5.008 26.907 ( -0.467 -2.034 3.316) 3.918 26.949 ( -0.524 -8.310 -3.520) 9.039 27.066 ( -0.212 -2.331 -3.241) 3.998 27.496 ( -2.221 0.291 14.074) 14.251 27.636 ( 0.541 -2.853 7.758) 8.283 28.252 ( 4.761 1.323 -8.083) 9.474 28.336 ( 6.074 -0.703 -6.118) 8.649 28.879 ( -6.582 0.923 5.657) 8.728 28.958 ( -7.241 -0.607 9.524) 11.980 29.507 ( 3.867 2.768 -7.972) 9.283 29.729 ( 0.215 -2.260 -8.385) 8.687 ======================= Grid point 71 (35/78) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.998 1.395 12.438) 12.556 1.943 ( -0.836 10.717 -0.565) 10.764 2.245 ( -2.923 -9.890 8.919) 13.634 2.787 ( -5.804 -7.123 -5.842) 10.889 2.938 ( -13.255 -8.568 -9.079) 18.208 3.050 ( 4.466 -8.939 -0.853) 10.029 3.245 ( -5.408 5.659 -8.216) 11.348 3.473 ( -11.587 12.046 -1.483) 16.780 3.638 ( 10.187 -6.025 -7.314) 13.913 3.842 ( -2.873 5.229 2.690) 6.545 3.927 ( -4.139 3.799 2.587) 6.185 4.094 ( -6.160 4.000 1.006) 7.413 4.256 ( -3.385 10.638 4.707) 12.115 4.362 ( -8.651 -0.683 -2.214) 8.956 4.436 ( -2.048 -1.036 0.097) 2.297 4.474 ( -0.351 1.885 0.287) 1.939 4.667 ( -6.763 1.088 8.955) 11.274 4.886 ( -9.370 8.223 -2.308) 12.679 4.964 ( 0.667 1.274 -0.794) 1.643 4.986 ( 5.838 -0.047 5.565) 8.065 5.307 ( 6.090 -1.614 4.893) 7.977 5.386 ( -0.733 -6.495 -8.444) 10.678 5.471 ( -5.481 6.187 5.898) 10.154 5.712 ( -6.452 -3.051 1.613) 7.317 5.844 ( -6.178 -3.887 5.855) 9.357 5.975 ( -6.808 -4.538 8.069) 11.491 6.084 ( 5.321 -4.025 8.323) 10.668 6.088 ( -4.204 -8.238 4.010) 10.081 6.453 ( 1.446 7.000 2.915) 7.719 6.493 ( -9.527 6.126 7.874) 13.795 6.582 ( -1.657 5.426 0.734) 5.720 6.776 ( -0.079 -1.970 -6.474) 6.767 7.162 ( 6.781 2.425 -3.678) 8.086 7.183 ( -1.197 -2.657 5.262) 6.015 7.281 ( 11.919 0.079 13.148) 17.747 7.461 ( -0.842 -1.237 4.235) 4.492 7.680 ( -1.504 -0.727 -3.361) 3.753 7.733 ( 4.949 -2.714 0.844) 5.707 7.816 ( 9.033 3.832 20.169) 22.429 8.088 ( 6.754 -5.256 -0.409) 8.568 8.214 ( -9.435 1.476 -14.083) 17.016 8.312 ( -13.001 5.260 -19.542) 24.054 8.573 ( -1.205 -4.260 0.838) 4.505 8.800 ( -21.887 -2.050 -9.505) 23.950 9.067 ( -8.751 -5.277 6.713) 12.227 9.215 ( -10.212 -1.227 -9.976) 14.329 9.428 ( -0.908 9.607 -9.041) 13.223 9.529 ( -8.712 4.908 -0.763) 10.029 9.612 ( 13.715 -0.940 0.965) 13.781 9.806 ( -1.410 1.309 4.554) 4.943 9.930 ( 6.138 0.826 -1.745) 6.434 10.061 ( 5.584 0.191 -6.921) 8.894 10.177 ( 0.580 -6.069 -1.213) 6.216 10.389 ( -2.053 5.960 14.267) 15.597 10.473 ( 1.199 2.814 1.042) 3.231 10.677 ( -3.727 -5.919 -3.561) 7.849 10.768 ( -0.998 -4.166 0.888) 4.375 10.919 ( -3.784 -7.724 -1.629) 8.755 11.174 ( -5.127 -7.485 -14.407) 17.026 11.194 ( -5.005 -1.058 1.656) 5.377 11.323 ( 4.642 -8.145 -6.267) 11.277 11.351 ( 7.415 -6.540 -0.044) 9.887 11.574 ( -6.865 0.259 -0.573) 6.893 11.669 ( 1.311 3.425 -0.967) 3.793 11.855 ( 4.068 -5.838 3.129) 7.773 11.927 ( -2.874 -3.780 7.635) 8.992 12.112 ( 3.644 8.354 -1.757) 9.282 12.171 ( 3.542 1.767 -3.811) 5.495 12.329 ( -7.199 15.071 2.266) 16.855 12.555 ( -1.987 12.883 -3.345) 13.458 12.978 ( 0.658 -1.746 2.749) 3.322 13.108 ( -8.164 -1.302 1.111) 8.342 13.201 ( -0.751 -0.776 -2.886) 3.082 13.433 ( -4.696 -3.984 -8.201) 10.255 13.554 ( -5.339 -0.668 -1.879) 5.699 13.663 ( -15.040 4.012 3.807) 16.024 13.752 ( -1.161 6.242 4.103) 7.560 13.801 ( -6.591 -4.520 1.867) 8.207 14.097 ( 0.578 3.497 0.662) 3.606 14.175 ( 9.128 -0.310 4.169) 10.039 14.360 ( -12.368 3.104 -4.584) 13.551 14.645 ( -1.355 0.315 13.747) 13.818 14.828 ( -0.429 -4.871 -9.763) 10.919 15.044 ( 1.948 6.975 -0.470) 7.257 15.203 ( 19.423 4.270 -5.929) 20.752 15.431 ( 13.226 -3.478 5.072) 14.586 15.508 ( 5.270 -2.469 -1.861) 6.110 15.733 ( 3.057 -6.744 -14.871) 16.613 15.873 ( -4.557 -4.617 9.559) 11.552 16.062 ( 3.442 -15.953 9.037) 18.655 16.381 ( 4.036 -3.974 -13.335) 14.488 16.589 ( 5.574 -2.314 -4.506) 7.532 16.802 ( -5.136 3.871 -4.428) 7.808 16.942 ( -7.147 1.731 -2.206) 7.678 17.001 ( 13.663 12.344 6.805) 19.631 17.441 ( 27.143 -2.339 11.340) 29.509 19.922 ( 2.609 1.773 3.223) 4.509 19.961 ( 1.311 1.811 -0.399) 2.272 20.118 ( 2.651 -3.544 4.096) 6.030 20.221 ( 4.593 -1.925 1.955) 5.351 20.368 ( -1.623 1.584 2.017) 3.035 20.452 ( -0.016 2.364 0.897) 2.529 20.593 ( 3.732 -0.523 5.875) 6.979 20.810 ( 1.094 3.106 -0.554) 3.339 20.834 ( 1.727 -2.783 8.206) 8.835 20.987 ( 4.224 3.833 3.573) 6.730 21.087 ( -3.117 -0.857 -1.799) 3.700 21.145 ( -4.363 3.874 -2.653) 6.409 21.261 ( 1.544 1.360 -1.077) 2.322 21.419 ( -4.706 -4.271 -6.921) 9.396 21.456 ( -0.354 -2.231 -2.915) 3.688 21.568 ( -3.100 1.667 1.146) 3.701 21.765 ( 6.502 2.389 -7.396) 10.133 21.819 ( -2.947 3.144 1.433) 4.541 21.858 ( 2.432 1.178 -1.617) 3.149 21.909 ( 2.321 2.447 -1.827) 3.836 22.033 ( 3.423 -0.754 -0.509) 3.542 22.138 ( -0.736 -2.389 -2.290) 3.390 22.410 ( 4.771 -3.627 -0.226) 5.997 22.462 ( 6.440 -4.044 0.600) 7.628 23.219 ( -3.733 4.067 -1.256) 5.662 23.354 ( 3.048 0.797 -0.340) 3.169 23.523 ( 0.153 1.970 9.383) 9.589 23.693 ( -5.401 -1.270 -3.238) 6.424 24.389 ( -12.353 0.809 3.941) 12.991 24.531 ( -0.567 -0.977 3.011) 3.216 24.629 ( -2.414 0.322 4.852) 5.429 24.684 ( -4.847 -0.646 3.109) 5.794 24.919 ( -4.518 0.039 -3.596) 5.774 25.000 ( 0.166 -0.581 -3.070) 3.129 25.064 ( 2.063 1.449 -1.536) 2.952 25.098 ( 1.715 -0.799 -0.047) 1.893 25.310 ( -4.801 4.326 3.362) 7.285 25.590 ( 0.708 -0.949 2.731) 2.977 25.676 ( 2.283 5.945 -3.256) 7.152 25.786 ( -1.753 0.972 -1.339) 2.410 26.103 ( -3.156 0.918 -0.558) 3.334 26.174 ( -2.147 2.108 -1.557) 3.388 26.210 ( -1.978 0.675 -1.556) 2.605 26.272 ( -2.942 4.239 -3.234) 6.089 26.375 ( -5.744 -1.075 -0.162) 5.846 26.434 ( -0.522 -2.356 -5.627) 6.123 26.547 ( 2.654 -0.791 -3.305) 4.312 26.655 ( 6.373 -2.309 3.314) 7.545 26.854 ( 1.055 -4.838 0.406) 4.968 26.880 ( -0.858 -6.403 -0.244) 6.465 26.980 ( 1.169 -2.229 0.664) 2.603 27.051 ( 2.188 -1.350 -0.897) 2.723 27.562 ( -6.299 -0.005 14.099) 15.442 27.689 ( -4.057 -2.680 7.878) 9.258 28.217 ( 2.418 1.874 -11.602) 11.998 28.349 ( 3.764 -1.281 -9.199) 10.021 28.795 ( -9.776 1.380 5.896) 11.499 28.958 ( -6.020 -2.373 14.193) 15.598 29.491 ( 3.458 2.892 -7.059) 8.376 29.678 ( 4.567 -0.968 -9.921) 10.965 ======================= Grid point 72 (36/78) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.721 -0.869 15.425) 15.545 1.946 ( 0.779 8.672 -0.382) 8.715 2.252 ( -6.675 -7.956 9.039) 13.768 2.527 ( -16.596 1.054 -4.676) 17.274 2.629 ( -8.620 -2.665 -10.469) 13.821 2.771 ( -20.582 10.853 -13.153) 26.728 3.127 ( -5.696 -2.955 -8.303) 10.493 3.365 ( -4.281 10.301 1.283) 11.228 3.600 ( -4.203 -4.592 -4.661) 7.776 3.762 ( -8.298 5.632 -0.417) 10.037 3.929 ( -10.745 -3.731 8.703) 14.322 3.987 ( -5.398 4.181 5.638) 8.855 4.188 ( -7.375 -0.644 -3.133) 8.038 4.223 ( -3.434 -1.306 3.322) 4.953 4.358 ( -22.615 4.056 -0.438) 22.981 4.457 ( -4.155 4.924 -0.745) 6.486 4.612 ( -8.419 1.361 2.447) 8.873 4.703 ( -4.017 7.007 3.644) 8.861 4.904 ( -5.354 8.390 -7.319) 12.355 5.073 ( -4.979 -2.120 -4.054) 6.761 5.177 ( 3.760 -0.114 1.328) 3.989 5.388 ( -8.797 4.043 -6.361) 11.584 5.459 ( -6.706 -1.152 6.292) 9.268 5.518 ( -5.012 -1.143 1.593) 5.382 5.779 ( -2.033 -6.437 -0.507) 6.769 5.970 ( -1.093 -4.636 9.213) 10.372 6.125 ( 3.371 -3.702 4.307) 6.604 6.222 ( 2.695 -4.903 7.015) 8.973 6.368 ( -5.874 2.867 1.033) 6.618 6.430 ( -6.447 6.424 7.999) 12.117 6.593 ( -0.358 -6.304 -4.514) 7.762 6.905 ( 7.001 -2.821 3.417) 8.286 7.184 ( 2.089 4.339 2.107) 5.257 7.229 ( 2.730 8.117 -1.458) 8.687 7.342 ( -7.890 -5.320 3.350) 10.088 7.517 ( 4.155 -1.026 -8.647) 9.648 7.671 ( 3.308 -0.170 -1.976) 3.857 7.850 ( 0.623 -6.051 2.715) 6.662 7.919 ( -8.180 0.715 -8.044) 11.494 8.026 ( -7.086 5.964 -4.055) 10.111 8.103 ( -9.394 -3.655 -5.251) 11.366 8.214 ( 3.175 -1.588 7.312) 8.128 8.314 ( -4.397 6.841 1.397) 8.252 8.613 ( -13.510 4.324 7.698) 16.139 8.874 ( -13.107 -6.335 4.141) 15.136 9.009 ( -3.849 -2.160 7.915) 9.062 9.354 ( -0.476 4.351 -5.268) 6.849 9.412 ( 2.747 -3.337 -1.877) 4.712 9.764 ( -5.269 1.358 -0.647) 5.480 9.850 ( 0.245 -8.911 -10.482) 13.760 9.995 ( 13.005 -5.610 4.242) 14.785 10.009 ( 2.766 4.890 -6.033) 8.244 10.200 ( 1.229 -10.525 -4.216) 11.404 10.417 ( -7.371 5.202 4.554) 10.106 10.568 ( 3.364 1.319 1.104) 3.779 10.582 ( -1.509 -2.451 -2.568) 3.857 10.747 ( -3.103 -2.420 -5.583) 6.830 10.865 ( -0.581 -3.260 13.251) 13.658 11.012 ( -3.140 -4.980 -7.688) 9.683 11.177 ( -1.334 0.599 5.149) 5.353 11.293 ( -1.058 -3.325 -2.645) 4.379 11.449 ( -0.118 -8.213 -3.947) 9.113 11.513 ( 4.163 2.226 1.826) 5.061 11.657 ( 0.401 1.793 -1.065) 2.124 11.877 ( -2.249 1.279 1.935) 3.231 12.000 ( -1.067 4.014 -1.578) 4.443 12.039 ( -5.490 3.997 2.159) 7.126 12.214 ( 4.172 2.918 1.378) 5.274 12.303 ( 1.276 5.475 0.444) 5.639 12.512 ( 2.487 6.913 -5.722) 9.312 12.960 ( -3.544 -2.819 -1.450) 4.755 13.003 ( -7.041 -2.944 4.237) 8.729 13.083 ( -6.424 -4.014 -6.732) 10.134 13.188 ( -10.468 -2.720 -5.403) 12.090 13.347 ( -12.350 -0.645 1.955) 12.520 13.594 ( -0.804 11.665 -1.803) 11.831 13.752 ( -5.355 6.934 6.370) 10.833 13.874 ( 2.879 -3.435 6.233) 7.677 14.065 ( 0.270 10.993 1.090) 11.050 14.210 ( -2.329 -5.527 -3.362) 6.875 14.382 ( 6.418 0.367 6.507) 9.147 14.644 ( -2.078 2.912 -7.499) 8.309 14.802 ( 6.703 -1.324 3.385) 7.625 15.137 ( 4.364 3.183 -1.278) 5.550 15.387 ( 8.530 2.681 -1.795) 9.120 15.494 ( 2.063 -3.333 -7.172) 8.173 15.617 ( 4.383 -3.024 -0.628) 5.362 15.807 ( 3.369 -2.664 2.207) 4.829 15.883 ( 0.689 -3.027 7.918) 8.504 16.233 ( 6.123 -26.184 6.163) 27.587 16.407 ( 15.884 -2.812 -14.551) 21.724 16.578 ( -4.470 3.359 -1.979) 5.931 16.709 ( -0.143 -3.795 -2.906) 4.782 16.780 ( -3.928 0.435 -6.834) 7.894 17.370 ( 20.372 19.193 5.992) 28.623 18.067 ( 32.228 -4.107 9.208) 33.769 19.964 ( 0.658 2.193 -0.089) 2.291 20.004 ( 4.836 1.932 -1.287) 5.364 20.207 ( 1.959 -3.905 3.693) 5.721 20.306 ( 3.833 -5.255 -2.045) 6.818 20.400 ( 0.090 5.354 6.466) 8.396 20.476 ( 1.723 1.736 1.660) 2.957 20.689 ( 2.047 -0.498 0.360) 2.137 20.779 ( -0.247 4.627 -3.206) 5.634 20.830 ( -6.590 2.053 -4.606) 8.298 21.006 ( 0.424 -3.112 6.871) 7.555 21.079 ( -3.767 3.448 5.072) 7.198 21.140 ( 1.750 -1.140 0.080) 2.090 21.317 ( 5.457 1.075 1.907) 5.880 21.362 ( 6.440 -2.785 -1.288) 7.134 21.489 ( 4.348 0.717 1.034) 4.526 21.574 ( 1.224 1.609 0.984) 2.248 21.770 ( 1.675 4.317 -2.912) 5.470 21.832 ( 3.108 1.417 -4.068) 5.312 21.868 ( 0.932 0.503 0.447) 1.150 21.963 ( 2.630 3.153 1.003) 4.227 22.082 ( 3.688 0.195 -0.416) 3.716 22.141 ( 3.741 2.490 0.574) 4.530 22.477 ( 5.529 -6.789 -3.268) 9.346 22.572 ( 7.551 -6.168 -4.762) 10.851 23.139 ( -4.457 1.941 0.459) 4.883 23.355 ( -2.134 -2.454 -5.066) 6.020 23.546 ( -5.496 3.232 -3.468) 7.258 23.563 ( -5.625 2.284 5.918) 8.478 24.142 ( -19.854 3.136 2.474) 20.252 24.489 ( -6.577 -2.759 1.151) 7.224 24.619 ( -4.026 0.464 -0.470) 4.080 24.640 ( -3.399 -0.016 5.444) 6.418 24.790 ( -7.653 0.925 -0.142) 7.710 24.956 ( 0.544 -3.118 -6.764) 7.467 25.058 ( -0.612 1.700 -0.789) 1.971 25.136 ( 0.577 -1.971 1.310) 2.436 25.277 ( -3.862 4.173 4.219) 7.080 25.611 ( -0.909 -0.848 1.018) 1.607 25.676 ( -0.124 2.025 -0.231) 2.042 25.754 ( -0.043 3.360 -0.860) 3.468 26.027 ( -4.874 1.038 -0.405) 5.000 26.104 ( -3.031 1.660 -1.551) 3.788 26.143 ( -2.152 0.051 -3.360) 3.991 26.223 ( -4.021 2.332 0.515) 4.677 26.295 ( -0.879 0.024 -0.067) 0.882 26.386 ( 0.536 -1.490 -3.195) 3.566 26.561 ( 2.309 -1.867 -2.868) 4.128 26.768 ( -0.896 -4.417 3.907) 5.965 26.865 ( 3.852 -5.449 -1.704) 6.887 26.921 ( 2.606 -5.287 2.656) 6.465 26.964 ( -0.122 1.689 -2.093) 2.692 27.116 ( 3.234 -2.467 0.740) 4.134 27.546 ( -10.332 -0.695 11.972) 15.829 27.642 ( -9.441 -2.489 6.683) 11.832 28.118 ( 1.700 2.757 -15.486) 15.822 28.276 ( 2.558 -1.775 -17.523) 17.798 28.681 ( -12.512 2.626 10.976) 16.850 29.020 ( -6.209 -7.359 19.613) 21.849 29.511 ( 5.921 3.770 -4.884) 8.551 29.707 ( 9.313 1.350 -7.832) 12.243 ======================= Grid point 73 (37/78) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -18.033 9.489 13.000) 24.171 1.835 ( -20.224 13.235 -1.280) 24.203 2.109 ( -14.084 5.688 5.384) 16.116 2.302 ( -7.158 7.029 -10.311) 14.386 2.425 ( 1.950 8.678 5.414) 10.413 2.567 ( 1.202 3.077 -0.745) 3.386 2.892 ( -12.448 5.323 -4.774) 14.355 3.206 ( -26.102 5.109 -6.537) 27.388 3.384 ( -24.809 3.987 -2.397) 25.241 3.461 ( -26.392 7.138 7.352) 28.312 3.672 ( -9.392 11.316 -9.463) 17.487 3.733 ( -15.031 -9.329 7.551) 19.235 4.000 ( -6.808 -1.066 5.141) 8.597 4.058 ( -10.126 -2.653 0.316) 10.472 4.308 ( 5.072 -2.628 6.297) 8.502 4.333 ( -5.188 -3.619 -3.442) 7.201 4.502 ( -7.771 -2.750 -3.417) 8.924 4.706 ( -5.145 10.237 -10.201) 15.340 4.806 ( -4.003 -2.069 13.663) 14.387 4.976 ( -3.914 -0.032 -7.247) 8.237 5.044 ( -5.871 5.391 -10.868) 13.478 5.317 ( 5.954 3.844 1.882) 7.333 5.435 ( -8.139 1.217 0.870) 8.275 5.492 ( 0.177 4.601 7.934) 9.173 5.833 ( 5.921 -7.304 1.399) 9.506 6.002 ( -6.642 -1.646 11.823) 13.660 6.218 ( 0.363 -1.843 -3.316) 3.811 6.291 ( -0.164 -4.196 -2.848) 5.074 6.337 ( 4.537 -3.610 0.895) 5.867 6.421 ( -1.131 -7.590 5.504) 9.444 6.562 ( 0.845 4.714 1.102) 4.914 6.923 ( -6.550 -5.537 6.116) 10.534 7.117 ( -15.700 -3.971 2.743) 16.425 7.179 ( -17.487 -1.801 2.488) 17.754 7.292 ( 0.796 2.297 0.645) 2.515 7.496 ( 3.121 1.620 -7.420) 8.211 7.542 ( -6.946 -2.341 -10.076) 12.460 7.713 ( -7.947 7.326 5.702) 12.221 7.806 ( -4.410 -1.122 -4.804) 6.617 7.903 ( 0.617 2.656 -8.331) 8.766 8.008 ( -1.884 -5.021 0.743) 5.414 8.150 ( 3.790 -1.812 -5.776) 7.142 8.285 ( -5.371 6.574 9.204) 12.521 8.572 ( -9.415 -3.319 0.755) 10.011 8.780 ( 3.944 6.115 9.623) 12.064 9.132 ( 1.719 0.979 -2.719) 3.363 9.375 ( 12.636 -1.587 -15.677) 20.198 9.498 ( 0.099 -2.810 11.218) 11.565 9.669 ( -3.272 -5.895 -1.518) 6.911 9.766 ( 0.022 -7.275 -3.006) 7.872 9.975 ( 1.515 9.866 -1.603) 10.110 10.127 ( -3.468 -2.380 -4.411) 6.095 10.223 ( -9.130 -1.631 7.412) 11.872 10.306 ( 7.178 -13.224 3.354) 15.415 10.519 ( -0.408 -3.755 -6.099) 7.174 10.551 ( -2.789 -1.829 -8.426) 9.062 10.772 ( 2.408 1.286 3.042) 4.087 10.863 ( -5.028 -4.498 -1.635) 6.941 11.013 ( 4.808 1.222 4.930) 6.994 11.205 ( 1.870 0.645 -4.013) 4.474 11.270 ( -1.660 -1.449 2.890) 3.634 11.389 ( -2.624 -3.005 1.660) 4.321 11.644 ( 5.913 4.275 7.329) 10.342 11.752 ( 5.968 -0.870 4.583) 7.575 11.775 ( -6.781 7.290 2.066) 10.169 11.948 ( 0.187 4.834 3.978) 6.263 12.104 ( 4.726 1.440 -0.462) 4.962 12.202 ( -4.079 -2.524 -1.673) 5.081 12.365 ( 1.208 2.967 3.427) 4.691 12.471 ( 0.841 2.372 -11.221) 11.500 12.802 ( -9.831 0.416 -4.435) 10.793 12.939 ( -4.584 -9.510 -5.092) 11.721 12.979 ( -8.656 -3.345 2.438) 9.595 13.037 ( 3.272 -9.022 2.981) 10.049 13.239 ( -4.438 9.499 4.136) 11.270 13.551 ( -2.897 11.731 3.584) 12.604 13.703 ( -4.598 0.200 -3.128) 5.565 13.904 ( -2.193 2.985 -0.989) 3.834 14.090 ( -2.212 -8.215 -4.119) 9.453 14.134 ( 0.541 12.698 -1.102) 12.757 14.473 ( 0.909 0.339 0.102) 0.976 14.710 ( 11.791 2.850 0.291) 12.134 14.975 ( 9.762 -4.682 0.721) 10.851 15.172 ( 2.904 4.820 4.103) 6.964 15.443 ( 1.553 3.523 -5.949) 7.086 15.528 ( 5.550 -3.249 -1.886) 6.701 15.658 ( 2.663 0.582 1.793) 3.263 15.829 ( -2.456 -2.269 5.946) 6.821 15.909 ( -2.869 -1.481 -2.123) 3.864 16.377 ( 3.805 -24.871 3.273) 25.372 16.439 ( -8.950 2.470 -2.324) 9.571 16.602 ( 5.648 -1.862 -7.567) 9.624 16.646 ( 9.456 -5.942 3.259) 11.634 16.809 ( 7.673 -4.491 -1.786) 9.069 17.750 ( 18.836 22.611 1.217) 29.454 18.628 ( 25.511 -5.562 2.494) 26.229 19.965 ( 0.283 2.591 -0.441) 2.644 20.091 ( 6.815 0.633 -1.917) 7.108 20.222 ( -4.525 -2.217 2.424) 5.592 20.281 ( -3.781 -4.328 -0.921) 5.821 20.456 ( 2.813 3.969 3.510) 5.999 20.538 ( 2.459 0.761 0.655) 2.656 20.678 ( -2.216 3.345 -4.255) 5.848 20.731 ( 1.935 2.594 0.676) 3.307 20.765 ( 0.739 1.272 -2.505) 2.905 21.044 ( -0.686 2.860 3.716) 4.740 21.107 ( 1.773 3.061 4.371) 5.623 21.222 ( 4.697 -5.455 3.317) 7.926 21.411 ( 2.331 -4.469 -0.921) 5.124 21.495 ( 9.100 1.927 0.411) 9.311 21.588 ( 2.621 2.375 -0.827) 3.632 21.641 ( 7.425 -0.791 2.050) 7.744 21.782 ( 1.950 3.077 -1.655) 4.001 21.832 ( 0.202 3.730 -0.935) 3.850 21.905 ( 3.033 6.547 1.671) 7.406 22.006 ( 3.319 6.597 -2.813) 7.902 22.162 ( 6.781 -1.069 0.628) 6.893 22.286 ( 9.764 2.956 1.208) 10.273 22.558 ( 7.701 -6.715 -2.061) 10.423 22.608 ( 4.908 -2.977 -6.867) 8.950 23.070 ( -6.589 -0.715 -1.105) 6.719 23.185 ( -4.981 -5.509 -7.875) 10.825 23.416 ( -10.305 1.851 0.273) 10.473 23.500 ( -4.824 4.863 1.778) 7.077 23.791 ( -23.060 4.373 1.265) 23.505 24.356 ( -9.404 -3.606 0.248) 10.075 24.548 ( -2.193 0.917 -2.783) 3.660 24.597 ( -7.378 -2.462 6.085) 9.875 24.684 ( -7.363 -0.255 4.886) 8.840 24.870 ( -1.026 -7.109 -12.862) 14.731 25.044 ( -1.620 1.774 2.337) 3.351 25.125 ( -2.362 -0.842 -0.348) 2.532 25.240 ( -4.859 3.500 3.256) 6.816 25.589 ( -1.425 0.294 -0.484) 1.534 25.668 ( -3.326 -5.276 3.494) 7.149 25.765 ( 2.462 4.840 -1.617) 5.666 25.945 ( -5.261 1.729 0.877) 5.607 26.057 ( -2.874 0.629 0.261) 2.954 26.078 ( -0.239 0.457 -2.505) 2.558 26.172 ( -2.002 0.883 0.973) 2.395 26.330 ( 2.378 1.426 2.844) 3.972 26.408 ( 5.031 -2.279 -1.316) 5.678 26.554 ( -0.793 -3.817 -2.740) 4.765 26.748 ( -0.789 1.386 2.243) 2.752 26.881 ( -3.602 -3.605 1.135) 5.221 26.955 ( 0.190 -2.649 -0.188) 2.662 26.996 ( 4.497 -2.644 -2.641) 5.847 27.136 ( -1.169 -2.032 -1.129) 2.602 27.452 ( -11.722 -1.273 6.914) 13.668 27.537 ( -9.275 -4.814 7.726) 12.996 27.989 ( 2.221 3.791 -19.232) 19.728 28.101 ( 2.217 -0.546 -24.912) 25.017 28.604 ( -11.887 3.911 16.565) 20.760 29.113 ( -8.534 -15.383 25.251) 30.775 29.588 ( 7.436 4.643 -3.559) 9.462 29.848 ( 13.525 3.656 -3.075) 14.343 ======================= Grid point 74 (38/78) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -21.789 29.658 21.474) 42.609 1.390 ( -27.304 30.355 9.982) 42.030 2.012 ( -8.891 2.408 -4.057) 10.065 2.085 ( -18.579 13.398 20.395) 30.670 2.255 ( -29.619 13.132 8.859) 33.589 2.601 ( 2.503 15.742 9.960) 18.796 2.630 ( -16.704 20.744 9.695) 28.343 2.842 ( 6.782 -1.471 0.904) 6.999 3.107 ( -8.502 -5.329 -10.759) 14.712 3.331 ( -1.004 8.523 -1.792) 8.767 3.490 ( -6.488 1.383 0.329) 6.642 3.646 ( -3.085 -6.122 2.518) 7.303 3.849 ( -9.793 -2.384 -4.208) 10.922 3.899 ( -8.884 1.254 -0.508) 8.986 4.186 ( -9.849 -5.088 -7.292) 13.269 4.301 ( -2.266 -8.727 -1.407) 9.125 4.432 ( 1.560 -0.524 1.907) 2.519 4.633 ( 0.722 -2.510 1.354) 2.941 4.725 ( -5.088 -6.839 -7.867) 11.599 4.910 ( -1.182 11.138 -4.200) 11.963 4.956 ( -4.458 3.903 11.619) 13.043 5.323 ( -1.540 4.634 -2.457) 5.466 5.411 ( 1.481 7.541 2.855) 8.199 5.611 ( 3.081 1.772 7.093) 7.934 5.942 ( 4.695 -4.369 0.706) 6.452 6.016 ( -6.814 -3.112 11.986) 14.135 6.103 ( -3.691 -3.155 -7.861) 9.240 6.190 ( 1.479 -7.112 -7.419) 10.383 6.422 ( 3.026 -9.647 -2.278) 10.364 6.499 ( 0.854 -6.718 -0.342) 6.781 6.570 ( -2.201 4.474 -0.484) 5.009 6.744 ( -16.045 -1.768 6.111) 17.260 6.798 ( -18.925 0.759 -5.331) 19.676 7.004 ( -10.749 -10.982 14.307) 20.996 7.198 ( -7.976 4.184 -3.016) 9.498 7.375 ( 0.601 -0.626 -2.776) 2.909 7.546 ( 5.796 0.588 -0.273) 5.833 7.730 ( 6.670 5.969 -10.594) 13.869 7.732 ( -1.650 9.705 5.695) 11.373 7.933 ( 2.889 1.060 1.495) 3.422 8.013 ( 0.651 -4.315 5.736) 7.208 8.151 ( 6.587 -7.260 -12.646) 16.000 8.360 ( -0.487 3.211 5.120) 6.064 8.482 ( -0.561 -6.536 2.296) 6.950 8.952 ( 7.412 5.859 4.467) 10.451 9.046 ( -0.235 5.285 -9.846) 11.177 9.396 ( 2.009 -2.259 -5.616) 6.378 9.532 ( 1.685 1.572 -4.053) 4.662 9.565 ( -6.761 -4.951 -7.920) 11.531 9.714 ( -6.717 1.189 2.030) 7.117 9.975 ( 2.465 -0.412 -10.911) 11.194 10.069 ( 1.816 2.250 1.190) 3.126 10.258 ( 2.000 -1.266 4.832) 5.381 10.364 ( -4.134 -10.877 0.810) 11.664 10.397 ( -5.224 -6.823 -2.993) 9.099 10.514 ( 5.192 -3.837 -4.142) 7.671 10.736 ( -2.770 -6.496 0.633) 7.090 10.923 ( 4.841 -2.343 6.348) 8.320 11.037 ( -2.159 -1.421 -4.120) 4.863 11.211 ( 2.008 0.417 -6.497) 6.813 11.290 ( 1.133 -3.937 2.000) 4.559 11.384 ( 1.217 2.247 3.135) 4.045 11.654 ( -5.765 4.097 2.860) 7.629 11.887 ( 2.899 -0.456 7.960) 8.483 11.956 ( 1.931 1.376 4.988) 5.522 11.989 ( 0.189 1.582 8.455) 8.604 12.083 ( 0.909 4.193 7.433) 8.582 12.220 ( 3.089 -3.135 1.087) 4.533 12.304 ( -0.013 7.811 -5.109) 9.333 12.460 ( 2.617 0.857 -0.452) 2.791 12.630 ( -11.192 -2.720 -7.879) 13.955 12.720 ( -8.159 -13.554 -2.565) 16.026 12.867 ( -4.764 0.350 2.844) 5.560 13.194 ( 5.202 -7.671 5.055) 10.557 13.246 ( 0.625 13.395 -0.703) 13.428 13.518 ( -5.966 2.224 -2.514) 6.845 13.571 ( -4.712 5.134 6.704) 9.670 13.851 ( -0.408 7.983 -2.916) 8.509 14.010 ( -1.465 -6.590 -3.227) 7.483 14.136 ( 1.176 8.791 -3.093) 9.393 14.462 ( 0.768 1.649 -7.135) 7.363 14.872 ( 9.790 4.142 -8.851) 13.832 15.076 ( 4.191 -0.498 1.434) 4.458 15.393 ( 0.757 -1.614 8.412) 8.599 15.413 ( 11.514 3.039 -0.450) 11.917 15.604 ( 2.851 -4.538 2.315) 5.838 15.717 ( -2.277 1.603 4.661) 5.430 15.817 ( -3.676 -1.313 -1.882) 4.334 15.854 ( -1.295 -3.270 5.651) 6.656 16.228 ( -7.343 4.504 -4.136) 9.556 16.410 ( -3.295 -4.751 -3.058) 6.541 16.580 ( 1.924 -28.437 -1.226) 28.528 16.933 ( 6.314 -0.796 3.544) 7.284 16.953 ( 10.777 -1.834 12.504) 16.609 17.983 ( 10.985 24.161 -7.252) 27.514 18.934 ( 11.842 -6.298 -5.534) 14.509 19.970 ( 0.222 3.056 0.435) 3.094 20.120 ( -6.529 0.446 3.935) 7.637 20.174 ( 3.856 -2.283 -0.336) 4.494 20.273 ( 0.655 -5.780 0.816) 5.874 20.519 ( 1.712 4.225 -2.230) 5.075 20.560 ( -0.565 4.181 3.371) 5.401 20.639 ( 0.626 2.356 -1.279) 2.753 20.749 ( 1.298 0.774 -2.349) 2.793 20.806 ( 3.851 0.131 0.078) 3.854 21.043 ( -3.343 0.710 -0.527) 3.458 21.215 ( 9.421 8.876 -4.627) 13.746 21.302 ( 1.092 -7.580 1.291) 7.767 21.418 ( 4.028 -2.084 -4.945) 6.710 21.601 ( 1.730 0.257 -1.106) 2.070 21.630 ( 5.033 -1.539 -1.585) 5.497 21.732 ( -0.126 1.914 1.877) 2.684 21.818 ( 3.025 3.667 -4.089) 6.270 21.839 ( 4.648 4.556 -2.234) 6.881 21.944 ( 1.743 4.575 -5.956) 7.710 22.085 ( 12.927 21.117 -7.916) 25.994 22.297 ( 7.810 -2.493 -1.433) 8.322 22.418 ( 6.761 1.669 -3.909) 7.986 22.648 ( 6.992 1.196 3.419) 7.874 22.770 ( 10.301 -1.271 7.107) 12.579 22.899 ( -3.338 -0.059 -2.701) 4.295 23.091 ( -6.652 -4.525 -0.858) 8.091 23.232 ( -6.761 -1.251 -1.367) 7.010 23.393 ( -22.265 -3.028 5.355) 23.099 23.455 ( -6.107 6.866 -0.172) 9.190 24.169 ( -14.069 -9.378 0.793) 16.926 24.494 ( -13.914 -7.863 7.884) 17.821 24.511 ( -0.691 1.191 -0.991) 1.697 24.610 ( -5.853 -2.004 1.182) 6.299 24.739 ( 0.557 -4.916 1.528) 5.178 25.048 ( -1.091 1.793 2.271) 3.092 25.061 ( -3.027 0.582 -1.809) 3.574 25.189 ( -3.872 3.275 2.262) 5.552 25.552 ( -0.355 1.526 -4.414) 4.684 25.609 ( -10.260 -13.142 8.559) 18.741 25.799 ( 2.592 3.782 -0.976) 4.688 25.878 ( -2.918 5.074 1.248) 5.985 26.020 ( -1.155 1.483 0.125) 1.884 26.096 ( 2.056 1.404 1.207) 2.767 26.164 ( -2.104 -1.091 4.092) 4.729 26.421 ( 4.476 0.376 3.019) 5.412 26.487 ( -1.577 -0.696 -3.152) 3.592 26.535 ( 10.825 -2.420 -2.206) 11.309 26.785 ( -6.346 -4.144 -0.740) 7.616 26.818 ( 3.299 1.141 3.769) 5.137 26.938 ( -2.224 -1.922 -0.775) 3.039 26.987 ( -2.659 -1.349 -3.787) 4.820 27.056 ( -3.827 0.898 -3.393) 5.193 27.311 ( -9.448 -0.957 3.460) 10.107 27.462 ( -5.496 -9.078 -3.235) 11.094 27.754 ( -0.731 10.433 -23.190) 25.440 27.994 ( 7.091 1.767 -14.319) 16.076 28.599 ( -9.312 4.786 19.259) 21.921 29.211 ( -11.155 -23.549 29.158) 39.105 29.671 ( 5.350 4.761 -2.881) 7.720 30.074 ( 13.350 -1.309 -2.124) 13.581 ======================= Grid point 75 (39/78) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -9.075 25.214 -3.690) 27.050 1.854 ( 1.981 19.707 7.787) 21.282 2.086 ( -7.254 10.057 5.804) 13.691 2.236 ( 7.187 2.909 2.311) 8.090 2.469 ( -0.590 -12.098 8.516) 14.807 2.525 ( -1.322 -16.010 -5.263) 16.905 2.888 ( 8.947 5.287 18.538) 21.253 3.034 ( -3.875 5.968 3.839) 8.085 3.110 ( -7.242 15.219 11.553) 20.434 3.302 ( -2.372 -6.469 21.452) 22.531 3.557 ( 3.380 10.931 -4.551) 12.314 3.649 ( 3.617 -3.660 -8.227) 9.703 3.725 ( -6.864 4.316 -2.862) 8.599 3.795 ( -5.677 -2.345 -3.033) 6.851 3.962 ( 5.194 11.454 0.622) 12.592 4.201 ( 4.814 -10.277 1.472) 11.444 4.372 ( 1.058 -3.824 17.816) 18.253 4.466 ( 0.274 -4.749 10.851) 11.848 4.772 ( 2.176 3.662 0.730) 4.322 4.840 ( -0.119 -2.057 4.794) 5.218 5.234 ( -0.105 10.051 -4.438) 10.987 5.356 ( 3.099 -1.946 -6.140) 7.148 5.586 ( -7.009 4.919 -9.123) 12.512 5.665 ( -1.838 7.178 5.756) 9.383 5.751 ( -7.773 -8.062 -9.697) 14.814 5.910 ( 2.662 -11.493 -1.160) 11.854 6.071 ( 6.423 0.512 1.646) 6.650 6.133 ( 2.059 6.001 4.222) 7.621 6.164 ( 3.018 -7.662 0.258) 8.239 6.320 ( 0.454 -10.651 8.922) 13.902 6.527 ( -7.784 1.114 -4.182) 8.906 6.551 ( -7.705 -1.005 -2.251) 8.089 6.741 ( 2.876 3.354 5.672) 7.190 6.810 ( 0.119 -3.801 5.760) 6.902 7.371 ( 2.799 10.684 1.765) 11.185 7.426 ( 0.424 8.657 -1.551) 8.805 7.514 ( -0.951 -8.172 4.004) 9.150 7.754 ( 4.134 -15.269 -0.594) 15.830 7.883 ( 3.113 4.618 -11.043) 12.367 7.934 ( -0.305 0.691 -2.298) 2.418 8.029 ( 5.370 7.443 0.182) 9.180 8.194 ( 5.711 -1.127 2.741) 6.435 8.383 ( -1.589 -0.609 2.937) 3.395 8.392 ( -0.700 -3.340 -1.166) 3.606 8.900 ( -8.595 -1.701 -7.478) 11.519 8.971 ( -7.249 -5.860 -10.183) 13.806 9.348 ( 0.166 2.330 -7.065) 7.441 9.396 ( 1.877 -1.687 -8.723) 9.081 9.672 ( 4.759 9.589 -2.548) 11.004 9.798 ( 5.491 3.352 -4.724) 7.981 9.888 ( -2.098 4.936 -6.700) 8.583 9.966 ( -6.996 -9.508 -5.514) 13.029 10.074 ( -2.586 2.166 -8.738) 9.366 10.239 ( 1.544 -9.939 -7.905) 12.793 10.380 ( 2.810 2.005 -0.555) 3.496 10.458 ( 5.092 -5.419 -0.551) 7.456 10.693 ( 1.866 3.278 2.740) 4.662 10.775 ( -4.040 -2.635 3.598) 6.018 11.090 ( -2.909 -2.037 -0.197) 3.557 11.118 ( -0.154 -5.006 -1.928) 5.367 11.215 ( 4.459 4.694 7.947) 10.250 11.363 ( 3.661 -9.732 8.562) 13.469 11.832 ( -3.644 13.122 -0.483) 13.627 11.851 ( -5.316 5.528 -5.648) 9.525 11.917 ( -5.419 -3.089 -8.203) 10.305 12.057 ( -7.999 -4.772 12.208) 15.356 12.145 ( -2.076 -0.275 8.662) 8.912 12.178 ( 0.334 -3.926 4.126) 5.705 12.333 ( 1.224 1.528 -2.024) 2.816 12.418 ( 4.846 -5.662 -10.224) 12.651 12.589 ( 5.573 1.784 3.878) 7.020 12.638 ( 4.037 -4.207 9.786) 11.391 13.083 ( 4.902 8.580 15.365) 18.268 13.216 ( 1.781 -4.601 13.787) 14.643 13.381 ( -3.021 7.649 -9.485) 12.554 13.503 ( -3.590 -2.472 -5.828) 7.278 13.708 ( 1.075 6.209 1.627) 6.508 13.798 ( 2.874 -4.090 -0.011) 4.999 14.013 ( -0.637 9.987 -2.259) 10.259 14.259 ( -3.186 -9.416 -7.002) 12.159 14.591 ( 2.827 29.529 -2.329) 29.755 14.990 ( 4.108 2.608 -9.979) 11.102 15.200 ( 4.745 -0.788 2.792) 5.562 15.341 ( -6.704 -2.096 3.731) 7.953 15.384 ( 1.104 -12.997 0.456) 13.052 15.507 ( 2.235 -15.521 -5.153) 16.506 15.699 ( -1.332 4.338 0.641) 4.583 15.744 ( -1.257 -1.676 1.015) 2.328 15.788 ( -6.073 3.984 2.845) 7.800 15.996 ( -6.013 -17.240 -1.623) 18.330 16.335 ( 3.574 3.670 0.246) 5.129 16.380 ( 4.618 -0.724 -0.558) 4.707 17.125 ( 1.407 4.355 15.834) 16.482 17.205 ( 2.063 -3.348 22.133) 22.480 18.398 ( -1.535 18.915 -15.290) 24.370 18.718 ( -2.299 -12.785 -15.175) 19.976 20.072 ( 1.570 4.033 3.598) 5.628 20.115 ( -1.491 1.555 4.606) 5.085 20.162 ( -0.548 -3.165 2.650) 4.164 20.177 ( 2.837 -4.884 3.503) 6.646 20.593 ( -0.646 3.337 -4.157) 5.370 20.633 ( -2.846 0.030 -3.512) 4.521 20.668 ( 0.035 5.804 -2.662) 6.386 20.756 ( 2.039 -2.172 -3.481) 4.582 20.863 ( -0.604 1.659 2.105) 2.748 20.927 ( -4.383 -3.396 -1.369) 5.711 21.165 ( -0.496 -0.439 -2.614) 2.697 21.189 ( -1.799 -1.901 -2.970) 3.959 21.528 ( 0.759 2.103 -2.958) 3.708 21.580 ( -0.321 -2.788 -2.991) 4.102 21.638 ( 1.566 2.318 -2.599) 3.819 21.693 ( 0.043 -2.317 -3.092) 3.864 21.840 ( 0.140 2.666 1.957) 3.310 21.909 ( -0.032 -3.357 0.862) 3.466 22.104 ( 1.515 11.916 -11.166) 16.400 22.267 ( 2.791 -3.826 -11.499) 12.436 22.442 ( 0.120 6.063 -4.307) 7.439 22.470 ( 0.559 2.695 -6.782) 7.319 22.698 ( -9.140 -0.139 -1.955) 9.347 22.793 ( -6.745 -6.812 -0.894) 9.628 23.077 ( 0.658 4.042 0.953) 4.204 23.118 ( 0.968 0.146 0.550) 1.123 23.148 ( 14.351 -0.395 1.534) 14.438 23.206 ( 14.019 -3.314 -0.549) 14.415 23.511 ( -4.469 8.574 16.548) 19.166 23.733 ( -5.958 -13.265 19.934) 24.674 24.423 ( -2.747 4.014 1.974) 5.249 24.493 ( -1.832 -2.605 -0.351) 3.204 24.632 ( 3.595 3.457 6.887) 8.504 24.737 ( 5.557 -7.027 8.684) 12.477 25.040 ( -0.774 1.591 -0.363) 1.806 25.068 ( -0.345 -0.848 0.674) 1.137 25.233 ( -3.218 4.661 1.784) 5.938 25.342 ( -5.633 -6.195 3.784) 9.189 25.580 ( 0.735 5.994 -5.056) 7.876 25.733 ( 0.638 -8.229 -2.987) 8.778 26.035 ( -0.451 8.120 2.070) 8.392 26.131 ( -1.994 -1.026 2.778) 3.571 26.177 ( -0.144 3.100 2.835) 4.203 26.213 ( 0.756 8.966 -1.297) 9.090 26.318 ( 0.395 -3.169 1.593) 3.569 26.511 ( -1.455 -8.919 -2.245) 9.312 26.588 ( 5.993 1.413 -1.161) 6.266 26.660 ( 2.611 -2.947 -2.531) 4.681 26.831 ( -3.465 1.413 0.418) 3.765 26.853 ( -2.386 0.570 -1.646) 2.954 26.936 ( 1.617 2.842 -2.316) 4.007 27.046 ( 3.486 -4.732 -4.834) 7.610 27.193 ( -4.043 -1.130 0.626) 4.245 27.199 ( -4.085 -3.901 1.195) 5.773 27.865 ( 10.025 7.171 -16.255) 20.400 27.973 ( 9.516 -3.804 -15.090) 18.240 28.778 ( -9.057 7.666 22.704) 25.617 28.958 ( -10.795 -10.759 26.319) 30.414 29.830 ( 1.890 8.454 -5.571) 10.300 30.007 ( 2.078 -8.336 -6.601) 10.835 ======================= Grid point 76 (40/78) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -9.816 14.529 -1.680) 17.614 1.852 ( -8.464 -9.567 -7.046) 14.588 2.180 ( 8.866 14.260 7.790) 18.511 2.443 ( 9.813 0.758 5.924) 11.488 2.517 ( 18.553 5.104 1.915) 19.337 2.717 ( -0.474 -2.048 8.262) 8.525 2.954 ( -1.962 -0.083 -3.560) 4.066 3.057 ( 11.041 -4.029 7.115) 13.739 3.384 ( 14.726 6.829 14.446) 21.730 3.508 ( 4.950 -0.989 12.893) 13.846 3.585 ( 6.119 5.579 -5.139) 9.745 3.668 ( 6.825 -4.979 0.792) 8.485 3.767 ( 4.694 0.310 -0.957) 4.800 3.831 ( 8.811 -0.229 2.485) 9.158 4.107 ( 9.693 15.563 4.187) 18.807 4.248 ( 4.519 -1.672 -1.045) 4.930 4.622 ( 1.627 0.583 17.928) 18.011 4.671 ( 4.077 -2.083 17.043) 17.647 4.867 ( 9.608 5.588 1.117) 11.171 4.960 ( 8.908 -4.439 5.052) 11.162 5.162 ( -3.411 8.279 -4.686) 10.106 5.331 ( -1.356 -6.485 -11.880) 13.602 5.354 ( -1.546 4.698 -5.202) 7.178 5.469 ( -6.532 -8.044 -13.440) 16.971 5.742 ( 0.777 7.827 6.719) 10.345 5.928 ( -0.854 -7.394 -3.129) 8.074 6.078 ( -2.029 3.440 -3.357) 5.217 6.163 ( -4.201 -3.509 -3.458) 6.475 6.343 ( 9.146 6.975 4.194) 12.243 6.426 ( -0.063 1.351 5.710) 5.868 6.495 ( 2.646 -5.650 10.486) 12.202 6.542 ( 11.786 -9.327 7.621) 16.852 6.948 ( 15.423 3.884 5.403) 16.797 6.989 ( 13.960 1.484 5.023) 14.910 7.379 ( -2.747 10.705 -0.682) 11.073 7.420 ( 0.368 -0.069 -0.782) 0.866 7.556 ( 3.778 -2.761 -2.277) 5.204 7.698 ( -2.768 4.442 -22.903) 23.493 7.796 ( 1.553 -2.329 -4.699) 5.469 7.856 ( -3.423 -8.744 -9.123) 13.092 8.084 ( 1.227 6.841 -0.070) 6.950 8.339 ( -2.734 -10.029 0.218) 10.397 8.396 ( 0.795 1.864 13.854) 14.002 8.450 ( -3.020 -3.438 12.846) 13.636 8.602 ( -8.344 1.032 -11.390) 14.157 8.705 ( -7.259 -7.555 -12.204) 16.084 9.289 ( 2.058 -0.139 -9.177) 9.406 9.319 ( 3.842 -1.788 -12.857) 13.537 9.705 ( 0.469 1.703 1.547) 2.348 9.762 ( -2.243 4.640 -1.614) 5.400 9.844 ( 5.055 0.139 -4.868) 7.019 9.941 ( 4.862 1.951 -3.726) 6.428 10.049 ( 6.020 -1.900 -3.362) 7.153 10.110 ( 3.086 -7.798 -8.830) 12.178 10.468 ( 1.798 -3.104 -6.434) 7.366 10.533 ( 2.038 -6.724 -2.311) 7.396 10.712 ( -0.721 4.463 3.106) 5.485 10.782 ( 0.155 -0.680 1.966) 2.086 11.075 ( 3.540 3.753 6.566) 8.350 11.191 ( 6.759 -5.287 5.007) 9.936 11.364 ( -4.319 0.009 2.707) 5.097 11.378 ( -6.587 0.176 4.477) 7.967 11.693 ( -5.486 9.924 -2.087) 11.529 11.755 ( -4.054 0.355 -1.286) 4.268 11.781 ( 0.801 0.214 -1.267) 1.514 11.996 ( -6.570 -10.733 -3.243) 12.995 12.201 ( 1.135 3.741 8.333) 9.204 12.293 ( 3.266 -4.525 3.675) 6.682 12.377 ( 2.912 3.294 6.940) 8.216 12.495 ( 8.345 -7.618 0.292) 11.304 12.715 ( 5.002 1.189 2.204) 5.594 12.768 ( 3.058 -4.268 2.619) 5.867 13.151 ( -9.631 11.159 1.312) 14.799 13.291 ( -3.934 -0.796 12.098) 12.746 13.374 ( 1.829 3.251 3.726) 5.272 13.408 ( 5.295 -1.616 -8.113) 9.822 13.732 ( 1.298 7.066 -2.360) 7.562 13.860 ( 3.503 -2.895 -1.875) 4.916 13.979 ( -0.403 5.202 -2.921) 5.980 14.149 ( -0.715 -6.700 -6.694) 9.498 14.619 ( 1.792 29.656 -0.458) 29.714 14.862 ( -4.564 12.994 -12.152) 18.367 15.258 ( -7.896 -8.432 7.313) 13.672 15.315 ( 2.094 -9.577 4.472) 10.775 15.402 ( 2.722 -4.340 -2.647) 5.767 15.511 ( 1.637 -15.882 -2.270) 16.127 15.671 ( -1.444 2.681 -0.299) 3.060 15.704 ( -3.567 -1.628 2.341) 4.567 15.756 ( -2.024 -2.630 2.578) 4.202 15.845 ( -8.251 -13.813 -1.209) 16.135 16.414 ( 5.297 3.124 -1.105) 6.248 16.459 ( 4.753 -1.056 -1.888) 5.222 17.255 ( -7.315 7.801 21.152) 23.702 17.400 ( -8.455 -6.309 28.800) 30.671 18.101 ( -12.259 17.254 -20.637) 29.561 18.387 ( -14.431 -11.201 -22.844) 29.250 20.116 ( -1.599 2.314 4.047) 4.929 20.154 ( 0.006 -0.810 1.836) 2.007 20.224 ( 5.409 2.167 3.321) 6.707 20.279 ( 2.559 -2.685 5.362) 6.520 20.462 ( -5.850 3.799 -5.033) 8.601 20.541 ( -2.866 -3.530 -4.472) 6.377 20.618 ( -2.470 5.257 -3.111) 6.590 20.727 ( -1.899 -4.879 -3.511) 6.303 20.891 ( 1.335 1.551 3.760) 4.281 20.913 ( 1.826 -0.005 3.466) 3.918 21.091 ( -2.589 2.949 -4.867) 6.252 21.145 ( -0.483 -2.593 -3.321) 4.241 21.481 ( -2.475 1.454 -2.711) 3.949 21.504 ( -3.899 -0.381 -2.761) 4.793 21.626 ( -1.206 3.048 -2.159) 3.925 21.685 ( -0.493 -1.851 0.012) 1.916 21.844 ( -1.753 1.737 1.229) 2.757 21.881 ( -2.582 -2.001 1.011) 3.419 22.015 ( -1.093 9.598 -6.587) 11.692 22.162 ( -2.183 -2.788 -8.538) 9.243 22.317 ( -8.843 4.434 -2.194) 10.133 22.434 ( 0.658 4.907 -4.187) 6.484 22.516 ( -13.219 -5.781 5.005) 15.271 22.657 ( -7.487 -8.697 0.001) 11.476 23.143 ( 5.664 1.883 -1.494) 6.153 23.171 ( 5.314 -0.972 -2.171) 5.822 23.319 ( 8.689 2.789 1.263) 9.213 23.385 ( 8.067 -3.130 1.581) 8.797 23.769 ( 12.151 8.622 9.687) 17.772 23.941 ( 10.543 -7.755 4.336) 13.787 24.440 ( 2.006 1.844 2.306) 3.570 24.485 ( 0.950 -2.363 0.147) 2.551 24.790 ( 5.254 5.117 7.227) 10.297 24.872 ( 2.190 -1.254 -0.172) 2.530 25.074 ( 2.223 -0.516 0.641) 2.370 25.121 ( 6.879 -4.456 2.483) 8.564 25.217 ( -0.256 0.007 5.009) 5.016 25.289 ( -4.912 -5.248 4.012) 8.232 25.555 ( 2.684 6.583 -5.397) 8.925 25.721 ( 1.833 -8.910 -3.159) 9.630 26.053 ( 0.127 7.209 1.976) 7.476 26.113 ( -1.442 2.440 0.968) 2.995 26.199 ( -0.021 0.875 2.558) 2.703 26.213 ( -0.226 2.454 -0.408) 2.498 26.351 ( 0.902 2.810 3.642) 4.688 26.504 ( 0.898 -6.872 2.231) 7.281 26.623 ( 1.371 1.453 -6.520) 6.819 26.647 ( -0.655 0.998 -0.972) 1.539 26.775 ( -0.913 -1.653 -3.846) 4.285 26.799 ( -2.865 -2.143 0.597) 3.627 26.988 ( 5.035 3.426 -1.755) 6.338 27.108 ( 9.021 -6.254 -2.638) 11.289 27.154 ( -0.399 -0.139 -0.686) 0.805 27.176 ( -1.654 -4.227 1.283) 4.717 27.920 ( 12.837 5.640 -13.516) 19.475 28.014 ( 11.263 -3.854 -13.370) 17.902 28.847 ( -8.062 7.385 21.419) 24.048 29.019 ( -10.161 -9.678 22.366) 26.404 29.771 ( -1.722 8.505 -5.942) 10.517 29.937 ( -2.356 -7.116 -5.630) 9.375 ======================= Grid point 77 (41/78) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -10.140 6.661 0.349) 12.137 1.668 ( -4.531 -17.208 -0.452) 17.800 2.381 ( 5.395 12.900 6.132) 15.268 2.593 ( 0.583 -2.602 4.260) 5.025 2.741 ( 4.361 2.882 1.321) 5.392 2.847 ( 10.058 -11.514 -7.744) 17.138 3.064 ( 17.980 17.335 9.847) 26.846 3.378 ( 12.689 -9.064 5.056) 16.393 3.639 ( 8.567 7.301 1.910) 11.417 3.689 ( 10.353 2.077 -8.202) 13.371 3.701 ( 9.204 3.807 0.519) 9.974 3.825 ( 4.195 4.412 1.493) 6.269 3.886 ( 6.900 -3.976 6.351) 10.186 3.976 ( 12.505 -6.215 -0.111) 13.965 4.342 ( 7.133 5.799 4.827) 10.383 4.370 ( 11.587 4.556 0.579) 12.464 4.699 ( -3.477 4.654 4.444) 7.315 4.849 ( 1.186 0.076 8.239) 8.324 4.892 ( -3.068 0.465 -12.749) 13.121 5.096 ( 2.806 -7.591 -10.112) 12.951 5.165 ( 2.084 3.924 4.151) 6.081 5.236 ( 2.217 -1.169 3.504) 4.308 5.447 ( 11.851 0.370 8.304) 14.476 5.471 ( 10.997 -1.594 6.232) 12.741 5.777 ( -7.259 1.851 4.063) 8.522 5.794 ( -6.097 3.146 -7.228) 9.966 5.972 ( -1.590 0.333 -6.109) 6.321 6.039 ( -1.285 -2.904 -6.121) 6.896 6.447 ( -4.011 11.015 19.075) 22.389 6.598 ( 2.153 3.170 9.245) 10.008 6.732 ( 7.546 -1.845 15.554) 17.386 6.872 ( 16.198 -8.289 6.236) 19.234 7.213 ( -1.183 7.949 0.658) 8.063 7.243 ( -2.592 10.098 -13.493) 17.051 7.301 ( -6.016 -0.090 -19.395) 20.307 7.371 ( 17.132 1.320 3.270) 17.491 7.498 ( 10.697 -5.619 -22.449) 25.495 7.556 ( 12.338 -8.009 -3.834) 15.201 7.741 ( -6.058 4.403 -1.927) 7.733 7.805 ( 5.415 -4.832 0.322) 7.265 8.016 ( -5.154 2.679 -10.118) 11.667 8.203 ( -8.401 -7.691 -8.224) 14.049 8.276 ( 0.404 -1.095 -3.748) 3.926 8.367 ( 2.753 -9.744 0.369) 10.132 8.775 ( 4.413 1.438 20.752) 21.265 8.805 ( 4.533 -0.953 22.747) 23.214 9.265 ( 8.712 1.017 -12.672) 15.412 9.297 ( 8.659 -0.738 -16.139) 18.330 9.708 ( -2.200 0.620 2.375) 3.296 9.785 ( 3.528 -7.342 3.068) 8.704 9.950 ( 5.634 6.332 2.530) 8.845 10.027 ( 13.009 1.226 -3.083) 13.426 10.120 ( 6.486 1.145 -4.085) 7.750 10.220 ( 6.029 -7.736 0.568) 9.824 10.375 ( 0.120 -0.308 -4.156) 4.169 10.501 ( 1.952 -10.685 -4.162) 11.632 10.742 ( 0.842 4.525 1.344) 4.795 10.805 ( 2.011 -0.230 -0.471) 2.078 11.139 ( -12.738 1.634 -4.491) 13.605 11.145 ( -7.147 0.543 -3.289) 7.886 11.354 ( 7.215 1.469 5.993) 9.494 11.400 ( 7.017 -2.852 0.527) 7.592 11.610 ( -9.204 7.919 6.930) 13.980 11.737 ( -4.182 -1.224 6.142) 7.531 11.844 ( -1.169 -3.390 2.499) 4.371 11.858 ( -0.796 -7.373 1.243) 7.519 12.284 ( -0.483 4.853 3.432) 5.963 12.327 ( 0.612 1.714 -2.107) 2.784 12.488 ( 2.132 4.136 5.784) 7.423 12.647 ( 8.842 -6.713 -2.386) 11.355 12.794 ( 1.475 -4.115 -2.627) 5.100 12.807 ( 6.136 -2.537 -2.963) 7.271 13.061 ( -0.532 11.338 2.030) 11.531 13.260 ( -2.893 -7.323 5.423) 9.560 13.442 ( 3.605 4.113 1.770) 5.748 13.517 ( 6.746 -1.441 -1.853) 7.142 13.722 ( 0.600 8.138 -1.067) 8.229 13.836 ( -3.594 4.369 -1.253) 5.794 13.938 ( 0.671 0.108 -5.084) 5.129 14.109 ( 0.318 -8.257 -3.394) 8.933 14.626 ( -1.234 24.595 -1.251) 24.657 14.691 ( -2.378 20.021 -5.305) 20.848 15.187 ( -9.390 -8.659 6.807) 14.474 15.318 ( -1.099 -11.391 -3.978) 12.116 15.427 ( -1.466 -1.488 0.739) 2.216 15.494 ( -1.603 -14.602 -0.934) 14.720 15.611 ( -3.472 0.624 -2.968) 4.610 15.691 ( -8.269 -11.492 -0.980) 14.192 15.738 ( -0.830 -1.662 9.585) 9.764 15.798 ( 3.712 -4.930 5.136) 8.029 16.483 ( 4.953 2.141 -3.029) 6.188 16.510 ( 4.861 -0.069 -2.726) 5.574 17.289 ( -12.686 9.404 21.439) 26.627 17.464 ( -16.389 -7.240 27.126) 32.509 17.631 ( -17.509 11.978 -20.751) 29.676 17.834 ( -21.217 -7.951 -26.163) 34.610 20.097 ( -3.954 2.263 0.958) 4.655 20.125 ( -3.208 -0.206 -1.371) 3.495 20.286 ( -6.089 5.032 4.139) 8.918 20.336 ( 1.893 2.107 1.366) 3.145 20.363 ( -2.963 -0.230 -1.082) 3.163 20.468 ( -3.605 -6.323 -2.115) 7.579 20.549 ( -0.300 2.205 -3.208) 3.905 20.636 ( -3.551 -5.108 -3.106) 6.953 20.969 ( -0.757 5.665 1.015) 5.805 21.034 ( 6.691 2.403 5.701) 9.113 21.053 ( 2.002 0.548 3.465) 4.039 21.116 ( 2.588 -3.505 -2.718) 5.135 21.393 ( -4.869 2.812 -1.304) 5.772 21.434 ( -2.788 -1.124 0.469) 3.042 21.551 ( -4.999 4.325 -0.881) 6.669 21.640 ( -5.184 -3.072 1.040) 6.115 21.827 ( 0.515 2.420 -0.856) 2.618 21.884 ( 0.958 -2.736 1.055) 3.085 21.951 ( -0.628 6.687 -2.885) 7.310 22.074 ( -0.494 -2.458 -4.093) 4.800 22.152 ( -8.235 5.482 -0.884) 9.932 22.341 ( -12.547 -4.955 4.682) 14.279 22.397 ( -0.189 0.802 -5.206) 5.271 22.542 ( -6.436 -7.022 -0.025) 9.525 23.212 ( 4.822 1.138 -2.616) 5.602 23.237 ( 5.779 -1.076 -5.157) 7.820 23.464 ( 4.905 2.133 2.044) 5.726 23.508 ( 3.382 -1.703 3.339) 5.048 24.029 ( 12.879 6.656 2.038) 14.640 24.148 ( 13.172 -4.759 -1.849) 14.127 24.501 ( 1.918 0.562 0.810) 2.157 24.522 ( 2.080 -1.366 1.523) 2.917 24.855 ( 2.670 4.119 -2.968) 5.736 24.922 ( 3.803 -1.445 -0.882) 4.162 25.148 ( -1.175 3.812 0.925) 4.095 25.164 ( 6.566 5.610 0.917) 8.684 25.246 ( -2.708 -2.672 1.956) 4.278 25.383 ( 4.191 -11.947 9.409) 15.774 25.588 ( 6.695 6.706 -3.474) 10.093 25.745 ( 3.913 -7.617 -1.797) 8.750 26.064 ( 0.230 6.981 0.191) 6.987 26.130 ( 1.713 0.807 1.439) 2.379 26.210 ( 1.285 2.696 -0.699) 3.068 26.236 ( 1.716 -0.835 1.883) 2.681 26.407 ( 0.789 5.400 3.865) 6.687 26.542 ( -0.298 -5.836 -0.509) 5.866 26.580 ( 1.839 2.319 -3.734) 4.765 26.631 ( -0.900 3.069 1.633) 3.591 26.718 ( -0.803 -7.024 -4.159) 8.202 26.773 ( -1.331 -5.813 1.688) 6.198 27.017 ( -1.278 4.185 -0.856) 4.459 27.125 ( -3.159 -6.834 -0.662) 7.558 27.191 ( 6.068 3.235 -0.184) 6.879 27.278 ( 9.326 -5.227 -0.368) 10.697 28.025 ( 13.474 3.640 -11.546) 18.114 28.089 ( 11.773 -2.867 -11.877) 16.967 28.910 ( -7.108 5.745 17.951) 20.143 29.038 ( -9.718 -6.701 16.802) 20.535 29.683 ( -1.568 8.430 -5.439) 10.154 29.845 ( -2.919 -7.160 -3.436) 8.461 ======================= Grid point 78 (42/78) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -1.954 11.992 8.753) 14.975 1.708 ( 3.255 -20.641 7.854) 22.323 2.433 ( -3.410 11.941 2.683) 12.705 2.612 ( 0.997 -5.057 0.907) 5.233 2.856 ( 7.270 -1.433 -4.829) 8.844 2.888 ( 4.113 -3.529 -3.129) 6.258 3.449 ( 13.781 4.195 -2.418) 14.607 3.503 ( 5.048 -1.182 -4.889) 7.125 3.684 ( 3.299 4.696 -2.713) 6.347 3.796 ( 11.095 -5.242 -1.915) 12.419 3.880 ( 1.834 7.801 -1.911) 8.238 3.913 ( 9.530 7.272 5.666) 13.259 4.045 ( 7.226 2.183 3.170) 8.187 4.241 ( 13.502 -10.327 4.463) 17.575 4.473 ( 4.493 5.826 1.972) 7.617 4.503 ( 1.329 2.168 -1.537) 2.972 4.662 ( 4.053 9.352 -5.912) 11.783 4.759 ( -1.164 -0.312 -0.603) 1.348 4.935 ( -0.236 -4.180 2.019) 4.648 4.991 ( 2.825 -8.441 -5.156) 10.287 5.257 ( -1.079 3.509 3.072) 4.787 5.292 ( 0.895 -1.179 5.387) 5.586 5.573 ( -9.863 1.305 -2.376) 10.229 5.595 ( -5.925 0.214 -2.208) 6.326 5.743 ( 5.499 -2.158 7.260) 9.360 5.767 ( 5.493 -2.249 5.919) 8.383 5.948 ( -0.004 4.630 -0.261) 4.638 6.018 ( 0.614 -1.250 2.789) 3.118 6.580 ( -1.039 10.369 14.467) 17.829 6.667 ( -2.212 6.357 6.386) 9.278 6.821 ( -7.013 8.417 -9.135) 14.264 6.966 ( -3.135 -0.255 -8.918) 9.456 7.030 ( -5.563 -0.599 -12.194) 13.417 7.086 ( -1.053 1.510 5.615) 5.909 7.212 ( 1.539 -10.114 -1.881) 10.402 7.314 ( -2.294 -11.067 2.470) 11.569 7.578 ( -7.029 2.983 -2.008) 7.896 7.640 ( -3.845 -0.241 0.905) 3.958 7.756 ( 5.103 3.623 1.675) 6.479 7.888 ( 2.795 -8.407 -4.516) 9.944 8.108 ( 19.822 1.538 -3.802) 20.242 8.181 ( 20.409 -4.286 -1.011) 20.879 8.406 ( 16.691 3.982 -6.029) 18.188 8.572 ( 16.315 -12.431 -1.657) 20.578 8.995 ( 4.369 5.464 8.236) 10.806 9.092 ( 6.510 -0.844 16.326) 17.596 9.292 ( 11.168 2.051 -15.581) 19.279 9.379 ( 12.624 -2.199 -2.891) 13.136 9.725 ( 1.439 4.287 3.849) 5.938 9.864 ( 3.485 -7.075 1.104) 7.964 10.066 ( 1.635 10.515 5.533) 11.994 10.129 ( -1.425 3.105 -3.904) 5.188 10.181 ( 0.053 0.817 -5.510) 5.571 10.264 ( 16.004 -5.037 -3.316) 17.102 10.521 ( 8.947 -3.322 5.521) 11.025 10.607 ( 5.625 -10.927 5.792) 13.586 10.724 ( -4.093 6.307 -1.068) 7.594 10.823 ( 0.698 -2.419 -5.425) 5.981 10.935 ( -2.054 1.654 -2.989) 3.986 11.001 ( -1.132 -5.425 -3.391) 6.497 11.402 ( -2.049 6.903 -2.675) 7.682 11.516 ( 4.194 -4.705 -2.209) 6.679 11.564 ( -4.213 1.446 7.665) 8.865 11.680 ( -7.639 -8.627 7.693) 13.855 11.836 ( -4.283 1.779 8.138) 9.367 11.897 ( -4.996 -3.592 8.319) 10.348 12.204 ( -4.987 5.129 -8.559) 11.155 12.265 ( -4.017 -0.330 -6.085) 7.298 12.578 ( 5.562 9.153 0.609) 10.728 12.745 ( 8.328 2.670 -5.043) 10.095 12.812 ( 4.111 -3.383 -2.239) 5.776 12.901 ( 5.053 -5.535 2.543) 7.915 13.161 ( 10.916 5.153 -2.420) 12.311 13.318 ( 6.412 -7.797 -3.130) 10.569 13.502 ( 1.688 3.523 -3.559) 5.284 13.558 ( 2.543 -2.427 -2.710) 4.438 13.766 ( 0.619 6.252 8.641) 10.684 13.806 ( 1.127 8.997 6.378) 11.086 13.921 ( 2.472 -2.683 -4.006) 5.418 14.070 ( -1.487 -8.597 -1.876) 8.924 14.548 ( -3.204 21.309 -2.416) 21.684 14.746 ( 6.259 14.978 6.143) 17.357 15.039 ( -14.423 -8.309 2.765) 16.874 15.203 ( -5.937 -5.693 -6.205) 10.304 15.367 ( -4.814 -4.677 -0.187) 6.714 15.435 ( -5.126 -6.158 -3.533) 8.756 15.497 ( -12.121 -4.621 -2.523) 13.215 15.528 ( -0.463 -9.727 -3.526) 10.356 15.849 ( 2.616 2.887 10.069) 10.797 15.967 ( 5.643 -7.327 8.604) 12.632 16.529 ( 3.898 3.171 -2.364) 5.553 16.573 ( 4.077 -1.205 -1.479) 4.501 17.086 ( -18.035 7.238 -15.682) 24.972 17.206 ( -21.726 -4.640 -21.146) 30.671 17.282 ( -12.469 8.357 14.200) 20.663 17.435 ( -17.568 -6.463 18.898) 26.600 20.007 ( -6.114 2.214 -0.795) 6.551 20.040 ( -4.532 -0.523 -1.988) 4.976 20.159 ( -8.828 4.938 0.478) 10.127 20.267 ( -9.134 -3.561 1.517) 9.920 20.371 ( -0.227 0.474 2.539) 2.593 20.404 ( 0.264 -2.573 -1.719) 3.106 20.533 ( -0.291 1.482 0.520) 1.597 20.589 ( -0.727 -3.464 -0.281) 3.551 20.919 ( -2.234 6.398 -2.374) 7.181 21.048 ( -1.102 -5.931 -1.728) 6.275 21.171 ( -0.184 6.794 3.630) 7.705 21.230 ( 4.161 0.929 2.823) 5.113 21.348 ( 1.457 3.438 1.751) 4.124 21.425 ( 0.900 -1.767 -0.460) 2.036 21.475 ( -3.726 1.409 3.113) 5.056 21.565 ( -4.200 -4.257 1.587) 6.187 21.843 ( 3.252 3.063 -2.756) 5.249 21.910 ( 1.112 -2.181 -3.057) 3.917 21.942 ( 0.943 2.760 1.833) 3.445 22.028 ( -3.813 -0.745 -1.260) 4.084 22.066 ( -0.497 3.264 1.165) 3.501 22.198 ( -8.385 -4.967 4.204) 10.614 22.340 ( -0.853 2.448 -4.367) 5.078 22.430 ( -5.650 -4.567 -1.547) 7.428 23.241 ( 3.446 0.556 -6.317) 7.217 23.251 ( 3.415 -0.286 -7.112) 7.894 23.510 ( -0.815 4.845 3.389) 5.968 23.602 ( 2.734 -3.781 4.767) 6.670 24.256 ( 11.613 3.854 0.868) 12.266 24.342 ( 11.079 -4.331 -1.517) 11.991 24.518 ( 0.238 1.841 0.667) 1.973 24.561 ( 0.701 -2.418 1.767) 3.076 24.899 ( 4.899 3.858 -2.140) 6.593 24.965 ( 3.314 -2.487 -1.808) 4.521 25.125 ( -1.100 3.635 -0.802) 3.881 25.199 ( -1.093 -3.297 -1.837) 3.929 25.312 ( 3.435 8.228 6.352) 10.947 25.483 ( 0.916 -7.704 3.693) 8.592 25.696 ( 7.544 5.495 -1.601) 9.469 25.805 ( 3.658 -3.329 -0.620) 4.985 26.085 ( 2.407 5.210 0.012) 5.739 26.171 ( 2.640 -1.268 -0.631) 2.996 26.250 ( 4.192 2.923 -1.822) 5.425 26.279 ( 2.323 -0.045 -0.695) 2.425 26.443 ( 0.807 4.990 1.258) 5.209 26.521 ( 0.512 -1.652 -0.543) 1.812 26.551 ( -0.620 -0.971 -5.357) 5.480 26.659 ( -1.787 4.141 4.745) 6.546 26.695 ( 0.742 -10.945 1.196) 11.035 26.784 ( -0.221 -6.076 2.049) 6.416 26.962 ( -2.583 3.331 -2.169) 4.740 27.061 ( -2.924 -6.365 -1.004) 7.076 27.304 ( 4.722 4.347 3.136) 7.143 27.403 ( 4.691 -5.137 1.511) 7.119 28.142 ( 12.009 1.998 -9.433) 15.401 28.178 ( 10.918 -1.573 -9.892) 14.817 28.946 ( -6.533 3.421 13.312) 15.219 29.019 ( -8.751 -3.489 11.967) 15.230 29.626 ( 0.945 7.526 -5.277) 9.240 29.776 ( -1.589 -6.985 -3.257) 7.869 ======================= Grid point 79 (43/78) ======================= q-point: ( 0.40 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.837 17.155 13.631) 21.928 1.845 ( 0.517 -18.381 10.182) 21.019 2.378 ( -1.635 13.782 -2.986) 14.197 2.647 ( 2.476 -13.533 -1.508) 13.840 2.856 ( 3.206 4.298 -6.112) 8.131 2.957 ( 4.399 -5.236 -2.698) 7.352 3.403 ( 0.762 3.895 -9.236) 10.052 3.510 ( -0.256 -6.034 -8.512) 10.437 3.825 ( 6.275 7.864 -3.145) 10.540 3.879 ( 0.237 6.390 3.026) 7.074 3.964 ( 9.191 -1.611 -0.221) 9.334 4.033 ( 3.315 -4.493 0.319) 5.592 4.263 ( 10.350 7.559 5.779) 14.059 4.412 ( 6.753 -3.879 -2.064) 8.057 4.525 ( 2.712 2.329 2.042) 4.117 4.555 ( 3.588 2.067 2.702) 4.945 4.694 ( -2.202 4.711 3.009) 6.008 4.784 ( 1.006 -3.981 3.134) 5.165 4.942 ( 1.897 3.047 -0.969) 3.718 5.054 ( 3.392 -7.086 2.238) 8.168 5.260 ( -2.635 -0.252 4.329) 5.074 5.303 ( -5.262 -3.932 2.272) 6.951 5.389 ( -4.922 6.978 0.817) 8.578 5.542 ( -0.179 -6.642 1.295) 6.770 5.773 ( -1.062 2.803 0.430) 3.028 5.856 ( -0.269 -4.243 2.349) 4.857 5.958 ( -3.657 7.151 8.643) 11.799 6.071 ( -4.026 -3.674 10.312) 11.664 6.572 ( 0.193 13.487 -9.979) 16.778 6.656 ( -0.150 5.432 3.075) 6.244 6.722 ( -2.406 0.981 0.688) 2.688 6.849 ( 0.140 -6.143 -0.800) 6.196 6.932 ( -4.519 5.192 4.200) 8.064 7.035 ( -5.450 -3.744 -1.681) 6.823 7.136 ( -3.861 3.788 4.006) 6.730 7.396 ( -5.260 -14.660 2.660) 15.800 7.543 ( 1.268 0.953 9.393) 9.526 7.620 ( 2.597 -3.919 -0.107) 4.703 7.794 ( -3.233 0.844 5.277) 6.246 7.841 ( -1.149 -4.414 -1.531) 4.811 8.417 ( 7.876 -0.612 -4.526) 9.105 8.462 ( 13.534 -4.545 -5.265) 15.216 8.574 ( 14.651 8.496 -6.992) 18.323 8.809 ( 12.513 -13.852 -1.138) 18.701 9.147 ( 17.352 7.946 -10.427) 21.747 9.291 ( 8.739 -3.782 -3.239) 10.058 9.397 ( 8.801 8.845 -3.759) 13.032 9.554 ( 6.909 -5.092 -0.488) 8.596 9.827 ( 3.843 6.576 3.356) 8.323 9.933 ( 3.014 -2.063 -2.974) 4.710 10.019 ( -3.320 4.970 1.254) 6.107 10.085 ( -1.834 1.871 2.368) 3.532 10.264 ( 11.190 10.106 -3.061) 15.386 10.425 ( -3.166 -0.669 -6.828) 7.556 10.462 ( -5.367 2.417 0.269) 5.892 10.620 ( -3.292 -10.714 2.525) 11.489 10.766 ( 4.100 -0.615 6.320) 7.558 10.876 ( 2.492 -5.725 2.130) 6.597 10.963 ( 7.207 0.337 -7.083) 10.110 10.996 ( 0.492 -2.817 -4.181) 5.065 11.340 ( -3.876 4.898 0.745) 6.290 11.489 ( -3.919 -9.657 -1.650) 10.552 11.562 ( -0.406 -0.843 -1.366) 1.656 11.617 ( -4.206 -5.263 2.647) 7.239 11.835 ( -7.307 -0.122 11.218) 13.388 11.859 ( -7.931 -1.789 4.425) 9.256 12.077 ( 1.420 3.799 -4.597) 6.131 12.139 ( -1.456 -2.028 -1.712) 3.027 12.686 ( 7.214 14.630 -1.502) 16.381 12.828 ( 4.989 6.637 -2.727) 8.739 12.889 ( 4.934 -0.523 -0.809) 5.027 12.994 ( 6.416 -10.785 -1.363) 12.623 13.311 ( 5.906 2.383 -10.470) 12.255 13.360 ( 6.616 0.360 -3.466) 7.478 13.486 ( 1.773 2.671 0.837) 3.314 13.593 ( 2.564 -6.072 4.083) 7.753 13.869 ( 2.494 4.784 1.390) 5.571 13.926 ( 3.214 1.333 -2.169) 4.100 13.992 ( 5.363 -1.563 7.508) 9.358 14.064 ( 0.049 -4.943 5.202) 7.176 14.511 ( 0.639 15.682 2.563) 15.903 14.776 ( -12.444 -1.590 -3.104) 12.924 14.931 ( 1.162 0.507 5.751) 5.890 15.067 ( -1.095 -1.008 -6.718) 6.881 15.192 ( -12.578 -3.489 2.465) 13.284 15.258 ( -8.996 -6.265 -2.896) 11.339 15.356 ( -2.635 2.897 -0.583) 3.959 15.521 ( 2.681 -10.745 -4.880) 12.102 15.972 ( 0.177 3.502 5.860) 6.829 16.073 ( -0.566 -5.033 -0.624) 5.103 16.552 ( 1.053 3.053 -3.781) 4.972 16.602 ( 0.075 -0.901 -0.834) 1.231 16.714 ( -7.458 1.768 -9.008) 11.828 16.770 ( -8.347 -3.369 -7.320) 11.602 17.202 ( -10.281 6.482 8.232) 14.679 17.301 ( -14.531 -3.226 10.391) 18.153 19.907 ( -4.101 2.736 0.234) 4.935 19.959 ( -2.792 -1.858 -0.485) 3.389 20.054 ( -5.093 2.478 2.663) 6.259 20.136 ( -6.923 -4.582 2.367) 8.633 20.395 ( 0.511 1.123 1.648) 2.058 20.416 ( 0.246 -0.905 1.942) 2.156 20.542 ( -0.472 2.317 2.301) 3.299 20.594 ( -0.337 -2.486 3.494) 4.302 20.870 ( -0.510 6.279 -2.141) 6.654 21.011 ( -0.474 -6.405 -3.016) 7.095 21.145 ( -4.112 7.909 3.122) 9.445 21.257 ( -0.377 -1.286 -0.678) 1.501 21.394 ( -1.917 7.047 2.467) 7.708 21.424 ( 1.245 -0.299 -0.508) 1.377 21.483 ( 0.515 -5.679 -0.302) 5.710 21.552 ( 1.241 -6.213 0.026) 6.335 21.846 ( 1.103 3.271 -5.435) 6.438 21.889 ( 1.917 -0.495 -4.841) 5.230 21.949 ( -0.930 4.597 0.797) 4.757 22.020 ( 0.867 1.100 0.242) 1.421 22.056 ( -2.326 -0.543 0.383) 2.419 22.130 ( -4.269 -4.658 0.742) 6.362 22.287 ( -0.869 3.245 -1.584) 3.714 22.357 ( -1.567 -2.974 0.393) 3.384 23.239 ( 3.274 0.484 -4.204) 5.351 23.252 ( 3.748 -0.463 -3.210) 4.956 23.528 ( -1.634 7.697 4.523) 9.075 23.673 ( 0.551 -5.948 3.797) 7.078 24.408 ( 4.800 2.045 1.030) 5.318 24.465 ( 4.416 -2.924 -0.818) 5.359 24.558 ( 2.351 1.431 3.473) 4.432 24.602 ( 1.846 -2.683 3.097) 4.494 24.956 ( 3.187 2.641 -0.943) 4.245 24.996 ( 1.304 -1.277 -0.272) 1.845 25.098 ( -0.671 3.069 -1.537) 3.498 25.155 ( -1.081 -2.286 -2.963) 3.895 25.408 ( 1.251 5.592 4.717) 7.422 25.512 ( -0.341 -4.140 2.166) 4.685 25.778 ( 4.196 4.949 -2.587) 6.985 25.839 ( 1.416 0.309 -1.160) 1.856 26.138 ( 2.655 2.442 0.930) 3.726 26.218 ( 4.044 -2.403 -0.933) 4.796 26.275 ( 2.168 2.043 -4.034) 5.014 26.318 ( 3.539 4.250 -1.414) 5.708 26.460 ( 0.384 0.007 -3.994) 4.013 26.489 ( -0.579 -0.374 -0.742) 1.013 26.550 ( 1.949 1.160 0.306) 2.288 26.641 ( -2.599 -0.639 -0.243) 2.688 26.724 ( -1.827 -7.548 3.790) 8.642 26.781 ( -0.499 -4.910 -1.075) 5.051 26.913 ( -1.511 2.696 -0.186) 3.096 27.012 ( -1.164 -6.007 -2.074) 6.461 27.412 ( 1.608 2.952 8.642) 9.273 27.484 ( 1.519 -3.892 5.718) 7.082 28.238 ( 8.905 1.313 -7.957) 12.014 28.261 ( 8.795 -0.932 -7.949) 11.891 28.944 ( -6.575 1.828 9.288) 11.526 28.980 ( -7.578 -1.591 9.007) 11.877 29.603 ( 2.613 5.746 -6.493) 9.055 29.720 ( -0.158 -5.572 -5.558) 7.871 ======================= Grid point 80 (44/78) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -6.338 17.759 13.703) 23.309 1.901 ( -5.065 -16.258 10.670) 20.095 2.320 ( -0.587 13.901 -6.081) 15.184 2.632 ( -0.347 -16.536 -5.584) 17.457 2.878 ( 2.676 2.890 -1.655) 4.272 2.965 ( -0.306 -5.599 -4.510) 7.196 3.393 ( 6.773 -0.453 -6.821) 9.623 3.409 ( 2.650 -1.928 -9.688) 10.227 3.852 ( -1.167 8.375 -3.184) 9.036 3.903 ( 0.800 4.253 3.322) 5.456 4.032 ( -3.328 -0.477 2.319) 4.085 4.090 ( 3.864 -5.202 0.048) 6.480 4.449 ( 7.145 5.397 1.858) 9.145 4.477 ( -0.513 7.305 -1.038) 7.396 4.540 ( -9.526 0.328 4.047) 10.355 4.610 ( 2.771 -5.898 -1.291) 6.644 4.641 ( -2.616 8.184 2.615) 8.981 4.827 ( -1.319 -3.200 7.543) 8.299 4.969 ( 2.280 3.957 -0.702) 4.621 5.114 ( 1.398 -6.789 3.380) 7.711 5.194 ( -5.964 2.440 1.150) 6.546 5.236 ( -1.579 -4.248 0.628) 4.575 5.484 ( 2.441 0.505 10.289) 10.586 5.588 ( 0.597 -7.440 6.509) 9.903 5.810 ( 4.470 5.505 3.306) 7.824 5.895 ( 1.309 -3.375 4.727) 5.954 5.958 ( -6.001 3.621 7.583) 10.326 6.047 ( -8.629 -4.247 6.370) 11.536 6.555 ( 4.120 12.034 -2.047) 12.884 6.696 ( -2.198 2.772 4.723) 5.901 6.706 ( -4.079 1.414 4.453) 6.202 6.829 ( 2.902 -11.121 -8.598) 14.354 6.975 ( -1.520 10.235 11.422) 15.412 7.028 ( 1.373 4.909 7.248) 8.861 7.148 ( 6.555 -0.360 1.677) 6.776 7.338 ( -1.071 -14.014 2.093) 14.210 7.609 ( -3.371 1.603 8.683) 9.451 7.675 ( 1.163 -2.630 0.261) 2.887 7.769 ( -4.001 2.677 7.101) 8.579 7.862 ( 2.911 -5.537 2.300) 6.665 8.391 ( 0.917 -2.682 -15.273) 15.534 8.416 ( -0.955 -4.848 -8.831) 10.119 8.789 ( 5.721 7.089 0.545) 9.126 8.938 ( 2.058 -7.560 2.616) 8.261 9.261 ( -14.122 8.647 -4.750) 17.227 9.369 ( 10.411 2.506 -13.648) 17.347 9.429 ( 15.667 2.454 -15.815) 22.396 9.522 ( -1.553 -8.863 -6.802) 11.280 9.825 ( -0.906 4.902 -3.645) 6.175 9.930 ( -1.079 -4.104 -5.667) 7.079 10.025 ( -6.413 7.456 4.458) 10.798 10.070 ( -10.056 5.971 1.828) 11.837 10.168 ( 1.359 9.473 -2.110) 9.800 10.402 ( 1.629 -7.596 -2.512) 8.165 10.475 ( 3.875 7.464 2.717) 8.837 10.656 ( 3.459 -4.163 -0.562) 5.441 10.763 ( -8.516 -3.712 -3.222) 9.833 10.852 ( -5.219 -7.303 0.585) 8.995 10.976 ( 7.535 -1.915 -5.455) 9.498 11.024 ( 7.741 -6.097 -2.218) 10.100 11.277 ( -3.447 0.965 -1.160) 3.763 11.349 ( -5.847 -5.812 -6.609) 10.566 11.611 ( 3.998 -0.219 6.498) 7.633 11.637 ( -2.420 -2.362 8.021) 8.705 11.749 ( -5.574 1.126 1.606) 5.909 11.808 ( -3.896 -4.751 3.904) 7.280 12.150 ( 6.175 3.829 1.050) 7.341 12.189 ( 3.873 0.458 1.366) 4.133 12.756 ( 0.146 16.287 -0.725) 16.304 12.838 ( -0.646 6.328 -4.199) 7.622 12.927 ( 0.333 -0.253 0.630) 0.756 13.076 ( 1.287 -10.343 -0.200) 10.424 13.241 ( -0.049 5.065 -4.175) 6.564 13.391 ( 2.572 -8.016 -7.549) 11.307 13.598 ( 4.977 7.249 4.576) 9.913 13.718 ( 4.722 -3.306 3.534) 6.761 13.875 ( -3.146 2.788 0.335) 4.217 13.937 ( -2.618 -2.150 -0.218) 3.395 14.014 ( -2.245 -0.902 0.359) 2.446 14.056 ( -5.504 -3.246 2.680) 6.929 14.602 ( -3.705 6.459 9.034) 11.707 14.741 ( 4.971 -1.698 -0.154) 5.255 14.785 ( -5.092 5.106 -2.079) 7.504 14.961 ( 1.970 -6.172 -5.426) 8.450 15.145 ( 3.840 2.802 -0.361) 4.768 15.296 ( 1.074 5.221 1.508) 5.539 15.336 ( 3.292 -7.940 5.571) 10.243 15.493 ( 1.090 -5.373 -7.090) 8.963 15.912 ( -4.992 -2.366 -6.482) 8.517 15.938 ( -7.435 -4.196 -4.022) 9.437 16.494 ( -1.884 2.650 -7.664) 8.325 16.526 ( 0.581 -0.558 -7.662) 7.704 16.770 ( 11.176 2.930 7.743) 13.909 16.846 ( 9.579 -4.355 10.351) 14.761 17.099 ( -6.521 5.395 1.104) 8.535 17.170 ( -6.707 -1.435 1.990) 7.142 19.896 ( 0.887 2.689 2.786) 3.972 19.951 ( 0.942 -2.104 1.784) 2.914 20.031 ( -1.120 1.662 3.024) 3.627 20.097 ( -0.762 -3.894 2.742) 4.823 20.411 ( -0.649 1.679 2.085) 2.754 20.441 ( -0.029 -1.088 2.657) 2.872 20.564 ( -0.540 4.016 4.678) 6.189 20.647 ( 0.524 -3.669 7.152) 8.055 20.869 ( 2.026 5.180 -0.966) 5.646 20.984 ( 1.002 -4.725 -2.800) 5.583 21.120 ( -1.699 7.069 2.333) 7.635 21.243 ( -0.039 -2.415 -0.387) 2.447 21.369 ( -1.355 4.626 -3.138) 5.752 21.423 ( -1.340 0.028 2.082) 2.476 21.453 ( -1.303 -3.587 -6.199) 7.279 21.570 ( 0.242 -7.182 -0.610) 7.212 21.821 ( 2.697 3.904 -6.269) 7.862 21.858 ( 1.122 0.281 -3.879) 4.048 21.954 ( -3.530 3.077 -2.849) 5.481 21.969 ( 1.333 5.080 0.329) 5.263 22.005 ( -3.187 -1.519 -3.124) 4.714 22.079 ( 0.237 -4.873 -1.931) 5.247 22.311 ( 2.387 1.009 1.529) 3.009 22.355 ( -0.179 -2.651 0.921) 2.813 23.286 ( 4.235 1.682 -0.313) 4.567 23.313 ( 3.287 -0.784 1.071) 3.545 23.540 ( -2.045 7.678 5.330) 9.568 23.687 ( -2.290 -6.093 2.238) 6.883 24.461 ( 0.005 1.396 2.554) 2.911 24.501 ( 0.241 -1.935 0.818) 2.115 24.620 ( -0.474 1.235 4.672) 4.856 24.660 ( -0.423 -2.399 4.426) 5.052 24.982 ( 0.456 1.115 -0.976) 1.551 25.004 ( -0.029 -0.829 -0.118) 0.838 25.076 ( 0.490 2.351 -2.444) 3.426 25.113 ( 0.253 -1.055 -4.032) 4.176 25.439 ( -2.338 4.614 3.871) 6.461 25.524 ( -0.957 -3.244 2.785) 4.381 25.795 ( 1.900 4.696 -3.638) 6.237 25.836 ( 0.145 0.548 -2.132) 2.206 26.174 ( -0.293 2.989 1.691) 3.446 26.260 ( -0.471 -0.144 -1.238) 1.332 26.292 ( 4.616 0.040 -1.067) 4.738 26.348 ( 0.596 7.719 -1.337) 7.857 26.393 ( -0.173 -3.816 -6.391) 7.446 26.485 ( -2.305 -2.720 0.862) 3.668 26.545 ( -0.746 4.895 -4.948) 7.000 26.600 ( 1.012 -0.826 -3.129) 3.391 26.705 ( -2.661 -5.618 2.990) 6.898 26.759 ( -1.273 -8.931 -1.303) 9.115 26.912 ( 1.023 2.547 1.614) 3.184 26.990 ( 0.785 -4.514 -1.437) 4.802 27.518 ( -1.407 1.934 12.030) 12.265 27.571 ( -0.408 -3.187 9.652) 10.172 28.283 ( 5.644 1.659 -8.525) 10.358 28.314 ( 6.201 -1.367 -7.783) 10.045 28.905 ( -7.413 1.594 7.456) 10.634 28.937 ( -7.581 -1.406 8.867) 11.750 29.581 ( 2.973 4.200 -7.908) 9.435 29.665 ( 1.673 -3.894 -8.098) 9.141 ======================= Grid point 81 (45/78) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.913 15.876 15.670) 23.077 1.901 ( -7.754 -16.603 13.543) 22.786 2.251 ( 0.004 12.208 -6.212) 13.698 2.534 ( -4.285 -15.084 -5.826) 16.728 2.845 ( -4.630 -0.640 -6.661) 8.138 2.899 ( 1.857 -5.519 -4.617) 7.431 3.381 ( 3.324 7.110 -9.734) 12.504 3.515 ( 10.036 -6.117 -8.882) 14.732 3.709 ( -10.777 11.003 0.692) 15.418 3.896 ( -7.931 -6.350 3.018) 10.599 3.989 ( -2.933 7.672 2.760) 8.665 4.112 ( -2.351 -3.060 1.716) 4.224 4.353 ( -14.789 1.705 3.625) 15.322 4.389 ( -9.203 -1.240 1.826) 9.464 4.504 ( -0.047 7.597 -0.366) 7.606 4.603 ( -0.680 3.738 1.152) 3.971 4.665 ( -1.405 4.982 2.295) 5.662 4.862 ( -0.709 -6.655 -0.750) 6.735 5.047 ( 5.165 6.552 5.367) 9.920 5.116 ( -3.743 7.039 0.974) 8.032 5.219 ( 5.111 -8.200 7.417) 12.181 5.234 ( -1.309 -6.238 -0.554) 6.398 5.561 ( -1.124 3.802 3.013) 4.980 5.673 ( 0.773 -5.029 10.031) 11.248 5.810 ( -11.530 3.170 -3.475) 12.453 5.872 ( -11.052 -2.414 -0.943) 11.352 5.977 ( -1.438 -3.435 10.407) 11.053 5.999 ( 4.760 -3.766 3.161) 6.843 6.566 ( -10.893 3.064 5.791) 12.711 6.613 ( -13.292 -1.793 2.417) 13.628 6.665 ( 2.812 9.178 -3.921) 10.369 6.784 ( 6.891 -0.040 -6.830) 9.703 7.090 ( 4.397 2.449 9.441) 10.699 7.214 ( 4.393 -4.030 8.104) 10.061 7.343 ( 8.628 4.406 1.936) 9.879 7.412 ( 6.699 -3.083 4.421) 8.599 7.662 ( 1.777 -1.378 1.187) 2.543 7.671 ( -0.585 -1.073 1.617) 2.027 7.884 ( 6.474 2.143 14.216) 15.767 7.964 ( 2.486 -5.977 4.469) 7.866 8.228 ( 1.093 5.103 -9.877) 11.171 8.385 ( 4.581 -7.116 -2.240) 8.755 8.620 ( -19.574 12.546 -10.895) 25.676 8.787 ( -26.670 -0.459 -8.296) 27.934 8.951 ( -4.616 -3.198 1.743) 5.880 9.094 ( -16.133 -11.025 -7.595) 20.965 9.558 ( -2.537 4.224 0.135) 4.929 9.623 ( -1.686 0.528 -3.710) 4.109 9.650 ( -5.062 6.146 -10.560) 13.225 9.764 ( 14.358 -5.329 -6.409) 16.601 9.937 ( -8.256 2.298 0.586) 8.590 10.018 ( -6.178 -6.202 -1.742) 8.926 10.208 ( 4.681 9.940 -7.815) 13.483 10.399 ( 3.975 -7.939 -3.891) 9.694 10.559 ( 1.066 7.741 4.053) 8.802 10.627 ( -1.777 1.014 1.257) 2.401 10.704 ( 0.729 -2.332 3.298) 4.104 10.752 ( -5.390 -7.654 1.593) 9.496 11.066 ( 4.661 0.000 -6.379) 7.900 11.177 ( 9.722 -8.389 -4.113) 13.484 11.201 ( -1.247 0.993 0.724) 1.751 11.239 ( -2.850 -2.741 -0.994) 4.077 11.599 ( -6.803 2.294 4.162) 8.299 11.668 ( -4.705 -3.963 2.728) 6.729 11.795 ( 5.444 2.008 8.600) 10.374 11.859 ( 2.763 -3.454 7.970) 9.115 12.212 ( 1.388 3.006 -5.311) 6.259 12.238 ( 3.921 1.526 -4.728) 6.330 12.647 ( -8.814 14.592 -2.304) 17.202 12.750 ( -4.619 6.091 -3.360) 8.350 12.907 ( -3.107 -3.372 -0.062) 4.585 13.007 ( -7.990 -9.853 -0.679) 12.704 13.210 ( -2.548 3.319 -3.572) 5.502 13.320 ( -4.764 -6.538 -6.813) 10.577 13.612 ( -6.983 4.695 -3.469) 9.102 13.703 ( -5.817 -4.556 -1.807) 7.606 13.802 ( -4.429 8.572 8.347) 12.758 13.869 ( 0.228 3.638 7.644) 8.469 14.083 ( 5.542 -2.870 2.621) 6.769 14.106 ( 2.680 -5.764 3.698) 7.354 14.594 ( -2.864 12.778 2.865) 13.405 14.665 ( 0.588 1.661 -0.097) 1.765 14.776 ( 1.247 6.451 -4.718) 8.089 15.189 ( 5.406 -8.317 1.188) 9.990 15.234 ( 11.139 -4.535 0.385) 12.033 15.323 ( 9.667 5.866 -4.429) 12.144 15.433 ( 1.551 -11.117 -2.249) 11.448 15.475 ( 3.894 -4.088 -1.773) 5.918 15.805 ( -0.280 -1.082 0.427) 1.196 15.847 ( -3.451 -5.999 2.569) 7.382 16.393 ( 2.787 3.925 -10.366) 11.429 16.498 ( 3.591 -5.665 -6.330) 9.223 16.896 ( -6.064 4.240 -2.779) 7.904 16.951 ( -5.925 -1.015 -1.764) 6.265 17.220 ( 20.256 8.943 8.518) 23.724 17.364 ( 24.252 -5.404 10.269) 26.886 19.966 ( 3.274 2.467 2.736) 4.929 20.004 ( 3.189 0.540 0.219) 3.241 20.067 ( 2.116 0.304 2.612) 3.375 20.140 ( 3.386 -4.851 -0.130) 5.917 20.428 ( -0.236 3.006 3.994) 5.004 20.470 ( 0.554 -0.929 2.652) 2.864 20.626 ( 0.790 4.379 7.771) 8.955 20.740 ( 0.507 -5.872 9.486) 11.168 20.901 ( 2.061 5.008 -1.150) 5.536 20.991 ( 1.592 -3.461 -1.568) 4.120 21.145 ( 2.627 6.667 2.180) 7.491 21.231 ( -6.175 3.404 -7.279) 10.134 21.265 ( 2.365 -2.781 -1.739) 4.043 21.318 ( -5.340 -4.906 -8.480) 11.158 21.453 ( 2.074 3.666 2.425) 4.860 21.554 ( -0.591 -3.832 1.281) 4.083 21.827 ( 5.080 3.786 -5.158) 8.170 21.868 ( 1.016 0.320 -3.400) 3.562 21.895 ( -0.654 3.098 -0.235) 3.175 21.965 ( 2.227 -1.279 -0.491) 2.615 22.011 ( 3.481 1.627 -0.200) 3.848 22.074 ( 1.440 -3.184 -1.482) 3.796 22.353 ( 1.275 -1.231 -1.306) 2.202 22.377 ( 3.106 -3.415 0.504) 4.644 23.305 ( -2.322 3.685 -1.858) 4.736 23.353 ( 0.904 -1.084 -0.877) 1.662 23.580 ( -0.864 3.443 6.999) 7.848 23.649 ( -3.862 -3.067 1.594) 5.183 24.427 ( -7.543 2.851 1.896) 8.284 24.491 ( -3.458 -2.957 1.586) 4.819 24.642 ( -2.199 1.001 5.596) 6.095 24.666 ( -3.590 -1.178 4.630) 5.976 24.936 ( -2.779 1.692 -4.129) 5.257 24.978 ( -0.723 -1.949 -5.112) 5.518 25.080 ( 1.314 0.610 0.113) 1.453 25.091 ( 0.396 -0.182 -1.860) 1.911 25.419 ( -4.455 5.977 4.724) 8.825 25.533 ( -2.150 -4.771 4.354) 6.807 25.778 ( -0.055 3.182 -3.785) 4.946 25.809 ( -0.471 0.426 -2.090) 2.185 26.155 ( -3.605 4.360 1.338) 5.813 26.221 ( -2.425 0.280 -1.503) 2.867 26.272 ( -4.019 5.130 -3.178) 7.251 26.321 ( -1.470 -1.459 -2.335) 3.121 26.365 ( -1.756 1.168 -1.452) 2.561 26.413 ( -0.856 0.851 -4.384) 4.547 26.518 ( 1.866 -0.064 -2.950) 3.491 26.601 ( 3.778 -3.770 -3.441) 6.351 26.721 ( 0.044 -5.682 4.220) 7.078 26.733 ( -0.276 -6.243 0.743) 6.293 26.968 ( 2.896 1.062 1.118) 3.281 27.009 ( 2.412 -2.521 -0.366) 3.508 27.578 ( -5.784 1.673 12.287) 13.684 27.627 ( -4.848 -3.037 9.925) 11.456 28.263 ( 3.648 2.509 -12.047) 12.835 28.312 ( 4.139 -2.241 -11.320) 12.259 28.837 ( -9.879 2.740 9.072) 13.689 28.899 ( -8.646 -3.194 11.890) 15.044 29.564 ( 4.495 4.015 -7.498) 9.620 29.638 ( 5.140 -2.972 -8.465) 10.340 ======================= Grid point 82 (46/78) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.187 12.724 19.269) 23.091 1.944 ( -3.256 -12.086 15.535) 19.950 2.213 ( 0.840 7.422 -2.728) 7.952 2.395 ( -4.262 -9.460 -7.449) 12.773 2.707 ( -3.564 7.257 -5.077) 9.547 2.874 ( 1.642 -6.798 -6.980) 9.881 3.136 ( -17.024 11.963 -10.939) 23.507 3.414 ( -9.796 -12.439 -11.340) 19.475 3.634 ( -4.354 11.032 1.698) 11.981 3.806 ( -7.559 -6.896 2.864) 10.625 3.927 ( -7.778 10.435 2.510) 13.254 4.065 ( -7.213 0.975 4.251) 8.429 4.171 ( -7.479 -1.048 3.653) 8.389 4.202 ( -15.075 -3.451 0.840) 15.487 4.443 ( -8.805 5.365 0.523) 10.324 4.554 ( -8.737 -5.264 5.027) 11.372 4.633 ( -9.213 8.646 0.765) 12.658 4.744 ( -8.894 -2.251 -4.186) 10.085 5.080 ( -2.092 6.187 -4.914) 8.173 5.100 ( -5.201 2.933 -4.466) 7.456 5.235 ( 5.972 6.688 7.247) 11.529 5.383 ( 0.491 -5.208 4.495) 6.897 5.479 ( -6.351 0.640 -1.987) 6.685 5.497 ( -10.733 -0.486 -3.633) 11.341 5.703 ( -4.510 2.159 0.863) 5.075 5.830 ( 6.486 -8.046 4.354) 11.214 6.078 ( 4.722 -1.543 5.492) 7.405 6.097 ( 1.733 -5.013 5.379) 7.554 6.385 ( -12.388 -1.232 0.710) 12.469 6.402 ( -12.244 -3.179 5.000) 13.602 6.700 ( 1.804 10.925 0.969) 11.115 6.852 ( 2.523 -3.634 -1.836) 4.790 7.226 ( -3.798 -1.056 5.491) 6.760 7.228 ( -3.371 -1.586 3.551) 5.147 7.454 ( 2.935 10.470 -3.853) 11.537 7.558 ( 7.836 3.216 -1.810) 8.661 7.634 ( -3.803 -2.863 -8.498) 9.741 7.712 ( 4.570 -6.567 -1.168) 8.085 7.906 ( 1.493 0.069 -9.846) 9.959 8.000 ( 0.214 -7.448 -7.772) 10.767 8.156 ( -20.792 6.873 -3.673) 22.204 8.219 ( -14.972 2.012 -2.707) 15.347 8.477 ( 4.453 7.177 15.736) 17.860 8.620 ( 0.170 -6.219 11.564) 13.131 8.774 ( -14.760 0.022 8.675) 17.120 8.874 ( -6.017 -8.683 11.863) 15.885 9.407 ( 0.289 3.133 -13.642) 14.000 9.431 ( -1.191 2.322 -2.561) 3.656 9.678 ( -4.769 -4.475 -11.042) 12.833 9.734 ( -10.505 -6.697 -1.898) 12.602 9.898 ( 7.872 0.815 1.622) 8.079 9.994 ( 7.358 -7.339 -3.123) 10.851 10.205 ( 1.431 10.267 -2.852) 10.752 10.389 ( -5.083 -7.397 1.209) 9.056 10.581 ( -2.108 6.504 1.514) 7.002 10.656 ( -3.580 1.073 1.625) 4.075 10.731 ( 3.140 -1.236 1.827) 3.838 10.767 ( 1.659 -3.750 4.742) 6.269 11.025 ( -0.794 5.473 -3.342) 6.462 11.159 ( -0.292 -4.709 -2.351) 5.271 11.204 ( -0.473 -1.369 -1.724) 2.251 11.276 ( 3.263 -7.350 -4.150) 9.049 11.592 ( 1.971 4.277 5.608) 7.323 11.659 ( 1.358 -1.874 2.883) 3.697 11.932 ( 0.009 4.042 9.442) 10.271 12.011 ( 3.355 -2.873 8.865) 9.904 12.126 ( -4.593 4.972 -5.015) 8.425 12.214 ( 0.080 -2.953 -4.954) 5.768 12.483 ( -6.199 11.698 -4.293) 13.918 12.640 ( -2.716 3.495 -6.262) 7.668 12.822 ( -5.600 -9.128 -3.319) 11.211 12.863 ( -4.397 -7.832 -1.407) 9.091 13.055 ( -9.971 1.703 -3.464) 10.692 13.111 ( -11.162 -3.458 -3.623) 12.234 13.464 ( -5.172 9.258 -0.223) 10.607 13.642 ( -0.292 -6.935 -0.037) 6.941 13.893 ( 2.939 4.389 3.342) 6.251 13.941 ( -0.690 6.159 4.665) 7.757 14.082 ( -6.022 0.920 0.087) 6.092 14.237 ( 5.220 -5.919 7.487) 10.878 14.604 ( 2.777 25.682 -0.311) 25.834 14.728 ( 3.117 8.036 -7.530) 11.445 14.764 ( 6.759 -2.404 -0.174) 7.176 15.216 ( 0.029 -2.707 -0.005) 2.707 15.338 ( 7.966 -13.131 -5.125) 16.191 15.420 ( 2.747 -8.350 -0.430) 8.801 15.506 ( 6.897 -2.481 -1.376) 7.458 15.587 ( 8.708 -8.519 0.888) 12.214 15.834 ( -3.117 0.742 7.324) 7.995 15.887 ( 0.790 -4.708 7.420) 8.823 16.431 ( 12.607 3.806 -8.545) 15.699 16.544 ( 7.853 -6.692 -3.408) 10.866 16.719 ( -8.030 4.622 -6.269) 11.187 16.785 ( -8.096 -1.372 -5.977) 10.156 17.706 ( 25.658 14.049 7.215) 30.130 17.937 ( 29.673 -8.883 8.588) 32.143 20.022 ( 1.478 3.229 -0.963) 3.679 20.052 ( 4.348 1.799 -2.261) 5.221 20.139 ( 2.259 -1.719 2.427) 3.735 20.192 ( 4.038 -5.310 -1.612) 6.863 20.486 ( 1.410 2.498 4.558) 5.386 20.505 ( 0.656 0.645 2.058) 2.254 20.720 ( 1.311 4.213 6.428) 7.796 20.822 ( -0.763 -3.472 5.687) 6.707 20.872 ( -3.576 3.354 -3.838) 6.226 20.930 ( -4.355 -3.083 -5.049) 7.345 21.129 ( 0.949 2.126 1.601) 2.826 21.168 ( -2.662 0.624 0.461) 2.772 21.273 ( 8.154 0.717 -0.400) 8.195 21.340 ( 6.388 -3.198 0.037) 7.144 21.535 ( 4.889 3.665 1.959) 6.416 21.590 ( 2.512 -0.992 1.535) 3.106 21.840 ( -1.314 1.192 -0.133) 1.780 21.855 ( 1.104 -0.022 -2.308) 2.559 21.925 ( 6.308 7.492 -1.414) 9.895 22.048 ( 5.511 2.857 1.005) 6.288 22.080 ( 5.186 -1.412 -1.458) 5.569 22.132 ( 6.278 -4.007 2.497) 7.855 22.360 ( 3.185 -0.617 -4.184) 5.294 22.443 ( 4.390 -6.324 -0.647) 7.726 23.203 ( -5.426 3.978 -3.895) 7.775 23.286 ( -5.125 -3.990 -5.512) 8.518 23.593 ( -5.474 1.533 1.975) 6.018 23.603 ( -3.933 0.833 4.454) 6.001 24.248 ( -14.428 6.972 0.232) 16.026 24.393 ( -9.187 -6.550 0.623) 11.300 24.632 ( -4.264 0.734 2.105) 4.812 24.641 ( -4.559 -0.083 4.830) 6.642 24.821 ( -5.566 2.247 -4.260) 7.360 24.884 ( -2.203 -3.772 -8.850) 9.869 25.084 ( -0.735 1.135 0.877) 1.611 25.107 ( 0.361 -1.115 1.625) 2.004 25.384 ( -5.605 6.449 5.622) 10.228 25.525 ( -4.754 -6.759 5.590) 9.976 25.723 ( -2.563 2.989 -2.060) 4.444 25.784 ( -0.338 -1.850 -1.928) 2.694 26.101 ( -3.017 5.029 0.763) 5.914 26.154 ( -2.110 0.509 -2.899) 3.622 26.175 ( -4.922 3.836 -1.124) 6.340 26.257 ( -1.485 -3.036 -2.528) 4.221 26.298 ( -2.651 6.147 -0.899) 6.754 26.396 ( 1.710 0.387 -3.220) 3.666 26.521 ( 1.317 -0.056 -2.701) 3.006 26.654 ( 3.504 -9.739 -0.382) 10.357 26.749 ( 0.990 -1.223 2.566) 3.010 26.801 ( 3.652 -5.339 3.418) 7.316 27.003 ( 1.359 2.157 -1.298) 2.861 27.055 ( 2.672 -3.034 -0.614) 4.089 27.550 ( -10.632 1.172 10.933) 15.296 27.589 ( -10.116 -2.472 8.720) 13.582 28.177 ( 3.110 2.886 -17.211) 17.726 28.231 ( 3.123 -2.469 -18.179) 18.610 28.758 ( -12.110 4.871 13.994) 19.137 28.874 ( -10.355 -6.617 16.435) 20.521 29.605 ( 7.707 5.037 -5.400) 10.674 29.691 ( 9.514 -2.923 -6.140) 11.694 ======================= Grid point 83 (47/78) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.006 16.839 17.006) 23.932 2.011 ( -1.661 3.115 0.867) 3.635 2.234 ( -4.625 0.644 -2.175) 5.151 2.284 ( 2.856 -5.026 4.098) 7.086 2.568 ( -14.785 13.226 -1.994) 19.937 2.796 ( 2.002 12.086 -6.134) 13.701 2.901 ( -3.370 -7.110 2.603) 8.288 3.109 ( -10.864 -15.599 -9.296) 21.161 3.378 ( -27.432 10.474 0.378) 29.366 3.564 ( -25.254 -5.111 3.329) 25.981 3.797 ( -7.655 7.099 -0.524) 10.453 3.865 ( -19.433 0.271 0.179) 19.435 4.007 ( -5.357 3.825 3.353) 7.388 4.148 ( -6.968 -6.009 2.833) 9.627 4.200 ( -16.622 14.879 4.515) 22.761 4.366 ( -7.798 4.688 -5.100) 10.431 4.405 ( -11.506 -4.507 -1.525) 12.451 4.606 ( -10.770 -12.012 2.805) 16.375 4.884 ( -7.586 7.319 -7.440) 12.902 4.999 ( -7.600 -1.607 -0.610) 7.792 5.250 ( -0.807 10.105 -3.152) 10.616 5.378 ( 0.124 -1.406 -2.189) 2.605 5.443 ( 7.492 4.588 4.414) 9.832 5.634 ( 8.182 -8.611 7.471) 14.032 5.660 ( -1.673 8.314 0.340) 8.487 5.940 ( 4.175 -12.818 -1.191) 13.533 6.089 ( -9.246 -0.817 5.227) 10.653 6.168 ( -5.445 -4.303 2.435) 7.355 6.284 ( 2.887 -0.833 1.343) 3.291 6.320 ( -0.618 -3.649 -0.403) 3.722 6.712 ( -5.962 5.909 5.588) 10.084 6.823 ( -5.785 -5.286 6.333) 10.076 7.049 ( -14.739 4.546 0.942) 15.453 7.187 ( -13.868 -4.062 -2.210) 14.618 7.315 ( -3.843 3.177 -1.784) 5.295 7.436 ( -6.839 -6.989 -7.330) 12.221 7.590 ( -1.842 6.575 -4.841) 8.370 7.713 ( 1.323 -5.067 -5.941) 7.920 7.893 ( 6.452 3.627 -7.334) 10.420 7.939 ( -4.540 7.038 6.817) 10.799 8.013 ( -1.211 -7.637 -7.832) 11.006 8.037 ( 4.649 0.695 -7.232) 8.626 8.398 ( -11.458 3.889 6.122) 13.560 8.496 ( -10.197 -4.898 2.599) 11.607 8.919 ( 4.311 7.992 13.194) 16.017 9.080 ( 4.283 -6.551 7.882) 11.108 9.346 ( 4.537 3.534 -9.002) 10.682 9.504 ( 9.094 -0.317 -0.156) 9.101 9.546 ( -3.641 -6.615 -2.165) 7.855 9.624 ( 2.009 -4.155 -1.251) 4.781 10.001 ( 2.505 -4.641 -3.189) 6.163 10.026 ( 5.522 -4.666 -8.587) 11.225 10.246 ( 1.620 7.502 6.569) 10.102 10.300 ( -8.416 3.685 7.730) 12.007 10.490 ( -4.889 1.313 -7.923) 9.403 10.567 ( -4.667 -2.283 -3.270) 6.138 10.737 ( -5.742 1.579 0.735) 6.001 10.823 ( -0.295 -2.893 3.830) 4.809 11.016 ( 2.257 0.714 -0.624) 2.448 11.092 ( 0.155 -7.377 -8.045) 10.916 11.245 ( 2.530 0.321 1.135) 2.792 11.298 ( 0.100 -4.836 3.295) 5.853 11.751 ( 7.695 3.867 7.829) 11.639 11.768 ( 7.631 1.403 5.223) 9.353 11.965 ( -4.514 7.726 5.823) 10.676 12.012 ( -3.968 2.223 1.665) 4.843 12.107 ( 0.955 -2.057 0.284) 2.285 12.154 ( -7.034 -1.960 6.421) 9.724 12.379 ( -2.111 3.194 -1.813) 4.236 12.504 ( -3.928 -2.862 -10.617) 11.676 12.725 ( -2.121 -3.336 -6.800) 7.865 12.798 ( -0.122 -5.779 -8.577) 10.343 12.908 ( -4.451 -1.019 5.714) 7.314 12.930 ( -7.978 -1.912 1.260) 8.300 13.440 ( 0.583 10.556 1.563) 10.687 13.639 ( -0.657 -7.221 0.024) 7.251 13.866 ( -5.840 3.297 -1.764) 6.934 13.920 ( -6.904 -4.017 -5.427) 9.657 13.995 ( 1.329 17.945 2.171) 18.125 14.347 ( 0.413 -11.477 4.416) 12.305 14.605 ( 0.356 22.513 -4.370) 22.936 14.811 ( 10.083 3.382 -4.569) 11.575 14.892 ( 10.024 4.090 1.812) 10.977 15.243 ( 1.343 -2.325 3.907) 4.741 15.436 ( 5.116 -5.267 -1.175) 7.436 15.471 ( 5.763 -10.267 -3.374) 12.248 15.597 ( 3.149 -1.491 1.391) 3.752 15.717 ( 7.503 -13.085 -1.614) 15.170 15.848 ( -3.924 2.783 7.603) 8.998 15.930 ( -2.932 -6.460 6.632) 9.711 16.516 ( -9.011 4.150 -3.818) 10.630 16.579 ( -8.204 -1.800 -5.688) 10.144 16.639 ( 15.747 1.798 -0.320) 15.853 16.707 ( 12.069 -4.789 -1.369) 13.056 18.164 ( 21.645 17.717 1.833) 28.031 18.458 ( 23.823 -11.414 2.387) 26.523 20.026 ( 0.723 3.323 -0.883) 3.514 20.088 ( 2.345 -1.971 -2.016) 3.667 20.181 ( 0.962 -0.235 0.681) 1.202 20.213 ( -1.987 -2.596 -0.855) 3.379 20.525 ( 2.022 2.495 1.781) 3.673 20.550 ( 1.911 -0.092 1.497) 2.429 20.730 ( -2.446 2.538 -3.945) 5.290 20.770 ( -2.656 -0.973 -2.687) 3.901 20.812 ( 1.477 5.266 2.707) 6.103 20.946 ( 2.061 -7.634 4.817) 9.259 21.187 ( 0.976 1.543 2.751) 3.302 21.206 ( 1.863 1.004 5.420) 5.819 21.390 ( 6.721 2.581 -2.357) 7.575 21.464 ( 7.906 -3.693 -0.982) 8.781 21.634 ( 1.851 1.864 -1.080) 2.840 21.651 ( 6.305 0.816 0.822) 6.411 21.820 ( -1.305 1.418 0.784) 2.081 21.855 ( -0.411 -1.174 1.647) 2.064 22.050 ( 10.443 7.507 -4.198) 13.529 22.154 ( 6.448 -1.387 -2.814) 7.171 22.195 ( 9.834 8.755 5.059) 14.105 22.335 ( 10.972 0.097 5.517) 12.281 22.403 ( 8.168 -4.066 -3.328) 9.712 22.506 ( 5.781 -6.896 -3.733) 9.743 23.072 ( -4.973 1.060 -4.376) 6.708 23.108 ( -6.453 -2.507 -8.345) 10.842 23.463 ( -11.929 2.745 0.980) 12.280 23.517 ( -10.555 -2.020 2.525) 11.039 23.960 ( -18.494 11.200 -0.969) 21.642 24.196 ( -14.810 -11.216 0.073) 18.578 24.572 ( -4.421 1.496 1.295) 4.843 24.587 ( -6.083 0.371 4.653) 7.667 24.679 ( -7.523 0.383 -1.361) 7.654 24.734 ( -4.880 -5.228 -9.072) 11.552 25.080 ( -1.511 1.762 2.044) 3.093 25.110 ( -1.700 -1.051 1.019) 2.244 25.334 ( -6.163 5.886 4.825) 9.793 25.477 ( -7.410 -8.167 6.222) 12.662 25.664 ( -2.014 3.815 -1.836) 4.688 25.761 ( -0.189 -4.612 -1.741) 4.933 26.060 ( -2.852 6.313 0.316) 6.935 26.111 ( -1.653 1.128 0.400) 2.041 26.129 ( 1.494 3.753 -0.868) 4.131 26.239 ( 0.778 4.136 -2.607) 4.950 26.268 ( -0.756 -0.585 2.508) 2.684 26.410 ( 2.997 -2.801 -2.085) 4.602 26.518 ( 1.852 3.121 -2.306) 4.300 26.688 ( 0.673 -11.187 -0.732) 11.231 26.803 ( 1.670 2.317 3.241) 4.320 26.882 ( 1.198 -4.837 3.242) 5.945 26.996 ( 1.314 2.324 -4.077) 4.873 27.064 ( 0.488 -4.174 -3.328) 5.360 27.440 ( -12.808 0.616 8.120) 15.178 27.470 ( -12.642 -2.185 7.765) 14.997 28.051 ( 3.894 2.258 -21.038) 21.514 28.084 ( 3.910 -1.152 -22.346) 22.715 28.712 ( -11.854 6.544 19.067) 23.386 28.868 ( -11.673 -9.317 21.395) 26.093 29.708 ( 9.080 6.612 -4.098) 11.956 29.828 ( 11.657 -4.508 -4.068) 13.144 ======================= Grid point 84 (48/78) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -5.719 17.249 -1.309) 18.219 1.995 ( -8.045 28.470 6.690) 30.332 2.095 ( -0.822 -5.792 -5.054) 7.731 2.223 ( -13.485 21.921 6.480) 26.540 2.490 ( -4.343 -18.338 5.839) 19.729 2.656 ( -8.170 7.283 3.739) 11.566 2.802 ( -18.379 -9.218 -1.873) 20.646 2.981 ( 1.066 3.112 11.263) 11.733 3.132 ( -5.943 11.758 10.354) 16.756 3.224 ( -12.931 -8.513 9.895) 18.374 3.620 ( -7.133 9.773 -4.137) 12.787 3.703 ( -0.743 0.612 -3.046) 3.194 3.926 ( -6.402 10.905 -3.843) 13.216 3.962 ( -14.247 6.460 -0.040) 15.643 4.060 ( -3.110 -5.508 4.236) 7.613 4.107 ( -14.401 -6.323 -2.553) 15.933 4.331 ( -5.658 -5.224 8.711) 11.627 4.462 ( -6.480 -10.539 1.746) 12.494 4.761 ( -0.650 5.635 -3.127) 6.477 4.870 ( -7.964 -3.529 3.946) 9.564 5.249 ( 2.036 10.376 -2.374) 10.837 5.361 ( 2.844 -1.526 -6.198) 6.988 5.600 ( 4.082 9.453 3.354) 10.829 5.662 ( 1.371 4.934 1.163) 5.251 5.821 ( 5.228 -6.674 3.638) 9.226 5.956 ( -2.231 -13.922 -3.113) 14.440 5.999 ( -4.653 0.845 7.112) 8.541 6.065 ( -1.807 -3.967 -3.453) 5.561 6.239 ( -5.324 -1.732 -1.287) 5.744 6.331 ( -1.047 -8.327 -3.081) 8.940 6.639 ( -7.970 2.169 7.178) 10.943 6.719 ( -12.159 -4.295 6.409) 14.400 6.834 ( -16.857 2.603 -2.973) 17.314 6.871 ( -10.159 -1.282 2.675) 10.583 7.318 ( 2.663 7.762 0.457) 8.218 7.378 ( 2.722 0.423 -0.414) 2.785 7.520 ( -1.347 0.407 -0.537) 1.506 7.696 ( 3.771 -11.722 -3.838) 12.898 7.887 ( -0.809 -0.068 -0.355) 0.886 7.944 ( 2.910 -4.626 -6.466) 8.466 7.978 ( 2.369 11.512 -0.136) 11.754 8.107 ( 9.006 1.702 -7.468) 11.823 8.346 ( -1.001 0.438 3.454) 3.623 8.435 ( -0.364 -3.278 -1.560) 3.649 9.012 ( -2.115 3.971 3.031) 5.425 9.113 ( -1.921 -2.247 -3.194) 4.352 9.373 ( 6.627 1.406 -6.325) 9.269 9.447 ( -3.757 -5.482 -4.404) 7.973 9.623 ( 3.780 6.038 -1.034) 7.198 9.708 ( 6.745 -0.553 -1.069) 6.852 10.002 ( 0.000 0.378 -8.013) 8.022 10.027 ( 6.256 -4.643 -3.169) 8.411 10.225 ( -5.200 -0.305 -3.914) 6.515 10.265 ( -7.150 -2.805 -5.521) 9.459 10.356 ( 0.256 5.558 3.886) 6.786 10.541 ( -1.514 -11.020 0.931) 11.162 10.618 ( -1.512 10.956 -2.483) 11.335 10.823 ( -3.803 -7.255 3.298) 8.830 11.026 ( 2.587 1.671 -0.775) 3.176 11.111 ( 5.403 -7.394 -1.249) 9.243 11.226 ( -3.412 -0.305 -0.263) 3.436 11.295 ( -2.587 -6.663 -0.136) 7.149 11.872 ( -2.483 7.911 2.398) 8.631 11.921 ( 0.560 1.898 3.245) 3.801 12.002 ( -3.606 4.186 2.151) 5.929 12.015 ( 1.755 4.898 7.703) 9.295 12.104 ( 3.744 -3.046 7.684) 9.074 12.159 ( -5.326 -3.615 10.716) 12.500 12.342 ( -1.946 -1.071 -7.982) 8.285 12.406 ( 3.818 -6.359 4.825) 8.848 12.584 ( -3.850 2.070 -12.320) 13.072 12.635 ( -2.741 -0.883 -11.882) 12.226 12.902 ( -1.191 3.561 11.222) 11.833 13.022 ( 3.630 -8.056 12.756) 15.517 13.473 ( 1.491 9.226 -1.977) 9.552 13.594 ( -3.063 0.356 -3.432) 4.614 13.740 ( -5.908 3.791 -0.209) 7.023 13.790 ( -1.392 -5.671 -3.106) 6.614 14.029 ( 0.375 13.623 0.233) 13.630 14.348 ( -1.614 -12.139 -1.906) 12.394 14.579 ( 2.036 26.477 -4.330) 26.906 14.924 ( 9.799 -4.184 -5.455) 11.970 15.087 ( 8.040 5.802 1.729) 10.064 15.315 ( 1.277 -6.249 5.214) 8.238 15.441 ( -2.740 -3.224 -2.259) 4.796 15.520 ( 2.990 -11.734 -4.024) 12.760 15.656 ( 3.621 3.007 1.454) 4.926 15.773 ( -0.914 -3.703 -0.649) 3.869 15.843 ( -4.274 2.995 5.885) 7.866 15.995 ( 3.267 -15.589 4.899) 16.664 16.351 ( -4.606 3.976 -3.449) 6.995 16.406 ( -5.022 -1.631 -4.794) 7.132 16.920 ( 8.985 -0.235 7.626) 11.787 16.927 ( 10.921 -0.861 11.115) 15.606 18.425 ( 11.195 18.963 -6.928) 23.085 18.744 ( 11.467 -12.603 -6.250) 18.150 20.038 ( 0.396 3.663 1.290) 3.904 20.112 ( 0.499 -3.183 2.347) 3.986 20.135 ( -4.294 0.786 1.456) 4.602 20.178 ( -2.030 -3.438 0.679) 4.050 20.590 ( 3.376 2.844 -1.304) 4.603 20.619 ( 4.125 0.779 1.704) 4.531 20.683 ( 0.722 2.354 -3.549) 4.319 20.739 ( 2.879 -2.358 -3.912) 5.399 20.862 ( -0.255 5.879 3.029) 6.618 20.994 ( -1.396 -5.950 1.539) 6.303 21.194 ( -1.658 0.220 0.200) 1.685 21.239 ( -1.963 -3.045 0.559) 3.665 21.486 ( 7.119 4.383 -2.661) 8.774 21.563 ( 4.689 -3.648 -1.691) 6.177 21.636 ( 1.372 3.024 -2.627) 4.234 21.717 ( 2.238 -4.002 -3.137) 5.556 21.818 ( -0.395 2.745 1.985) 3.410 21.878 ( 1.365 -2.193 1.519) 2.996 22.136 ( 6.587 9.910 -8.989) 14.914 22.252 ( 8.630 -2.460 -6.113) 10.858 22.414 ( 8.105 7.377 -2.044) 11.148 22.468 ( 9.960 3.321 -10.487) 14.839 22.636 ( 16.571 -0.357 6.419) 17.774 22.714 ( 17.492 -4.781 4.625) 18.714 22.922 ( -4.787 2.994 -4.445) 7.186 23.001 ( -0.145 -4.309 -1.012) 4.429 23.235 ( -13.875 1.683 0.571) 13.988 23.298 ( -17.382 -4.437 3.030) 18.194 23.644 ( -18.390 10.676 3.891) 21.617 23.889 ( -23.251 -13.873 7.096) 27.989 24.492 ( -8.248 3.642 4.090) 9.900 24.551 ( -1.578 2.108 -1.921) 3.259 24.566 ( -4.112 -2.093 3.536) 5.813 24.634 ( 0.191 -4.959 1.011) 5.064 25.070 ( -1.658 0.822 1.158) 2.183 25.078 ( -2.252 0.356 0.548) 2.345 25.278 ( -4.795 5.387 3.101) 7.851 25.407 ( -7.130 -7.552 5.294) 11.658 25.619 ( -0.407 5.034 -3.515) 6.153 25.747 ( 0.587 -6.705 -2.070) 7.042 26.032 ( -1.274 7.621 1.326) 7.839 26.115 ( -0.022 -0.671 2.611) 2.696 26.158 ( 0.519 3.131 1.596) 3.552 26.218 ( 0.260 12.928 -1.993) 13.084 26.300 ( 0.304 -7.358 1.786) 7.578 26.467 ( 6.209 -5.962 -1.439) 8.728 26.551 ( 3.869 3.453 -2.728) 5.860 26.656 ( -2.154 -7.080 -1.397) 7.531 26.847 ( -0.380 1.952 2.734) 3.380 26.896 ( -1.939 -2.571 1.363) 3.497 26.975 ( 0.218 1.182 -4.293) 4.458 27.035 ( 1.892 -3.500 -4.270) 5.837 27.292 ( -10.304 -0.243 3.574) 10.909 27.321 ( -11.046 -3.461 3.274) 12.030 27.912 ( 5.795 5.397 -21.677) 23.078 27.988 ( 7.284 -2.202 -17.887) 19.438 28.724 ( -10.228 7.284 21.991) 25.324 28.895 ( -11.799 -10.390 25.689) 30.118 29.805 ( 6.658 7.978 -4.549) 11.343 29.969 ( 8.833 -7.583 -4.816) 12.598 ======================= Grid point 105 (49/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -1.962 0.000 27.153) 27.224 1.670 ( 1.623 0.000 22.757) 22.815 2.106 ( -8.022 0.000 0.494) 8.037 2.171 ( -2.852 0.000 0.407) 2.880 2.385 ( 2.725 0.000 12.371) 12.668 2.695 ( -12.632 0.000 8.192) 15.056 2.701 ( 4.292 0.000 -17.717) 18.229 2.886 ( 14.533 0.000 -10.006) 17.644 2.995 ( 0.103 0.000 7.986) 7.986 3.255 ( 4.199 0.000 -7.467) 8.567 3.546 ( 1.985 0.000 35.162) 35.218 3.613 ( -2.580 0.000 0.848) 2.716 3.737 ( -1.520 0.000 32.138) 32.174 3.825 ( 1.760 0.000 -3.770) 4.161 3.941 ( -4.161 0.000 -9.102) 10.008 4.184 ( 2.469 0.000 10.232) 10.526 4.263 ( 0.227 0.000 -9.092) 9.095 4.920 ( -0.399 0.000 -40.454) 40.456 4.945 ( -0.755 0.000 10.372) 10.399 5.015 ( 7.658 0.000 6.960) 10.348 5.114 ( 5.022 0.000 17.741) 18.438 5.116 ( -5.002 0.000 -4.573) 6.777 5.196 ( -5.329 0.000 1.869) 5.647 5.660 ( -4.806 0.000 -30.516) 30.892 5.762 ( 0.597 0.000 4.539) 4.578 5.800 ( -8.325 0.000 -3.744) 9.128 6.068 ( 11.437 0.000 5.161) 12.547 6.187 ( -3.413 0.000 -4.227) 5.433 6.261 ( -8.513 0.000 -3.158) 9.080 6.288 ( 7.190 0.000 -8.407) 11.062 6.684 ( 2.024 0.000 18.596) 18.706 6.836 ( -0.926 0.000 7.988) 8.041 6.915 ( -4.040 0.000 -3.063) 5.070 6.938 ( 0.573 0.000 22.374) 22.382 7.162 ( 6.779 0.000 -26.426) 27.282 7.236 ( -14.929 0.000 10.019) 17.979 7.378 ( 8.688 0.000 -9.054) 12.548 7.561 ( 3.200 0.000 -32.244) 32.402 7.823 ( -3.228 0.000 22.016) 22.252 8.065 ( -2.770 0.000 14.037) 14.308 8.218 ( 1.735 0.000 -13.180) 13.294 8.322 ( 0.839 0.000 -14.561) 14.585 8.480 ( 7.274 0.000 24.786) 25.832 8.590 ( 1.025 0.000 22.713) 22.736 8.903 ( -1.379 0.000 11.809) 11.889 8.936 ( 3.079 0.000 -21.110) 21.334 9.016 ( -1.374 0.000 -21.174) 21.218 9.259 ( -12.677 0.000 -20.594) 24.183 9.429 ( 3.659 0.000 -2.254) 4.297 9.462 ( 0.601 0.000 -2.382) 2.456 9.881 ( 6.765 0.000 19.835) 20.956 10.080 ( -3.456 0.000 -0.455) 3.486 10.288 ( 3.589 0.000 1.196) 3.782 10.382 ( -3.553 0.000 -1.676) 3.928 10.468 ( -5.288 0.000 -2.306) 5.769 10.566 ( 2.310 0.000 -16.347) 16.509 10.799 ( 6.581 0.000 5.432) 8.534 10.854 ( 0.585 0.000 -0.803) 0.993 11.050 ( 2.538 0.000 -0.751) 2.647 11.123 ( -9.384 0.000 -6.590) 11.467 11.393 ( -6.538 0.000 6.735) 9.387 11.414 ( 11.239 0.000 6.496) 12.981 11.673 ( -18.293 0.000 3.117) 18.556 11.798 ( 8.540 0.000 -7.463) 11.342 11.922 ( 0.872 0.000 7.271) 7.323 12.175 ( -2.093 0.000 6.895) 7.205 12.206 ( 0.377 0.000 -17.766) 17.770 12.289 ( 2.312 0.000 -4.589) 5.138 12.457 ( -3.056 0.000 5.569) 6.352 12.509 ( 5.614 0.000 0.972) 5.698 12.666 ( 8.839 0.000 7.775) 11.772 12.830 ( -8.817 0.000 -7.568) 11.619 12.879 ( -6.310 0.000 14.330) 15.658 13.081 ( 5.472 0.000 -4.400) 7.021 13.255 ( 3.354 0.000 14.102) 14.495 13.501 ( -1.083 0.000 -5.332) 5.441 13.708 ( 7.953 0.000 -2.425) 8.315 13.718 ( -6.871 0.000 -6.751) 9.633 13.981 ( -5.732 0.000 9.630) 11.207 14.083 ( 0.372 0.000 -4.537) 4.552 14.118 ( 2.940 0.000 4.011) 4.974 14.401 ( 2.577 0.000 -19.875) 20.041 15.344 ( 7.297 0.000 4.903) 8.791 15.446 ( -7.622 0.000 -4.497) 8.849 15.584 ( 5.735 0.000 5.826) 8.175 15.698 ( -4.565 0.000 -3.929) 6.023 15.732 ( -8.572 0.000 4.253) 9.569 15.776 ( 3.529 0.000 -1.617) 3.881 16.070 ( 2.376 0.000 3.472) 4.207 16.175 ( 0.206 0.000 -6.837) 6.841 16.567 ( 1.549 0.000 29.900) 29.940 17.040 ( 1.669 0.000 1.192) 2.051 17.042 ( -1.147 0.000 0.955) 1.493 17.143 ( -0.401 0.000 -27.844) 27.847 17.905 ( 5.525 0.000 34.979) 35.412 18.548 ( -6.248 0.000 -29.288) 29.947 20.052 ( 2.809 0.000 5.901) 6.536 20.173 ( -0.414 0.000 -6.062) 6.076 20.201 ( -5.303 0.000 8.571) 10.079 20.361 ( 3.048 0.000 -6.949) 7.588 20.461 ( 2.247 0.000 1.118) 2.510 20.490 ( -5.745 0.000 -2.494) 6.263 20.580 ( -2.867 0.000 9.600) 10.019 20.726 ( 8.537 0.000 -4.236) 9.530 20.803 ( -1.495 0.000 1.917) 2.431 20.891 ( -0.866 0.000 -5.998) 6.060 21.019 ( 0.049 0.000 5.144) 5.144 21.148 ( 0.704 0.000 -9.584) 9.610 21.442 ( -0.312 0.000 -1.027) 1.073 21.463 ( -2.257 0.000 -3.654) 4.295 21.650 ( 2.423 0.000 2.394) 3.406 21.703 ( -2.291 0.000 -2.556) 3.433 21.795 ( -4.070 0.000 7.666) 8.679 21.799 ( -1.712 0.000 3.395) 3.802 21.889 ( 2.716 0.000 -5.330) 5.982 21.922 ( 7.933 0.000 -4.216) 8.984 22.318 ( -6.006 0.000 -1.919) 6.305 22.323 ( 5.642 0.000 -2.999) 6.389 22.880 ( 4.899 0.000 1.623) 5.161 22.884 ( -4.430 0.000 0.651) 4.478 23.087 ( -4.516 0.000 2.843) 5.336 23.097 ( 1.836 0.000 1.947) 2.677 23.304 ( -12.444 0.000 1.724) 12.563 23.331 ( 17.462 0.000 -1.720) 17.546 23.528 ( 2.759 0.000 17.611) 17.826 23.870 ( -3.942 0.000 -15.207) 15.710 24.508 ( -0.181 0.000 3.630) 3.634 24.565 ( -1.443 0.000 -1.912) 2.395 24.682 ( 2.304 0.000 6.455) 6.853 24.806 ( -3.338 0.000 -6.562) 7.362 25.084 ( 0.523 0.000 1.059) 1.181 25.105 ( 0.044 0.000 -0.932) 0.933 25.249 ( 5.861 0.000 3.140) 6.649 25.339 ( -0.713 0.000 -6.032) 6.074 25.752 ( 1.063 0.000 0.662) 1.252 25.766 ( -1.036 0.000 -0.824) 1.324 26.024 ( -2.281 0.000 1.692) 2.840 26.053 ( 1.086 0.000 -0.616) 1.248 26.217 ( 2.464 0.000 3.160) 4.007 26.292 ( -0.859 0.000 -3.648) 3.748 26.380 ( -4.474 0.000 9.745) 10.723 26.578 ( 4.334 0.000 -9.048) 10.032 26.627 ( -4.237 0.000 3.819) 5.703 26.653 ( 10.037 0.000 4.398) 10.958 26.705 ( -2.275 0.000 -4.099) 4.688 26.755 ( -8.620 0.000 -6.166) 10.598 26.967 ( -8.669 0.000 3.364) 9.299 27.003 ( 10.099 0.000 -0.469) 10.110 27.206 ( 11.849 0.000 1.614) 11.958 27.234 ( -7.933 0.000 -1.132) 8.014 27.741 ( -6.652 0.000 4.310) 7.926 27.842 ( 8.713 0.000 -6.290) 10.746 28.976 ( -6.099 0.000 19.462) 20.396 29.325 ( 4.409 0.000 -15.898) 16.498 29.941 ( 8.709 0.000 1.009) 8.767 29.961 ( -15.011 0.000 -1.144) 15.054 ======================= Grid point 106 (50/78) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.804 0.000 8.127) 8.325 1.791 ( 4.744 0.000 -5.374) 7.168 2.236 ( 9.472 0.000 4.832) 10.634 2.355 ( 20.904 0.000 4.238) 21.329 2.517 ( -7.096 0.000 15.167) 16.745 2.599 ( 3.575 0.000 6.668) 7.566 2.688 ( 18.794 0.000 -18.010) 26.030 3.028 ( 9.091 0.000 -12.395) 15.371 3.211 ( 8.287 0.000 -16.068) 18.079 3.238 ( 17.800 0.000 12.520) 21.762 3.597 ( -2.822 0.000 -6.004) 6.634 3.673 ( 3.228 0.000 1.588) 3.598 3.813 ( 0.366 0.000 -3.051) 3.072 3.974 ( 8.887 0.000 6.834) 11.211 4.129 ( 2.392 0.000 18.108) 18.265 4.205 ( 1.324 0.000 -4.230) 4.432 4.543 ( 17.238 0.000 -55.264) 57.890 4.614 ( 17.467 0.000 41.938) 45.430 4.908 ( -9.853 0.000 -0.501) 9.866 4.994 ( -4.009 0.000 -6.584) 7.708 5.115 ( -0.829 0.000 8.228) 8.269 5.150 ( 0.412 0.000 0.757) 0.862 5.370 ( 1.184 0.000 -21.677) 21.709 5.500 ( 9.679 0.000 25.789) 27.546 5.689 ( -3.826 0.000 6.697) 7.712 5.845 ( 0.959 0.000 6.670) 6.739 6.023 ( -4.734 0.000 -8.944) 10.120 6.110 ( -4.779 0.000 -2.975) 5.630 6.392 ( 17.662 0.000 7.850) 19.328 6.527 ( 19.659 0.000 -6.892) 20.833 6.762 ( -7.395 0.000 17.425) 18.930 6.772 ( -7.641 0.000 -17.723) 19.300 7.026 ( 11.882 0.000 -14.250) 18.555 7.052 ( -7.772 0.000 14.181) 16.172 7.096 ( 9.747 0.000 6.066) 11.480 7.197 ( -1.955 0.000 26.325) 26.397 7.260 ( 3.493 0.000 -29.149) 29.357 7.504 ( 7.053 0.000 -7.205) 10.083 7.933 ( -9.142 0.000 25.004) 26.623 7.970 ( -7.854 0.000 -19.336) 20.870 8.139 ( -3.257 0.000 13.150) 13.547 8.234 ( 0.972 0.000 -11.940) 11.979 8.578 ( -11.148 0.000 -23.395) 25.915 8.672 ( -7.873 0.000 9.722) 12.510 8.857 ( 5.014 0.000 25.790) 26.273 8.892 ( 7.124 0.000 -23.772) 24.817 8.968 ( -0.888 0.000 -13.800) 13.829 9.088 ( 3.444 0.000 24.900) 25.137 9.561 ( 8.343 0.000 2.401) 8.681 9.569 ( 9.525 0.000 -1.905) 9.714 10.001 ( 1.662 0.000 -14.505) 14.600 10.166 ( 12.290 0.000 3.486) 12.775 10.312 ( -9.309 0.000 11.596) 14.870 10.337 ( 5.839 0.000 -6.702) 8.889 10.506 ( 10.764 0.000 3.447) 11.302 10.552 ( 3.244 0.000 1.548) 3.595 10.752 ( -6.137 0.000 -5.997) 8.581 10.824 ( -4.533 0.000 -3.416) 5.676 10.967 ( -5.060 0.000 -3.212) 5.994 11.242 ( 11.869 0.000 8.361) 14.519 11.349 ( -1.239 0.000 -1.561) 1.993 11.408 ( -11.272 0.000 6.800) 13.165 11.659 ( 5.629 0.000 3.715) 6.744 11.914 ( -10.185 0.000 -9.352) 13.827 11.917 ( 6.034 0.000 5.417) 8.109 11.958 ( -4.838 0.000 6.323) 7.961 12.262 ( -0.326 0.000 -6.047) 6.055 12.296 ( 3.777 0.000 3.064) 4.864 12.462 ( -4.537 0.000 -7.532) 8.793 12.485 ( 0.737 0.000 3.165) 3.250 12.730 ( 3.808 0.000 -6.864) 7.849 12.879 ( -4.849 0.000 6.937) 8.464 12.892 ( 7.117 0.000 8.991) 11.467 13.066 ( 1.283 0.000 -6.844) 6.963 13.345 ( -3.054 0.000 -14.724) 15.038 13.454 ( 2.811 0.000 13.864) 14.146 13.590 ( -2.842 0.000 -4.553) 5.367 13.803 ( 5.157 0.000 -0.036) 5.157 13.990 ( -4.255 0.000 13.601) 14.251 14.049 ( 0.328 0.000 -3.716) 3.730 14.231 ( 2.555 0.000 7.004) 7.455 14.233 ( -1.752 0.000 -16.253) 16.347 15.284 ( -3.667 0.000 -5.208) 6.370 15.488 ( 1.469 0.000 6.771) 6.928 15.537 ( -5.386 0.000 -9.138) 10.607 15.610 ( -11.296 0.000 5.186) 12.430 15.714 ( 1.873 0.000 5.151) 5.481 15.863 ( 5.742 0.000 2.059) 6.100 16.151 ( 4.478 0.000 -7.031) 8.336 16.209 ( 8.989 0.000 4.571) 10.085 16.774 ( -9.396 0.000 -29.919) 31.359 16.790 ( -8.229 0.000 27.415) 28.623 16.997 ( -4.093 0.000 -0.018) 4.093 17.044 ( -1.804 0.000 -0.288) 1.827 18.040 ( -16.619 0.000 -32.405) 36.418 18.228 ( -7.973 0.000 33.452) 34.389 20.077 ( -2.142 0.000 -6.837) 7.165 20.108 ( -3.101 0.000 4.568) 5.521 20.229 ( -1.524 0.000 6.897) 7.063 20.366 ( 2.922 0.000 -3.259) 4.377 20.381 ( -4.057 0.000 -2.111) 4.574 20.474 ( -3.383 0.000 4.696) 5.787 20.641 ( 3.608 0.000 1.264) 3.823 20.758 ( 1.713 0.000 -9.319) 9.476 20.838 ( -0.485 0.000 -2.543) 2.589 20.848 ( 1.829 0.000 6.527) 6.779 21.071 ( -0.265 0.000 6.625) 6.630 21.091 ( 2.638 0.000 -7.202) 7.670 21.404 ( -2.737 0.000 1.068) 2.938 21.430 ( -2.071 0.000 3.570) 4.127 21.649 ( -1.174 0.000 -1.928) 2.257 21.697 ( -7.927 0.000 0.364) 7.935 21.752 ( 3.243 0.000 3.216) 4.567 21.773 ( -3.802 0.000 1.099) 3.958 21.919 ( 4.249 0.000 -2.043) 4.715 21.980 ( 6.192 0.000 -8.647) 10.635 22.140 ( -11.602 0.000 1.284) 11.673 22.307 ( -5.314 0.000 0.015) 5.314 22.816 ( -6.421 0.000 0.368) 6.431 22.966 ( -10.169 0.000 0.386) 10.177 23.039 ( 4.970 0.000 2.675) 5.644 23.068 ( 1.856 0.000 -3.989) 4.400 23.297 ( 11.472 0.000 -5.905) 12.902 23.522 ( 0.861 0.000 -1.713) 1.917 23.803 ( 18.946 0.000 -14.135) 23.638 23.810 ( 8.027 0.000 19.013) 20.638 24.525 ( -1.059 0.000 -2.105) 2.356 24.558 ( 1.212 0.000 4.709) 4.863 24.716 ( -0.237 0.000 -5.172) 5.178 24.813 ( 5.286 0.000 6.873) 8.670 25.077 ( -1.943 0.000 -2.372) 3.067 25.082 ( -1.070 0.000 -0.233) 1.095 25.294 ( 3.958 0.000 -5.641) 6.891 25.331 ( 1.676 0.000 0.408) 1.725 25.708 ( -4.508 0.000 -0.051) 4.508 25.750 ( -1.636 0.000 0.563) 1.730 26.012 ( -0.761 0.000 2.115) 2.248 26.061 ( 0.856 0.000 -0.974) 1.297 26.236 ( -0.982 0.000 -4.355) 4.465 26.293 ( 2.926 0.000 3.171) 4.315 26.404 ( -3.688 0.000 8.673) 9.425 26.533 ( -3.680 0.000 -4.035) 5.461 26.578 ( 1.151 0.000 -11.827) 11.883 26.702 ( 3.536 0.000 6.885) 7.740 26.718 ( 4.877 0.000 0.791) 4.940 26.802 ( 0.688 0.000 4.434) 4.487 26.926 ( 3.431 0.000 1.805) 3.877 27.098 ( -2.132 0.000 -5.146) 5.570 27.209 ( 11.145 0.000 -0.103) 11.146 27.463 ( 18.230 0.000 -3.793) 18.620 27.646 ( -8.793 0.000 4.164) 9.729 27.915 ( 7.697 0.000 -7.476) 10.730 29.061 ( -5.988 0.000 18.655) 19.593 29.246 ( 4.871 0.000 -15.704) 16.442 29.686 ( -18.555 0.000 5.459) 19.341 30.053 ( 1.108 0.000 3.584) 3.751 ======================= Grid point 107 (51/78) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -4.703 0.000 -3.351) 5.774 1.882 ( 3.042 0.000 6.392) 7.079 2.288 ( 1.064 0.000 -15.155) 15.193 2.553 ( 17.410 0.000 9.018) 19.607 2.686 ( 7.037 0.000 -7.233) 10.092 2.883 ( 21.386 0.000 -25.172) 33.030 2.924 ( 10.500 0.000 14.564) 17.954 2.974 ( 1.184 0.000 -19.714) 19.750 3.305 ( 18.454 0.000 -4.657) 19.033 3.476 ( 7.281 0.000 -6.613) 9.836 3.674 ( 12.608 0.000 10.411) 16.350 3.812 ( 6.105 0.000 9.078) 10.940 3.913 ( 7.682 0.000 11.632) 13.940 4.196 ( 9.928 0.000 5.561) 11.380 4.260 ( 7.682 0.000 2.582) 8.104 4.262 ( 0.538 0.000 5.691) 5.717 4.537 ( 34.415 0.000 -40.752) 53.340 4.722 ( -7.126 0.000 -2.681) 7.614 4.855 ( -2.366 0.000 -10.055) 10.330 5.034 ( 0.948 0.000 11.459) 11.499 5.089 ( -1.922 0.000 -3.594) 4.076 5.226 ( 0.230 0.000 -14.950) 14.951 5.381 ( 9.499 0.000 18.495) 20.792 5.759 ( -4.775 0.000 2.570) 5.423 5.796 ( -2.779 0.000 12.646) 12.948 5.879 ( 1.909 0.000 -0.244) 1.924 5.941 ( 0.285 0.000 3.783) 3.793 6.120 ( 6.573 0.000 15.755) 17.071 6.350 ( -8.581 0.000 -17.509) 19.499 6.611 ( -10.325 0.000 22.878) 25.100 6.785 ( 11.502 0.000 -13.396) 17.656 6.922 ( -10.827 0.000 17.777) 20.814 7.009 ( 13.350 0.000 9.979) 16.668 7.052 ( 4.008 0.000 -19.513) 19.920 7.298 ( 19.454 0.000 -9.846) 21.803 7.352 ( 3.673 0.000 10.425) 11.053 7.416 ( -3.996 0.000 -6.935) 8.004 7.560 ( 20.989 0.000 15.117) 25.866 7.790 ( 9.168 0.000 -14.152) 16.862 8.034 ( -9.449 0.000 30.227) 31.669 8.152 ( -0.379 0.000 -11.227) 11.233 8.213 ( -2.587 0.000 11.989) 12.265 8.214 ( -2.775 0.000 -16.648) 16.878 8.622 ( -3.604 0.000 3.231) 4.840 8.807 ( 10.424 0.000 -25.973) 27.987 8.926 ( 10.506 0.000 -13.033) 16.740 9.168 ( 3.872 0.000 22.612) 22.942 9.234 ( -5.851 0.000 1.576) 6.060 9.665 ( 0.365 0.000 3.849) 3.867 9.720 ( 6.015 0.000 12.789) 14.133 9.933 ( 8.658 0.000 -15.362) 17.633 10.196 ( -9.169 0.000 8.293) 12.363 10.458 ( 12.071 0.000 2.582) 12.344 10.460 ( 11.661 0.000 -4.883) 12.642 10.548 ( -13.098 0.000 5.970) 14.394 10.576 ( -4.501 0.000 -10.454) 11.382 10.669 ( -5.184 0.000 -3.980) 6.536 10.791 ( 10.367 0.000 9.703) 14.199 10.936 ( 9.017 0.000 -5.043) 10.332 11.199 ( -9.206 0.000 4.987) 10.470 11.337 ( 3.845 0.000 -5.747) 6.915 11.525 ( -3.113 0.000 -7.405) 8.033 11.700 ( 9.426 0.000 5.563) 10.945 11.828 ( -1.448 0.000 6.060) 6.231 11.873 ( -7.825 0.000 4.594) 9.074 12.076 ( 0.153 0.000 6.404) 6.406 12.159 ( -9.110 0.000 -4.386) 10.111 12.168 ( -1.805 0.000 -7.051) 7.278 12.516 ( -2.628 0.000 7.121) 7.590 12.559 ( 11.328 0.000 -18.718) 21.879 12.666 ( -3.011 0.000 12.432) 12.791 12.907 ( -0.929 0.000 -13.813) 13.844 12.956 ( 11.154 0.000 -2.709) 11.478 13.069 ( 0.844 0.000 3.620) 3.718 13.309 ( 8.498 0.000 -2.258) 8.793 13.519 ( 0.180 0.000 -3.659) 3.663 13.596 ( 0.638 0.000 9.465) 9.487 13.881 ( 0.724 0.000 2.229) 2.343 14.033 ( 1.567 0.000 -2.392) 2.860 14.059 ( -1.958 0.000 -7.982) 8.219 14.149 ( 7.079 0.000 9.001) 11.451 14.322 ( -1.049 0.000 15.630) 15.665 15.222 ( 2.339 0.000 -6.898) 7.284 15.315 ( -9.234 0.000 -11.058) 14.406 15.444 ( -13.447 0.000 4.714) 14.250 15.519 ( -2.643 0.000 0.959) 2.812 15.761 ( -1.852 0.000 4.858) 5.199 15.941 ( 1.230 0.000 -4.378) 4.547 16.201 ( 3.527 0.000 -8.056) 8.794 16.340 ( -4.817 0.000 -16.144) 16.847 16.410 ( 6.613 0.000 5.841) 8.823 16.797 ( -13.317 0.000 13.698) 19.104 16.939 ( -7.212 0.000 7.661) 10.521 16.974 ( -4.894 0.000 -3.221) 5.859 17.428 ( -19.439 0.000 -27.386) 33.584 18.246 ( -23.005 0.000 24.930) 33.923 19.997 ( -1.051 0.000 -3.953) 4.090 20.055 ( -6.767 0.000 1.988) 7.053 20.234 ( -3.356 0.000 5.238) 6.221 20.306 ( -4.259 0.000 1.929) 4.676 20.401 ( 4.002 0.000 -2.472) 4.704 20.468 ( -1.322 0.000 2.781) 3.079 20.677 ( -1.039 0.000 -6.209) 6.295 20.714 ( 2.318 0.000 0.340) 2.343 20.751 ( -6.556 0.000 -3.281) 7.331 20.937 ( 0.565 0.000 6.822) 6.845 21.102 ( 5.280 0.000 -5.176) 7.394 21.127 ( -1.931 0.000 5.330) 5.669 21.408 ( 0.490 0.000 3.826) 3.858 21.445 ( -2.711 0.000 5.328) 5.978 21.543 ( -6.266 0.000 2.798) 6.863 21.632 ( 0.029 0.000 0.358) 0.359 21.711 ( -1.670 0.000 -3.347) 3.741 21.860 ( 3.653 0.000 0.853) 3.751 21.955 ( 2.036 0.000 -11.448) 11.627 21.973 ( 5.292 0.000 -3.582) 6.391 22.024 ( -6.317 0.000 8.562) 10.640 22.199 ( -6.694 0.000 0.565) 6.718 22.651 ( -10.216 0.000 -3.974) 10.962 22.721 ( -14.988 0.000 -0.497) 14.997 23.061 ( 4.299 0.000 -6.284) 7.614 23.171 ( 6.285 0.000 -0.022) 6.285 23.446 ( -3.575 0.000 -3.453) 4.971 23.484 ( 13.301 0.000 -2.131) 13.471 24.091 ( 23.031 0.000 -8.530) 24.560 24.127 ( 9.797 0.000 14.344) 17.370 24.495 ( -0.580 0.000 -0.631) 0.857 24.638 ( 2.736 0.000 4.806) 5.530 24.701 ( 2.220 0.000 -2.377) 3.252 24.969 ( 5.087 0.000 4.498) 6.791 24.998 ( -0.837 0.000 -5.729) 5.790 25.078 ( 0.609 0.000 1.573) 1.686 25.338 ( -1.856 0.000 2.630) 3.219 25.368 ( 8.986 0.000 -4.583) 10.087 25.636 ( -4.154 0.000 0.678) 4.209 25.724 ( -1.581 0.000 0.492) 1.656 26.032 ( 1.102 0.000 0.703) 1.307 26.077 ( 2.380 0.000 -0.988) 2.577 26.187 ( 0.221 0.000 -3.896) 3.902 26.346 ( 1.137 0.000 -3.392) 3.578 26.410 ( -2.868 0.000 3.919) 4.856 26.445 ( -0.475 0.000 -0.609) 0.772 26.560 ( 5.298 0.000 -5.978) 7.988 26.748 ( -1.756 0.000 2.775) 3.284 26.784 ( -0.515 0.000 0.689) 0.861 26.902 ( 4.071 0.000 5.043) 6.481 27.025 ( 2.780 0.000 4.092) 4.947 27.078 ( 4.772 0.000 -1.941) 5.152 27.375 ( 7.032 0.000 1.165) 7.128 27.562 ( -5.852 0.000 6.932) 9.072 27.720 ( 17.759 0.000 -6.864) 19.039 27.967 ( 8.411 0.000 -9.122) 12.408 29.120 ( -6.922 0.000 15.875) 17.319 29.204 ( 7.443 0.000 -14.414) 16.222 29.453 ( -16.552 0.000 7.858) 18.323 30.027 ( -5.646 0.000 -0.865) 5.712 ======================= Grid point 108 (52/78) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 1.759 0.000 2.782) 3.292 1.858 ( -12.204 0.000 4.109) 12.877 2.273 ( 1.401 0.000 4.924) 5.119 2.714 ( -4.717 0.000 -19.581) 20.141 2.792 ( 22.928 0.000 -17.746) 28.993 2.902 ( 15.475 0.000 0.217) 15.477 2.997 ( 21.412 0.000 -18.108) 28.043 3.121 ( 6.318 0.000 4.443) 7.724 3.565 ( 0.220 0.000 0.911) 0.937 3.612 ( 13.225 0.000 -0.063) 13.225 3.898 ( 10.731 0.000 6.487) 12.539 4.015 ( 6.121 0.000 10.699) 12.326 4.223 ( -6.656 0.000 0.344) 6.665 4.264 ( 12.002 0.000 12.099) 17.042 4.401 ( 7.974 0.000 1.389) 8.094 4.532 ( 11.561 0.000 13.133) 17.496 4.689 ( 4.055 0.000 2.421) 4.722 4.711 ( 0.938 0.000 -15.124) 15.153 4.797 ( 19.569 0.000 -13.054) 23.524 5.018 ( 1.318 0.000 -12.429) 12.499 5.083 ( -4.203 0.000 6.790) 7.985 5.142 ( 7.841 0.000 -5.436) 9.541 5.549 ( -6.236 0.000 10.757) 12.434 5.651 ( 6.834 0.000 -10.242) 12.313 5.791 ( 0.145 0.000 -2.303) 2.307 5.915 ( -4.694 0.000 4.011) 6.174 6.058 ( 4.994 0.000 13.496) 14.391 6.159 ( -3.993 0.000 0.132) 3.995 6.327 ( -4.919 0.000 12.820) 13.731 6.658 ( -9.229 0.000 21.004) 22.942 6.788 ( 5.689 0.000 -11.382) 12.725 6.895 ( -3.372 0.000 -11.984) 12.449 6.919 ( -8.804 0.000 21.403) 23.143 7.138 ( -1.833 0.000 -17.831) 17.925 7.242 ( -3.206 0.000 9.396) 9.928 7.571 ( 8.262 0.000 9.709) 12.748 7.571 ( 5.324 0.000 -0.923) 5.403 7.952 ( 1.451 0.000 17.366) 17.427 7.952 ( 8.484 0.000 -12.224) 14.880 8.072 ( 26.844 0.000 -11.521) 29.212 8.102 ( -16.265 0.000 17.787) 24.102 8.204 ( 9.652 0.000 -13.358) 16.480 8.372 ( 11.737 0.000 13.134) 17.614 8.677 ( 12.121 0.000 -2.522) 12.381 8.722 ( 7.963 0.000 -24.875) 26.119 9.066 ( 18.190 0.000 -9.635) 20.585 9.093 ( -4.458 0.000 -3.659) 5.767 9.440 ( 4.023 0.000 18.811) 19.237 9.706 ( 1.968 0.000 3.686) 4.178 9.841 ( 1.419 0.000 -15.240) 15.306 10.032 ( 4.293 0.000 20.658) 21.100 10.151 ( -9.905 0.000 16.599) 19.329 10.235 ( -19.476 0.000 -2.972) 19.702 10.402 ( -1.224 0.000 -12.437) 12.497 10.415 ( -12.639 0.000 -4.465) 13.404 10.676 ( 17.341 0.000 -8.277) 19.215 10.709 ( 8.096 0.000 -0.400) 8.106 11.017 ( 5.532 0.000 3.689) 6.649 11.047 ( 9.564 0.000 -9.214) 13.280 11.133 ( -5.540 0.000 10.087) 11.508 11.353 ( 1.989 0.000 -3.366) 3.910 11.501 ( 9.396 0.000 -5.182) 10.730 11.732 ( -2.387 0.000 -3.077) 3.894 11.804 ( -2.064 0.000 -2.370) 3.143 11.912 ( 1.683 0.000 -0.827) 1.875 11.982 ( -7.935 0.000 -0.991) 7.996 12.085 ( -0.087 0.000 4.722) 4.723 12.103 ( -5.541 0.000 -0.485) 5.562 12.351 ( -8.063 0.000 -12.642) 14.995 12.524 ( -2.893 0.000 4.310) 5.191 12.849 ( 3.360 0.000 1.119) 3.541 12.896 ( 14.545 0.000 -0.242) 14.547 13.142 ( 4.942 0.000 1.357) 5.125 13.152 ( 13.662 0.000 -4.271) 14.314 13.425 ( 5.753 0.000 -1.903) 6.059 13.604 ( -6.990 0.000 2.628) 7.468 13.607 ( 11.687 0.000 3.663) 12.247 13.878 ( -0.025 0.000 3.997) 3.997 14.063 ( 6.492 0.000 -1.428) 6.647 14.101 ( 4.617 0.000 3.623) 5.868 14.179 ( -1.287 0.000 -4.109) 4.306 14.652 ( 4.310 0.000 23.687) 24.076 15.020 ( -4.998 0.000 -12.546) 13.505 15.188 ( -1.707 0.000 -5.007) 5.290 15.279 ( -8.453 0.000 2.565) 8.833 15.461 ( -2.037 0.000 -1.610) 2.596 15.693 ( -14.297 0.000 -16.970) 22.190 15.721 ( -9.272 0.000 4.217) 10.186 16.091 ( 3.367 0.000 -8.302) 8.959 16.427 ( 1.689 0.000 3.332) 3.735 16.474 ( -6.982 0.000 6.931) 9.838 16.711 ( -4.478 0.000 3.567) 5.725 16.755 ( -6.658 0.000 -15.456) 16.829 16.852 ( -10.916 0.000 5.512) 12.229 17.013 ( -7.783 0.000 -5.864) 9.745 17.963 ( -31.520 0.000 15.275) 35.026 19.945 ( -6.572 0.000 1.071) 6.658 19.963 ( -0.358 0.000 -0.938) 1.004 20.251 ( -2.095 0.000 6.936) 7.245 20.265 ( -4.023 0.000 3.410) 5.273 20.452 ( 0.558 0.000 4.173) 4.210 20.455 ( -1.439 0.000 -1.839) 2.334 20.587 ( -7.275 0.000 -1.956) 7.533 20.635 ( 1.578 0.000 -3.696) 4.019 20.725 ( 0.147 0.000 0.114) 0.186 20.943 ( -8.278 0.000 8.236) 11.677 21.127 ( -0.178 0.000 1.549) 1.559 21.155 ( 5.218 0.000 -2.660) 5.857 21.421 ( -1.453 0.000 1.437) 2.044 21.467 ( 2.856 0.000 0.585) 2.915 21.569 ( -2.110 0.000 6.937) 7.251 21.651 ( 0.077 0.000 -5.387) 5.388 21.664 ( 2.774 0.000 -1.416) 3.114 21.853 ( 0.865 0.000 -10.913) 10.948 21.855 ( -2.362 0.000 -0.489) 2.412 21.998 ( -3.836 0.000 3.205) 4.999 22.088 ( -6.466 0.000 -1.633) 6.669 22.090 ( 7.775 0.000 -1.400) 7.900 22.443 ( -8.333 0.000 -4.165) 9.316 22.502 ( -10.939 0.000 2.788) 11.289 23.139 ( 7.957 0.000 1.471) 8.092 23.248 ( 2.634 0.000 0.325) 2.654 23.358 ( -2.960 0.000 -2.171) 3.671 23.660 ( 8.547 0.000 -0.941) 8.599 24.356 ( 14.205 0.000 -4.586) 14.927 24.398 ( 8.343 0.000 9.342) 12.525 24.519 ( 5.030 0.000 0.183) 5.033 24.723 ( 1.734 0.000 -0.192) 1.744 24.731 ( 2.709 0.000 4.033) 4.858 24.969 ( 2.823 0.000 -4.015) 4.908 25.028 ( -0.569 0.000 2.668) 2.728 25.125 ( 1.318 0.000 -1.519) 2.011 25.355 ( -0.864 0.000 7.998) 8.045 25.459 ( 7.131 0.000 -6.457) 9.620 25.580 ( -3.388 0.000 0.872) 3.498 25.719 ( 0.932 0.000 -0.162) 0.946 26.055 ( 1.899 0.000 -1.096) 2.193 26.118 ( 2.972 0.000 -0.583) 3.029 26.179 ( 2.552 0.000 -2.728) 3.736 26.315 ( 2.290 0.000 -4.864) 5.376 26.391 ( -0.797 0.000 -0.647) 1.027 26.443 ( 0.709 0.000 -3.199) 3.276 26.599 ( 1.075 0.000 -2.700) 2.906 26.734 ( -3.800 0.000 3.399) 5.098 26.773 ( 1.409 0.000 1.725) 2.227 26.972 ( 0.437 0.000 1.439) 1.504 27.079 ( -0.680 0.000 3.280) 3.349 27.119 ( 0.454 0.000 -3.092) 3.125 27.513 ( 2.667 0.000 13.783) 14.038 27.598 ( 0.781 0.000 7.499) 7.540 27.923 ( 14.444 0.000 -7.852) 16.441 28.036 ( 10.274 0.000 -9.597) 14.059 29.129 ( -8.142 0.000 12.329) 14.775 29.218 ( 9.648 0.000 -13.501) 16.594 29.281 ( -12.950 0.000 8.984) 15.761 29.871 ( -6.188 0.000 -8.904) 10.844 ======================= Grid point 109 (53/78) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -13.714 0.000 3.072) 14.054 1.786 ( 2.915 0.000 2.645) 3.937 2.383 ( -0.275 0.000 16.021) 16.023 2.536 ( 6.280 0.000 -12.261) 13.776 3.081 ( 24.068 0.000 -10.903) 26.423 3.143 ( 5.895 0.000 4.426) 7.371 3.195 ( 19.852 0.000 -11.313) 22.849 3.267 ( 7.796 0.000 1.631) 7.965 3.559 ( -3.113 0.000 5.249) 6.102 3.658 ( -4.707 0.000 -3.631) 5.945 4.075 ( -3.359 0.000 -3.864) 5.120 4.118 ( 5.478 0.000 6.216) 8.285 4.259 ( 6.823 0.000 8.171) 10.645 4.354 ( -8.668 0.000 -14.525) 16.915 4.456 ( -1.129 0.000 -1.349) 1.759 4.527 ( 1.208 0.000 0.984) 1.558 4.792 ( 7.297 0.000 6.466) 9.750 4.855 ( 9.215 0.000 2.540) 9.558 4.893 ( 0.837 0.000 1.197) 1.461 5.037 ( 6.773 0.000 -3.802) 7.767 5.055 ( -2.981 0.000 3.344) 4.480 5.419 ( -16.946 0.000 6.836) 18.273 5.451 ( 23.840 0.000 6.224) 24.639 5.766 ( -2.132 0.000 -1.226) 2.459 5.827 ( 19.785 0.000 -8.386) 21.489 5.904 ( -2.367 0.000 6.092) 6.536 6.188 ( -0.538 0.000 11.309) 11.322 6.247 ( 1.465 0.000 8.639) 8.762 6.291 ( -9.178 0.000 9.210) 13.002 6.680 ( -6.353 0.000 11.914) 13.502 6.755 ( 2.741 0.000 3.429) 4.390 6.824 ( 8.177 0.000 -14.372) 16.536 6.918 ( -14.133 0.000 11.103) 17.973 7.124 ( 14.957 0.000 -4.944) 15.753 7.160 ( -11.502 0.000 3.856) 12.131 7.581 ( 0.683 0.000 2.059) 2.169 7.638 ( -7.883 0.000 8.461) 11.564 7.941 ( -17.896 0.000 15.964) 23.982 7.971 ( 10.089 0.000 -17.595) 20.282 8.024 ( -10.135 0.000 11.938) 15.660 8.235 ( 12.467 0.000 -12.580) 17.711 8.548 ( -3.528 0.000 -11.765) 12.282 8.549 ( 25.254 0.000 -12.889) 28.353 8.655 ( 20.931 0.000 -17.320) 27.168 8.767 ( -5.364 0.000 3.449) 6.377 9.121 ( 9.817 0.000 -0.644) 9.838 9.289 ( 13.338 0.000 -4.537) 14.089 9.574 ( -8.491 0.000 8.965) 12.348 9.674 ( -6.186 0.000 -9.255) 11.132 9.799 ( 3.047 0.000 3.055) 4.314 9.992 ( -0.824 0.000 -0.553) 0.993 10.082 ( -16.571 0.000 2.860) 16.816 10.217 ( -7.302 0.000 14.415) 16.159 10.247 ( 8.306 0.000 1.439) 8.430 10.414 ( 10.027 0.000 6.393) 11.891 10.766 ( -2.848 0.000 1.447) 3.195 10.833 ( 10.867 0.000 -12.179) 16.323 11.008 ( -4.653 0.000 1.107) 4.783 11.111 ( 11.296 0.000 -12.248) 16.662 11.248 ( 3.653 0.000 6.288) 7.272 11.317 ( -3.047 0.000 -0.106) 3.049 11.589 ( 1.147 0.000 -2.916) 3.134 11.694 ( 5.893 0.000 -5.719) 8.212 11.708 ( -2.395 0.000 -8.726) 9.048 11.820 ( -6.930 0.000 -14.622) 16.181 11.878 ( -7.074 0.000 4.588) 8.431 12.045 ( -0.609 0.000 3.326) 3.381 12.100 ( 2.805 0.000 -0.393) 2.833 12.227 ( -1.269 0.000 4.339) 4.521 12.490 ( -4.546 0.000 0.898) 4.634 13.023 ( 9.562 0.000 9.291) 13.333 13.050 ( 1.015 0.000 -0.954) 1.393 13.219 ( 1.989 0.000 -1.780) 2.669 13.302 ( 12.263 0.000 -7.576) 14.415 13.546 ( 9.129 0.000 4.937) 10.379 13.597 ( 5.777 0.000 2.483) 6.289 13.827 ( 5.515 0.000 -1.510) 5.718 13.908 ( 0.318 0.000 2.426) 2.447 14.133 ( 0.388 0.000 -3.648) 3.669 14.168 ( 1.460 0.000 2.423) 2.829 14.277 ( 14.701 0.000 -0.390) 14.706 14.534 ( -7.700 0.000 -1.014) 7.767 15.021 ( -13.709 0.000 0.318) 13.713 15.158 ( -0.168 0.000 -1.864) 1.872 15.247 ( 1.115 0.000 2.753) 2.970 15.252 ( -13.619 0.000 -10.519) 17.208 15.512 ( -17.618 0.000 1.227) 17.661 15.574 ( 14.027 0.000 11.043) 17.852 16.002 ( -7.003 0.000 -9.241) 11.595 16.307 ( 2.894 0.000 -10.241) 10.642 16.360 ( -13.454 0.000 7.230) 15.274 16.674 ( -6.575 0.000 -2.313) 6.970 16.718 ( -2.335 0.000 0.304) 2.355 16.801 ( 9.006 0.000 4.141) 9.912 16.903 ( -1.625 0.000 -2.100) 2.655 17.542 ( -29.160 0.000 7.161) 30.027 19.885 ( -2.307 0.000 2.800) 3.628 19.960 ( -0.126 0.000 0.601) 0.615 20.219 ( -5.328 0.000 3.573) 6.415 20.260 ( -3.924 0.000 4.110) 5.682 20.402 ( -0.645 0.000 -3.082) 3.149 20.442 ( -3.762 0.000 0.786) 3.844 20.535 ( -0.432 0.000 5.185) 5.203 20.698 ( 5.229 0.000 3.928) 6.540 20.740 ( 1.404 0.000 -0.620) 1.535 20.908 ( -4.706 0.000 9.216) 10.348 21.128 ( -1.057 0.000 1.229) 1.621 21.216 ( 3.466 0.000 -1.146) 3.651 21.400 ( -4.271 0.000 0.433) 4.293 21.502 ( 4.758 0.000 -6.268) 7.869 21.525 ( -3.268 0.000 -10.767) 11.252 21.540 ( -3.868 0.000 0.125) 3.870 21.706 ( 5.879 0.000 -8.060) 9.976 21.800 ( -3.985 0.000 -0.027) 3.985 21.859 ( 5.091 0.000 -1.725) 5.375 21.901 ( -6.536 0.000 -2.773) 7.100 21.969 ( -5.607 0.000 2.470) 6.127 22.204 ( 6.901 0.000 -4.365) 8.166 22.319 ( -4.132 0.000 2.252) 4.705 22.412 ( -4.713 0.000 4.725) 6.673 23.268 ( -0.825 0.000 0.828) 1.169 23.272 ( 1.943 0.000 -0.381) 1.980 23.377 ( 5.805 0.000 7.949) 9.843 23.744 ( 3.172 0.000 -2.499) 4.038 24.477 ( 3.418 0.000 3.053) 4.582 24.576 ( 3.591 0.000 5.991) 6.985 24.648 ( 5.666 0.000 0.986) 5.751 24.784 ( 7.706 0.000 -1.315) 7.818 24.785 ( 0.489 0.000 0.422) 0.646 25.003 ( 4.109 0.000 -1.726) 4.457 25.034 ( -2.569 0.000 2.846) 3.834 25.068 ( -3.776 0.000 -2.161) 4.351 25.418 ( -2.344 0.000 5.319) 5.813 25.487 ( 4.488 0.000 -7.121) 8.418 25.558 ( -0.377 0.000 3.762) 3.781 25.737 ( 2.138 0.000 -2.726) 3.465 26.082 ( 2.642 0.000 -1.147) 2.880 26.150 ( 1.348 0.000 -0.956) 1.653 26.208 ( 2.551 0.000 -0.920) 2.711 26.332 ( 1.457 0.000 -2.556) 2.942 26.384 ( 1.966 0.000 -2.252) 2.990 26.430 ( 4.006 0.000 -3.343) 5.218 26.536 ( -2.872 0.000 -4.257) 5.135 26.670 ( -7.336 0.000 2.737) 7.830 26.860 ( 3.292 0.000 4.691) 5.730 26.965 ( -0.367 0.000 -1.517) 1.561 27.054 ( -2.863 0.000 -3.850) 4.798 27.072 ( -2.279 0.000 1.013) 2.494 27.683 ( -1.219 0.000 15.501) 15.549 27.727 ( 2.854 0.000 12.937) 13.249 28.048 ( 8.830 0.000 -8.506) 12.261 28.113 ( 10.209 0.000 -10.952) 14.972 29.086 ( -9.133 0.000 10.214) 13.701 29.198 ( -8.457 0.000 11.478) 14.257 29.253 ( 9.303 0.000 -13.263) 16.200 29.677 ( -3.103 0.000 -13.796) 14.140 ======================= Grid point 110 (54/78) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -7.447 0.000 10.978) 13.265 1.761 ( 1.092 0.000 -9.021) 9.087 2.523 ( -3.203 0.000 14.098) 14.457 2.690 ( 13.762 0.000 -4.068) 14.351 3.147 ( -5.365 0.000 1.687) 5.624 3.237 ( 1.312 0.000 -6.209) 6.346 3.347 ( -4.129 0.000 0.868) 4.219 3.449 ( 0.431 0.000 -7.428) 7.440 3.504 ( 6.590 0.000 2.389) 7.009 3.576 ( 5.429 0.000 -2.025) 5.794 3.983 ( -9.250 0.000 -2.786) 9.661 3.997 ( -0.886 0.000 -3.149) 3.271 4.334 ( 6.547 0.000 0.877) 6.606 4.355 ( -8.333 0.000 0.629) 8.357 4.420 ( 3.733 0.000 3.323) 4.998 4.499 ( -2.343 0.000 -3.743) 4.416 4.882 ( -2.756 0.000 4.827) 5.558 4.938 ( 0.687 0.000 -0.289) 0.745 4.980 ( -0.949 0.000 10.200) 10.244 5.074 ( -9.658 0.000 5.357) 11.044 5.184 ( 15.851 0.000 -0.940) 15.878 5.190 ( -2.618 0.000 -6.852) 7.335 5.700 ( -8.358 0.000 5.160) 9.822 5.812 ( 12.631 0.000 -6.412) 14.165 5.907 ( -5.710 0.000 6.834) 8.906 6.024 ( 7.677 0.000 -1.883) 7.904 6.245 ( -4.868 0.000 7.275) 8.754 6.266 ( -0.930 0.000 5.330) 5.411 6.352 ( 9.504 0.000 12.640) 15.815 6.629 ( -14.280 0.000 -9.328) 17.057 6.663 ( -9.555 0.000 6.797) 11.726 6.838 ( 10.575 0.000 -11.962) 15.966 7.006 ( -16.067 0.000 11.012) 19.479 7.122 ( 18.798 0.000 13.300) 23.027 7.406 ( 19.412 0.000 1.849) 19.499 7.571 ( -14.863 0.000 13.871) 20.331 7.743 ( -14.329 0.000 -4.305) 14.962 7.783 ( 15.486 0.000 12.902) 20.156 7.835 ( -19.848 0.000 4.889) 20.441 7.943 ( 4.464 0.000 -12.051) 12.851 8.194 ( -11.413 0.000 -6.410) 13.090 8.355 ( 17.246 0.000 -16.464) 23.843 8.545 ( -21.068 0.000 -6.782) 22.133 8.680 ( 24.966 0.000 -21.398) 32.882 9.132 ( 28.005 0.000 -1.191) 28.031 9.133 ( -16.652 0.000 -1.202) 16.696 9.350 ( -10.037 0.000 1.064) 10.093 9.365 ( -0.459 0.000 -0.360) 0.583 9.663 ( 9.566 0.000 -0.286) 9.570 9.702 ( -11.898 0.000 -3.775) 12.483 9.958 ( -3.573 0.000 7.459) 8.271 10.076 ( 6.877 0.000 -3.557) 7.742 10.264 ( -8.264 0.000 14.220) 16.447 10.451 ( 11.487 0.000 -1.641) 11.604 10.635 ( -13.342 0.000 4.779) 14.172 10.692 ( 5.093 0.000 14.703) 15.561 10.857 ( 9.955 0.000 -8.988) 13.412 10.922 ( -6.317 0.000 0.359) 6.327 11.171 ( 7.408 0.000 -8.245) 11.084 11.309 ( 0.056 0.000 -11.428) 11.428 11.311 ( 0.765 0.000 3.255) 3.343 11.405 ( -8.901 0.000 -11.923) 14.879 11.562 ( -2.596 0.000 -0.643) 2.674 11.604 ( -1.189 0.000 -4.854) 4.998 11.822 ( -4.627 0.000 2.904) 5.462 11.868 ( 10.568 0.000 -2.345) 10.825 12.106 ( 2.347 0.000 3.955) 4.598 12.135 ( -1.034 0.000 1.094) 1.505 12.294 ( 2.092 0.000 5.936) 6.294 12.395 ( -6.189 0.000 -2.255) 6.587 13.027 ( -1.981 0.000 6.334) 6.637 13.172 ( -1.077 0.000 -6.369) 6.459 13.235 ( 1.415 0.000 6.686) 6.834 13.398 ( 5.925 0.000 -9.718) 11.382 13.642 ( -6.393 0.000 4.591) 7.871 13.678 ( 1.886 0.000 -0.024) 1.886 13.901 ( 10.698 0.000 2.735) 11.042 13.956 ( -7.972 0.000 0.588) 7.993 14.100 ( -2.480 0.000 -0.544) 2.539 14.103 ( -2.229 0.000 -0.935) 2.418 14.486 ( -10.524 0.000 -0.432) 10.532 14.551 ( 18.942 0.000 -6.132) 19.910 14.863 ( -4.363 0.000 0.937) 4.462 14.868 ( -0.431 0.000 2.757) 2.791 15.188 ( -20.225 0.000 1.162) 20.258 15.294 ( 14.542 0.000 -6.847) 16.073 15.379 ( 6.660 0.000 10.755) 12.650 15.653 ( -5.236 0.000 -16.091) 16.921 16.104 ( 15.648 0.000 14.172) 21.112 16.188 ( -13.348 0.000 6.349) 14.781 16.382 ( 12.499 0.000 -4.818) 13.396 16.451 ( -10.091 0.000 -11.915) 15.614 16.759 ( 2.900 0.000 2.836) 4.056 16.799 ( -3.945 0.000 -0.885) 4.044 17.122 ( 19.961 0.000 4.169) 20.391 17.160 ( -19.571 0.000 0.323) 19.574 19.913 ( 1.190 0.000 3.510) 3.706 19.952 ( -1.173 0.000 -0.458) 1.260 20.191 ( -0.754 0.000 3.540) 3.620 20.224 ( -1.365 0.000 0.723) 1.544 20.385 ( -0.010 0.000 -0.120) 0.120 20.407 ( -0.502 0.000 -0.891) 1.023 20.608 ( 1.182 0.000 7.548) 7.640 20.738 ( 0.709 0.000 -4.556) 4.611 20.856 ( 5.307 0.000 8.658) 10.155 20.945 ( -0.149 0.000 3.766) 3.769 21.131 ( -0.280 0.000 0.517) 0.588 21.208 ( -1.147 0.000 -5.643) 5.759 21.278 ( -9.191 0.000 5.486) 10.704 21.415 ( 1.452 0.000 -5.453) 5.643 21.479 ( -2.508 0.000 -3.540) 4.339 21.524 ( 6.324 0.000 -8.884) 10.905 21.682 ( -9.005 0.000 0.871) 9.047 21.743 ( 6.966 0.000 -5.291) 8.748 21.824 ( -0.482 0.000 0.049) 0.484 21.846 ( -1.237 0.000 -1.904) 2.271 22.027 ( 2.259 0.000 6.864) 7.226 22.167 ( -2.071 0.000 -6.730) 7.041 22.375 ( 4.108 0.000 2.802) 4.973 22.409 ( 0.830 0.000 0.428) 0.934 23.244 ( -3.058 0.000 1.927) 3.614 23.288 ( 2.232 0.000 -1.706) 2.810 23.564 ( 3.813 0.000 9.589) 10.320 23.715 ( -1.974 0.000 -5.725) 6.056 24.568 ( 2.033 0.000 5.770) 6.118 24.619 ( -4.479 0.000 3.740) 5.835 24.698 ( -1.025 0.000 3.476) 3.624 24.750 ( -2.740 0.000 -3.124) 4.155 24.931 ( 9.363 0.000 -1.745) 9.524 24.955 ( -3.079 0.000 -4.371) 5.347 25.023 ( -5.010 0.000 3.505) 6.115 25.064 ( 3.999 0.000 -0.236) 4.006 25.381 ( -5.283 0.000 3.983) 6.617 25.490 ( 4.001 0.000 -6.515) 7.645 25.621 ( 1.029 0.000 5.211) 5.312 25.727 ( 1.222 0.000 -5.308) 5.447 26.116 ( 1.403 0.000 0.431) 1.468 26.142 ( -0.926 0.000 -1.686) 1.924 26.238 ( 0.690 0.000 1.434) 1.591 26.276 ( -3.842 0.000 -2.436) 4.549 26.418 ( 3.815 0.000 -1.555) 4.120 26.439 ( -2.340 0.000 -4.402) 4.985 26.547 ( -8.425 0.000 0.674) 8.451 26.552 ( 9.215 0.000 0.703) 9.242 26.926 ( -1.650 0.000 2.205) 2.754 26.956 ( 1.086 0.000 -0.801) 1.349 27.007 ( 2.251 0.000 0.060) 2.252 27.027 ( -2.621 0.000 -1.629) 3.086 27.797 ( -2.500 0.000 14.576) 14.788 27.864 ( -2.912 0.000 13.580) 13.889 28.045 ( 2.836 0.000 -11.614) 11.955 28.152 ( 7.355 0.000 -13.752) 15.596 29.032 ( -9.444 0.000 11.297) 14.724 29.215 ( -4.654 0.000 15.466) 16.151 29.271 ( 7.648 0.000 -12.400) 14.569 29.520 ( 1.185 0.000 -14.780) 14.828 ======================= Grid point 111 (55/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.718 0.000 16.224) 16.450 1.747 ( 6.570 0.000 -5.761) 8.738 2.473 ( -8.744 0.000 -1.957) 8.960 2.679 ( -3.828 0.000 -12.632) 13.200 2.942 ( -24.850 0.000 0.840) 24.864 3.040 ( -21.453 0.000 2.427) 21.590 3.255 ( -9.027 0.000 -4.545) 10.107 3.269 ( -0.345 0.000 2.503) 2.527 3.646 ( 4.250 0.000 -3.158) 5.294 3.689 ( 5.554 0.000 -7.094) 9.009 3.969 ( 2.408 0.000 6.746) 7.163 4.079 ( 9.615 0.000 9.122) 13.253 4.203 ( -8.948 0.000 0.313) 8.953 4.403 ( -1.556 0.000 -4.553) 4.812 4.412 ( -0.963 0.000 0.824) 1.267 4.482 ( -0.473 0.000 4.449) 4.474 4.783 ( -22.215 0.000 5.978) 23.006 4.836 ( -8.890 0.000 5.139) 10.269 4.940 ( -0.870 0.000 -3.101) 3.221 5.057 ( 4.749 0.000 2.228) 5.245 5.111 ( -4.851 0.000 -12.410) 13.324 5.473 ( 14.555 0.000 3.597) 14.993 5.537 ( -14.372 0.000 -1.346) 14.435 5.767 ( -17.779 0.000 0.935) 17.804 5.811 ( -0.543 0.000 -7.056) 7.077 6.050 ( 3.219 0.000 -7.807) 8.445 6.253 ( -1.752 0.000 5.796) 6.055 6.356 ( 5.809 0.000 2.835) 6.464 6.416 ( -0.109 0.000 -0.486) 0.498 6.492 ( -16.771 0.000 6.229) 17.891 6.758 ( 17.207 0.000 13.874) 22.103 6.815 ( -18.216 0.000 7.859) 19.839 6.908 ( 9.831 0.000 -7.528) 12.382 7.228 ( -11.410 0.000 -20.704) 23.640 7.394 ( 15.376 0.000 -11.502) 19.202 7.509 ( -10.931 0.000 11.200) 15.650 7.734 ( -9.544 0.000 11.937) 15.284 7.796 ( 7.200 0.000 -0.395) 7.211 8.012 ( 16.591 0.000 9.976) 19.360 8.047 ( -10.421 0.000 -3.212) 10.905 8.180 ( 14.618 0.000 2.869) 14.897 8.194 ( -11.465 0.000 12.113) 16.679 8.489 ( 16.396 0.000 -13.623) 21.317 8.626 ( -31.365 0.000 -5.554) 31.853 8.916 ( 15.907 0.000 -14.249) 21.356 9.131 ( -12.171 0.000 -1.982) 12.332 9.228 ( -13.007 0.000 2.561) 13.257 9.578 ( 1.480 0.000 3.689) 3.975 9.639 ( 16.924 0.000 0.146) 16.925 9.821 ( 4.631 0.000 -0.092) 4.632 9.952 ( -1.153 0.000 5.246) 5.371 10.083 ( -18.797 0.000 4.398) 19.304 10.150 ( 10.340 0.000 -5.439) 11.684 10.483 ( -0.007 0.000 -8.129) 8.129 10.561 ( -7.261 0.000 12.568) 14.515 10.771 ( -6.801 0.000 -12.811) 14.505 10.794 ( 0.362 0.000 1.703) 1.741 10.994 ( -10.661 0.000 -5.940) 12.204 11.035 ( 7.404 0.000 0.754) 7.442 11.212 ( -0.524 0.000 3.708) 3.745 11.354 ( -0.083 0.000 -2.852) 2.853 11.440 ( 9.374 0.000 10.372) 13.981 11.571 ( 1.073 0.000 4.079) 4.217 11.577 ( -1.806 0.000 0.079) 1.808 11.769 ( 1.315 0.000 -4.908) 5.081 11.954 ( 1.404 0.000 -3.503) 3.773 12.118 ( 1.475 0.000 -1.321) 1.980 12.136 ( -4.883 0.000 -3.584) 6.058 12.256 ( -4.422 0.000 1.767) 4.762 12.391 ( 1.730 0.000 7.860) 8.048 13.100 ( -0.886 0.000 -5.175) 5.250 13.117 ( 0.761 0.000 7.920) 7.956 13.175 ( -10.692 0.000 4.971) 11.791 13.261 ( -5.660 0.000 -13.784) 14.901 13.610 ( -19.968 0.000 -1.485) 20.023 13.615 ( -6.818 0.000 1.271) 6.936 13.753 ( 0.896 0.000 5.248) 5.324 13.909 ( -1.543 0.000 2.176) 2.667 14.132 ( -3.083 0.000 6.104) 6.838 14.170 ( 7.868 0.000 -4.374) 9.002 14.296 ( -5.266 0.000 -2.937) 6.029 14.580 ( -4.019 0.000 -9.425) 10.246 14.981 ( 9.301 0.000 2.380) 9.601 14.985 ( -6.897 0.000 13.814) 15.440 15.130 ( 18.799 0.000 2.286) 18.937 15.422 ( -2.062 0.000 -12.113) 12.287 15.565 ( 19.426 0.000 -4.563) 19.954 15.622 ( 5.561 0.000 9.330) 10.862 16.062 ( -1.173 0.000 -4.271) 4.429 16.154 ( -10.337 0.000 -6.095) 12.000 16.382 ( 7.183 0.000 3.315) 7.911 16.644 ( 18.864 0.000 1.432) 18.918 16.740 ( -0.815 0.000 -1.416) 1.634 16.843 ( 1.483 0.000 3.787) 4.067 16.879 ( -11.230 0.000 -3.314) 11.708 17.595 ( 31.391 0.000 1.889) 31.448 19.929 ( 0.549 0.000 -1.541) 1.636 19.954 ( 0.123 0.000 1.408) 1.414 20.257 ( 4.022 0.000 0.306) 4.034 20.265 ( 4.894 0.000 3.344) 5.928 20.398 ( 0.609 0.000 -1.585) 1.698 20.400 ( 0.953 0.000 2.839) 2.994 20.674 ( -1.038 0.000 -7.488) 7.559 20.692 ( 1.273 0.000 4.075) 4.269 20.851 ( -6.776 0.000 -9.843) 11.950 21.013 ( 6.151 0.000 2.267) 6.556 21.140 ( -0.714 0.000 -1.598) 1.751 21.157 ( -0.885 0.000 6.999) 7.055 21.309 ( 1.045 0.000 10.115) 10.169 21.389 ( -3.546 0.000 1.483) 3.843 21.428 ( 2.518 0.000 -1.536) 2.949 21.557 ( 6.870 0.000 -6.466) 9.434 21.590 ( -4.334 0.000 3.355) 5.481 21.823 ( 1.175 0.000 -0.216) 1.194 21.837 ( 0.404 0.000 0.315) 0.513 21.860 ( 7.568 0.000 0.518) 7.585 22.066 ( -1.200 0.000 -5.625) 5.752 22.090 ( -2.150 0.000 5.390) 5.803 22.431 ( 5.062 0.000 -7.049) 8.678 22.460 ( 4.743 0.000 -0.576) 4.778 23.220 ( -2.678 0.000 3.975) 4.793 23.307 ( 1.963 0.000 -2.553) 3.220 23.564 ( -7.118 0.000 -9.395) 11.787 23.662 ( -1.598 0.000 6.174) 6.377 24.497 ( -14.162 0.000 4.128) 14.752 24.610 ( -3.385 0.000 2.170) 4.021 24.645 ( -5.294 0.000 -3.287) 6.231 24.719 ( -0.766 0.000 5.278) 5.333 24.875 ( 0.765 0.000 -8.417) 8.452 24.950 ( -6.898 0.000 3.752) 7.852 25.037 ( 4.093 0.000 0.065) 4.094 25.120 ( 3.155 0.000 -1.851) 3.658 25.347 ( -4.806 0.000 6.574) 8.143 25.504 ( 3.988 0.000 -4.654) 6.129 25.674 ( 0.191 0.000 3.519) 3.524 25.678 ( 0.291 0.000 -7.180) 7.186 26.087 ( -3.050 0.000 -1.757) 3.520 26.128 ( -0.985 0.000 1.134) 1.502 26.183 ( -5.616 0.000 0.780) 5.670 26.265 ( -0.596 0.000 3.832) 3.878 26.379 ( -0.564 0.000 -2.180) 2.252 26.389 ( -7.253 0.000 0.685) 7.285 26.501 ( 3.810 0.000 -0.547) 3.849 26.724 ( 10.439 0.000 -1.679) 10.573 26.908 ( -1.341 0.000 2.938) 3.230 26.944 ( -3.299 0.000 -3.915) 5.120 26.995 ( 1.572 0.000 2.333) 2.813 27.084 ( 4.475 0.000 0.543) 4.508 27.858 ( -7.805 0.000 14.505) 16.472 27.877 ( -7.997 0.000 9.144) 12.148 27.942 ( -0.050 0.000 -13.712) 13.712 28.078 ( 2.287 0.000 -18.735) 18.874 28.980 ( -11.078 0.000 13.783) 17.683 29.288 ( 7.574 0.000 -10.162) 12.674 29.342 ( -0.357 0.000 19.563) 19.566 29.445 ( 6.050 0.000 -13.272) 14.586 ======================= Grid point 112 (56/78) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -1.954 0.000 -1.445) 2.430 1.861 ( 7.915 0.000 2.065) 8.180 2.366 ( -0.126 0.000 8.640) 8.641 2.372 ( -29.244 0.000 -1.136) 29.266 2.580 ( -7.509 0.000 -1.156) 7.597 2.634 ( -31.214 0.000 12.436) 33.600 3.030 ( -13.653 0.000 -4.496) 14.375 3.227 ( -2.640 0.000 -5.796) 6.369 3.618 ( -7.559 0.000 -0.925) 7.615 3.624 ( -3.433 0.000 -4.669) 5.796 3.996 ( -15.973 0.000 -2.183) 16.121 4.095 ( 3.248 0.000 4.185) 5.298 4.305 ( 0.709 0.000 -9.143) 9.170 4.351 ( -6.527 0.000 13.973) 15.422 4.392 ( -4.885 0.000 2.230) 5.370 4.400 ( -8.764 0.000 -4.384) 9.799 4.471 ( -35.465 0.000 20.579) 41.003 4.712 ( -7.645 0.000 1.257) 7.748 4.775 ( 3.315 0.000 0.578) 3.365 4.917 ( -7.417 0.000 -13.890) 15.746 5.163 ( 6.102 0.000 -1.348) 6.249 5.175 ( -16.020 0.000 -5.995) 17.105 5.553 ( -4.199 0.000 1.250) 4.381 5.649 ( -7.623 0.000 6.902) 10.283 5.759 ( 10.093 0.000 -7.365) 12.494 6.050 ( 6.761 0.000 -8.494) 10.856 6.252 ( -3.667 0.000 -5.450) 6.569 6.328 ( -3.385 0.000 -4.316) 5.485 6.483 ( 6.876 0.000 -0.901) 6.935 6.509 ( 0.062 0.000 16.285) 16.285 6.572 ( -16.575 0.000 11.244) 20.029 6.952 ( 10.539 0.000 -10.144) 14.627 7.063 ( 6.201 0.000 -6.840) 9.232 7.146 ( 10.444 0.000 3.657) 11.066 7.442 ( -12.465 0.000 12.283) 17.500 7.469 ( 7.888 0.000 -17.172) 18.897 7.729 ( 1.692 0.000 4.877) 5.162 7.765 ( -0.342 0.000 -10.071) 10.077 7.864 ( -19.331 0.000 12.713) 23.137 8.032 ( -22.759 0.000 2.289) 22.874 8.180 ( -8.257 0.000 -4.183) 9.256 8.312 ( -3.901 0.000 14.780) 15.286 8.375 ( 7.254 0.000 1.950) 7.512 8.501 ( -3.423 0.000 -9.117) 9.738 8.903 ( 2.551 0.000 -23.187) 23.326 8.960 ( -18.941 0.000 1.906) 19.037 9.033 ( 8.955 0.000 2.434) 9.279 9.636 ( -4.027 0.000 1.890) 4.449 9.724 ( 0.940 0.000 -8.391) 8.443 9.791 ( -1.897 0.000 -5.112) 5.453 9.950 ( 1.003 0.000 20.163) 20.188 10.230 ( 14.098 0.000 5.863) 15.269 10.342 ( 11.602 0.000 1.742) 11.732 10.378 ( -4.933 0.000 -3.657) 6.141 10.485 ( -1.747 0.000 -19.627) 19.704 10.520 ( -8.275 0.000 4.649) 9.491 10.757 ( -0.908 0.000 -5.392) 5.468 10.884 ( -6.307 0.000 6.803) 9.277 11.055 ( -2.823 0.000 -1.117) 3.036 11.256 ( 1.547 0.000 1.390) 2.079 11.316 ( -3.852 0.000 0.881) 3.951 11.468 ( -6.682 0.000 -4.820) 8.239 11.669 ( 3.240 0.000 8.708) 9.291 11.694 ( 4.518 0.000 3.907) 5.974 11.860 ( 9.679 0.000 6.310) 11.554 11.917 ( -1.929 0.000 3.915) 4.364 11.955 ( -9.045 0.000 5.821) 10.756 12.176 ( 8.119 0.000 -5.309) 9.701 12.258 ( 0.177 0.000 -1.781) 1.790 12.461 ( -3.937 0.000 6.458) 7.563 12.964 ( -8.377 0.000 -3.741) 9.174 13.040 ( -0.253 0.000 -11.759) 11.761 13.072 ( -6.634 0.000 2.966) 7.266 13.138 ( -5.917 0.000 1.022) 6.005 13.368 ( -10.832 0.000 2.346) 11.083 13.556 ( 0.356 0.000 4.909) 4.922 13.690 ( -10.180 0.000 0.330) 10.185 13.978 ( 4.387 0.000 -2.648) 5.125 14.044 ( -8.735 0.000 1.415) 8.849 14.193 ( -3.416 0.000 -5.298) 6.304 14.206 ( 6.479 0.000 -10.857) 12.644 14.672 ( 13.010 0.000 13.701) 18.894 14.983 ( -5.780 0.000 1.518) 5.976 15.091 ( 0.242 0.000 2.053) 2.067 15.382 ( 8.358 0.000 -6.041) 10.313 15.393 ( 2.167 0.000 4.386) 4.892 15.598 ( 3.963 0.000 -6.613) 7.709 15.799 ( 10.386 0.000 -3.301) 10.898 15.988 ( -4.758 0.000 0.105) 4.759 16.307 ( 17.830 0.000 11.794) 21.378 16.483 ( 2.266 0.000 2.562) 3.420 16.631 ( -12.493 0.000 -2.184) 12.682 16.752 ( 4.164 0.000 -1.237) 4.344 16.942 ( 4.129 0.000 3.097) 5.161 16.988 ( 21.884 0.000 -4.655) 22.374 18.153 ( 33.709 0.000 -4.124) 33.960 19.951 ( -0.981 0.000 0.409) 1.062 19.962 ( 4.962 0.000 -0.908) 5.045 20.312 ( 2.379 0.000 -1.047) 2.599 20.388 ( 0.461 0.000 -2.150) 2.199 20.396 ( 7.293 0.000 0.312) 7.299 20.468 ( -3.329 0.000 5.843) 6.725 20.578 ( 1.622 0.000 -6.032) 6.247 20.668 ( -3.477 0.000 -5.203) 6.258 20.723 ( 0.302 0.000 0.499) 0.584 21.113 ( -7.439 0.000 2.263) 7.775 21.115 ( 9.135 0.000 -5.426) 10.625 21.146 ( 0.534 0.000 -0.889) 1.037 21.425 ( 2.108 0.000 6.350) 6.691 21.451 ( 2.235 0.000 -1.320) 2.596 21.495 ( 6.569 0.000 8.664) 10.873 21.579 ( -0.768 0.000 3.205) 3.296 21.634 ( 5.476 0.000 -1.659) 5.722 21.795 ( -3.238 0.000 -2.683) 4.205 21.836 ( -0.457 0.000 1.941) 1.994 22.004 ( 3.179 0.000 1.964) 3.737 22.076 ( 0.929 0.000 0.039) 0.930 22.083 ( 6.471 0.000 -0.502) 6.491 22.448 ( 5.832 0.000 -6.519) 8.747 22.540 ( 6.298 0.000 -0.834) 6.353 23.208 ( -5.849 0.000 -0.285) 5.856 23.293 ( -0.087 0.000 -4.007) 4.008 23.343 ( -5.072 0.000 -4.565) 6.824 23.623 ( -8.306 0.000 3.021) 8.839 24.236 ( -22.257 0.000 7.305) 23.426 24.508 ( -7.694 0.000 -2.157) 7.990 24.542 ( -2.731 0.000 -3.131) 4.155 24.735 ( -3.086 0.000 3.195) 4.442 24.810 ( 0.765 0.000 -7.795) 7.833 24.882 ( -5.841 0.000 4.599) 7.434 25.080 ( -0.501 0.000 2.668) 2.715 25.122 ( 1.222 0.000 -5.196) 5.337 25.328 ( -5.491 0.000 6.679) 8.647 25.516 ( 2.171 0.000 -6.098) 6.473 25.625 ( 1.937 0.000 -5.133) 5.486 25.701 ( 0.375 0.000 1.606) 1.649 26.032 ( -2.399 0.000 1.150) 2.660 26.107 ( -2.585 0.000 0.747) 2.691 26.117 ( -3.676 0.000 2.239) 4.304 26.242 ( -5.127 0.000 2.741) 5.814 26.345 ( -1.101 0.000 5.107) 5.224 26.383 ( 2.617 0.000 -0.334) 2.639 26.565 ( 2.942 0.000 0.899) 3.076 26.826 ( -5.726 0.000 -3.402) 6.660 26.827 ( 5.484 0.000 -5.683) 7.897 26.952 ( 1.904 0.000 3.204) 3.727 27.053 ( 0.955 0.000 3.619) 3.743 27.141 ( 2.574 0.000 -2.089) 3.315 27.763 ( -13.770 0.000 8.848) 16.368 27.792 ( -2.291 0.000 -14.357) 14.538 27.836 ( -9.495 0.000 10.607) 14.236 27.885 ( -0.835 0.000 -21.290) 21.307 28.925 ( -12.017 0.000 15.847) 19.888 29.337 ( 8.717 0.000 -8.909) 12.464 29.470 ( 10.366 0.000 -10.503) 14.757 29.575 ( 4.602 0.000 21.273) 21.765 ======================= Grid point 113 (57/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -11.457 0.000 5.576) 12.742 1.826 ( -37.582 0.000 17.965) 41.655 2.037 ( 6.798 0.000 1.229) 6.908 2.364 ( -18.139 0.000 22.727) 29.078 2.575 ( 0.369 0.000 17.488) 17.492 2.582 ( 5.124 0.000 1.495) 5.338 2.707 ( -16.126 0.000 -3.502) 16.502 3.111 ( -2.869 0.000 -7.317) 7.860 3.355 ( -43.115 0.000 9.708) 44.195 3.362 ( -17.590 0.000 -5.818) 18.527 3.618 ( -18.537 0.000 17.560) 25.534 3.989 ( -16.752 0.000 -1.249) 16.799 4.020 ( -8.146 0.000 -9.348) 12.399 4.154 ( -16.041 0.000 1.927) 16.157 4.244 ( -6.748 0.000 -1.158) 6.847 4.356 ( 3.622 0.000 -3.343) 4.929 4.413 ( -15.336 0.000 -10.587) 18.636 4.603 ( 1.108 0.000 5.923) 6.026 4.664 ( 0.686 0.000 3.319) 3.389 5.003 ( 8.227 0.000 8.790) 12.039 5.025 ( -5.670 0.000 2.660) 6.262 5.208 ( 3.162 0.000 -6.387) 7.127 5.500 ( -12.016 0.000 3.915) 12.637 5.619 ( 6.414 0.000 7.167) 9.618 5.888 ( 7.499 0.000 -1.755) 7.702 6.079 ( 6.570 0.000 -12.264) 13.913 6.132 ( -5.967 0.000 -16.722) 17.755 6.184 ( -0.524 0.000 2.728) 2.778 6.500 ( -8.548 0.000 16.459) 18.546 6.505 ( 0.532 0.000 -12.701) 12.713 6.690 ( -0.583 0.000 15.579) 15.590 6.972 ( -2.130 0.000 -11.558) 11.753 7.133 ( -9.928 0.000 7.445) 12.409 7.215 ( 2.880 0.000 -9.034) 9.482 7.274 ( -4.042 0.000 -15.520) 16.038 7.331 ( -1.927 0.000 3.199) 3.734 7.552 ( -14.855 0.000 -13.064) 19.782 7.571 ( -14.903 0.000 8.943) 17.380 7.885 ( 3.961 0.000 12.950) 13.542 7.887 ( -2.971 0.000 -16.843) 17.103 7.935 ( -5.457 0.000 12.281) 13.439 8.337 ( -4.198 0.000 1.162) 4.356 8.358 ( -9.342 0.000 17.618) 19.942 8.572 ( 12.636 0.000 -14.144) 18.966 8.734 ( -9.459 0.000 6.170) 11.293 8.763 ( 9.576 0.000 -19.392) 21.628 9.197 ( 10.207 0.000 -2.305) 10.464 9.556 ( -2.502 0.000 -17.154) 17.335 9.641 ( -5.946 0.000 10.083) 11.705 9.732 ( -0.534 0.000 -3.835) 3.872 10.070 ( -8.841 0.000 -5.373) 10.346 10.239 ( -11.430 0.000 3.643) 11.997 10.277 ( -2.713 0.000 5.642) 6.260 10.427 ( 5.040 0.000 3.988) 6.427 10.501 ( 3.604 0.000 1.780) 4.020 10.657 ( 17.585 0.000 -5.153) 18.324 10.715 ( 5.902 0.000 -9.390) 11.091 10.842 ( -5.201 0.000 4.403) 6.814 10.955 ( -6.292 0.000 -5.309) 8.232 11.231 ( -7.866 0.000 4.632) 9.129 11.269 ( 0.905 0.000 -1.600) 1.838 11.366 ( 0.358 0.000 3.008) 3.029 11.716 ( -1.640 0.000 4.209) 4.517 11.851 ( 8.331 0.000 7.352) 11.111 11.951 ( 3.645 0.000 -3.803) 5.268 12.006 ( 2.726 0.000 9.985) 10.350 12.115 ( 5.534 0.000 8.472) 10.120 12.211 ( -3.803 0.000 5.222) 6.460 12.240 ( 3.391 0.000 -9.457) 10.046 12.399 ( -8.588 0.000 13.486) 15.988 12.868 ( 0.316 0.000 -0.136) 0.344 12.902 ( -4.117 0.000 -10.875) 11.628 12.936 ( -8.935 0.000 -7.120) 11.425 13.100 ( 0.183 0.000 -0.166) 0.247 13.251 ( -6.852 0.000 4.954) 8.455 13.546 ( -2.163 0.000 -3.866) 4.430 13.637 ( -1.949 0.000 4.551) 4.951 13.856 ( -5.718 0.000 1.797) 5.994 14.029 ( 1.772 0.000 -5.432) 5.714 14.102 ( -0.938 0.000 -4.655) 4.748 14.224 ( 2.757 0.000 -6.707) 7.252 14.721 ( -7.943 0.000 -12.327) 14.665 15.098 ( 15.705 0.000 4.684) 16.389 15.099 ( -0.998 0.000 4.478) 4.588 15.470 ( 5.557 0.000 9.212) 10.758 15.520 ( 11.148 0.000 -2.635) 11.455 15.752 ( 5.686 0.000 9.618) 11.173 15.852 ( 1.449 0.000 -4.063) 4.314 15.942 ( -3.328 0.000 7.786) 8.468 16.344 ( -12.686 0.000 -4.870) 13.589 16.483 ( -3.475 0.000 -2.522) 4.294 16.788 ( 14.794 0.000 15.455) 21.394 16.853 ( 7.351 0.000 0.528) 7.370 17.068 ( 6.588 0.000 8.392) 10.669 17.248 ( 18.345 0.000 -14.366) 23.301 18.595 ( 25.607 0.000 -11.090) 27.905 19.942 ( -0.842 0.000 1.583) 1.793 20.069 ( 7.465 0.000 -0.195) 7.467 20.307 ( -5.756 0.000 2.506) 6.278 20.366 ( 2.380 0.000 -5.925) 6.385 20.375 ( -2.046 0.000 -0.015) 2.046 20.503 ( 5.403 0.000 -1.383) 5.577 20.583 ( -3.034 0.000 2.291) 3.802 20.708 ( 7.209 0.000 1.296) 7.324 20.725 ( -0.340 0.000 -0.575) 0.668 21.018 ( -6.370 0.000 3.537) 7.286 21.086 ( -3.289 0.000 -5.711) 6.590 21.234 ( 10.186 0.000 -7.665) 12.748 21.470 ( 0.627 0.000 -1.454) 1.584 21.499 ( 5.741 0.000 -2.360) 6.207 21.624 ( 0.516 0.000 3.492) 3.530 21.637 ( 1.623 0.000 3.901) 4.226 21.655 ( 0.873 0.000 -5.142) 5.215 21.783 ( 4.569 0.000 2.329) 5.128 21.836 ( -2.477 0.000 3.327) 4.147 21.934 ( -6.526 0.000 -0.308) 6.534 22.179 ( 9.153 0.000 -6.193) 11.052 22.215 ( 8.229 0.000 -0.569) 8.249 22.554 ( 8.562 0.000 3.865) 9.394 22.687 ( 10.291 0.000 3.160) 10.765 23.004 ( -9.120 0.000 -1.415) 9.229 23.226 ( -2.225 0.000 -5.585) 6.012 23.365 ( 1.377 0.000 4.518) 4.723 23.445 ( -14.745 0.000 1.825) 14.858 23.913 ( -24.890 0.000 9.452) 26.624 24.327 ( -8.787 0.000 -5.975) 10.626 24.496 ( -0.508 0.000 -0.821) 0.965 24.682 ( -4.404 0.000 0.405) 4.422 24.732 ( -2.618 0.000 -6.647) 7.144 24.866 ( -1.768 0.000 8.130) 8.320 25.062 ( -2.649 0.000 -5.127) 5.771 25.077 ( -1.780 0.000 1.662) 2.435 25.278 ( -6.854 0.000 4.687) 8.304 25.462 ( 1.128 0.000 -8.617) 8.690 25.651 ( 3.558 0.000 -1.085) 3.720 25.727 ( 1.778 0.000 0.247) 1.795 26.030 ( -0.336 0.000 2.048) 2.075 26.061 ( -2.823 0.000 0.384) 2.849 26.103 ( -0.580 0.000 2.595) 2.659 26.229 ( -1.238 0.000 6.482) 6.600 26.380 ( -1.130 0.000 5.519) 5.633 26.459 ( 6.716 0.000 -0.991) 6.788 26.554 ( -4.873 0.000 -2.973) 5.708 26.765 ( 1.339 0.000 2.433) 2.777 26.828 ( 1.535 0.000 -5.185) 5.407 26.967 ( -1.711 0.000 -1.953) 2.597 27.063 ( -3.690 0.000 1.367) 3.935 27.114 ( -2.282 0.000 -4.192) 4.773 27.516 ( -11.397 0.000 -16.452) 20.014 27.591 ( -15.072 0.000 6.631) 16.466 27.748 ( 4.029 0.000 -12.434) 13.070 27.788 ( -6.677 0.000 9.453) 11.573 28.891 ( -10.537 0.000 17.306) 20.261 29.387 ( 8.055 0.000 -11.228) 13.819 29.589 ( 13.111 0.000 -6.687) 14.717 29.891 ( 10.265 0.000 15.496) 18.588 ======================= Grid point 114 (58/78) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -24.251 0.000 26.463) 35.894 1.562 ( -14.297 0.000 25.995) 29.667 2.162 ( 1.229 0.000 7.563) 7.662 2.292 ( -13.889 0.000 8.260) 16.160 2.400 ( -13.054 0.000 2.730) 13.337 2.708 ( 6.649 0.000 -0.817) 6.699 2.748 ( -5.064 0.000 14.883) 15.721 2.958 ( -26.484 0.000 57.740) 63.525 2.978 ( -4.872 0.000 -18.287) 18.925 3.012 ( -9.354 0.000 0.196) 9.356 3.585 ( -4.283 0.000 9.830) 10.722 3.642 ( -17.892 0.000 -2.942) 18.132 3.757 ( -10.239 0.000 -7.387) 12.626 3.954 ( -4.936 0.000 -8.888) 10.166 4.096 ( -6.098 0.000 -5.343) 8.107 4.156 ( -6.465 0.000 1.101) 6.558 4.342 ( 0.627 0.000 -7.376) 7.403 4.762 ( 4.441 0.000 13.135) 13.866 4.798 ( 7.170 0.000 8.056) 10.784 4.996 ( -4.686 0.000 10.244) 11.264 5.152 ( 0.754 0.000 -11.442) 11.467 5.178 ( 2.775 0.000 7.865) 8.340 5.322 ( -10.113 0.000 -4.901) 11.238 5.824 ( -1.817 0.000 7.008) 7.240 5.880 ( 1.710 0.000 -7.820) 8.005 5.937 ( 1.014 0.000 -9.219) 9.274 6.009 ( -0.911 0.000 -13.494) 13.525 6.240 ( -3.688 0.000 -23.095) 23.388 6.289 ( 2.900 0.000 11.226) 11.594 6.551 ( -2.123 0.000 6.237) 6.589 6.585 ( -20.465 0.000 -11.154) 23.307 6.766 ( -4.980 0.000 17.522) 18.216 6.905 ( -13.576 0.000 3.917) 14.129 7.084 ( -9.687 0.000 -4.943) 10.875 7.219 ( 4.355 0.000 -13.417) 14.106 7.319 ( 11.581 0.000 -15.515) 19.361 7.362 ( -8.339 0.000 8.009) 11.562 7.617 ( 4.300 0.000 14.485) 15.110 7.765 ( 8.585 0.000 -28.033) 29.318 7.961 ( -3.762 0.000 16.054) 16.489 8.149 ( 6.485 0.000 18.493) 19.597 8.268 ( -0.150 0.000 -6.021) 6.022 8.409 ( -6.050 0.000 22.192) 23.002 8.474 ( 2.730 0.000 -21.752) 21.923 8.768 ( 3.406 0.000 8.086) 8.774 8.888 ( 15.154 0.000 -12.096) 19.390 9.307 ( -3.870 0.000 -19.140) 19.528 9.388 ( 9.588 0.000 -3.735) 10.290 9.603 ( -11.179 0.000 14.588) 18.379 9.617 ( -10.402 0.000 -2.726) 10.753 9.755 ( -8.214 0.000 -18.126) 19.900 10.116 ( -5.451 0.000 4.324) 6.957 10.264 ( -2.806 0.000 3.916) 4.818 10.498 ( -3.501 0.000 -3.284) 4.800 10.590 ( 0.509 0.000 1.289) 1.386 10.660 ( -1.510 0.000 0.311) 1.542 10.740 ( -4.540 0.000 -15.608) 16.255 10.781 ( 7.026 0.000 -1.839) 7.262 10.974 ( 12.967 0.000 -3.825) 13.520 11.212 ( -0.856 0.000 10.533) 10.568 11.264 ( -2.657 0.000 2.174) 3.433 11.501 ( -5.243 0.000 8.866) 10.300 11.673 ( 6.464 0.000 -9.984) 11.894 11.927 ( 1.057 0.000 -6.330) 6.418 11.952 ( -11.864 0.000 -1.200) 11.924 12.065 ( 3.384 0.000 5.360) 6.339 12.240 ( 10.742 0.000 -5.267) 11.964 12.280 ( -1.530 0.000 9.655) 9.775 12.302 ( 13.510 0.000 4.683) 14.299 12.457 ( -4.917 0.000 10.813) 11.878 12.649 ( -14.180 0.000 -1.068) 14.220 12.801 ( -2.584 0.000 6.552) 7.043 12.958 ( 9.236 0.000 -0.878) 9.278 13.105 ( -9.103 0.000 -8.675) 12.574 13.122 ( -0.770 0.000 7.346) 7.386 13.557 ( -6.241 0.000 2.644) 6.778 13.585 ( 7.587 0.000 -1.058) 7.660 13.880 ( -2.900 0.000 -0.589) 2.960 13.966 ( -1.081 0.000 0.290) 1.120 14.078 ( 1.153 0.000 -1.866) 2.193 14.144 ( -1.934 0.000 -6.512) 6.793 14.536 ( 3.088 0.000 -19.203) 19.450 15.180 ( 5.173 0.000 5.291) 7.400 15.354 ( 8.926 0.000 7.828) 11.872 15.596 ( 1.345 0.000 -2.751) 3.062 15.670 ( 7.562 0.000 -1.061) 7.636 15.813 ( -0.705 0.000 -4.359) 4.416 15.818 ( -6.641 0.000 7.235) 9.821 16.090 ( -5.444 0.000 -0.614) 5.478 16.200 ( 4.934 0.000 26.374) 26.832 16.318 ( -8.210 0.000 -7.373) 11.035 16.971 ( 4.936 0.000 1.337) 5.114 17.009 ( 3.087 0.000 3.413) 4.602 17.308 ( 9.798 0.000 -22.818) 24.833 17.433 ( 12.405 0.000 27.979) 30.605 18.758 ( 10.232 0.000 -20.010) 22.474 19.966 ( 0.728 0.000 4.313) 4.374 20.172 ( 4.895 0.000 -1.938) 5.265 20.231 ( -7.193 0.000 7.285) 10.237 20.371 ( 4.471 0.000 -6.637) 8.002 20.398 ( 3.568 0.000 -0.611) 3.620 20.561 ( 4.175 0.000 -3.974) 5.765 20.566 ( -4.990 0.000 8.236) 9.630 20.677 ( -2.133 0.000 -2.828) 3.542 20.802 ( 1.449 0.000 1.431) 2.036 20.970 ( -2.548 0.000 -5.771) 6.309 20.982 ( -2.053 0.000 4.426) 4.879 21.233 ( 1.233 0.000 -10.305) 10.378 21.455 ( 0.954 0.000 -3.215) 3.354 21.533 ( 0.619 0.000 -6.372) 6.402 21.618 ( -0.452 0.000 0.922) 1.027 21.696 ( 7.677 0.000 -0.029) 7.677 21.733 ( 1.105 0.000 7.854) 7.931 21.821 ( -2.663 0.000 -4.027) 4.828 21.838 ( -2.196 0.000 5.871) 6.268 21.880 ( 4.072 0.000 -1.584) 4.370 22.245 ( 8.111 0.000 -7.996) 11.390 22.327 ( 5.613 0.000 -1.635) 5.846 22.758 ( 6.908 0.000 6.529) 9.505 22.907 ( 5.958 0.000 5.532) 8.131 22.984 ( 4.046 0.000 4.595) 6.122 23.137 ( 0.416 0.000 -4.537) 4.556 23.214 ( -10.910 0.000 0.744) 10.935 23.409 ( -3.874 0.000 9.909) 10.639 23.587 ( -22.519 0.000 6.745) 23.508 24.104 ( -7.995 0.000 -10.528) 13.219 24.496 ( -0.105 0.000 0.464) 0.476 24.615 ( -2.890 0.000 -1.028) 3.068 24.636 ( -3.337 0.000 2.293) 4.048 24.940 ( -4.689 0.000 -6.128) 7.716 24.994 ( 7.398 0.000 6.853) 10.084 25.070 ( -0.386 0.000 1.061) 1.129 25.207 ( -5.089 0.000 3.370) 6.104 25.402 ( 0.299 0.000 -6.540) 6.547 25.707 ( 3.364 0.000 0.046) 3.364 25.760 ( 1.894 0.000 -0.422) 1.940 26.035 ( -1.122 0.000 1.159) 1.613 26.042 ( 0.608 0.000 -0.072) 0.612 26.147 ( 1.826 0.000 3.549) 3.992 26.299 ( 0.204 0.000 5.869) 5.873 26.408 ( -5.189 0.000 3.086) 6.038 26.461 ( 3.478 0.000 2.273) 4.155 26.559 ( 7.494 0.000 -6.002) 9.601 26.784 ( -5.321 0.000 -5.185) 7.430 26.794 ( -1.636 0.000 -2.714) 3.169 26.886 ( -1.416 0.000 -4.631) 4.843 26.990 ( -1.429 0.000 4.524) 4.744 26.991 ( -6.319 0.000 -4.454) 7.731 27.201 ( -12.967 0.000 -0.586) 12.980 27.398 ( -12.745 0.000 3.350) 13.178 27.759 ( 8.089 0.000 -7.735) 11.192 27.780 ( -4.443 0.000 6.668) 8.013 28.908 ( -7.835 0.000 18.627) 20.208 29.385 ( 6.055 0.000 -14.206) 15.442 29.765 ( 12.692 0.000 -3.141) 13.075 30.106 ( 2.768 0.000 -0.813) 2.885 ======================= Grid point 115 (59/78) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -6.305 7.066 19.594) 21.762 1.851 ( 1.928 -3.128 -9.178) 9.886 2.057 ( 0.432 20.062 32.752) 38.410 2.272 ( 2.856 -1.286 6.234) 6.976 2.488 ( -6.783 -7.959 -6.374) 12.247 2.636 ( -8.266 16.361 -9.958) 20.861 2.908 ( 1.835 4.002 -3.218) 5.454 2.921 ( 9.602 5.064 -0.646) 10.875 3.047 ( 1.733 5.244 7.925) 9.660 3.338 ( 3.762 6.633 -14.989) 16.817 3.603 ( -3.708 0.011 5.535) 6.662 3.636 ( 4.305 7.441 12.788) 15.409 3.813 ( 1.374 -3.019 0.717) 3.394 3.826 ( -6.177 8.334 32.275) 33.901 3.868 ( -2.993 -1.939 3.515) 5.007 4.217 ( 0.235 -2.501 -7.138) 7.567 4.392 ( 4.067 16.459 8.390) 18.917 4.875 ( -1.709 -1.978 6.254) 6.779 4.979 ( 5.058 -5.093 1.777) 7.394 4.987 ( 5.493 -3.643 9.327) 11.421 5.105 ( -3.577 2.719 0.141) 4.495 5.137 ( -0.157 4.702 -8.009) 9.289 5.246 ( -5.006 3.801 -12.671) 14.145 5.520 ( -4.711 -8.851 -25.713) 27.599 5.770 ( -1.251 0.091 5.292) 5.438 5.861 ( 0.814 3.183 -5.616) 6.506 6.046 ( 7.613 -0.913 1.129) 7.751 6.097 ( -6.387 -3.508 -3.052) 7.900 6.247 ( 0.486 -0.452 1.764) 1.885 6.354 ( -1.059 2.664 -8.061) 8.556 6.689 ( -2.593 -0.541 15.299) 15.527 6.836 ( 1.057 0.743 6.072) 6.208 6.875 ( 0.229 -5.108 24.937) 25.456 6.952 ( -2.925 0.136 -1.861) 3.469 7.196 ( 8.791 1.982 -20.187) 22.107 7.230 ( -9.860 2.389 8.773) 13.412 7.410 ( 5.076 4.177 -11.123) 12.920 7.530 ( 2.527 -3.354 -31.205) 31.486 7.897 ( -1.953 6.346 17.172) 18.411 7.955 ( -2.352 -8.872 11.670) 14.847 8.153 ( 4.402 -8.976 -4.514) 10.969 8.316 ( -0.385 1.936 -16.479) 16.597 8.498 ( 7.957 -0.415 20.657) 22.141 8.615 ( -1.729 1.880 19.933) 20.096 8.827 ( -3.174 -3.079 4.678) 6.438 8.971 ( -7.356 -3.717 -19.068) 20.773 9.046 ( 6.171 1.176 -13.896) 15.250 9.138 ( -3.782 -9.597 -19.109) 21.715 9.483 ( -2.839 6.399 2.539) 7.447 9.581 ( 5.455 8.890 -4.908) 11.527 9.801 ( 1.450 -2.781 11.581) 11.998 10.005 ( -0.688 -7.755 -6.757) 10.308 10.202 ( -5.990 -10.876 0.373) 12.422 10.236 ( -0.662 -7.316 -2.797) 7.860 10.445 ( 5.168 -1.836 1.389) 5.657 10.529 ( 2.076 -4.355 -7.553) 8.963 10.748 ( -0.169 -3.828 1.819) 4.241 10.776 ( 0.127 -0.671 -1.113) 1.306 11.100 ( -1.440 2.531 1.126) 3.122 11.171 ( -1.079 1.261 -3.316) 3.708 11.363 ( 7.655 -1.001 8.837) 11.734 11.472 ( -5.483 6.304 -2.801) 8.812 11.666 ( -14.563 0.202 5.568) 15.592 11.779 ( 6.631 -1.987 -5.030) 8.557 11.872 ( 0.389 -4.369 5.592) 7.107 12.129 ( -3.089 -5.078 -14.041) 15.247 12.258 ( 4.726 2.021 1.206) 5.280 12.308 ( -1.728 -3.215 -1.637) 4.001 12.439 ( 0.044 -0.375 9.445) 9.453 12.514 ( 3.062 -0.424 4.511) 5.468 12.709 ( 3.516 2.557 10.155) 11.046 12.840 ( -1.466 -2.016 -2.962) 3.871 12.982 ( 3.584 12.000 7.610) 14.654 13.093 ( -5.566 5.202 -2.148) 7.915 13.355 ( 1.931 6.727 5.675) 9.010 13.494 ( -1.718 -1.624 -5.781) 6.246 13.657 ( -3.746 -0.579 1.437) 4.053 13.723 ( 5.426 1.405 -5.123) 7.594 14.004 ( 1.773 -1.608 2.949) 3.798 14.099 ( -0.064 3.334 -6.208) 7.047 14.194 ( -2.771 9.332 7.576) 12.335 14.483 ( 2.067 8.470 -18.512) 20.463 15.321 ( 6.767 -1.066 5.830) 8.995 15.426 ( -6.122 -1.878 -4.307) 7.718 15.608 ( 4.056 0.592 3.720) 5.536 15.676 ( -2.660 -4.280 -2.317) 5.547 15.725 ( -5.729 -0.921 4.112) 7.112 15.768 ( 0.034 0.016 -0.159) 0.163 16.023 ( -0.100 -10.774 5.421) 12.062 16.131 ( 1.455 -4.683 -5.671) 7.498 16.401 ( 1.778 -6.708 9.140) 11.475 16.549 ( -0.346 -23.247 -4.867) 23.753 17.249 ( 1.456 14.612 14.523) 20.653 17.592 ( -0.458 22.392 -18.974) 29.354 17.866 ( 4.518 -3.681 32.918) 33.430 18.486 ( -5.502 -6.090 -28.506) 29.663 20.091 ( 3.342 2.969 5.257) 6.901 20.187 ( -1.850 0.953 -2.097) 2.955 20.204 ( -4.036 0.273 4.803) 6.280 20.314 ( 3.418 -3.123 -2.954) 5.492 20.470 ( 0.478 0.571 0.660) 0.995 20.521 ( -2.765 1.836 -3.365) 4.726 20.610 ( -4.597 2.269 5.536) 7.545 20.719 ( 6.119 -0.630 -3.997) 7.336 20.858 ( -0.214 4.023 -0.187) 4.033 20.889 ( -1.570 0.562 -3.071) 3.495 21.046 ( -0.339 1.875 0.424) 1.952 21.135 ( 0.122 -1.083 -7.499) 7.578 21.436 ( 0.116 1.583 1.739) 2.355 21.513 ( -0.100 2.004 -5.336) 5.701 21.628 ( -1.765 -1.429 2.394) 3.300 21.689 ( 1.332 -1.688 -3.365) 3.993 21.838 ( 0.339 4.427 2.736) 5.215 21.848 ( -2.790 3.660 5.683) 7.313 21.904 ( 1.282 1.349 -3.178) 3.683 21.994 ( 4.602 6.197 -7.363) 10.667 22.304 ( 3.046 0.275 -0.147) 3.062 22.345 ( -2.587 1.421 -3.776) 4.793 22.850 ( -1.806 -4.224 4.046) 6.122 22.891 ( 0.767 -1.748 -0.354) 1.941 23.029 ( -4.504 -0.478 3.086) 5.481 23.091 ( 5.341 -1.751 -2.480) 6.144 23.255 ( -10.272 -4.009 1.249) 11.097 23.275 ( 12.932 -3.521 -0.520) 13.413 23.635 ( 2.406 8.222 16.029) 18.175 23.911 ( -3.077 2.579 -11.024) 11.732 24.486 ( -0.716 -1.859 3.622) 4.134 24.533 ( -1.135 -2.486 -1.141) 2.961 24.709 ( 3.121 2.510 6.734) 7.835 24.831 ( -3.138 1.924 -5.716) 6.799 25.078 ( 1.893 -1.041 1.235) 2.489 25.098 ( 0.865 -0.997 -0.689) 1.489 25.245 ( 1.463 0.698 5.063) 5.316 25.360 ( 0.594 2.259 -6.814) 7.203 25.727 ( -4.295 -9.843 6.006) 12.304 25.792 ( 1.442 -0.418 -1.845) 2.378 25.942 ( -0.293 1.332 4.508) 4.709 26.009 ( 0.575 0.138 -1.832) 1.925 26.224 ( 0.375 1.025 4.800) 4.923 26.301 ( -2.200 -1.367 1.359) 2.925 26.355 ( -2.589 -0.585 3.205) 4.162 26.510 ( 3.724 -3.084 -7.244) 8.709 26.597 ( 5.318 -3.398 -0.362) 6.322 26.632 ( -3.459 -1.704 -3.393) 5.136 26.753 ( 1.279 3.454 0.642) 3.739 26.791 ( -5.674 2.125 -2.569) 6.580 26.975 ( 1.526 -1.516 2.074) 2.988 27.006 ( -0.037 0.607 -1.521) 1.638 27.208 ( 2.248 -0.279 -0.214) 2.276 27.227 ( 0.518 -0.972 -2.298) 2.548 27.710 ( -3.845 -1.748 4.604) 6.248 27.827 ( 7.210 -2.012 -7.519) 10.610 29.032 ( -6.487 5.248 18.730) 20.505 29.339 ( 3.336 0.864 -11.436) 11.944 29.790 ( -5.736 -7.849 9.549) 13.627 29.965 ( 2.053 -3.764 -8.539) 9.555 ======================= Grid point 116 (60/78) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -5.527 -5.585 11.614) 14.022 1.872 ( 9.053 3.315 -4.648) 10.703 2.224 ( -0.823 -4.891 -0.801) 5.024 2.415 ( 5.161 7.142 -17.709) 19.780 2.554 ( 15.275 9.884 28.492) 33.805 2.607 ( 7.798 2.845 7.612) 11.262 2.896 ( 5.968 1.275 -7.222) 9.455 3.068 ( 11.286 11.943 -10.156) 19.318 3.247 ( 10.207 3.553 -3.770) 11.447 3.325 ( 14.278 6.130 -4.331) 16.131 3.616 ( -1.896 1.526 -2.093) 3.210 3.701 ( 3.844 3.094 1.242) 5.088 3.831 ( 3.026 1.487 -1.612) 3.737 3.943 ( 8.363 -2.536 4.069) 9.640 4.110 ( 3.477 -0.979 13.198) 13.683 4.227 ( 4.767 1.951 0.655) 5.192 4.682 ( 10.932 12.314 -34.999) 38.679 4.772 ( 8.735 11.369 23.862) 27.838 4.884 ( -8.514 -0.763 -2.266) 8.843 5.000 ( -0.606 -0.145 -9.228) 9.249 5.088 ( -0.550 -0.843 9.077) 9.133 5.182 ( -1.446 0.264 -3.928) 4.194 5.331 ( 9.046 -3.298 -7.477) 12.191 5.426 ( 11.163 -5.098 20.986) 24.311 5.705 ( -7.027 3.483 2.456) 8.218 5.848 ( -0.024 -0.475 0.617) 0.779 5.988 ( -2.442 -1.623 -2.684) 3.975 6.113 ( -6.805 -0.559 -3.958) 7.892 6.348 ( 16.962 -0.905 6.410) 18.156 6.538 ( 17.900 -0.162 -1.219) 17.943 6.726 ( -5.017 0.182 12.226) 13.217 6.908 ( -4.315 6.074 -13.091) 15.063 6.997 ( 10.356 1.053 -1.834) 10.570 7.059 ( 5.760 -2.217 4.887) 7.873 7.151 ( -3.159 -2.936 16.870) 17.412 7.196 ( 0.072 5.511 -7.219) 9.082 7.240 ( 1.935 0.958 -11.193) 11.399 7.451 ( 5.932 -3.980 -7.693) 10.498 7.946 ( -8.502 -0.806 13.463) 15.943 7.988 ( -6.788 0.605 -6.671) 9.536 8.050 ( -4.740 -8.100 -2.674) 9.758 8.212 ( 3.346 0.338 0.460) 3.394 8.480 ( -13.871 -6.594 -14.303) 20.987 8.724 ( -8.217 -0.241 10.256) 13.144 8.845 ( 0.781 -1.583 0.533) 1.844 8.897 ( 6.115 1.281 -0.925) 6.315 8.984 ( 4.443 -0.368 -3.286) 5.538 9.070 ( 6.846 -2.815 7.371) 10.446 9.564 ( 9.074 5.044 1.789) 10.535 9.716 ( 9.193 8.438 -1.947) 12.629 9.885 ( 1.325 -7.930 -10.545) 13.260 9.990 ( 7.888 -12.840 5.694) 16.109 10.162 ( -4.332 -9.229 5.910) 11.785 10.320 ( 7.474 -10.210 3.762) 13.200 10.401 ( -0.558 -1.246 -5.414) 5.583 10.540 ( 3.531 -3.272 -4.920) 6.883 10.730 ( -3.924 0.438 1.264) 4.146 10.762 ( -0.652 -1.396 -1.602) 2.223 11.110 ( 0.041 5.573 -2.237) 6.006 11.236 ( 7.947 0.351 2.878) 8.459 11.302 ( -7.549 -1.320 -5.065) 9.186 11.419 ( -7.607 0.936 8.352) 11.336 11.678 ( 5.333 2.999 8.807) 10.724 11.847 ( -1.547 -3.921 1.490) 4.471 11.919 ( -0.649 -1.354 -4.453) 4.699 11.946 ( -1.903 -3.393 4.375) 5.855 12.260 ( -1.902 -0.672 -4.122) 4.589 12.362 ( 3.492 -0.679 2.721) 4.479 12.467 ( -1.174 1.643 -4.081) 4.553 12.563 ( 1.664 3.945 0.465) 4.307 12.755 ( -0.902 5.311 -8.054) 9.690 12.779 ( 0.220 -4.086 3.570) 5.430 13.005 ( -3.417 -0.931 -2.929) 4.596 13.174 ( 9.682 13.562 5.378) 17.509 13.374 ( -3.126 3.340 -7.670) 8.930 13.429 ( -0.569 -0.781 8.366) 8.421 13.616 ( -1.304 1.604 -0.926) 2.265 13.759 ( 2.495 0.947 -1.064) 2.873 13.999 ( -1.255 -3.544 -2.684) 4.619 14.104 ( 3.462 3.344 0.046) 4.814 14.273 ( -1.675 9.641 12.936) 16.220 14.329 ( -0.981 9.093 -12.368) 15.382 15.278 ( -3.012 -0.199 -5.212) 6.023 15.459 ( 0.975 -2.782 2.059) 3.596 15.554 ( -6.818 1.614 -1.903) 7.261 15.636 ( -8.202 1.634 4.709) 9.598 15.690 ( 1.386 -3.768 1.140) 4.174 15.846 ( 5.151 -1.808 3.387) 6.424 16.079 ( 1.673 -10.273 1.723) 10.550 16.146 ( 4.539 -13.286 -2.673) 14.292 16.450 ( -2.043 -11.604 -7.318) 13.870 16.477 ( -2.123 -13.387 5.366) 14.578 17.318 ( -8.972 18.521 -13.603) 24.670 17.366 ( -5.798 18.404 12.204) 22.831 17.998 ( -16.146 -4.151 -31.324) 35.484 18.163 ( -8.426 -6.299 32.357) 34.024 20.102 ( -2.287 2.023 -5.298) 6.115 20.155 ( -3.395 3.980 3.154) 6.109 20.215 ( 0.290 -0.843 4.371) 4.461 20.343 ( 3.909 -1.336 -3.417) 5.361 20.399 ( -5.582 1.517 0.616) 5.818 20.512 ( -1.946 2.258 2.923) 4.174 20.617 ( 0.377 -2.486 1.468) 2.911 20.741 ( 1.160 -1.984 -4.310) 4.885 20.868 ( -0.328 3.187 -0.523) 3.246 20.893 ( 3.444 4.309 3.344) 6.451 21.070 ( 0.840 -0.118 3.084) 3.199 21.094 ( 1.747 0.022 -2.730) 3.241 21.416 ( -3.899 1.540 0.859) 4.279 21.453 ( -2.309 1.735 0.055) 2.889 21.614 ( -2.868 -2.201 1.679) 3.986 21.710 ( 2.310 -0.706 -1.334) 2.760 21.773 ( -6.458 4.499 0.671) 7.900 21.850 ( -1.220 4.480 1.786) 4.975 21.913 ( 1.505 0.729 -1.644) 2.345 21.998 ( 2.651 1.012 -4.694) 5.485 22.201 ( -6.678 4.877 -2.719) 8.705 22.302 ( -5.119 0.463 1.030) 5.243 22.780 ( -6.768 -3.507 0.714) 7.657 22.825 ( -12.882 -11.492 2.366) 17.424 23.048 ( 7.907 2.679 -3.231) 8.951 23.122 ( -0.066 1.318 -1.519) 2.012 23.273 ( 12.286 -0.968 -4.108) 12.991 23.495 ( 8.103 -3.691 0.862) 8.945 23.795 ( 7.105 3.968 -2.837) 8.618 23.912 ( 11.333 4.618 4.521) 13.047 24.505 ( -0.251 -1.408 -0.207) 1.445 24.542 ( 2.077 -1.709 3.081) 4.089 24.732 ( -0.958 2.036 -5.405) 5.855 24.845 ( 4.987 2.314 5.324) 7.653 25.056 ( -1.046 -0.851 -3.006) 3.295 25.110 ( 0.144 1.574 -0.007) 1.581 25.309 ( 1.374 -0.061 1.097) 1.759 25.336 ( 3.849 2.565 -4.353) 6.351 25.699 ( -4.487 -4.918 4.653) 8.122 25.793 ( -0.181 0.556 -0.968) 1.131 25.955 ( -0.031 0.223 0.448) 0.502 26.049 ( 4.213 -0.999 -0.863) 4.415 26.243 ( -1.224 0.690 -1.851) 2.324 26.267 ( -3.522 -2.307 4.450) 6.126 26.356 ( -0.448 -0.951 3.082) 3.256 26.501 ( 2.737 -3.442 -5.719) 7.214 26.561 ( -1.128 1.123 -3.566) 3.905 26.667 ( 2.134 -2.701 3.169) 4.679 26.741 ( 2.459 -0.081 0.017) 2.460 26.855 ( 3.795 2.577 4.534) 6.450 26.932 ( -0.307 0.675 0.098) 0.748 27.090 ( -0.922 -0.850 -4.872) 5.030 27.171 ( 8.945 -2.618 0.906) 9.364 27.382 ( 8.152 -6.807 0.107) 10.621 27.687 ( 0.585 3.006 0.045) 3.063 27.885 ( 7.938 -2.852 -7.873) 11.538 29.099 ( -6.456 3.776 17.573) 19.099 29.278 ( 3.217 2.567 -11.966) 12.654 29.660 ( -14.839 -1.828 6.389) 16.259 29.976 ( 1.549 -6.980 -1.246) 7.258 ======================= Grid point 117 (61/78) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -10.578 -8.113 6.678) 14.910 2.015 ( 5.264 3.019 6.251) 8.712 2.302 ( -1.220 -0.344 -4.775) 4.941 2.360 ( 16.870 -1.818 -11.738) 20.632 2.768 ( 5.876 1.763 0.540) 6.158 2.907 ( 0.020 -2.573 -4.419) 5.114 3.031 ( 19.073 8.744 0.012) 20.981 3.178 ( 11.103 15.130 -16.039) 24.687 3.334 ( 17.623 5.705 -9.009) 20.598 3.506 ( 2.376 1.685 -3.278) 4.385 3.673 ( 15.373 -0.563 6.869) 16.847 3.791 ( 2.150 2.514 6.031) 6.879 4.013 ( 12.090 4.795 10.057) 16.441 4.172 ( 12.266 -2.588 5.490) 13.685 4.241 ( 5.351 0.029 1.394) 5.530 4.349 ( 4.164 5.478 6.093) 9.191 4.640 ( 13.150 3.181 -23.979) 27.533 4.653 ( 3.099 2.371 -13.973) 14.508 4.859 ( 1.589 -1.505 -9.726) 9.969 5.051 ( 0.585 0.224 5.873) 5.906 5.090 ( -0.409 1.178 -3.240) 3.471 5.343 ( -0.676 10.700 -7.676) 13.186 5.370 ( 7.035 -1.197 13.854) 15.584 5.716 ( -2.008 -1.715 4.481) 5.201 5.776 ( 2.704 -3.313 15.915) 16.480 5.817 ( 0.950 -1.801 -1.911) 2.793 5.967 ( -4.511 -2.386 -2.948) 5.893 6.029 ( 4.900 -3.204 10.785) 12.272 6.494 ( -2.887 9.269 -9.017) 13.249 6.676 ( -8.081 6.101 18.868) 21.413 6.781 ( 9.658 0.782 -3.784) 10.402 6.901 ( -2.918 -2.337 -1.899) 4.193 7.031 ( 9.123 0.336 3.987) 9.961 7.063 ( -0.343 1.407 -8.352) 8.477 7.276 ( 16.672 -1.212 -7.137) 18.176 7.320 ( 1.052 -3.823 14.329) 14.868 7.404 ( 7.698 0.251 -2.666) 8.150 7.568 ( 17.599 0.193 5.671) 18.491 7.727 ( 2.869 -4.354 -10.036) 11.309 7.946 ( -6.834 -5.429 10.805) 13.890 8.086 ( -4.834 -10.462 -5.517) 12.777 8.181 ( -1.468 -0.470 2.862) 3.251 8.249 ( -3.111 3.044 4.877) 6.537 8.675 ( -2.870 0.496 4.624) 5.465 8.800 ( 6.660 -0.365 -18.132) 19.320 8.889 ( 10.143 -1.467 -14.899) 18.083 9.215 ( 2.338 0.352 14.263) 14.458 9.232 ( 2.295 1.308 8.431) 8.835 9.729 ( 2.336 4.345 6.447) 8.118 9.791 ( 3.807 6.805 2.562) 8.208 9.904 ( 13.142 -1.127 -14.280) 19.440 10.103 ( -4.427 -5.206 8.776) 11.122 10.165 ( 1.192 -19.324 2.911) 19.578 10.386 ( -1.515 -7.754 0.077) 7.901 10.533 ( 10.679 0.165 2.117) 10.888 10.583 ( 9.856 -9.076 -6.353) 14.828 10.642 ( -2.266 3.525 -2.870) 5.079 10.748 ( -1.532 1.543 1.727) 2.777 11.065 ( -1.474 2.261 -4.448) 5.203 11.143 ( -7.230 -4.728 1.858) 8.836 11.285 ( 0.876 0.500 0.552) 1.150 11.521 ( 4.173 -3.592 2.030) 5.868 11.697 ( -4.987 2.033 -1.087) 5.494 11.836 ( 0.864 -0.169 6.953) 7.009 11.943 ( -2.316 5.683 6.257) 8.764 12.027 ( 2.863 -5.577 3.555) 7.206 12.154 ( -6.189 1.399 -5.950) 8.698 12.240 ( -5.430 3.777 -5.833) 8.819 12.529 ( 4.722 -0.120 -1.040) 4.837 12.619 ( -6.494 -1.882 1.233) 6.872 12.646 ( 7.494 5.030 -6.600) 11.182 12.886 ( 10.885 -4.728 -2.006) 12.036 12.922 ( 0.217 2.191 -4.650) 5.145 13.235 ( -2.124 8.938 -7.303) 11.736 13.347 ( 7.417 3.134 -2.227) 8.354 13.537 ( 4.237 2.986 7.274) 8.932 13.627 ( 0.774 0.843 5.082) 5.210 13.786 ( -1.209 0.117 0.978) 1.559 13.974 ( 1.356 -4.437 -1.439) 4.857 14.089 ( -0.289 3.980 -5.302) 6.636 14.287 ( -0.292 4.672 0.339) 4.693 14.415 ( 3.835 12.435 18.844) 22.901 15.215 ( 1.124 -0.329 -8.082) 8.166 15.339 ( -8.558 0.840 -7.066) 11.130 15.429 ( -9.204 0.191 1.317) 9.300 15.540 ( -6.804 0.764 1.412) 6.991 15.715 ( -0.988 -5.020 2.980) 5.921 15.886 ( -4.322 -6.497 -5.673) 9.648 16.093 ( -1.870 -14.144 -6.907) 15.851 16.187 ( 5.189 -9.875 8.220) 13.857 16.435 ( 1.417 -1.008 2.793) 3.290 16.486 ( 2.519 -11.408 -0.568) 11.696 17.005 ( -10.999 9.582 -11.406) 18.518 17.305 ( -15.756 10.186 -7.571) 20.232 17.446 ( -15.798 6.121 -6.556) 18.167 18.179 ( -22.060 -6.458 24.860) 33.858 20.025 ( -1.760 2.410 -3.365) 4.498 20.083 ( -6.843 2.432 0.588) 7.286 20.215 ( -3.368 -0.836 1.732) 3.879 20.333 ( -2.167 1.714 1.037) 2.951 20.391 ( 2.685 -0.190 0.817) 2.813 20.491 ( -2.290 1.846 1.603) 3.350 20.637 ( -3.066 -5.534 1.404) 6.481 20.678 ( -2.516 -1.465 -1.616) 3.329 20.820 ( -2.471 4.740 -2.927) 6.094 21.001 ( 3.004 6.273 4.080) 8.063 21.105 ( 3.454 -0.263 -1.999) 3.999 21.160 ( 0.250 2.772 5.918) 6.540 21.369 ( -1.076 -1.316 -0.238) 1.717 21.439 ( -2.100 -1.214 4.704) 5.293 21.539 ( -5.429 1.499 0.738) 5.680 21.715 ( 0.457 1.075 -0.593) 1.310 21.719 ( -2.600 2.725 2.785) 4.684 21.872 ( 0.722 1.548 -0.310) 1.736 21.895 ( 3.084 0.143 -6.654) 7.336 22.012 ( -2.066 -0.123 5.813) 6.170 22.096 ( -0.362 3.505 -6.400) 7.306 22.207 ( -6.245 3.137 1.436) 7.135 22.602 ( -11.481 -8.224 -0.588) 14.135 22.634 ( -11.650 -3.905 -0.961) 12.324 23.085 ( 4.161 1.526 -7.342) 8.576 23.155 ( 4.813 -1.365 -2.232) 5.479 23.434 ( 5.568 0.882 -1.533) 5.842 23.555 ( 5.043 3.544 -0.282) 6.170 24.018 ( 18.629 -2.615 -2.371) 18.960 24.174 ( 12.014 0.725 5.719) 13.325 24.498 ( -0.245 0.561 0.056) 0.615 24.619 ( 2.346 -2.337 3.557) 4.859 24.713 ( 3.628 2.092 -3.073) 5.194 24.932 ( 2.980 -2.710 -2.527) 4.756 25.045 ( 1.778 3.511 0.063) 3.937 25.122 ( 1.801 3.357 0.674) 3.869 25.329 ( -1.799 -0.021 4.591) 4.931 25.402 ( 8.238 3.143 -4.307) 9.813 25.668 ( -3.821 0.524 3.311) 5.083 25.772 ( -0.810 2.929 -0.765) 3.134 25.987 ( 3.571 -2.022 0.166) 4.107 26.097 ( 3.229 1.856 -2.111) 4.281 26.192 ( -1.176 0.371 -2.242) 2.558 26.245 ( -0.498 -4.856 -1.413) 5.082 26.405 ( 1.777 -1.031 2.360) 3.129 26.484 ( -0.473 1.117 -2.283) 2.585 26.523 ( 3.041 -1.988 -6.320) 7.289 26.722 ( -0.819 -0.639 5.391) 5.490 26.805 ( 1.486 -1.839 1.386) 2.741 26.908 ( 0.088 1.313 0.896) 1.592 26.964 ( 0.632 -5.111 3.058) 5.990 27.085 ( 4.740 0.033 -2.517) 5.367 27.325 ( 5.570 -3.677 4.052) 7.808 27.477 ( 1.066 -6.014 6.861) 9.186 27.779 ( 12.719 3.673 -6.363) 14.688 27.944 ( 8.974 -2.148 -9.121) 12.975 29.142 ( -7.106 2.170 14.819) 16.577 29.230 ( 3.762 2.032 -10.039) 10.912 29.477 ( -12.407 2.543 4.578) 13.467 29.939 ( -3.762 -7.901 -2.874) 9.211 ======================= Grid point 118 (62/78) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.000 -3.430 13.577) 14.869 2.094 ( -3.276 12.804 -3.171) 13.592 2.224 ( -0.559 -6.189 6.314) 8.859 2.579 ( 15.660 -4.350 -10.805) 19.517 2.762 ( 0.924 -2.656 -8.433) 8.890 2.929 ( 9.213 -1.039 -3.498) 9.910 3.122 ( 10.542 7.343 -18.319) 22.376 3.252 ( 12.168 10.083 -7.549) 17.513 3.562 ( 8.201 -2.364 0.094) 8.535 3.627 ( 7.596 5.893 2.697) 9.985 3.914 ( 7.255 0.751 5.583) 9.185 4.014 ( 13.349 0.934 10.508) 17.015 4.193 ( -4.475 -2.477 4.520) 6.826 4.331 ( 9.589 5.913 1.361) 11.348 4.414 ( -1.252 -2.630 -2.833) 4.063 4.543 ( 9.419 -3.062 1.493) 10.016 4.549 ( 9.065 1.504 12.272) 15.331 4.816 ( 13.357 1.532 -8.682) 16.004 4.848 ( 4.760 2.352 -4.179) 6.757 5.075 ( 4.213 4.384 -8.275) 10.269 5.113 ( 5.003 2.816 2.924) 6.443 5.223 ( -2.256 9.992 -6.712) 12.246 5.511 ( -4.172 -3.337 8.850) 10.337 5.667 ( 3.467 0.777 -5.525) 6.569 5.728 ( -1.123 -4.307 -4.222) 6.135 5.929 ( -2.341 0.911 2.438) 3.500 6.002 ( 2.185 -3.971 14.729) 15.411 6.167 ( 0.057 0.435 6.531) 6.546 6.384 ( -4.264 4.621 2.474) 6.757 6.741 ( -8.543 5.135 15.714) 18.609 6.770 ( 2.656 -1.957 -8.340) 8.968 6.874 ( -0.057 2.137 -7.293) 7.600 6.961 ( -6.382 3.296 19.092) 20.398 7.071 ( -2.759 -6.437 -16.200) 17.649 7.264 ( -7.432 1.965 6.219) 9.887 7.560 ( 10.795 -2.330 6.507) 12.818 7.581 ( 3.969 1.506 2.643) 5.000 7.854 ( 5.419 -8.626 -5.392) 11.526 7.888 ( 4.135 -5.836 6.105) 9.403 7.966 ( 4.548 -9.652 2.534) 10.967 8.047 ( 21.025 -2.158 -4.642) 21.639 8.205 ( -4.522 4.566 1.998) 6.730 8.349 ( 7.914 -6.374 7.318) 12.523 8.736 ( 7.602 3.672 -16.584) 18.610 8.762 ( 11.704 3.400 -2.228) 12.389 9.013 ( 15.646 -3.879 -7.283) 17.689 9.207 ( 0.557 7.548 -2.740) 8.049 9.472 ( 5.740 2.091 14.668) 15.890 9.741 ( 1.835 2.365 1.576) 3.383 9.876 ( -0.073 2.782 -16.324) 16.560 10.014 ( 5.701 -2.106 9.846) 11.571 10.095 ( -4.482 -8.431 7.162) 11.936 10.149 ( -9.210 -0.619 5.445) 10.717 10.322 ( 2.779 -3.168 -4.980) 6.524 10.511 ( -7.303 5.196 -5.329) 10.427 10.685 ( 9.126 0.893 -6.498) 11.239 10.748 ( 6.893 0.562 -7.036) 9.866 10.795 ( 7.033 -8.595 4.486) 11.978 11.053 ( -2.462 -7.612 9.116) 12.129 11.083 ( 1.339 -2.850 -0.813) 3.252 11.327 ( 0.721 0.439 0.903) 1.236 11.559 ( 2.794 1.902 -5.859) 6.764 11.615 ( 0.036 -6.853 -2.713) 7.371 11.858 ( -0.826 3.730 -1.452) 4.087 11.870 ( -10.681 -2.963 -4.285) 11.884 12.013 ( -2.497 -0.999 -3.674) 4.553 12.074 ( -2.111 -0.474 9.316) 9.564 12.177 ( -3.256 6.681 0.658) 7.461 12.460 ( -4.133 7.212 -5.720) 10.090 12.562 ( 1.279 3.908 -1.435) 4.356 12.768 ( 8.240 -3.548 0.823) 9.009 12.969 ( 8.212 0.191 -1.567) 8.362 13.088 ( 13.181 -4.840 -5.237) 14.986 13.183 ( 4.322 3.506 -2.600) 6.142 13.450 ( 5.116 1.485 -1.078) 5.435 13.678 ( 2.263 8.942 2.093) 9.458 13.710 ( 0.974 7.707 3.782) 8.640 13.742 ( 3.828 -8.478 4.647) 10.399 14.041 ( 4.812 -4.681 3.122) 7.404 14.091 ( 3.985 4.673 -1.286) 6.275 14.265 ( -2.316 4.560 2.145) 5.546 14.716 ( 3.734 6.014 15.125) 16.699 14.996 ( -6.221 -2.156 -14.218) 15.669 15.209 ( -6.300 1.297 -0.070) 6.433 15.307 ( -3.268 2.422 -0.540) 4.104 15.445 ( -3.348 -1.638 -1.106) 3.887 15.607 ( -15.448 -7.021 -8.350) 18.912 15.689 ( -6.906 -4.484 1.824) 8.434 16.068 ( 3.253 -2.586 -4.365) 6.026 16.275 ( -6.251 -15.658 5.955) 17.880 16.494 ( 1.423 -4.321 3.140) 5.528 16.553 ( 4.394 -0.195 -1.378) 4.610 16.747 ( -10.123 1.616 -7.151) 12.499 16.823 ( -9.775 -0.641 -17.588) 20.132 17.288 ( -13.851 15.870 8.547) 22.733 17.921 ( -29.858 -4.180 15.399) 33.854 19.960 ( -6.069 1.309 0.108) 6.209 19.982 ( -1.678 1.837 -0.611) 2.562 20.174 ( -3.935 -3.104 3.211) 5.953 20.328 ( -2.592 0.973 2.907) 4.014 20.414 ( -1.621 -2.065 -1.674) 3.114 20.476 ( -2.423 1.400 6.914) 7.459 20.552 ( -2.690 -1.634 -0.118) 3.150 20.670 ( -0.521 1.326 1.381) 1.984 20.763 ( -1.053 3.410 -1.351) 3.816 21.020 ( -4.340 4.826 3.015) 7.156 21.143 ( -1.664 1.564 1.968) 3.015 21.168 ( 2.264 2.761 -1.456) 3.856 21.394 ( 3.354 -2.284 -1.153) 4.218 21.450 ( -2.049 -3.245 4.568) 5.966 21.509 ( 0.762 0.304 -0.561) 0.994 21.686 ( 1.356 2.467 -6.236) 6.842 21.733 ( -4.698 0.486 7.375) 8.758 21.794 ( -0.699 -0.484 -9.587) 9.624 21.935 ( 2.131 3.665 -0.512) 4.270 21.977 ( -4.384 -0.521 -0.243) 4.421 22.083 ( -0.393 -0.181 -0.703) 0.825 22.151 ( 1.037 5.027 -0.872) 5.206 22.403 ( -11.735 -4.821 -2.449) 12.921 22.464 ( -5.455 -2.444 1.684) 6.210 23.141 ( 7.326 -0.041 -0.262) 7.331 23.192 ( 2.323 -3.355 -2.201) 4.636 23.441 ( -1.108 6.095 0.927) 6.264 23.681 ( 6.846 1.316 -0.088) 6.972 24.296 ( 14.580 -3.354 -0.552) 14.971 24.403 ( 8.976 -1.558 4.136) 10.005 24.517 ( 2.665 0.481 1.251) 2.983 24.673 ( 0.923 -3.417 2.531) 4.351 24.779 ( 5.396 3.392 -0.777) 6.421 24.959 ( 3.952 -0.757 -2.819) 4.913 25.060 ( -1.014 2.444 1.793) 3.197 25.149 ( 0.310 1.475 -2.740) 3.127 25.373 ( -0.147 2.212 8.641) 8.921 25.488 ( 6.460 2.521 -5.372) 8.772 25.637 ( -2.673 3.832 1.972) 5.072 25.760 ( 0.446 3.324 -1.071) 3.521 26.056 ( 3.735 0.109 -0.502) 3.770 26.132 ( 3.652 1.700 -1.734) 4.385 26.176 ( 1.592 0.517 -1.958) 2.576 26.242 ( 2.955 -4.766 -2.580) 6.173 26.416 ( 0.297 0.780 -3.653) 3.747 26.449 ( 0.536 0.623 -3.591) 3.684 26.546 ( 2.031 -4.211 -1.347) 4.866 26.741 ( -3.311 0.009 4.578) 5.650 26.789 ( -0.949 1.507 -0.680) 1.906 26.938 ( 1.724 -3.400 0.030) 3.812 26.985 ( -2.345 -7.572 3.733) 8.762 27.098 ( 0.010 -3.062 -3.585) 4.715 27.489 ( 3.224 -1.370 15.062) 15.464 27.578 ( 1.664 -1.870 8.633) 8.988 27.938 ( 13.504 1.227 -8.356) 15.928 28.021 ( 10.681 -1.357 -9.741) 14.520 29.141 ( -7.794 1.166 11.268) 13.750 29.206 ( -0.252 -0.508 -2.177) 2.250 29.348 ( -3.779 5.533 -1.851) 6.951 29.807 ( -4.531 -5.943 -8.805) 11.549 ======================= Grid point 119 (63/78) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -7.375 1.687 14.969) 16.772 1.964 ( -1.762 11.748 -7.975) 14.308 2.327 ( -1.399 -6.374 13.033) 14.576 2.575 ( 6.810 3.033 -10.738) 13.072 2.898 ( 13.917 -11.793 -2.392) 18.398 3.060 ( 5.275 -7.925 0.046) 9.520 3.158 ( 11.360 -0.984 -11.586) 16.256 3.452 ( 15.693 9.584 -1.417) 18.442 3.511 ( -8.432 -2.381 -2.442) 9.095 3.763 ( 1.274 9.766 1.525) 9.966 4.082 ( 5.389 -3.189 0.610) 6.291 4.140 ( -0.979 2.079 2.981) 3.764 4.269 ( 1.341 3.464 2.500) 4.477 4.311 ( 1.899 -0.358 -0.857) 2.114 4.505 ( 8.553 -0.371 -0.943) 8.613 4.603 ( -4.441 7.583 -1.525) 8.919 4.766 ( 1.729 -1.900 8.987) 9.347 4.877 ( 4.161 -0.857 0.565) 4.285 4.906 ( 1.469 1.375 1.349) 2.423 5.083 ( 5.639 5.545 -7.548) 10.933 5.136 ( -1.727 6.265 0.251) 6.503 5.410 ( -14.108 -0.894 6.180) 15.428 5.449 ( 22.664 -0.056 9.065) 24.409 5.691 ( 0.498 -5.998 1.407) 6.181 5.805 ( 10.587 -3.818 -5.423) 12.493 5.919 ( 0.602 4.350 2.665) 5.136 6.128 ( -3.442 -7.318 12.581) 14.956 6.207 ( -3.613 -0.934 7.709) 8.564 6.365 ( -2.113 5.487 2.730) 6.483 6.747 ( -3.025 2.933 6.433) 7.690 6.790 ( 4.353 2.857 4.634) 6.970 6.820 ( 0.671 1.715 -8.061) 8.269 6.958 ( -3.527 3.102 3.921) 6.119 7.060 ( 5.709 -3.364 8.004) 10.391 7.145 ( -10.302 -0.457 3.165) 10.787 7.548 ( -4.619 -2.370 2.339) 5.694 7.684 ( -1.422 1.269 5.259) 5.594 7.855 ( 3.622 -4.359 -7.257) 9.208 7.929 ( -11.476 -5.411 14.163) 19.015 8.018 ( -4.865 -5.202 8.814) 11.332 8.161 ( 9.714 -0.963 -20.647) 22.838 8.422 ( 11.125 -6.070 -7.464) 14.708 8.497 ( 17.738 -3.918 -2.786) 18.378 8.772 ( 6.259 6.088 -7.884) 11.764 8.850 ( 4.118 6.728 -12.560) 14.831 9.173 ( 9.550 -3.913 -0.573) 10.336 9.316 ( 11.080 6.335 -1.077) 12.809 9.613 ( -6.981 2.099 5.702) 9.255 9.667 ( -6.479 1.685 -8.329) 10.686 9.845 ( 5.177 2.379 1.623) 5.924 9.950 ( 1.083 0.577 -1.478) 1.921 10.108 ( 2.767 -3.408 2.751) 5.181 10.239 ( -12.832 3.278 -1.089) 13.289 10.299 ( -0.917 2.735 4.148) 5.052 10.382 ( 9.472 -0.700 3.909) 10.271 10.716 ( -0.292 -1.369 -4.460) 4.674 10.801 ( 5.271 -4.394 -5.645) 8.886 10.912 ( 6.583 -6.779 -1.629) 9.589 11.042 ( -4.682 -3.907 -1.451) 6.269 11.166 ( 2.183 -6.423 5.627) 8.814 11.329 ( -0.694 -0.984 1.403) 1.849 11.513 ( -0.104 -5.748 -9.369) 10.992 11.608 ( -6.314 -8.217 -4.773) 11.409 11.691 ( 6.505 0.197 -3.411) 7.348 11.824 ( -3.490 5.834 -2.181) 7.140 11.935 ( -2.132 1.408 1.522) 2.974 12.089 ( -0.536 1.394 0.293) 1.522 12.132 ( -6.011 1.414 3.762) 7.231 12.412 ( 1.003 14.746 1.767) 14.886 12.578 ( 2.227 7.818 -3.044) 8.680 12.932 ( 6.476 -3.614 4.255) 8.550 13.119 ( 7.430 -1.493 0.939) 7.636 13.166 ( 5.215 -3.315 -3.722) 7.214 13.311 ( 8.903 -0.655 -4.878) 10.173 13.499 ( 3.272 0.027 4.237) 5.353 13.730 ( 7.119 8.925 0.576) 11.431 13.786 ( 0.174 -5.277 2.973) 6.060 13.879 ( 3.224 1.668 0.535) 3.670 14.140 ( -0.178 -2.100 1.845) 2.801 14.175 ( 2.692 0.754 0.017) 2.796 14.313 ( 11.939 5.532 -0.528) 13.169 14.577 ( -5.397 4.307 -3.416) 7.703 15.014 ( -7.215 -2.506 -3.872) 8.564 15.068 ( -4.333 -3.810 4.424) 7.271 15.229 ( -17.766 -1.212 -5.116) 18.528 15.311 ( 2.171 2.663 -1.473) 3.738 15.478 ( -2.168 -2.994 -1.201) 3.886 15.553 ( -3.805 -3.823 11.210) 12.440 15.984 ( -8.041 -1.530 -9.626) 12.635 16.214 ( 1.200 -8.179 1.522) 8.405 16.374 ( -5.802 -8.638 -7.720) 12.957 16.512 ( -5.405 3.100 -4.170) 7.497 16.675 ( 2.639 -1.887 1.908) 3.763 16.824 ( 10.617 -0.048 3.649) 11.227 17.114 ( -11.876 12.211 1.660) 17.115 17.527 ( -27.400 -1.665 6.643) 28.243 19.897 ( -2.252 1.228 2.528) 3.601 19.970 ( -0.454 0.884 0.787) 1.268 20.144 ( -3.547 -4.194 3.735) 6.642 20.250 ( -5.482 -3.372 -0.312) 6.444 20.403 ( -0.637 2.159 2.322) 3.234 20.480 ( -2.684 1.269 1.706) 3.425 20.562 ( -0.499 2.753 6.099) 6.710 20.713 ( 3.402 1.677 3.880) 5.426 20.764 ( 1.070 1.561 0.774) 2.045 20.977 ( -3.833 4.567 4.718) 7.604 21.110 ( -2.053 -0.279 0.024) 2.072 21.211 ( 2.823 0.072 -0.693) 2.907 21.373 ( -3.885 -2.159 -1.852) 4.815 21.467 ( 1.426 -3.978 -5.756) 7.141 21.510 ( 1.442 -0.459 -3.514) 3.826 21.590 ( -3.072 3.431 -5.375) 7.079 21.726 ( 2.338 0.805 -2.225) 3.327 21.745 ( -0.174 -2.345 -2.194) 3.216 21.869 ( -3.726 1.609 -2.693) 4.870 21.959 ( -0.192 4.283 -0.275) 4.296 22.011 ( -5.528 2.493 -0.765) 6.113 22.189 ( -0.698 -2.861 -4.610) 5.470 22.261 ( 0.811 -2.217 2.889) 3.731 22.430 ( -2.878 -0.051 3.106) 4.235 23.214 ( 2.383 -1.678 0.143) 2.918 23.287 ( 4.720 -1.095 3.207) 5.811 23.457 ( 1.129 6.763 4.970) 8.469 23.750 ( 2.193 0.089 -1.841) 2.865 24.467 ( 4.804 -1.028 3.080) 5.798 24.547 ( 3.104 -2.618 4.773) 6.266 24.619 ( 6.084 -1.743 0.887) 6.390 24.721 ( 2.303 -3.342 1.787) 4.435 24.855 ( 5.316 3.898 -2.096) 6.917 25.005 ( 3.299 0.429 -0.819) 3.426 25.052 ( -2.555 1.099 2.464) 3.716 25.083 ( -3.388 1.054 -3.324) 4.862 25.444 ( -1.316 2.558 5.638) 6.330 25.523 ( 3.820 2.735 -3.937) 6.130 25.620 ( -0.788 5.240 1.380) 5.475 25.761 ( 1.533 2.044 -2.906) 3.870 26.101 ( 2.962 2.007 -0.959) 3.705 26.172 ( 2.022 3.010 -1.576) 3.954 26.200 ( 2.502 -0.714 -0.513) 2.652 26.302 ( 4.946 -3.607 0.258) 6.127 26.367 ( -0.366 0.029 -5.718) 5.730 26.451 ( 3.735 0.994 -2.689) 4.708 26.522 ( -1.974 -1.309 -3.268) 4.036 26.667 ( -7.487 -0.603 1.242) 7.613 26.823 ( 2.423 -2.912 2.346) 4.456 26.945 ( -0.720 -4.434 -1.278) 4.670 26.959 ( -2.461 -5.010 1.300) 5.731 27.052 ( -1.785 -3.107 -1.715) 3.973 27.675 ( -0.964 -0.603 16.481) 16.520 27.709 ( 2.352 -1.435 12.708) 13.003 28.051 ( 8.950 0.283 -9.227) 12.858 28.101 ( 10.254 -1.089 -11.104) 15.154 29.102 ( -8.598 1.339 10.032) 13.280 29.180 ( -5.477 -1.039 8.226) 9.937 29.310 ( 5.211 4.610 -10.174) 12.325 29.640 ( -2.124 -3.602 -13.173) 13.820 ======================= Grid point 120 (64/78) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -8.087 7.013 15.119) 18.525 1.873 ( 2.288 10.032 -11.642) 15.537 2.432 ( -3.820 -8.852 14.552) 17.456 2.658 ( 9.313 -4.483 -8.292) 13.251 3.011 ( -0.708 -10.106 2.090) 10.345 3.091 ( -2.724 -11.242 -1.647) 11.684 3.261 ( -2.523 -3.437 -5.529) 6.982 3.320 ( 8.474 -6.006 -7.455) 12.785 3.658 ( -2.965 10.267 4.865) 11.742 3.753 ( 5.905 9.929 -3.300) 12.014 4.065 ( -5.796 4.268 0.991) 7.266 4.105 ( -0.383 6.997 -2.724) 7.518 4.320 ( 5.336 2.560 4.652) 7.528 4.407 ( -3.779 2.879 -2.578) 5.405 4.481 ( -0.731 6.023 1.962) 6.376 4.537 ( -2.241 2.458 -2.341) 4.067 4.817 ( -3.161 -5.216 5.662) 8.322 4.912 ( 2.673 -2.573 -3.335) 4.989 4.980 ( -2.850 1.215 9.451) 9.946 5.117 ( -1.247 3.194 0.007) 3.429 5.203 ( 5.749 1.856 -2.064) 6.384 5.214 ( -1.507 1.368 -1.677) 2.637 5.679 ( -6.377 -1.927 5.274) 8.496 5.809 ( 8.126 -1.994 -4.961) 9.727 5.902 ( 1.229 0.995 9.549) 9.679 5.997 ( 3.964 -1.820 -0.882) 4.450 6.141 ( -4.420 -9.788 8.576) 13.744 6.203 ( -1.805 -4.424 4.888) 6.835 6.415 ( 5.282 5.229 5.918) 9.501 6.605 ( -6.409 -1.312 -12.587) 14.186 6.738 ( -9.124 6.680 7.777) 13.724 6.927 ( 8.228 7.300 -10.175) 14.984 7.000 ( -15.794 -0.197 13.471) 20.760 7.150 ( 16.115 2.277 8.792) 18.498 7.335 ( 11.213 -4.090 13.820) 18.261 7.500 ( -9.656 -5.958 9.484) 14.788 7.750 ( -12.168 0.351 -8.826) 15.036 7.794 ( 7.955 -1.667 7.274) 10.908 7.847 ( -4.270 -3.668 2.470) 6.147 7.941 ( 0.619 5.503 0.573) 5.567 8.159 ( 2.609 -9.502 -10.368) 14.303 8.383 ( -3.899 11.478 -13.056) 17.816 8.485 ( -4.019 -6.222 -2.883) 7.948 8.727 ( 12.938 4.173 -21.069) 25.074 9.115 ( 24.281 1.123 -1.291) 24.342 9.164 ( -20.990 1.289 -5.481) 21.732 9.325 ( 0.492 -1.690 7.973) 8.165 9.474 ( -1.300 1.943 -6.661) 7.059 9.712 ( 11.231 5.050 0.277) 12.317 9.764 ( -13.232 5.427 -4.958) 15.137 10.002 ( -3.132 4.024 6.467) 8.235 10.091 ( 4.999 1.303 -1.062) 5.274 10.166 ( -11.215 -7.428 10.563) 17.103 10.380 ( 10.854 -6.664 -8.090) 15.089 10.589 ( -4.307 -4.672 4.892) 8.019 10.709 ( 4.037 -2.975 9.088) 10.380 10.729 ( 0.830 -2.394 -3.952) 4.694 10.919 ( -4.585 -2.748 -4.517) 6.998 11.044 ( 7.622 -7.895 -1.961) 11.148 11.180 ( -3.046 -8.664 -9.648) 13.320 11.281 ( -3.217 -2.894 0.216) 4.333 11.344 ( -1.365 -2.837 -2.793) 4.209 11.632 ( 3.574 4.073 1.510) 5.625 11.679 ( -5.268 4.217 -3.230) 7.481 11.840 ( 1.729 -0.740 6.986) 7.235 11.964 ( 6.020 7.611 -4.503) 10.698 12.051 ( -4.937 -4.493 2.297) 7.059 12.090 ( 1.733 -0.225 -1.944) 2.614 12.461 ( -1.632 14.215 5.060) 15.177 12.557 ( -0.625 10.821 -4.281) 11.654 13.022 ( 0.281 -1.366 6.112) 6.270 13.159 ( 0.665 -1.895 -5.859) 6.194 13.233 ( -1.701 -0.589 5.211) 5.513 13.364 ( 3.908 -3.343 -7.717) 9.273 13.609 ( -0.456 -0.020 5.916) 5.934 13.712 ( -0.491 1.411 -4.125) 4.387 13.893 ( 3.597 -0.085 4.023) 5.397 13.940 ( -0.891 -0.702 0.014) 1.135 14.080 ( -2.787 -1.973 1.028) 3.566 14.110 ( -3.370 0.110 -0.836) 3.474 14.544 ( -7.764 5.609 -0.642) 9.600 14.599 ( 15.005 4.602 -4.991) 16.469 14.832 ( -7.757 -1.257 4.124) 8.875 14.891 ( 2.198 1.067 -2.027) 3.175 15.196 ( -6.399 -0.287 2.643) 6.930 15.271 ( 3.522 -1.830 0.657) 4.023 15.390 ( 5.970 1.184 2.426) 6.552 15.593 ( -3.906 -6.510 -13.372) 15.377 15.953 ( 5.778 -9.829 12.915) 17.228 16.194 ( -7.182 -14.722 -2.205) 16.528 16.275 ( -4.174 3.770 -3.519) 6.634 16.391 ( 6.642 -2.020 -7.759) 10.412 16.831 ( 8.813 5.647 6.164) 12.147 16.929 ( -8.453 8.367 -3.360) 12.360 17.099 ( 11.199 -1.789 6.515) 13.079 17.177 ( -10.741 0.725 -1.458) 10.864 19.924 ( 1.301 1.163 3.355) 3.781 19.963 ( -1.020 1.058 -0.438) 1.534 20.138 ( -0.675 -3.704 3.695) 5.275 20.191 ( -0.364 -3.376 -1.163) 3.590 20.412 ( -0.923 2.953 2.726) 4.123 20.455 ( -0.254 2.750 -0.853) 2.890 20.629 ( 0.248 2.256 7.937) 8.255 20.759 ( 1.475 2.277 -4.248) 5.041 20.870 ( 4.335 0.467 9.479) 10.434 20.978 ( -0.685 2.138 1.284) 2.586 21.099 ( 0.238 -1.591 2.176) 2.706 21.202 ( -2.951 -0.005 -6.917) 7.520 21.272 ( -3.978 -1.034 2.805) 4.976 21.387 ( 0.523 -3.763 -8.170) 9.010 21.472 ( -4.344 0.926 0.647) 4.489 21.565 ( 6.177 2.863 -8.044) 10.538 21.679 ( -6.653 -0.283 2.113) 6.987 21.759 ( 5.865 1.017 -5.635) 8.197 21.847 ( 1.287 2.507 1.152) 3.044 21.890 ( -2.967 3.335 -2.719) 5.227 22.011 ( 1.097 -1.088 5.046) 5.277 22.113 ( -1.037 -4.186 -4.749) 6.415 22.361 ( 4.354 -1.217 2.503) 5.167 22.401 ( -1.462 -1.259 -0.852) 2.109 23.265 ( 0.525 1.908 2.329) 3.057 23.311 ( 0.114 1.631 -1.591) 2.281 23.582 ( 3.197 1.930 8.638) 9.411 23.717 ( -2.261 -0.051 -4.875) 5.374 24.561 ( 1.495 -0.859 5.304) 5.577 24.586 ( -3.811 -2.543 3.818) 5.963 24.688 ( 0.582 -0.863 1.978) 2.235 24.736 ( -0.798 -1.389 -2.795) 3.222 24.934 ( 3.071 0.857 -0.088) 3.190 24.982 ( -1.071 1.678 -3.930) 4.405 25.026 ( -3.681 0.391 2.390) 4.406 25.061 ( 3.427 -0.276 -0.908) 3.556 25.434 ( -4.631 4.559 4.821) 8.091 25.543 ( 3.810 4.163 -5.232) 7.696 25.648 ( 0.452 2.550 3.978) 4.747 25.745 ( 1.076 1.480 -4.967) 5.293 26.133 ( 0.177 2.146 0.789) 2.293 26.168 ( 0.095 2.726 -2.361) 3.608 26.235 ( 0.369 0.095 1.846) 1.885 26.293 ( -2.386 1.320 -3.836) 4.707 26.384 ( 2.820 -2.422 0.441) 3.744 26.440 ( -1.843 -0.388 -4.552) 4.926 26.540 ( -2.693 -0.867 -0.445) 2.864 26.541 ( 3.219 -1.209 0.432) 3.465 26.872 ( -0.040 -5.047 1.604) 5.296 26.894 ( -1.398 -5.863 -1.292) 6.165 26.970 ( 0.960 -2.245 2.413) 3.433 27.013 ( -0.156 -1.861 -2.277) 2.945 27.792 ( -2.859 -0.389 14.768) 15.047 27.844 ( -2.792 -1.723 13.761) 14.146 28.050 ( 3.464 0.498 -12.114) 12.609 28.134 ( 7.001 -1.598 -13.921) 15.664 29.054 ( -9.253 2.029 11.638) 15.006 29.198 ( -4.411 -1.444 13.264) 14.053 29.307 ( 6.256 2.989 -10.752) 12.794 29.502 ( 2.160 -1.748 -14.307) 14.574 ======================= Grid point 121 (65/78) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.619 6.044 19.042) 19.987 1.846 ( 6.178 8.908 -9.525) 14.431 2.412 ( -7.051 -6.260 4.447) 10.425 2.620 ( -3.822 -7.135 -10.958) 13.623 2.853 ( -17.970 -5.086 2.413) 18.831 2.990 ( -7.346 -8.292 -1.450) 11.172 3.128 ( -6.288 -1.268 -3.753) 7.432 3.481 ( -10.163 12.593 -0.231) 16.184 3.503 ( 9.299 -7.859 -4.267) 12.901 3.823 ( 0.402 8.267 -3.836) 9.122 4.015 ( -1.059 1.967 5.465) 5.904 4.150 ( 1.000 2.639 4.269) 5.117 4.246 ( -5.198 4.946 -3.168) 7.843 4.402 ( -9.028 -0.161 -2.525) 9.376 4.444 ( -2.835 3.460 4.564) 6.390 4.527 ( 3.248 5.918 5.114) 8.469 4.817 ( -3.668 -2.440 5.833) 7.309 4.866 ( -10.858 2.985 0.425) 11.269 4.939 ( -1.747 3.016 -1.297) 3.719 5.087 ( -0.618 2.871 2.190) 3.663 5.105 ( -2.386 0.854 -10.136) 10.448 5.441 ( 11.423 -2.241 3.920) 12.283 5.552 ( -12.506 0.406 0.238) 12.515 5.732 ( -13.436 -3.110 -1.950) 13.928 5.814 ( -6.323 -0.330 -6.895) 9.361 6.020 ( 2.398 -1.052 -5.736) 6.306 6.160 ( -3.420 -11.443 10.682) 16.023 6.296 ( 4.664 -3.942 5.667) 8.331 6.428 ( 2.889 2.537 -6.033) 7.154 6.526 ( -10.014 2.112 1.645) 10.366 6.797 ( 6.400 3.016 14.624) 16.246 6.823 ( -15.047 1.089 9.781) 17.979 6.989 ( 9.204 8.303 -10.390) 16.174 7.277 ( -7.307 4.116 -17.880) 19.749 7.350 ( 6.957 -1.456 -3.437) 7.895 7.532 ( -3.316 0.298 2.570) 4.206 7.647 ( -4.916 -5.298 21.757) 22.926 7.806 ( 2.870 -3.145 -1.043) 4.383 7.883 ( -4.384 -8.889 -15.142) 18.097 8.022 ( 5.656 -5.225 -0.153) 7.702 8.205 ( 6.671 4.502 2.212) 8.346 8.271 ( -0.350 8.040 17.621) 19.372 8.483 ( 0.911 0.708 -7.734) 7.819 8.677 ( -16.739 3.666 -3.313) 17.454 8.865 ( 15.054 -4.350 -15.466) 22.017 9.180 ( -15.640 -4.170 1.398) 16.247 9.296 ( -9.926 10.840 -1.044) 14.735 9.591 ( 4.480 -0.971 -1.604) 4.857 9.631 ( 11.645 0.562 5.512) 12.896 9.861 ( 0.075 2.247 1.393) 2.645 9.954 ( -5.295 -0.304 -2.819) 6.006 9.992 ( -12.675 -6.267 8.303) 16.397 10.168 ( 3.842 -3.389 0.278) 5.131 10.399 ( 1.894 0.572 -4.784) 5.177 10.522 ( 1.719 -7.560 -0.675) 7.782 10.673 ( -5.976 -2.339 -2.018) 6.727 10.819 ( -5.349 -1.451 -5.227) 7.618 10.941 ( -0.386 -1.017 0.764) 1.329 10.973 ( 3.579 -5.833 4.270) 8.066 11.180 ( 4.001 -3.378 1.051) 5.341 11.287 ( -0.541 -4.740 1.586) 5.028 11.361 ( 3.808 -5.280 2.027) 6.818 11.573 ( -4.010 2.782 0.866) 4.957 11.662 ( -2.095 2.732 0.415) 3.468 11.845 ( 0.197 6.670 -3.150) 7.379 12.020 ( 2.647 -1.892 -5.875) 6.716 12.043 ( 0.993 3.594 1.683) 4.091 12.158 ( 6.748 -0.537 2.720) 7.295 12.413 ( -8.131 9.572 4.463) 13.329 12.502 ( -2.793 10.987 -0.081) 11.336 13.060 ( -3.554 -4.159 4.700) 7.213 13.066 ( -3.481 -3.183 -8.139) 9.407 13.173 ( -9.151 -2.486 2.690) 9.857 13.276 ( -4.555 -0.184 -5.582) 7.207 13.544 ( -8.940 -1.285 -0.452) 9.043 13.708 ( -14.129 4.637 1.183) 14.918 13.813 ( 7.498 4.732 3.078) 9.385 13.876 ( -0.832 -0.958 1.590) 2.034 14.129 ( -1.612 1.583 2.147) 3.116 14.204 ( 3.410 -0.724 -2.617) 4.359 14.304 ( -6.921 4.446 -0.006) 8.226 14.587 ( -2.636 1.117 -7.005) 7.568 14.891 ( 0.180 -5.236 8.152) 9.690 15.084 ( 3.330 5.520 4.024) 7.600 15.169 ( 16.178 3.759 0.951) 16.637 15.396 ( -1.526 -2.374 -10.459) 10.833 15.499 ( 11.715 -4.976 -3.585) 13.224 15.604 ( 12.020 -4.518 7.936) 15.096 16.021 ( -2.755 -8.368 -7.494) 11.566 16.114 ( -0.971 3.981 1.526) 4.373 16.230 ( 3.536 -19.715 8.070) 21.595 16.513 ( 9.072 -0.570 -3.074) 9.596 16.735 ( -7.158 2.121 -3.347) 8.182 16.894 ( -11.826 1.389 -3.013) 12.283 17.101 ( 15.089 13.405 3.066) 20.416 17.573 ( 30.245 -2.356 2.145) 30.412 19.940 ( 0.478 1.293 -1.695) 2.185 19.969 ( 0.755 1.385 1.160) 1.958 20.198 ( 2.826 -3.895 2.746) 5.541 20.210 ( 4.090 -4.640 -1.386) 6.339 20.442 ( 1.048 3.885 3.507) 5.337 20.456 ( 1.470 2.950 -0.668) 3.363 20.682 ( -0.891 1.699 -0.513) 1.986 20.733 ( 1.572 3.346 -2.660) 4.554 20.876 ( -5.744 2.137 -8.558) 10.526 21.017 ( 3.766 -1.154 3.057) 4.985 21.119 ( 0.347 -0.999 -0.846) 1.354 21.173 ( 1.097 1.368 6.408) 6.643 21.295 ( 0.920 -1.047 5.506) 5.679 21.321 ( -1.809 -5.028 0.455) 5.363 21.446 ( 0.625 1.444 1.420) 2.119 21.605 ( 6.042 3.947 -5.785) 9.249 21.616 ( -3.689 1.595 3.596) 5.393 21.816 ( 4.082 -1.010 -2.692) 4.993 21.838 ( 0.738 1.825 0.154) 1.974 21.918 ( 3.543 4.283 2.036) 5.920 22.044 ( 0.121 -1.023 -0.795) 1.301 22.107 ( 2.188 -0.583 1.573) 2.757 22.349 ( 0.961 -4.717 -5.252) 7.124 22.461 ( 4.515 -1.766 -0.302) 4.857 23.223 ( -4.281 0.981 0.222) 4.397 23.330 ( 0.841 0.761 -1.673) 2.021 23.587 ( -5.288 2.503 -7.051) 9.162 23.676 ( -1.040 1.083 5.760) 5.953 24.476 ( -13.033 -1.442 3.470) 13.564 24.587 ( -3.468 -2.335 1.467) 4.431 24.645 ( -3.685 0.295 -3.927) 5.393 24.726 ( -0.434 -0.108 3.513) 3.541 24.867 ( -2.176 0.066 -6.393) 6.753 24.947 ( -6.143 -0.354 4.356) 7.539 25.057 ( 3.730 1.512 -0.003) 4.025 25.105 ( 2.651 -1.014 -0.945) 2.992 25.405 ( -4.891 5.053 5.949) 9.211 25.557 ( 3.466 4.096 -4.983) 7.322 25.689 ( -0.036 1.323 3.079) 3.351 25.708 ( 0.945 2.455 -5.238) 5.862 26.098 ( -3.730 1.750 -0.323) 4.133 26.151 ( -1.195 2.446 0.102) 2.725 26.186 ( -5.486 0.241 0.138) 5.493 26.281 ( 0.068 1.554 2.944) 3.329 26.337 ( -4.116 -2.891 -2.983) 5.848 26.398 ( -4.062 -0.031 1.647) 4.383 26.494 ( 2.919 -0.660 -0.817) 3.102 26.692 ( 9.439 -3.365 -0.464) 10.031 26.840 ( -2.646 -4.585 0.340) 5.304 26.919 ( 1.803 -6.338 1.990) 6.883 26.964 ( -0.961 0.029 -1.175) 1.518 27.052 ( 4.068 -2.851 -0.169) 4.971 27.846 ( -7.882 -0.909 14.089) 16.169 27.864 ( -8.073 -1.087 9.987) 12.888 27.952 ( 0.578 0.921 -14.264) 14.305 28.055 ( 2.162 -1.970 -18.616) 18.844 29.009 ( -10.615 2.732 13.817) 17.637 29.267 ( -1.372 -4.107 9.145) 10.118 29.330 ( 5.617 2.200 -4.410) 7.472 29.468 ( 8.105 0.821 -8.727) 11.938 ======================= Grid point 122 (66/78) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.816 5.879 -5.959) 8.411 1.888 ( 1.641 2.543 9.887) 10.340 2.386 ( -10.314 0.359 -4.641) 11.316 2.438 ( 4.260 -1.150 4.572) 6.354 2.576 ( -15.575 3.462 1.736) 16.049 2.710 ( -25.688 7.923 12.595) 29.686 3.000 ( -4.771 -5.511 -3.408) 8.047 3.284 ( -7.758 5.794 -6.610) 11.724 3.569 ( -3.438 -2.115 -0.151) 4.039 3.702 ( -7.347 6.901 -4.907) 11.211 4.017 ( -6.202 -1.644 -3.684) 7.399 4.121 ( -17.639 -6.342 5.759) 19.609 4.158 ( 0.498 4.840 1.841) 5.202 4.287 ( -0.893 -3.111 3.266) 4.598 4.389 ( -3.567 0.511 0.000) 3.604 4.553 ( -27.349 8.246 10.167) 30.320 4.588 ( -17.891 4.479 1.293) 18.488 4.784 ( -8.233 7.105 -0.266) 10.879 4.821 ( 1.286 -0.495 -3.732) 3.978 4.933 ( 0.118 4.784 -3.864) 6.151 5.166 ( -7.720 3.374 -1.252) 8.518 5.227 ( -2.664 3.258 -5.005) 6.539 5.553 ( -3.056 -0.243 2.726) 4.103 5.616 ( -4.861 -2.409 4.706) 7.182 5.709 ( 6.403 -4.483 -5.351) 9.473 6.022 ( 5.139 -2.052 -7.263) 9.131 6.231 ( -0.309 -8.149 1.836) 8.359 6.304 ( -3.893 1.685 -6.835) 8.044 6.414 ( 2.915 -3.371 3.312) 5.553 6.510 ( -7.750 -2.404 10.330) 13.135 6.612 ( -8.725 5.622 9.014) 13.748 6.972 ( 4.024 -5.922 -0.937) 7.221 7.045 ( 9.399 8.267 -10.388) 16.267 7.231 ( 10.192 5.848 -3.195) 12.177 7.394 ( -2.150 -1.297 1.438) 2.893 7.510 ( -2.260 0.256 -4.896) 5.399 7.647 ( -6.926 -6.431 7.720) 12.204 7.728 ( -9.346 -8.570 5.231) 13.717 7.796 ( 2.297 1.536 -9.783) 10.165 7.999 ( -19.456 -5.775 -3.758) 20.640 8.134 ( -6.076 -4.753 10.534) 13.056 8.196 ( -5.836 -1.986 -3.806) 7.245 8.544 ( 6.066 10.809 2.887) 12.726 8.590 ( -4.473 5.181 -6.278) 9.287 8.889 ( 3.632 -1.181 -19.640) 20.008 8.942 ( -15.968 -2.646 1.513) 16.256 9.132 ( 2.402 7.541 4.817) 9.265 9.605 ( -4.401 -4.015 1.788) 6.219 9.708 ( -2.859 -0.667 1.290) 3.207 9.777 ( -3.387 -4.927 -2.863) 6.629 9.980 ( 1.775 4.207 9.014) 10.105 10.079 ( 7.568 -9.805 3.281) 12.813 10.165 ( 2.244 -10.027 0.690) 10.298 10.434 ( 0.805 2.683 -4.194) 5.044 10.529 ( -2.892 1.379 -9.091) 9.639 10.612 ( -13.678 -5.544 3.593) 15.190 10.623 ( 8.881 7.839 1.356) 11.923 10.888 ( -2.111 -1.420 -4.903) 5.523 11.070 ( -1.342 -1.143 3.360) 3.794 11.179 ( -1.822 -6.437 -4.077) 7.834 11.305 ( -0.395 -2.882 4.275) 5.170 11.434 ( -0.587 -6.132 3.592) 7.131 11.597 ( 0.335 2.998 -0.388) 3.041 11.684 ( 9.139 -3.083 9.051) 13.227 11.859 ( 2.086 6.442 -0.223) 6.775 11.978 ( -2.304 2.782 -0.623) 3.666 12.088 ( 1.925 4.438 4.114) 6.350 12.281 ( 5.876 5.136 -2.579) 8.219 12.329 ( -5.771 7.413 3.803) 10.135 12.469 ( -4.735 1.234 4.020) 6.333 12.893 ( -5.404 -5.555 -8.409) 11.436 12.995 ( -8.232 -5.219 1.303) 9.834 13.031 ( -3.344 -3.272 -2.857) 5.482 13.142 ( -8.430 -0.921 1.643) 8.637 13.404 ( -8.737 1.426 2.934) 9.326 13.605 ( -2.231 9.746 3.977) 10.760 13.820 ( -6.929 7.063 -1.648) 10.031 13.877 ( 0.332 -6.040 -6.305) 8.738 14.056 ( -2.117 1.161 -1.540) 2.863 14.150 ( -2.995 3.041 -3.100) 5.275 14.332 ( 5.556 6.540 -6.106) 10.532 14.658 ( 10.732 -0.912 12.199) 16.274 14.906 ( -3.991 -5.164 1.223) 6.640 15.179 ( 1.556 6.105 3.703) 7.308 15.354 ( 6.090 -2.027 -3.646) 7.382 15.414 ( 4.246 0.962 0.711) 4.412 15.557 ( 7.738 -3.296 -4.307) 9.449 15.799 ( 8.448 -2.879 -5.747) 10.616 15.964 ( -3.647 -1.455 3.416) 5.205 16.272 ( 13.845 -6.869 4.209) 16.018 16.390 ( 5.658 -16.707 8.367) 19.523 16.583 ( 0.490 0.954 2.505) 2.725 16.654 ( -5.699 -2.519 -5.793) 8.507 16.709 ( 0.854 -1.306 1.105) 1.912 17.404 ( 19.222 19.160 -2.482) 27.253 18.114 ( 32.621 -4.067 -4.119) 33.131 19.959 ( 1.772 1.058 -0.094) 2.066 19.987 ( 2.814 1.981 -0.686) 3.509 20.231 ( 2.248 -5.076 -2.023) 5.909 20.306 ( 3.348 -5.266 2.727) 6.810 20.450 ( 0.441 3.444 -2.357) 4.197 20.526 ( 1.295 1.892 3.217) 3.950 20.631 ( 1.957 4.599 -6.604) 8.282 20.680 ( -3.256 2.239 -3.336) 5.171 20.775 ( 0.178 3.520 -1.147) 3.707 21.086 ( 3.114 -5.342 -1.299) 6.319 21.134 ( -3.978 2.310 1.460) 4.826 21.171 ( 3.552 3.882 0.869) 5.333 21.364 ( 1.489 -3.058 1.378) 3.670 21.425 ( 3.571 -4.632 7.173) 9.256 21.497 ( 4.530 2.020 0.204) 4.964 21.607 ( -1.027 1.882 2.794) 3.522 21.664 ( 5.372 3.886 -1.243) 6.745 21.837 ( 2.329 2.022 -0.956) 3.230 21.903 ( 2.402 3.508 2.822) 5.103 21.970 ( 1.259 0.908 -0.688) 1.698 22.079 ( 2.601 0.127 0.052) 2.605 22.150 ( 3.479 4.427 -0.060) 5.630 22.376 ( 8.367 -6.446 -2.930) 10.962 22.512 ( 3.533 -2.705 -2.020) 4.887 23.163 ( -3.649 -2.818 0.793) 4.678 23.225 ( -7.800 -2.940 -6.980) 10.873 23.473 ( -1.550 7.411 -2.773) 8.064 23.651 ( -6.872 2.132 2.947) 7.775 24.223 ( -21.018 -0.420 5.086) 21.628 24.484 ( -7.481 -2.979 -2.244) 8.359 24.553 ( -2.463 1.122 -3.217) 4.204 24.726 ( -2.602 -1.642 1.487) 3.417 24.774 ( -2.395 -1.361 -5.017) 5.723 24.884 ( -6.673 -0.151 4.811) 8.228 25.094 ( -0.472 0.963 1.852) 2.140 25.125 ( 1.354 0.320 -2.364) 2.743 25.374 ( -5.625 4.217 5.523) 8.940 25.543 ( 1.253 2.242 -7.009) 7.465 25.689 ( 3.019 4.841 -3.887) 6.903 25.719 ( -0.292 0.855 2.881) 3.020 26.036 ( -3.712 1.264 1.217) 4.106 26.109 ( -4.154 -0.603 0.771) 4.268 26.120 ( -3.232 2.078 1.918) 4.295 26.228 ( -4.178 -1.809 -0.074) 4.554 26.335 ( 1.413 -0.730 3.719) 4.045 26.376 ( -0.898 -0.030 2.371) 2.535 26.536 ( 1.247 -2.734 0.082) 3.006 26.789 ( -1.869 -1.299 -0.642) 2.365 26.824 ( 6.669 -3.018 -3.252) 8.010 26.932 ( -1.562 -1.760 -0.078) 2.355 26.988 ( 2.022 -5.131 3.281) 6.417 27.098 ( 2.261 -3.879 -2.498) 5.138 27.751 ( -12.766 -0.670 4.813) 13.659 27.785 ( -8.721 -0.849 -1.246) 8.851 27.840 ( -4.482 0.282 -0.449) 4.513 27.871 ( 0.109 -0.993 -19.291) 19.317 28.965 ( -11.149 3.705 15.714) 19.620 29.318 ( 2.975 -5.221 -0.465) 6.027 29.410 ( 7.455 0.934 -1.896) 7.749 29.613 ( 10.333 0.602 4.073) 11.123 ======================= Grid point 123 (67/78) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -1.580 6.408 -5.399) 8.527 1.918 ( -16.734 7.174 20.831) 27.667 2.129 ( -10.853 10.911 -4.591) 16.060 2.310 ( -12.440 -5.993 4.602) 14.555 2.643 ( -2.018 10.007 12.045) 15.789 2.681 ( 4.834 5.343 16.992) 18.456 2.863 ( -9.761 8.001 2.171) 12.806 3.088 ( -9.125 -0.510 -4.447) 10.164 3.357 ( -16.301 0.396 -1.791) 16.404 3.501 ( -16.231 10.308 -4.524) 19.753 3.762 ( -23.079 14.110 14.567) 30.724 3.836 ( -13.854 -12.323 -3.613) 18.890 4.026 ( -21.863 1.136 9.585) 23.899 4.119 ( -14.343 3.191 1.187) 14.742 4.298 ( -0.679 -4.164 -1.840) 4.603 4.392 ( -17.705 -4.066 -8.693) 20.139 4.457 ( -5.157 6.100 2.594) 8.399 4.518 ( 6.756 2.682 -0.261) 7.274 4.736 ( -3.168 0.702 -2.469) 4.077 5.005 ( -3.423 1.045 1.621) 3.929 5.096 ( 2.279 7.263 10.637) 13.080 5.260 ( 2.204 4.262 -4.846) 6.819 5.497 ( -7.133 -0.531 1.906) 7.402 5.616 ( 4.164 0.676 6.056) 7.381 5.836 ( 7.325 -4.236 -0.623) 8.485 6.023 ( 3.973 -5.151 -9.473) 11.491 6.107 ( -5.229 -2.909 -14.247) 15.453 6.177 ( -4.123 -0.611 -3.047) 5.163 6.451 ( -0.794 -3.819 1.509) 4.183 6.522 ( -3.195 -2.818 13.734) 14.380 6.670 ( -4.288 3.471 10.600) 11.950 7.020 ( -5.124 2.870 -9.752) 11.384 7.056 ( -4.318 -4.280 4.639) 7.647 7.220 ( -4.545 -3.292 -9.975) 11.446 7.304 ( -10.588 1.349 -4.101) 11.434 7.327 ( -2.875 -0.074 0.845) 2.998 7.499 ( -8.513 -0.537 4.346) 9.573 7.592 ( -2.535 0.532 -12.966) 13.222 7.804 ( -2.080 -2.372 -5.311) 6.177 7.886 ( -2.266 -2.844 7.831) 8.634 7.931 ( 2.658 -0.738 -1.932) 3.368 8.198 ( -6.614 -9.189 10.917) 15.728 8.452 ( -6.194 4.874 2.430) 8.248 8.594 ( -3.868 1.505 0.641) 4.200 8.755 ( 6.648 2.889 -16.749) 18.250 8.838 ( 8.061 3.498 -7.572) 11.600 9.228 ( 4.417 2.076 -1.411) 5.080 9.542 ( -3.180 -2.143 -11.337) 11.968 9.638 ( -6.561 0.630 8.301) 10.599 9.759 ( 0.371 -0.987 1.269) 1.650 9.933 ( -6.074 -4.614 -5.387) 9.338 10.175 ( -2.753 -11.688 4.018) 12.662 10.296 ( -3.289 1.455 -5.354) 6.449 10.375 ( 6.026 -6.623 2.748) 9.367 10.429 ( 0.115 3.312 1.755) 3.750 10.471 ( -7.143 -8.677 2.687) 11.556 10.746 ( 0.208 -1.002 -7.096) 7.170 10.807 ( 3.610 2.434 -3.102) 5.346 11.025 ( -1.393 -1.805 -1.065) 2.517 11.155 ( 1.778 -5.238 0.166) 5.534 11.315 ( -1.591 -0.534 -1.174) 2.048 11.428 ( -1.646 2.419 5.936) 6.617 11.702 ( 5.755 0.848 1.042) 5.910 11.889 ( 3.705 4.688 5.009) 7.797 11.935 ( 0.981 -1.047 8.282) 8.405 11.985 ( 5.824 0.754 1.330) 6.022 12.160 ( 1.806 0.414 -1.102) 2.156 12.269 ( -2.590 4.353 -6.075) 7.910 12.315 ( -2.320 7.656 11.293) 13.840 12.424 ( -4.080 -0.996 7.799) 8.857 12.765 ( -2.042 -9.441 -7.131) 12.006 12.828 ( -12.221 -5.882 2.285) 13.754 12.952 ( -2.973 2.166 -3.372) 4.990 13.131 ( 3.797 0.408 3.239) 5.008 13.295 ( -6.419 5.569 2.794) 8.946 13.602 ( -5.123 3.093 0.091) 5.985 13.710 ( -3.673 7.988 4.159) 9.726 13.789 ( 0.218 -2.841 -8.206) 8.687 14.014 ( -2.089 -5.974 -3.223) 7.102 14.075 ( 0.709 9.386 -3.659) 10.099 14.355 ( 2.905 6.081 -6.569) 9.411 14.754 ( -4.336 2.170 -9.162) 10.366 15.014 ( 8.891 -3.051 9.254) 13.191 15.236 ( 5.912 8.213 0.422) 10.128 15.422 ( 4.361 -3.234 5.373) 7.639 15.515 ( 8.426 -1.831 0.821) 8.662 15.737 ( 7.712 -2.038 6.223) 10.117 15.810 ( 0.652 -4.050 -5.790) 7.096 15.951 ( -2.946 0.267 6.797) 7.413 16.332 ( -8.072 -5.973 -6.338) 11.875 16.447 ( -3.018 -8.184 1.476) 8.847 16.524 ( 1.047 -14.357 -3.377) 14.786 16.848 ( 8.759 -0.689 6.395) 10.867 16.873 ( 16.500 -1.941 18.921) 25.180 17.653 ( 16.322 22.339 -10.614) 29.633 18.536 ( 24.757 -5.865 -11.636) 27.977 19.976 ( 0.357 2.741 1.559) 3.173 20.078 ( 6.719 0.783 0.313) 6.772 20.252 ( 2.148 -4.812 -1.283) 5.424 20.291 ( -6.656 -1.854 3.441) 7.718 20.455 ( 2.131 2.592 -3.285) 4.696 20.535 ( 2.437 3.789 -2.492) 5.149 20.631 ( 1.374 -0.821 0.778) 1.780 20.696 ( 3.181 1.465 -1.779) 3.927 20.775 ( 0.841 3.496 1.072) 3.752 21.077 ( -1.846 0.452 -2.307) 2.989 21.099 ( -0.278 5.331 -1.161) 5.463 21.263 ( 4.826 2.276 -2.229) 5.783 21.356 ( -0.349 -5.168 -1.592) 5.419 21.510 ( 3.653 -4.492 -0.617) 5.822 21.562 ( 4.030 4.255 -2.134) 6.237 21.656 ( 3.816 -0.255 2.075) 4.351 21.757 ( 3.152 1.764 2.681) 4.498 21.853 ( 0.004 4.802 -1.497) 5.030 21.903 ( -1.814 6.246 -5.820) 8.728 21.970 ( -0.887 5.228 4.591) 7.014 22.133 ( 7.280 -2.643 -4.238) 8.829 22.246 ( 7.905 2.233 -2.574) 8.608 22.548 ( 8.740 -1.005 3.604) 9.507 22.618 ( 11.808 -6.505 1.751) 13.594 23.003 ( -8.642 0.018 -0.653) 8.667 23.135 ( -2.739 -5.263 -0.122) 5.935 23.413 ( -7.591 2.631 0.340) 8.041 23.534 ( -6.349 5.787 1.546) 8.729 23.890 ( -24.837 -0.466 7.529) 25.957 24.309 ( -8.756 -2.991 -5.206) 10.616 24.508 ( -0.498 1.248 -1.009) 1.680 24.672 ( -5.962 -0.481 2.022) 6.314 24.685 ( -2.638 -3.682 -5.021) 6.762 24.828 ( -5.005 -3.067 7.360) 9.414 25.083 ( -1.325 1.317 -1.996) 2.734 25.102 ( -2.559 2.097 1.332) 3.566 25.314 ( -6.817 3.588 4.184) 8.766 25.482 ( 0.977 2.023 -8.589) 8.878 25.718 ( 2.751 3.799 -1.613) 4.960 25.743 ( 0.570 -0.715 2.003) 2.202 25.978 ( -5.086 -1.826 1.456) 5.597 26.056 ( -2.771 0.929 1.183) 3.152 26.110 ( -0.970 1.515 4.111) 4.488 26.214 ( 0.829 -1.708 2.579) 3.202 26.400 ( 0.883 0.487 2.345) 2.553 26.412 ( 3.422 -2.315 3.402) 5.352 26.504 ( -3.454 -3.765 -2.557) 5.714 26.796 ( 2.288 1.862 1.847) 3.481 26.845 ( -0.074 1.110 -5.351) 5.465 26.900 ( -0.968 -5.627 -0.580) 5.739 27.032 ( -1.020 -3.404 2.472) 4.329 27.066 ( -1.924 -4.071 -4.926) 6.674 27.518 ( -9.777 -0.062 -14.998) 17.903 27.563 ( -13.733 -2.004 2.212) 14.053 27.737 ( -3.864 -0.057 -1.119) 4.024 27.803 ( -0.395 0.227 -1.106) 1.196 28.945 ( -9.726 4.994 17.257) 20.429 29.360 ( 4.687 -4.551 -4.827) 8.123 29.542 ( 8.823 -0.700 -0.013) 8.850 29.848 ( 11.025 -4.155 4.451) 12.595 ======================= Grid point 124 (68/78) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -14.264 9.940 12.629) 21.489 1.880 ( -7.518 24.038 20.018) 32.173 1.948 ( -10.799 -5.493 4.215) 12.827 2.220 ( -3.439 -6.068 1.416) 7.117 2.669 ( -7.123 3.758 3.831) 8.918 2.745 ( -1.559 7.602 6.757) 10.289 2.896 ( -13.476 8.408 7.363) 17.508 2.920 ( -0.641 2.275 14.114) 14.311 3.064 ( -8.819 8.704 -13.755) 18.514 3.314 ( -9.041 22.861 24.673) 34.830 3.544 ( -6.185 -5.268 -8.075) 11.455 3.678 ( -13.575 5.513 14.357) 20.513 3.830 ( -12.384 5.406 2.953) 13.831 3.861 ( -8.374 -6.480 1.353) 10.675 4.025 ( -13.017 0.327 -5.852) 14.276 4.288 ( 0.909 -4.533 -5.611) 7.270 4.383 ( -2.568 12.614 -3.821) 13.428 4.723 ( 0.168 -6.098 10.828) 12.428 4.734 ( 9.113 -4.482 9.182) 13.691 4.963 ( -5.303 -0.682 6.886) 8.718 5.197 ( -2.641 2.189 -4.764) 5.871 5.213 ( -0.989 3.966 5.376) 6.753 5.421 ( -0.784 8.327 -6.962) 10.883 5.742 ( -3.394 -3.744 3.480) 6.136 5.817 ( 1.597 -3.793 -10.331) 11.120 5.886 ( -1.808 -5.253 -12.492) 13.671 6.035 ( 2.083 -2.262 -6.288) 7.000 6.113 ( 3.217 -4.240 -4.538) 6.994 6.372 ( -11.025 0.468 -1.321) 11.114 6.583 ( -2.470 3.879 5.252) 6.980 6.618 ( -14.090 2.056 -2.566) 14.469 6.686 ( -8.253 -4.917 15.585) 18.308 6.888 ( -12.564 -1.028 5.110) 13.602 7.105 ( -10.567 0.159 -3.688) 11.193 7.219 ( 6.584 1.018 -14.710) 16.148 7.268 ( -4.320 -5.671 9.626) 11.979 7.422 ( 7.781 8.225 -15.527) 19.216 7.650 ( 7.113 -0.652 4.484) 8.434 7.731 ( 9.181 -1.800 -17.484) 19.830 7.916 ( -4.719 -1.723 10.779) 11.892 8.147 ( 5.735 -0.371 14.408) 15.512 8.159 ( -0.329 -10.044 1.543) 10.167 8.410 ( 0.897 0.103 -2.190) 2.369 8.549 ( -4.600 1.794 5.657) 7.509 8.762 ( 6.311 5.143 -4.332) 9.221 8.973 ( 14.601 2.301 -10.984) 18.416 9.279 ( -0.182 -13.286 -4.205) 13.937 9.317 ( -5.010 0.078 -15.812) 16.587 9.547 ( -9.278 1.865 4.573) 10.510 9.709 ( -9.140 7.650 -5.688) 13.207 9.779 ( -3.793 3.397 -2.176) 5.537 10.058 ( -2.296 -5.555 -2.170) 6.391 10.270 ( -2.067 -8.468 -0.880) 8.761 10.363 ( 0.200 -10.545 -1.661) 10.677 10.402 ( -9.150 -2.625 -1.915) 9.710 10.493 ( 4.868 -7.017 0.687) 8.568 10.716 ( 2.701 -5.662 -0.276) 6.279 10.810 ( 1.773 2.889 -7.346) 8.091 11.088 ( 6.035 1.507 1.547) 6.410 11.184 ( 0.657 -1.686 3.783) 4.193 11.244 ( -5.166 -1.093 0.264) 5.287 11.579 ( 9.715 -4.053 7.808) 13.107 11.642 ( -8.755 7.352 -4.647) 12.341 11.880 ( -8.972 -3.229 -2.161) 9.777 11.930 ( -0.454 -1.492 -6.002) 6.201 12.151 ( 5.290 5.978 4.504) 9.166 12.202 ( 6.877 -1.689 -10.900) 12.998 12.248 ( 4.835 -1.585 13.059) 14.015 12.398 ( -3.777 0.644 0.618) 3.881 12.490 ( 1.361 4.574 12.943) 13.795 12.548 ( -11.419 -7.026 6.413) 14.863 12.828 ( 2.749 -6.550 4.060) 8.182 12.912 ( -1.016 8.632 1.169) 8.770 13.203 ( -2.923 6.629 1.878) 7.484 13.252 ( 2.169 6.892 1.194) 7.324 13.533 ( -1.505 0.426 0.649) 1.693 13.692 ( -1.141 8.530 0.219) 8.609 13.734 ( -1.249 -7.351 -4.762) 8.847 13.966 ( 0.264 -1.877 -0.501) 1.960 14.093 ( 2.010 7.349 0.476) 7.634 14.277 ( -3.429 5.813 -7.264) 9.916 14.610 ( 3.096 7.376 -18.194) 19.875 15.162 ( 4.364 -0.586 6.139) 7.555 15.400 ( 7.330 2.466 4.800) 9.102 15.553 ( 3.926 -2.045 0.467) 4.451 15.659 ( 4.722 -5.663 2.600) 7.819 15.748 ( -1.670 -3.148 -3.192) 4.784 15.839 ( -3.744 1.458 4.344) 5.917 16.008 ( -2.989 -14.597 7.827) 16.830 16.154 ( -1.258 2.857 -2.084) 3.754 16.345 ( -4.638 1.048 -0.511) 4.782 16.557 ( 2.951 -27.404 -2.085) 27.642 17.055 ( 6.871 6.909 9.694) 13.745 17.375 ( 14.030 -1.750 27.275) 30.722 17.731 ( 8.243 22.793 -16.215) 29.162 18.686 ( 10.233 -7.084 -20.323) 23.831 20.010 ( 0.964 3.382 3.581) 5.020 20.179 ( 3.626 0.408 0.594) 3.697 20.226 ( -4.595 -0.587 5.247) 6.999 20.288 ( 1.379 -4.846 0.209) 5.042 20.445 ( 2.512 3.423 -4.297) 6.041 20.583 ( 4.160 1.676 -3.569) 5.732 20.634 ( -2.707 2.510 3.404) 5.021 20.683 ( -0.901 -0.050 -2.967) 3.101 20.836 ( 2.525 2.248 2.249) 4.061 20.982 ( -4.260 2.377 -4.750) 6.809 21.078 ( 0.340 5.960 -4.794) 7.656 21.222 ( -1.002 -0.959 -8.161) 8.278 21.388 ( 2.774 -1.690 1.550) 3.599 21.535 ( 3.031 -0.951 -5.285) 6.166 21.624 ( 2.015 0.900 0.566) 2.278 21.720 ( 1.351 -1.928 -2.454) 3.401 21.783 ( 1.111 1.192 0.776) 1.805 21.823 ( -0.804 7.286 2.155) 7.640 21.884 ( 2.621 3.161 -0.584) 4.147 21.993 ( 1.680 8.635 -2.201) 9.068 22.220 ( 7.732 -1.253 -4.534) 9.050 22.344 ( 6.140 1.596 -3.031) 7.031 22.730 ( 7.505 -3.138 4.127) 9.121 22.868 ( 13.254 -5.907 0.459) 14.517 22.957 ( -3.127 0.652 5.638) 6.480 23.106 ( 2.466 -1.905 0.891) 3.240 23.216 ( -12.736 0.689 0.912) 12.787 23.484 ( -7.494 -2.407 1.611) 8.034 23.568 ( -18.709 6.416 12.537) 23.417 24.100 ( -8.084 -1.857 -7.533) 11.205 24.494 ( -1.603 -0.164 0.019) 1.612 24.581 ( -4.366 -2.993 0.205) 5.298 24.632 ( -1.425 0.749 4.211) 4.508 24.879 ( 1.531 -5.546 4.293) 7.178 25.017 ( -1.547 2.522 -0.819) 3.070 25.092 ( -0.892 1.322 1.748) 2.366 25.242 ( -5.214 3.490 3.446) 7.158 25.419 ( 0.711 1.910 -7.472) 7.745 25.731 ( -1.438 -5.171 2.516) 5.927 25.778 ( 2.080 -0.178 -0.610) 2.175 25.925 ( -2.783 -0.288 2.977) 4.086 26.029 ( -1.825 1.583 0.808) 2.547 26.160 ( 1.263 1.540 4.743) 5.144 26.277 ( 0.430 -2.719 5.801) 6.421 26.407 ( -3.516 -1.523 -2.365) 4.503 26.461 ( 7.311 -1.232 -3.638) 8.258 26.505 ( 3.250 -1.176 2.345) 4.177 26.747 ( -5.027 -3.182 -3.330) 6.818 26.808 ( -1.074 -0.441 -5.901) 6.014 26.910 ( -1.724 0.559 0.400) 1.856 26.956 ( -3.937 -0.577 -1.816) 4.374 27.011 ( 0.036 0.210 1.074) 1.094 27.236 ( -7.930 2.000 -7.796) 11.299 27.369 ( -11.036 -2.756 1.571) 11.483 27.706 ( -1.129 -1.902 2.845) 3.603 27.801 ( 2.662 -0.537 -3.856) 4.716 28.970 ( -7.628 5.741 18.353) 20.688 29.373 ( 4.355 -2.059 -8.773) 10.009 29.694 ( 6.577 -4.189 3.614) 8.595 30.002 ( 5.020 -7.949 -3.940) 10.194 ======================= Grid point 125 (69/78) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -4.628 9.496 2.763) 10.919 1.842 ( 0.585 1.420 -4.963) 5.195 2.208 ( 2.983 -2.926 0.661) 4.231 2.279 ( -3.691 -10.174 -5.670) 12.218 2.481 ( 1.297 18.333 19.911) 27.096 2.761 ( 2.232 -7.246 8.468) 11.366 2.919 ( -2.159 4.075 -8.653) 9.805 3.014 ( -2.528 -0.752 -4.372) 5.106 3.287 ( 0.842 13.670 3.546) 14.148 3.417 ( 3.345 1.440 -9.996) 10.639 3.639 ( -5.659 2.672 6.509) 9.029 3.683 ( 0.963 -3.718 5.362) 6.595 3.757 ( -1.268 3.438 6.271) 7.263 3.878 ( -3.300 -3.148 4.165) 6.176 4.042 ( 0.857 9.694 10.716) 14.476 4.160 ( 3.631 -2.394 -2.413) 4.974 4.744 ( 6.565 7.785 14.654) 17.845 4.789 ( 4.841 -2.859 22.139) 22.841 4.872 ( 0.780 -0.252 9.627) 9.662 4.939 ( -6.241 0.996 7.672) 9.940 5.153 ( 0.790 1.058 -4.394) 4.588 5.190 ( 2.313 -1.807 -10.462) 10.866 5.323 ( -5.961 3.587 -16.463) 17.872 5.392 ( -8.049 -3.665 -24.295) 25.855 5.792 ( -0.566 2.129 4.987) 5.452 5.855 ( 3.788 -3.071 -2.092) 5.306 6.094 ( 10.127 5.636 3.570) 12.127 6.172 ( -1.998 5.302 -2.812) 6.325 6.220 ( -2.651 1.970 5.315) 6.257 6.370 ( -5.139 -2.517 -8.253) 10.042 6.656 ( -4.864 -1.329 16.881) 17.618 6.724 ( -0.539 -8.117 20.519) 22.073 6.875 ( 0.073 1.021 9.377) 9.432 6.901 ( -0.462 -2.633 3.288) 4.238 7.237 ( 6.034 4.853 -20.004) 21.451 7.391 ( 4.857 -8.228 -23.040) 24.943 7.427 ( 0.874 15.534 3.699) 15.992 7.567 ( -1.538 8.967 -12.883) 15.772 7.737 ( 1.038 -12.146 4.124) 12.869 7.829 ( -0.569 -16.291 -4.591) 16.935 8.130 ( 1.166 10.742 10.955) 15.387 8.355 ( 1.969 -5.700 -1.734) 6.275 8.441 ( 9.088 1.813 9.008) 12.924 8.606 ( 2.464 -6.611 17.798) 19.145 8.717 ( -12.559 -7.459 -10.606) 18.051 8.745 ( -12.868 -4.797 -1.183) 13.784 9.059 ( 6.643 1.184 -19.322) 20.467 9.078 ( 4.622 -0.897 -20.671) 21.201 9.674 ( 0.350 11.964 4.329) 12.728 9.759 ( -1.013 8.072 -2.141) 8.412 9.864 ( -1.070 7.635 -0.236) 7.713 9.884 ( -3.274 -4.257 -3.363) 6.336 9.956 ( 0.583 -12.421 0.366) 12.441 10.057 ( -4.031 -9.911 -7.825) 13.255 10.395 ( 3.427 -1.362 1.721) 4.069 10.439 ( 4.452 -4.438 -1.902) 6.567 10.754 ( 0.137 3.833 3.303) 5.061 10.801 ( -1.005 0.406 -0.935) 1.431 11.111 ( -1.610 0.170 3.275) 3.653 11.146 ( 1.160 -2.705 1.119) 3.149 11.408 ( 6.115 4.685 9.990) 12.615 11.512 ( -1.763 -4.046 2.818) 5.236 11.727 ( -1.364 1.553 -4.547) 4.995 11.753 ( -4.748 -0.303 -6.405) 7.979 11.830 ( -2.984 6.011 3.323) 7.488 12.017 ( -2.732 -7.441 -12.021) 14.399 12.210 ( 0.083 -3.186 -0.077) 3.188 12.220 ( 2.165 -3.327 -1.258) 4.164 12.454 ( 1.275 1.081 12.431) 12.543 12.481 ( 1.790 -1.810 10.242) 10.554 12.727 ( -0.207 0.835 4.982) 5.055 12.774 ( 0.568 -3.539 0.874) 3.690 13.208 ( 2.196 7.295 -2.715) 8.088 13.233 ( -0.087 5.586 -3.772) 6.741 13.398 ( 2.769 -2.083 4.227) 5.466 13.420 ( -1.761 -4.203 -0.456) 4.580 13.760 ( -1.229 7.605 5.291) 9.346 13.840 ( -1.024 5.307 2.250) 5.855 13.951 ( 0.923 0.939 -1.570) 2.050 14.081 ( -1.202 -5.150 -10.421) 11.686 14.598 ( 1.750 27.134 4.336) 27.534 14.761 ( 1.112 17.388 -11.567) 20.914 15.265 ( 6.868 -11.114 3.686) 13.575 15.339 ( -4.802 -12.964 -3.733) 14.320 15.437 ( -2.165 -10.047 3.553) 10.875 15.465 ( 1.558 -12.172 -0.059) 12.271 15.716 ( -1.345 0.396 1.084) 1.772 15.740 ( -0.187 -2.275 -1.154) 2.557 15.849 ( -2.516 0.795 3.932) 4.735 15.937 ( -4.021 -8.342 -4.403) 10.254 16.349 ( 1.359 0.498 1.114) 1.826 16.369 ( 3.288 -1.045 -0.771) 3.535 17.528 ( 2.120 12.298 24.118) 27.155 17.733 ( 3.857 -7.819 29.536) 30.796 18.011 ( -2.267 17.162 -22.976) 28.768 18.304 ( -3.740 -11.806 -26.483) 29.236 20.150 ( 2.490 2.672 3.808) 5.277 20.191 ( -1.375 -1.164 -0.017) 1.801 20.215 ( -1.711 1.308 4.944) 5.393 20.255 ( 2.768 -2.579 2.256) 4.404 20.496 ( -1.057 1.979 -3.207) 3.914 20.532 ( -1.663 -0.928 -5.326) 5.656 20.656 ( -2.612 2.247 1.067) 3.607 20.697 ( 2.124 -1.640 -2.723) 3.823 20.910 ( -0.228 1.678 2.162) 2.746 20.922 ( -1.087 1.021 0.834) 1.708 21.079 ( -0.606 1.570 -3.332) 3.733 21.110 ( -0.653 -1.381 -4.997) 5.225 21.485 ( 0.139 2.428 0.127) 2.435 21.521 ( -0.065 -1.007 -2.745) 2.924 21.615 ( -0.719 0.433 0.332) 0.903 21.645 ( 2.211 -2.272 -2.276) 3.902 21.903 ( -0.936 2.303 3.629) 4.399 21.926 ( -0.899 0.263 0.948) 1.333 21.971 ( 0.411 6.671 -1.967) 6.967 22.063 ( 3.220 -1.248 -8.597) 9.265 22.372 ( 2.508 5.284 -1.462) 6.029 22.389 ( -1.533 2.691 -2.892) 4.238 22.723 ( -2.410 -4.895 2.778) 6.122 22.772 ( -2.612 -7.975 -1.827) 8.588 23.085 ( -1.518 3.797 0.360) 4.105 23.097 ( 4.531 2.314 -1.010) 5.187 23.181 ( -4.136 -2.850 1.316) 5.192 23.201 ( 8.941 -3.796 -0.582) 9.731 23.802 ( 0.330 7.638 11.367) 13.699 23.915 ( -1.449 -2.854 0.470) 3.235 24.461 ( -1.144 0.003 1.754) 2.094 24.485 ( -1.009 -2.037 -0.724) 2.386 24.779 ( 3.879 4.198 6.764) 8.856 24.848 ( 0.895 -1.403 0.736) 1.820 25.045 ( 1.924 -0.656 1.030) 2.279 25.068 ( -1.564 -1.881 -0.808) 2.576 25.308 ( -3.817 5.575 5.994) 9.032 25.443 ( 0.546 4.254 -5.075) 6.644 25.480 ( -4.327 -8.366 6.342) 11.354 25.639 ( 2.295 -10.935 -6.921) 13.143 26.084 ( -0.366 8.756 2.784) 9.195 26.136 ( -0.656 7.743 -2.199) 8.076 26.231 ( -1.505 -2.978 2.837) 4.379 26.247 ( -0.767 -2.398 1.981) 3.204 26.362 ( 0.767 2.598 4.290) 5.073 26.478 ( 5.039 -4.626 -3.873) 7.861 26.521 ( 0.277 0.301 -1.754) 1.801 26.582 ( 0.289 -3.287 -4.922) 5.926 26.827 ( 2.575 3.346 -0.016) 4.222 26.837 ( -6.130 2.530 -0.538) 6.654 26.928 ( 1.163 -2.109 1.249) 2.713 26.968 ( 0.789 -4.257 -2.947) 5.238 27.196 ( -4.463 -0.525 -0.091) 4.495 27.200 ( 1.697 -0.941 -0.529) 2.011 27.708 ( 1.788 1.658 -1.324) 2.775 27.765 ( 5.453 -3.521 -6.724) 9.346 29.170 ( -6.493 7.756 16.440) 19.302 29.309 ( -2.921 -4.851 6.520) 8.636 29.726 ( -0.073 2.431 -1.453) 2.833 29.842 ( 3.948 -7.279 -9.553) 12.643 ======================= Grid point 126 (70/78) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -11.410 3.934 4.564) 12.903 1.800 ( -6.603 -9.827 2.985) 12.210 2.224 ( 10.833 8.205 -0.131) 13.590 2.458 ( 16.659 -11.726 1.663) 20.440 2.659 ( -1.819 10.138 -12.141) 15.921 2.771 ( 1.029 1.742 4.640) 5.061 2.924 ( 9.576 10.224 8.268) 16.266 3.171 ( 15.657 -9.412 -0.415) 18.273 3.393 ( 9.320 11.056 -0.282) 14.463 3.450 ( 10.373 4.334 -5.882) 12.688 3.657 ( -0.722 3.376 1.518) 3.771 3.753 ( 7.472 -1.947 0.886) 7.772 3.851 ( 1.853 1.554 4.712) 5.296 3.903 ( 4.188 -1.150 4.605) 6.330 4.152 ( 7.764 6.100 -1.899) 10.055 4.255 ( 8.921 -1.014 -1.483) 9.100 4.795 ( -4.631 -1.925 -12.846) 13.790 4.818 ( -4.740 -3.177 -7.112) 9.118 4.971 ( -2.873 0.959 9.378) 9.855 5.005 ( -1.270 1.405 -2.201) 2.904 5.144 ( 3.998 3.639 -3.350) 6.360 5.167 ( 5.741 4.537 -2.286) 7.665 5.323 ( 12.089 0.646 10.055) 15.737 5.347 ( 11.152 -2.561 15.955) 19.634 5.812 ( -1.275 5.104 -1.337) 5.428 5.864 ( 0.075 1.085 -3.587) 3.748 5.978 ( -5.695 2.346 -3.186) 6.934 6.075 ( -10.316 -4.295 -4.853) 12.182 6.421 ( 17.747 7.601 5.230) 20.002 6.525 ( 17.115 -1.511 4.380) 17.731 6.776 ( -1.566 5.512 18.592) 19.455 6.954 ( 10.841 -7.716 7.031) 15.050 6.966 ( 1.424 1.245 -5.161) 5.497 7.029 ( 12.362 0.320 -5.721) 13.625 7.126 ( -0.049 -3.018 -3.519) 4.636 7.139 ( -1.398 -1.929 -21.021) 21.155 7.402 ( -7.253 9.344 -3.041) 12.214 7.501 ( 1.144 11.045 2.523) 11.387 7.739 ( -2.536 -17.125 -2.098) 17.438 7.803 ( 0.967 -12.213 1.182) 12.308 8.117 ( -11.435 8.595 -3.688) 14.772 8.285 ( -2.151 2.184 1.844) 3.577 8.336 ( -12.357 -4.296 -9.311) 16.058 8.523 ( -10.817 -15.208 8.231) 20.398 8.838 ( 7.348 2.193 14.665) 16.549 8.910 ( 8.801 -2.911 20.946) 22.905 8.969 ( 5.697 0.516 -17.494) 18.405 8.995 ( 7.065 -2.574 -14.950) 16.734 9.742 ( 2.887 8.811 2.035) 9.493 9.792 ( 6.172 4.721 -1.660) 7.946 9.822 ( -1.482 -2.615 5.141) 5.955 9.919 ( 3.661 5.318 1.807) 6.704 9.993 ( 3.301 -7.301 -1.362) 8.127 10.099 ( 9.052 -10.908 5.836) 15.329 10.358 ( -2.632 -0.250 -3.949) 4.752 10.433 ( -0.197 -6.003 -5.933) 8.443 10.773 ( -0.767 1.726 -2.318) 2.990 10.776 ( -1.112 1.342 2.599) 3.130 11.157 ( 2.547 1.980 -0.859) 3.339 11.215 ( 3.310 -2.879 -3.373) 5.534 11.356 ( -7.767 4.936 -4.342) 10.176 11.427 ( -8.060 -1.171 2.507) 8.522 11.746 ( 2.483 2.480 6.873) 7.717 11.794 ( 6.749 -2.072 2.851) 7.614 11.866 ( -4.272 -1.520 -0.520) 4.564 11.884 ( -0.089 -1.787 8.164) 8.357 12.245 ( 3.200 0.191 -2.354) 3.977 12.292 ( 5.368 -4.245 -0.671) 6.876 12.506 ( -0.838 2.068 -3.179) 3.884 12.555 ( 1.581 -2.563 -2.111) 3.678 12.723 ( -1.502 -0.869 1.363) 2.206 12.758 ( -0.314 -3.854 -2.110) 4.405 13.124 ( -4.049 10.158 0.326) 10.940 13.285 ( 3.066 -3.748 -2.121) 5.286 13.394 ( -0.331 1.640 -2.110) 2.693 13.447 ( 1.778 -1.776 -0.841) 2.650 13.749 ( -2.476 10.685 2.653) 11.285 13.878 ( 1.532 6.026 3.617) 7.193 13.918 ( -2.810 -2.285 -1.919) 4.099 14.056 ( 2.973 -6.326 -0.019) 6.990 14.643 ( -2.245 22.478 -6.340) 23.462 14.659 ( -0.042 22.181 2.251) 22.295 15.241 ( -0.596 -7.203 -5.191) 8.899 15.371 ( -4.964 -18.466 1.645) 19.193 15.427 ( 4.504 -6.053 1.081) 7.622 15.497 ( 0.475 -12.293 0.258) 12.305 15.670 ( -4.627 2.518 0.157) 5.270 15.743 ( -0.211 -6.109 1.010) 6.196 15.843 ( -2.667 -2.142 2.756) 4.393 15.881 ( -2.879 -5.890 7.823) 10.207 16.375 ( 3.184 1.171 -2.676) 4.321 16.403 ( 3.597 -0.990 -3.678) 5.239 17.646 ( -11.886 13.615 -23.776) 29.865 17.707 ( -8.190 14.978 21.550) 27.492 17.873 ( -14.678 -8.175 -27.238) 32.003 17.982 ( -9.087 -11.309 29.369) 32.757 20.143 ( -2.218 1.901 -2.442) 3.807 20.176 ( -2.584 -1.367 1.046) 3.105 20.264 ( 3.085 4.324 -0.701) 5.358 20.321 ( 4.088 -1.352 -2.399) 4.929 20.433 ( -4.344 2.139 2.283) 5.353 20.498 ( -0.166 -3.785 3.112) 4.903 20.607 ( -5.447 2.707 1.336) 6.228 20.679 ( -2.363 -3.782 -1.441) 4.687 20.948 ( 2.306 3.823 -1.188) 4.620 20.975 ( 5.654 2.232 3.148) 6.846 21.063 ( 0.221 -0.203 0.758) 0.815 21.081 ( 0.471 -1.266 2.331) 2.694 21.458 ( -3.488 1.873 0.698) 4.020 21.476 ( -2.507 0.162 -1.039) 2.718 21.604 ( -1.398 1.908 0.326) 2.387 21.669 ( 2.180 -3.317 -1.896) 4.399 21.861 ( -5.056 3.440 0.378) 6.127 21.912 ( -2.864 -1.041 1.926) 3.605 21.951 ( -1.286 4.905 0.569) 5.103 22.023 ( 1.237 -0.398 -5.495) 5.647 22.279 ( -7.615 5.189 -1.158) 9.287 22.368 ( -1.746 2.006 -1.630) 3.119 22.610 ( -12.898 -5.983 3.626) 14.673 22.671 ( -7.340 -6.888 1.808) 10.227 23.093 ( 4.174 1.642 -3.635) 5.773 23.121 ( 1.524 -1.045 -2.817) 3.369 23.302 ( 13.338 3.736 -1.833) 13.972 23.397 ( 12.387 -5.205 -0.473) 13.445 23.903 ( 4.375 5.081 -1.158) 6.804 23.961 ( 7.064 -0.186 2.230) 7.410 24.486 ( 1.472 -0.175 1.308) 1.977 24.503 ( 2.425 -1.723 1.981) 3.574 24.797 ( -0.833 3.918 -5.361) 6.692 24.862 ( 1.387 -1.553 -1.558) 2.601 25.068 ( 3.593 2.537 -0.476) 4.425 25.122 ( 3.901 -1.320 -0.701) 4.178 25.330 ( -2.173 4.131 8.081) 9.332 25.443 ( 4.885 7.576 -5.643) 10.635 25.497 ( -2.450 -11.339 10.918) 15.930 25.641 ( 4.741 -11.306 -4.743) 13.145 26.084 ( -1.715 8.529 0.440) 8.711 26.129 ( 0.967 5.583 0.998) 5.754 26.218 ( -2.656 -2.198 1.224) 3.658 26.246 ( -0.569 -2.425 1.369) 2.842 26.400 ( 0.994 5.582 -1.423) 5.846 26.470 ( 2.608 0.163 -6.379) 6.893 26.537 ( 0.879 -2.506 -1.850) 3.236 26.591 ( 4.253 -6.411 0.819) 7.737 26.748 ( -3.883 2.968 1.569) 5.133 26.835 ( -2.680 -4.296 2.517) 5.654 26.978 ( 5.868 3.928 -0.294) 7.067 27.054 ( 4.586 -2.929 -3.526) 6.485 27.155 ( 1.775 1.574 2.568) 3.496 27.236 ( 0.865 -6.421 4.256) 7.752 27.747 ( 6.685 3.035 -4.824) 8.785 27.815 ( 8.192 -3.662 -7.450) 11.662 29.203 ( -7.003 5.867 13.983) 16.703 29.296 ( -3.695 -2.134 2.794) 5.100 29.669 ( -4.535 3.988 -1.330) 6.184 29.809 ( 1.117 -8.653 -6.254) 10.735 ======================= Grid point 127 (71/78) ======================= q-point: ( 0.20 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -7.275 5.879 12.573) 15.670 1.790 ( -1.304 -16.560 11.490) 20.198 2.448 ( 6.091 12.680 -0.964) 14.100 2.536 ( 5.281 11.806 -9.292) 15.925 2.708 ( 0.096 -9.616 -6.633) 11.682 2.749 ( 10.685 -9.365 3.174) 14.559 3.216 ( 11.230 8.242 0.989) 13.965 3.317 ( 10.422 -0.201 -12.320) 16.138 3.512 ( 1.169 3.393 -8.161) 8.915 3.585 ( 8.455 0.039 -1.907) 8.667 3.699 ( 16.215 13.661 -0.085) 21.202 3.921 ( 3.015 8.008 6.193) 10.563 3.997 ( 16.613 -10.223 0.896) 19.527 4.057 ( 3.575 -5.417 8.162) 10.428 4.318 ( 14.354 6.846 -3.920) 16.379 4.417 ( 8.262 -0.223 0.788) 8.302 4.604 ( -3.593 1.067 -8.523) 9.311 4.709 ( 2.992 -6.719 -6.395) 9.746 4.899 ( 2.288 7.341 -9.280) 12.052 5.015 ( -2.978 -3.771 7.763) 9.130 5.193 ( 6.792 7.398 -3.727) 10.712 5.310 ( 4.447 -4.291 5.753) 8.443 5.583 ( 0.056 10.549 -3.993) 11.280 5.698 ( 8.387 -1.945 12.689) 15.334 5.727 ( -1.671 1.192 5.846) 6.195 5.819 ( -5.275 -2.935 -1.953) 6.344 5.900 ( 0.426 1.118 0.382) 1.256 5.979 ( 4.384 -3.396 3.115) 6.360 6.642 ( 1.694 7.304 -16.219) 17.869 6.807 ( 0.942 -5.006 -22.999) 23.557 6.836 ( 1.530 6.052 17.395) 18.481 6.854 ( 7.261 2.080 1.602) 7.721 6.992 ( 6.914 0.875 8.017) 10.623 7.153 ( -4.591 -3.017 2.002) 5.847 7.175 ( -3.393 1.273 5.860) 6.889 7.277 ( 8.951 -0.590 -1.761) 9.142 7.413 ( 22.260 1.143 -2.003) 22.379 7.568 ( 3.558 -11.119 1.411) 11.760 7.661 ( 5.686 8.387 -0.781) 10.163 7.855 ( -4.894 -9.378 0.575) 10.594 7.922 ( -2.574 3.209 -0.703) 4.173 8.090 ( -2.789 -9.213 -0.558) 9.642 8.328 ( -4.235 4.822 8.824) 10.911 8.481 ( -4.315 -11.916 11.641) 17.208 8.866 ( 6.565 4.147 -16.007) 17.791 8.921 ( 9.896 1.086 -17.060) 19.752 9.162 ( 5.795 0.625 11.011) 12.458 9.251 ( 7.683 -3.356 15.559) 17.673 9.782 ( -1.416 1.367 2.776) 3.403 9.860 ( 0.503 -8.129 3.119) 8.721 9.924 ( 7.920 4.923 -7.049) 11.690 9.956 ( 7.595 3.039 -5.161) 9.673 10.120 ( 4.431 6.004 7.770) 10.773 10.240 ( 1.415 -6.237 1.696) 6.617 10.418 ( 7.933 -3.516 4.188) 9.635 10.470 ( 11.114 -6.609 4.908) 13.831 10.721 ( -0.516 2.819 -7.221) 7.769 10.760 ( -2.599 -1.065 0.678) 2.890 11.050 ( -8.170 0.816 -4.003) 9.134 11.081 ( -7.543 -1.772 -2.756) 8.224 11.330 ( 3.743 2.408 -3.207) 5.485 11.414 ( 3.387 -5.694 -1.418) 6.775 11.762 ( -7.444 3.630 4.356) 9.358 11.827 ( -1.902 -2.028 4.956) 5.683 11.966 ( 2.568 1.507 9.589) 10.041 12.007 ( 0.323 -0.074 10.777) 10.782 12.202 ( -4.231 2.945 -8.256) 9.733 12.260 ( -3.739 -1.690 -6.008) 7.275 12.512 ( 8.548 -0.794 -6.050) 10.502 12.543 ( 1.482 -3.898 -4.019) 5.792 12.702 ( 3.233 2.460 -6.270) 7.471 12.788 ( 7.844 -5.105 -2.337) 9.646 13.073 ( -2.674 10.226 -0.720) 10.594 13.245 ( -2.007 -5.812 -6.417) 8.888 13.411 ( 4.694 3.426 -1.382) 5.974 13.494 ( 3.606 -4.765 2.521) 6.486 13.760 ( 2.861 8.591 -0.787) 9.089 13.884 ( 0.648 -4.218 -0.373) 4.284 13.931 ( -2.978 9.184 7.599) 12.287 14.096 ( -0.992 -5.334 5.061) 7.420 14.560 ( -1.486 22.907 -2.917) 23.140 14.703 ( 2.861 12.588 3.900) 13.485 15.180 ( -1.916 -4.459 -8.388) 9.691 15.276 ( -7.485 -10.490 2.874) 13.203 15.450 ( -4.701 -4.097 0.498) 6.256 15.460 ( -1.236 -8.368 -2.907) 8.944 15.560 ( -6.718 -0.150 -0.796) 6.766 15.670 ( -8.617 -9.487 -0.852) 12.845 15.912 ( 1.542 -2.764 6.665) 7.378 15.948 ( 3.677 -6.070 7.622) 10.414 16.418 ( 5.320 2.181 -2.821) 6.404 16.456 ( 6.287 -0.999 -2.284) 6.764 17.182 ( -15.286 7.424 -21.157) 27.137 17.302 ( -18.401 -4.363 -26.729) 32.742 17.724 ( -16.171 15.068 20.985) 30.479 17.995 ( -19.608 -11.536 23.964) 33.043 20.074 ( -3.217 2.244 -2.273) 4.534 20.109 ( -4.991 -0.742 -1.160) 5.178 20.248 ( -2.353 4.397 -3.440) 6.058 20.330 ( 0.983 -2.374 -4.451) 5.139 20.419 ( -2.629 2.788 5.599) 6.785 20.502 ( -7.387 -4.890 4.975) 10.160 20.549 ( -0.620 2.118 2.111) 3.055 20.619 ( -1.667 -3.789 1.639) 4.452 20.928 ( -1.656 5.755 -2.889) 6.649 21.033 ( 0.241 -3.996 -2.817) 4.895 21.158 ( 5.577 4.736 6.171) 9.572 21.202 ( 4.650 0.413 6.769) 8.222 21.393 ( -3.894 2.520 -0.297) 4.648 21.421 ( -2.513 -0.471 -0.819) 2.684 21.577 ( -3.656 2.724 3.102) 5.514 21.664 ( -1.121 -4.818 -0.271) 4.955 21.784 ( -2.706 4.267 -0.726) 5.104 21.871 ( -2.135 -3.485 -1.336) 4.300 21.946 ( -0.424 4.534 0.911) 4.644 22.029 ( 2.194 -2.409 -0.965) 3.399 22.141 ( -6.752 7.435 0.744) 10.070 22.309 ( -2.067 -1.545 -1.424) 2.948 22.427 ( -12.093 -1.397 3.083) 12.558 22.541 ( -8.894 -6.222 -0.599) 10.871 23.107 ( 3.873 0.766 -7.231) 8.238 23.126 ( 3.599 -1.281 -5.177) 6.434 23.486 ( 7.902 3.836 0.272) 8.789 23.562 ( 6.769 -2.724 1.440) 7.437 24.039 ( 13.825 4.302 -2.294) 14.660 24.136 ( 10.888 -4.082 1.716) 11.754 24.522 ( 0.718 1.709 1.256) 2.239 24.565 ( 1.642 -2.546 2.213) 3.751 24.780 ( 4.988 4.164 -4.236) 7.756 24.865 ( 4.461 -3.925 -4.459) 7.428 25.116 ( 1.495 3.247 -0.736) 3.650 25.161 ( 2.327 -0.494 -1.826) 2.999 25.382 ( -1.429 6.015 9.147) 11.040 25.485 ( 4.161 2.558 -1.992) 5.275 25.592 ( 2.787 -4.124 5.820) 7.658 25.700 ( 6.372 -8.622 -3.038) 11.143 26.066 ( -0.215 7.486 -0.007) 7.489 26.154 ( 0.456 -0.533 0.307) 0.766 26.182 ( -0.458 2.578 -1.552) 3.044 26.246 ( 0.674 0.344 -1.516) 1.694 26.396 ( 2.649 2.924 -3.714) 5.419 26.464 ( 2.471 -1.643 -4.764) 5.612 26.521 ( -0.460 1.519 -2.185) 2.700 26.665 ( 2.405 -10.706 0.458) 10.982 26.748 ( -1.156 3.389 6.890) 7.765 26.841 ( -1.292 -5.257 5.251) 7.542 26.973 ( -2.452 3.413 -4.223) 5.957 27.048 ( 0.981 -3.559 -4.910) 6.143 27.295 ( 5.535 1.426 9.298) 10.914 27.363 ( 5.336 -4.849 8.759) 11.345 27.841 ( 11.202 2.622 -7.688) 13.837 27.893 ( 10.232 -2.623 -8.738) 13.709 29.201 ( -7.230 3.208 10.696) 13.303 29.248 ( -4.361 -0.895 1.939) 4.856 29.572 ( -3.807 7.157 -3.208) 8.718 29.751 ( -1.570 -9.849 -5.282) 11.286 ======================= Grid point 128 (72/78) ======================= q-point: ( 0.30 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -1.395 12.005 18.875) 22.413 1.947 ( 2.793 -16.792 14.856) 22.593 2.352 ( -1.718 11.914 -11.428) 16.598 2.587 ( 0.388 -8.292 -4.452) 9.420 2.696 ( 5.893 7.021 -7.075) 11.579 2.871 ( 2.482 -6.247 0.528) 6.743 3.237 ( 6.329 4.883 -18.062) 19.751 3.324 ( 8.761 -2.842 -11.265) 14.551 3.623 ( 9.714 7.903 -0.096) 12.523 3.744 ( 12.405 -0.480 1.235) 12.476 3.941 ( 2.457 6.584 3.278) 7.754 4.082 ( 9.149 1.710 8.375) 12.521 4.125 ( 2.630 -1.336 4.120) 5.067 4.270 ( 8.967 -9.463 -3.229) 13.431 4.451 ( 7.979 3.924 -1.637) 9.041 4.496 ( 4.850 -1.362 2.423) 5.590 4.656 ( 8.441 7.239 4.455) 11.980 4.790 ( 5.304 -4.849 1.776) 7.403 4.904 ( 3.503 5.592 -0.807) 6.648 5.032 ( -0.259 -5.325 3.225) 6.231 5.285 ( 5.648 8.163 -0.581) 9.943 5.394 ( -3.772 -1.279 2.680) 4.801 5.467 ( 0.488 4.977 -4.306) 6.599 5.586 ( -9.002 -5.497 -1.307) 10.629 5.767 ( 1.665 4.861 -3.898) 6.450 5.871 ( 2.160 -4.934 2.686) 6.019 6.029 ( 2.657 5.250 8.247) 10.131 6.134 ( 3.819 -3.758 6.657) 8.545 6.507 ( 0.743 7.496 -6.981) 10.271 6.668 ( 5.400 -7.150 -11.874) 14.875 6.796 ( -10.765 2.496 4.173) 11.812 6.908 ( -9.239 -7.922 -3.109) 12.561 7.061 ( -0.137 11.686 4.376) 12.479 7.086 ( -1.804 7.963 12.343) 14.799 7.292 ( -6.740 0.400 7.540) 10.122 7.428 ( 10.330 -10.746 7.687) 16.771 7.608 ( -1.487 0.184 1.596) 2.189 7.669 ( -1.657 -7.209 -4.792) 8.814 7.795 ( 10.865 -0.553 0.336) 10.885 7.841 ( 12.623 -3.473 -1.866) 13.225 8.050 ( 13.964 3.125 0.312) 14.313 8.177 ( 5.551 -8.352 4.365) 10.937 8.353 ( 1.393 9.192 2.470) 9.619 8.594 ( 6.989 -13.812 5.289) 16.358 8.872 ( 9.163 7.341 -10.089) 15.480 9.002 ( 14.667 -2.450 -11.322) 18.690 9.315 ( 4.936 5.827 4.171) 8.702 9.460 ( 5.628 -4.987 6.028) 9.637 9.792 ( 2.926 3.769 0.862) 4.849 9.878 ( 0.919 -3.377 -5.553) 6.564 9.968 ( 4.445 -1.310 -9.856) 10.891 9.975 ( 6.191 -1.529 -7.291) 9.686 10.234 ( -2.085 6.118 7.488) 9.892 10.296 ( 2.669 -0.449 5.486) 6.117 10.602 ( -3.181 3.745 -3.750) 6.181 10.650 ( 10.198 0.914 -3.709) 10.890 10.708 ( 2.393 -2.810 4.697) 5.974 10.754 ( 7.023 -6.199 4.621) 10.445 10.935 ( -4.053 1.139 1.547) 4.486 11.003 ( -1.335 -3.905 1.290) 4.324 11.349 ( 1.379 1.902 -4.176) 4.791 11.456 ( 3.268 -8.076 -3.051) 9.231 11.625 ( -9.251 6.123 -0.196) 11.096 11.769 ( -10.212 -6.703 0.141) 12.216 11.980 ( -1.967 6.768 -3.700) 7.960 12.050 ( -3.233 2.479 9.344) 10.194 12.065 ( -5.897 0.362 -1.149) 6.018 12.174 ( -3.441 -5.254 1.625) 6.487 12.571 ( 4.527 2.285 -0.823) 5.137 12.608 ( 12.039 -0.980 -7.175) 14.049 12.763 ( 8.325 5.101 -3.812) 10.482 12.912 ( 5.133 -6.986 -1.539) 8.805 13.060 ( 7.501 5.428 -5.761) 10.905 13.184 ( 4.480 -4.144 -6.731) 9.085 13.490 ( 3.667 3.050 0.359) 4.784 13.584 ( 2.810 -6.234 3.695) 7.772 13.827 ( 4.645 4.582 0.063) 6.525 13.882 ( -1.639 2.264 0.605) 2.860 13.991 ( 3.978 4.770 7.849) 10.010 14.139 ( -1.933 -4.557 8.619) 9.939 14.530 ( -0.585 23.731 0.543) 23.744 14.844 ( 8.614 1.622 1.545) 8.901 14.940 ( -12.608 0.025 -12.127) 17.494 15.164 ( -10.182 -10.063 2.822) 14.591 15.362 ( -2.266 2.217 -1.411) 3.470 15.398 ( -4.987 -2.297 0.195) 5.494 15.466 ( -8.258 -9.706 -0.147) 12.744 15.471 ( -9.182 -7.316 -0.440) 11.749 16.002 ( 2.625 -0.305 4.347) 5.087 16.059 ( 2.161 -4.766 -0.134) 5.234 16.484 ( 1.893 1.744 -2.842) 3.834 16.531 ( 3.608 -2.305 -2.649) 5.035 16.789 ( -10.480 1.750 -11.223) 15.455 16.811 ( -9.754 -0.657 -15.269) 18.131 17.578 ( -20.149 12.613 13.120) 27.151 17.793 ( -25.678 -8.557 15.058) 30.973 19.990 ( -4.926 1.601 -0.632) 5.218 20.012 ( -3.954 0.112 -0.589) 4.000 20.162 ( -4.727 2.631 0.053) 5.410 20.259 ( -5.008 -5.741 -2.398) 7.987 20.428 ( -1.360 1.971 4.060) 4.714 20.465 ( -2.393 -1.681 5.568) 6.289 20.581 ( 0.316 3.443 4.728) 5.858 20.651 ( -0.363 -2.858 6.060) 6.710 20.863 ( -1.937 6.291 -3.166) 7.305 20.992 ( -1.204 -5.617 -3.072) 6.515 21.238 ( -0.077 4.701 0.328) 4.713 21.257 ( -3.427 3.654 1.726) 5.299 21.365 ( 2.421 0.437 -1.143) 2.712 21.402 ( 0.696 -1.844 -1.922) 2.753 21.534 ( -4.205 2.604 2.598) 5.587 21.639 ( -4.654 -6.272 4.260) 8.897 21.760 ( 0.978 3.144 -3.067) 4.500 21.800 ( -1.284 -0.533 -5.887) 6.049 21.968 ( 1.353 0.999 0.179) 1.691 21.999 ( -1.469 -0.845 -1.095) 2.018 22.115 ( -2.130 5.657 1.796) 6.305 22.260 ( -9.717 -4.958 0.516) 10.921 22.285 ( -1.014 4.053 -0.882) 4.270 22.401 ( -3.954 -4.493 -0.461) 6.003 23.135 ( 5.728 -0.279 -2.474) 6.246 23.143 ( 4.057 -1.326 -3.231) 5.353 23.572 ( 1.561 6.323 2.494) 6.974 23.671 ( 3.972 -2.892 1.751) 5.216 24.272 ( 13.260 1.407 -0.007) 13.335 24.337 ( 10.027 -4.145 1.641) 10.973 24.546 ( 1.366 2.196 1.663) 3.075 24.602 ( 1.017 -3.278 2.100) 4.023 24.859 ( 6.661 4.114 -2.237) 8.143 24.929 ( 5.843 -2.508 -2.268) 6.751 25.113 ( -1.304 2.584 0.096) 2.896 25.153 ( -1.077 -1.150 -2.031) 2.570 25.452 ( 0.034 5.153 7.409) 9.025 25.528 ( 1.716 -0.445 0.370) 1.811 25.681 ( 3.825 2.415 0.474) 4.548 25.771 ( 4.451 -3.910 -3.040) 6.659 26.091 ( 3.121 3.745 0.521) 4.903 26.153 ( 1.379 -1.628 -0.982) 2.349 26.187 ( 3.173 2.570 -3.388) 5.305 26.253 ( 2.178 2.312 -1.973) 3.739 26.405 ( 1.710 0.987 -4.003) 4.463 26.453 ( 1.540 -0.847 -4.246) 4.595 26.507 ( 1.368 2.275 -1.330) 2.969 26.672 ( -1.290 -10.262 -0.595) 10.360 26.796 ( -1.908 0.614 5.217) 5.588 26.838 ( -4.142 -2.409 1.912) 5.159 26.922 ( 0.094 1.238 0.078) 1.244 27.002 ( -0.667 -5.482 -3.562) 6.571 27.489 ( 3.319 1.360 14.357) 14.798 27.531 ( 2.756 -2.508 11.417) 12.009 27.964 ( 12.372 1.270 -9.253) 15.502 27.991 ( 11.546 -1.468 -9.764) 15.193 29.170 ( -7.116 1.521 8.589) 11.257 29.195 ( -5.412 -0.812 4.534) 7.107 29.486 ( -0.509 7.943 -6.944) 10.563 29.656 ( -1.703 -8.437 -8.349) 11.991 ======================= Grid point 129 (73/78) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -4.537 14.664 18.163) 23.781 2.098 ( -2.271 -14.078 14.150) 20.089 2.225 ( 0.898 12.722 -12.855) 18.108 2.511 ( 2.482 -12.909 -12.625) 18.226 2.770 ( 7.959 3.307 -0.708) 8.648 2.898 ( 3.820 -7.668 -3.295) 9.179 3.208 ( 4.161 5.847 -8.526) 11.144 3.355 ( -0.409 -7.760 -5.913) 9.765 3.724 ( 7.926 12.253 -1.049) 14.631 3.942 ( 2.682 -7.045 -0.614) 7.564 3.981 ( 5.317 7.464 3.367) 9.763 4.118 ( -1.575 -4.015 4.807) 6.458 4.340 ( 6.574 2.636 1.518) 7.244 4.378 ( 10.380 1.386 0.142) 10.473 4.519 ( 2.740 5.576 -0.518) 6.234 4.676 ( 2.950 -7.364 4.690) 9.216 4.751 ( -1.719 6.302 1.488) 6.699 4.840 ( -0.890 -2.478 2.243) 3.459 4.974 ( 2.956 6.085 4.403) 8.071 5.111 ( 3.478 -4.396 1.516) 5.807 5.264 ( -5.692 4.980 -3.327) 8.263 5.353 ( -5.192 -4.404 3.793) 7.794 5.486 ( 6.862 3.970 7.319) 10.790 5.585 ( 5.992 -4.671 3.055) 8.189 5.780 ( 2.912 3.477 -1.817) 4.886 5.925 ( 1.734 -8.282 2.429) 8.803 6.066 ( -2.913 6.214 3.327) 7.627 6.184 ( -3.066 -3.315 2.595) 5.208 6.481 ( 0.466 7.386 -2.591) 7.841 6.667 ( 1.863 -9.188 -13.100) 16.110 6.844 ( 6.256 1.554 11.010) 12.758 6.850 ( 3.590 0.333 14.866) 15.297 7.069 ( -2.061 6.300 0.880) 6.687 7.122 ( -7.894 2.754 11.959) 14.592 7.188 ( -8.831 10.165 5.823) 14.670 7.451 ( -8.920 -9.467 3.949) 13.593 7.633 ( 4.468 -1.995 1.884) 5.244 7.720 ( 1.674 -8.320 3.412) 9.147 7.882 ( 0.300 2.198 -0.161) 2.224 7.952 ( -0.288 -2.645 4.021) 4.822 8.157 ( 2.489 2.718 -12.176) 12.722 8.292 ( 3.859 -8.256 0.014) 9.113 8.546 ( 19.171 9.811 0.742) 21.548 8.803 ( 15.090 -12.514 -1.525) 19.663 8.916 ( 6.462 8.348 -10.424) 14.836 9.068 ( 7.853 -4.443 -12.258) 15.220 9.448 ( 2.044 6.045 2.078) 6.711 9.572 ( -1.699 -5.877 2.205) 6.503 9.748 ( -1.407 4.603 -9.887) 10.996 9.822 ( 0.916 -2.621 -7.399) 7.902 10.021 ( 12.077 3.136 -0.536) 12.489 10.071 ( 7.287 -1.557 -2.119) 7.747 10.235 ( 1.015 3.502 -3.752) 5.232 10.320 ( -1.490 -1.745 -5.111) 5.603 10.485 ( -8.929 7.425 2.861) 11.960 10.653 ( -4.146 -8.947 0.967) 9.908 10.778 ( 1.770 6.109 -3.112) 7.081 10.851 ( 5.452 0.089 -0.544) 5.480 10.963 ( -4.489 -3.442 3.319) 6.559 11.019 ( -0.447 -7.516 6.295) 9.814 11.287 ( -1.109 -0.304 -4.826) 4.961 11.360 ( -4.202 -6.897 -9.910) 12.784 11.596 ( 2.152 3.864 5.045) 6.709 11.672 ( 1.420 -2.668 2.340) 3.822 11.911 ( -8.715 3.460 2.733) 9.766 11.976 ( -3.469 -1.698 2.267) 4.479 12.070 ( -1.087 3.089 2.344) 4.027 12.147 ( -0.346 -2.191 -1.173) 2.509 12.669 ( 7.689 9.997 -1.134) 12.663 12.760 ( 8.204 6.577 -2.190) 10.740 12.875 ( 6.723 -1.609 0.083) 6.913 12.985 ( 6.459 -8.846 0.270) 10.956 13.142 ( 6.563 2.498 -5.246) 8.765 13.249 ( 6.108 -5.515 -4.714) 9.484 13.554 ( 4.117 4.596 2.638) 6.710 13.663 ( 3.670 -5.883 1.763) 7.154 13.871 ( 2.262 4.364 1.254) 5.073 13.930 ( 3.594 -0.216 2.564) 4.420 14.106 ( -4.498 1.160 3.052) 5.559 14.163 ( -2.298 -2.451 3.234) 4.663 14.569 ( 5.825 18.365 2.163) 19.387 14.690 ( -1.902 5.427 -4.435) 7.262 14.910 ( 0.779 -4.641 -7.468) 8.827 15.005 ( -12.233 -7.153 3.361) 14.564 15.224 ( -13.635 1.298 0.922) 13.728 15.340 ( -1.395 -7.901 3.260) 8.661 15.358 ( -2.259 -2.056 3.575) 4.702 15.415 ( 0.435 -4.460 -3.773) 5.858 15.961 ( -8.383 0.325 -6.480) 10.601 16.021 ( -3.631 -6.026 -1.667) 7.230 16.366 ( 1.096 4.248 -11.257) 12.081 16.475 ( -1.846 -5.611 -7.277) 9.372 16.729 ( 3.891 4.965 5.774) 8.551 16.805 ( 7.085 -2.225 5.841) 9.449 17.324 ( -17.999 8.606 3.586) 20.271 17.462 ( -23.306 -5.014 5.305) 24.423 19.934 ( -2.001 2.341 2.331) 3.862 19.976 ( -1.222 -1.065 1.884) 2.485 20.100 ( -3.516 0.737 1.534) 3.906 20.162 ( -4.202 -4.478 -0.423) 6.155 20.451 ( -0.855 2.002 3.783) 4.364 20.480 ( -1.306 -0.882 3.295) 3.652 20.642 ( -0.884 4.649 8.265) 9.524 20.720 ( 0.398 -2.318 8.878) 9.185 20.825 ( 0.902 5.451 -2.326) 5.994 20.952 ( -0.077 -5.799 -2.192) 6.200 21.189 ( -4.093 5.442 -0.050) 6.810 21.234 ( 0.511 1.218 -0.876) 1.585 21.342 ( -1.452 -0.438 -6.223) 6.405 21.382 ( 0.849 -3.996 -7.456) 8.502 21.506 ( -2.009 1.826 3.238) 4.226 21.590 ( -3.961 -4.484 2.990) 6.689 21.727 ( 0.139 2.680 -3.611) 4.499 21.762 ( 2.388 0.116 -6.479) 6.906 21.944 ( -1.210 5.181 -1.651) 5.571 22.021 ( 0.220 0.850 -0.190) 0.898 22.037 ( -3.644 0.225 -1.434) 3.922 22.086 ( -7.181 -5.133 -4.000) 9.691 22.291 ( 1.515 4.106 1.092) 4.511 22.385 ( -1.421 -4.184 1.502) 4.667 23.211 ( 5.137 1.257 1.421) 5.476 23.250 ( 5.991 -2.196 2.636) 6.904 23.606 ( -0.334 7.214 3.274) 7.930 23.720 ( 0.455 -3.550 0.461) 3.609 24.451 ( 6.083 0.136 2.675) 6.646 24.485 ( 4.628 -2.965 2.761) 6.151 24.613 ( 4.041 1.129 1.749) 4.546 24.655 ( 2.719 -2.887 2.089) 4.482 24.936 ( 4.488 3.797 -1.877) 6.171 24.996 ( 3.646 -1.812 -1.003) 4.193 25.077 ( -2.950 1.294 0.114) 3.223 25.093 ( -3.124 -0.158 -2.152) 3.796 25.512 ( -0.828 3.579 5.666) 6.753 25.558 ( 0.665 -0.243 2.166) 2.279 25.718 ( 2.053 4.319 -2.834) 5.559 25.784 ( 1.738 -1.037 -4.307) 4.759 26.161 ( 3.524 3.015 0.891) 4.722 26.198 ( 4.254 1.005 -0.914) 4.466 26.230 ( 3.902 -1.342 0.050) 4.126 26.276 ( 2.924 2.164 -2.430) 4.375 26.368 ( -0.868 3.009 -3.749) 4.885 26.457 ( 2.880 -1.021 -3.421) 4.586 26.509 ( 0.238 1.025 -3.159) 3.330 26.607 ( -4.527 -6.721 -2.351) 8.437 26.775 ( -1.386 -1.404 0.012) 1.973 26.793 ( -3.609 -4.571 2.053) 6.175 26.932 ( -0.782 -0.026 1.961) 2.111 26.971 ( -0.627 -3.780 -0.742) 3.903 27.668 ( -0.071 0.131 16.100) 16.101 27.682 ( 0.917 -1.101 13.902) 13.976 28.060 ( 9.417 0.628 -10.447) 14.079 28.077 ( 10.022 -1.098 -11.110) 15.003 29.133 ( -7.372 1.556 9.455) 12.090 29.160 ( -6.010 -1.101 8.609) 10.556 29.420 ( 2.790 6.028 -10.821) 12.697 29.542 ( 0.200 -5.744 -11.936) 13.248 ======================= Grid point 130 (74/78) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -7.957 15.940 16.650) 24.385 2.130 ( 3.617 13.762 -13.632) 19.705 2.173 ( -5.963 -15.204 15.570) 22.564 2.450 ( 3.950 -15.172 -12.450) 20.019 2.881 ( 0.912 -1.924 1.919) 2.867 2.915 ( -3.405 -5.242 -0.165) 6.253 3.218 ( 4.695 -0.618 -7.162) 8.586 3.238 ( 3.903 -2.445 -7.473) 8.779 3.861 ( -0.396 8.979 3.671) 9.708 3.923 ( 1.013 5.305 -1.437) 5.589 4.083 ( -0.814 -1.069 3.338) 3.598 4.129 ( 0.149 -3.303 -0.018) 3.306 4.453 ( 4.943 6.077 2.028) 8.092 4.486 ( -0.035 4.864 -0.094) 4.865 4.543 ( -0.037 -1.269 -0.787) 1.494 4.574 ( -5.587 -0.881 -3.048) 6.425 4.762 ( -3.724 2.605 6.476) 7.911 4.846 ( 1.794 -3.718 -2.473) 4.812 5.058 ( -0.072 6.223 6.663) 9.117 5.161 ( 2.857 -0.151 -1.139) 3.079 5.207 ( 1.701 -0.673 0.729) 1.969 5.241 ( -6.263 -0.545 -0.448) 6.302 5.656 ( -1.111 1.959 8.567) 8.858 5.781 ( 1.036 -6.857 6.337) 9.394 5.833 ( 7.540 1.484 0.320) 7.692 5.953 ( -1.111 -6.292 -3.582) 7.324 6.049 ( -4.426 2.238 6.190) 7.932 6.110 ( -4.354 -3.570 2.196) 6.044 6.501 ( 3.995 3.656 -2.881) 6.134 6.570 ( 2.242 -2.736 -10.596) 11.170 6.895 ( -10.136 6.046 7.624) 14.051 6.962 ( -7.947 -1.864 5.624) 9.913 7.126 ( 0.481 10.297 8.480) 13.348 7.226 ( 13.339 4.983 6.264) 15.556 7.291 ( 3.228 -1.473 21.770) 22.057 7.373 ( -6.092 -6.193 7.023) 11.171 7.689 ( -1.551 -4.267 1.308) 4.725 7.714 ( -3.895 -5.725 -0.861) 6.978 7.813 ( 3.006 3.585 -13.605) 14.386 7.942 ( 3.908 -8.814 -19.680) 21.915 8.133 ( 0.061 9.630 16.911) 19.461 8.324 ( 1.160 -9.023 5.993) 10.894 8.679 ( -1.039 14.682 -10.038) 17.816 8.830 ( 4.651 2.999 -17.891) 18.728 9.150 ( 17.349 2.289 -2.690) 17.705 9.194 ( -16.503 1.167 -5.103) 17.314 9.239 ( 5.927 -3.633 1.139) 7.045 9.352 ( -3.111 -12.292 -8.553) 15.295 9.768 ( 1.817 0.753 -0.634) 2.067 9.812 ( -2.671 -2.490 -4.872) 6.089 10.082 ( -5.868 3.124 2.278) 7.027 10.103 ( -3.590 0.958 0.861) 3.814 10.169 ( -4.838 7.307 2.699) 9.169 10.292 ( 7.525 -2.480 -8.412) 11.556 10.485 ( 0.770 -2.647 0.567) 2.814 10.559 ( 3.250 -7.218 -6.668) 10.349 10.822 ( -0.176 6.124 6.653) 9.044 10.866 ( -5.744 -0.331 1.110) 5.860 10.939 ( 2.684 -3.314 1.106) 4.406 11.006 ( 1.613 -8.193 -3.141) 8.922 11.250 ( -0.961 0.002 0.684) 1.179 11.282 ( -0.951 -2.828 -1.605) 3.388 11.698 ( 2.228 2.554 1.697) 3.791 11.728 ( -0.991 0.073 -1.447) 1.756 11.846 ( -2.062 2.533 11.686) 12.133 11.936 ( -4.451 -5.617 7.730) 10.541 12.078 ( 4.494 3.897 -7.643) 9.685 12.123 ( 1.971 0.161 -7.435) 7.694 12.767 ( 2.383 13.777 0.379) 13.986 12.776 ( -4.154 11.505 -1.188) 12.289 12.957 ( -0.174 -5.077 3.615) 6.235 13.055 ( 1.191 -9.908 -4.124) 10.798 13.199 ( 0.989 -0.345 1.250) 1.631 13.263 ( 2.509 -5.801 -4.807) 7.941 13.668 ( 1.825 3.608 2.325) 4.664 13.711 ( 1.105 -1.213 -2.388) 2.898 13.932 ( -1.325 3.369 3.731) 5.199 13.968 ( -2.288 3.147 1.303) 4.103 14.032 ( 1.614 -1.909 2.413) 3.474 14.082 ( -3.191 -3.137 -0.658) 4.523 14.699 ( -0.106 7.765 -1.173) 7.854 14.723 ( 0.003 7.031 -1.893) 7.281 14.812 ( -14.926 -0.517 6.850) 16.431 14.904 ( 16.640 -2.281 -2.061) 16.922 15.134 ( 2.784 -0.790 2.359) 3.734 15.258 ( -3.809 -4.894 -6.867) 9.253 15.390 ( 2.732 -1.846 1.050) 3.460 15.423 ( -0.676 -4.368 -1.158) 4.570 15.825 ( -1.496 -1.432 2.600) 3.324 15.913 ( -3.760 -10.295 -3.011) 11.366 16.341 ( -2.247 2.249 -4.771) 5.734 16.369 ( 2.741 -0.734 -6.513) 7.105 16.946 ( 9.839 5.273 8.431) 13.989 17.029 ( 5.060 -1.954 4.940) 7.337 17.092 ( -4.460 4.122 -0.138) 6.075 17.165 ( -8.173 -2.198 -2.832) 8.925 19.960 ( 1.158 2.203 3.090) 3.968 19.987 ( 0.052 0.523 0.771) 0.933 20.078 ( -0.575 -1.186 2.054) 2.441 20.114 ( -0.623 -3.670 -1.071) 3.874 20.469 ( -0.585 2.040 2.876) 3.574 20.487 ( -0.232 0.276 1.253) 1.304 20.708 ( -0.844 5.335 8.373) 9.964 20.804 ( 0.945 -1.623 1.846) 2.633 20.864 ( 2.497 2.335 5.873) 6.796 20.954 ( 1.235 -4.224 -0.197) 4.406 21.136 ( -0.446 4.378 -1.429) 4.627 21.214 ( -3.624 -0.790 -10.212) 10.864 21.244 ( 0.568 -0.139 0.623) 0.855 21.299 ( -1.232 -3.901 -6.170) 7.403 21.507 ( -3.460 2.984 4.980) 6.758 21.581 ( 0.763 -2.840 0.311) 2.957 21.698 ( 0.834 3.103 -3.756) 4.943 21.755 ( 4.430 -1.706 -6.144) 7.764 21.911 ( -0.185 2.976 -0.188) 2.988 21.942 ( -2.435 0.675 -2.846) 3.806 22.006 ( -0.805 1.012 2.054) 2.427 22.042 ( 0.629 -2.350 -1.706) 2.972 22.338 ( 2.270 -0.464 1.382) 2.698 22.359 ( -1.772 -2.251 -0.560) 2.919 23.307 ( 2.615 1.871 1.849) 3.709 23.329 ( 0.892 -0.099 0.015) 0.897 23.642 ( 0.398 3.543 4.551) 5.781 23.701 ( -1.912 -1.852 -1.232) 2.934 24.535 ( -0.791 -0.880 3.937) 4.111 24.544 ( -0.349 -1.516 2.712) 3.126 24.681 ( 1.817 0.407 1.096) 2.161 24.703 ( 1.086 -1.592 -0.782) 2.080 24.962 ( -1.098 1.684 -0.022) 2.011 24.992 ( -3.528 -0.903 -1.922) 4.118 25.043 ( 0.560 1.130 -0.072) 1.263 25.057 ( 2.050 -0.237 -1.163) 2.369 25.532 ( -2.929 4.541 5.575) 7.764 25.591 ( 0.330 -0.514 2.448) 2.523 25.714 ( 1.276 3.472 -3.113) 4.835 25.762 ( 1.215 -0.656 -5.077) 5.261 26.212 ( 0.180 5.280 1.839) 5.594 26.237 ( -0.270 2.471 -0.075) 2.486 26.267 ( 0.522 1.822 -2.016) 2.767 26.295 ( 1.212 -1.210 -3.418) 3.823 26.356 ( 1.787 1.533 2.736) 3.610 26.439 ( -3.009 0.609 -5.176) 6.018 26.486 ( 1.477 -4.295 -0.561) 4.576 26.506 ( -1.143 -2.682 -3.443) 4.512 26.763 ( -1.436 -4.072 1.796) 4.676 26.768 ( -0.883 -4.591 1.013) 4.784 26.942 ( 0.552 -0.229 1.326) 1.454 26.965 ( 1.114 -2.264 -1.169) 2.781 27.790 ( -3.139 0.355 14.741) 15.075 27.809 ( -2.915 -1.488 14.241) 14.613 28.067 ( 4.803 1.192 -13.113) 14.016 28.098 ( 6.086 -1.805 -13.841) 15.227 29.106 ( -8.291 2.808 12.264) 15.067 29.159 ( -6.356 -2.377 12.714) 14.411 29.378 ( 5.399 3.819 -11.657) 13.402 29.451 ( 4.044 -3.218 -13.115) 14.097 ======================= Grid point 131 (75/78) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -3.955 14.064 18.855) 23.853 2.085 ( 3.010 14.194 -10.737) 18.050 2.198 ( -4.324 -14.489 12.321) 19.505 2.390 ( -0.546 -14.490 -8.257) 16.686 2.785 ( -8.895 -1.286 0.844) 9.027 2.821 ( -4.197 -5.382 -1.024) 6.901 3.202 ( -0.404 6.512 -6.866) 9.472 3.348 ( 6.845 -7.565 -5.750) 11.711 3.732 ( -9.415 11.727 0.171) 15.039 3.933 ( -4.055 -6.406 0.745) 7.618 4.021 ( -4.082 7.365 -0.354) 8.428 4.146 ( -0.158 -3.244 1.301) 3.499 4.366 ( -8.514 4.304 -1.285) 9.626 4.399 ( -9.955 -0.234 -1.013) 10.009 4.515 ( -0.870 5.379 0.210) 5.453 4.667 ( 4.009 -6.082 4.700) 8.669 4.727 ( -4.103 6.430 2.960) 8.182 4.853 ( -1.166 -3.653 0.454) 3.862 5.082 ( -2.867 7.660 -1.558) 8.326 5.136 ( -2.473 2.259 -4.766) 5.826 5.195 ( 3.090 5.711 3.126) 7.207 5.345 ( 7.350 -7.698 4.119) 11.412 5.608 ( -10.405 5.819 0.252) 11.925 5.691 ( -14.242 -0.203 -7.351) 16.028 5.763 ( -4.226 -3.465 -5.292) 7.607 5.883 ( -3.054 -12.467 6.746) 14.501 6.058 ( -0.128 4.072 5.102) 6.529 6.181 ( 2.719 -6.839 6.536) 9.843 6.497 ( 1.943 3.269 -5.046) 6.318 6.541 ( -2.454 -0.875 -4.615) 5.299 6.853 ( -14.428 2.121 10.757) 18.121 6.862 ( -3.277 1.680 10.014) 10.669 7.197 ( 6.101 9.816 -6.430) 13.226 7.319 ( 3.611 -1.581 -7.437) 8.417 7.421 ( 1.788 8.295 3.693) 9.254 7.521 ( -4.315 1.074 -0.159) 4.450 7.564 ( -4.884 -3.655 17.690) 18.712 7.645 ( 4.360 -9.949 -7.944) 13.457 7.768 ( -2.040 -1.187 -12.424) 12.646 7.868 ( 5.524 -8.788 -5.185) 11.603 8.380 ( 0.146 10.232 -6.829) 12.303 8.445 ( 2.201 6.676 2.355) 7.414 8.536 ( 1.313 4.169 7.536) 8.712 8.689 ( -17.495 -4.009 2.251) 18.089 8.790 ( 5.577 0.127 -10.157) 11.588 8.984 ( -12.389 -13.949 -2.437) 18.815 9.482 ( -0.194 7.135 -3.565) 7.979 9.581 ( -2.076 -0.331 1.478) 2.569 9.638 ( 6.792 -0.886 5.592) 8.842 9.672 ( -6.136 -9.309 -0.139) 11.150 9.969 ( -13.228 3.381 2.432) 13.868 10.072 ( -13.892 -5.554 4.647) 15.666 10.112 ( 4.558 10.281 -0.079) 11.246 10.309 ( 8.979 -9.433 -3.638) 13.522 10.529 ( 9.156 7.072 -2.579) 11.853 10.646 ( 3.541 -3.464 0.962) 5.046 10.778 ( -4.803 0.578 -0.715) 4.890 10.851 ( -4.634 -5.369 3.918) 8.102 10.985 ( 5.143 4.528 0.160) 6.854 11.099 ( 7.237 -5.364 -2.274) 9.291 11.224 ( -3.477 -1.461 -0.027) 3.771 11.245 ( -2.116 -3.832 2.101) 4.856 11.648 ( -3.381 3.525 0.481) 4.908 11.689 ( -2.873 -0.214 0.178) 2.887 11.967 ( 1.486 4.677 4.249) 6.491 12.018 ( 4.694 0.518 4.519) 6.537 12.060 ( 1.927 -0.093 -5.971) 6.275 12.115 ( 6.602 -3.781 -3.451) 8.354 12.628 ( -10.724 12.081 1.245) 16.202 12.739 ( -7.704 9.729 1.069) 12.455 12.916 ( -7.578 -9.781 -0.570) 12.386 12.962 ( -5.844 -7.392 -1.421) 9.530 13.145 ( -5.400 2.112 -2.900) 6.483 13.225 ( -4.514 -4.310 -2.577) 6.752 13.576 ( -7.347 4.018 -0.631) 8.398 13.673 ( -4.079 -5.068 -0.551) 6.529 13.906 ( -3.199 4.996 0.319) 5.941 13.970 ( -0.287 2.271 1.087) 2.534 14.104 ( 7.006 -0.149 1.359) 7.138 14.171 ( 5.628 -3.227 2.093) 6.817 14.608 ( -6.711 23.486 -1.411) 24.467 14.643 ( -1.607 4.516 -1.171) 4.934 14.776 ( -0.249 -4.424 5.470) 7.039 15.143 ( 8.362 -12.604 -9.107) 17.655 15.223 ( 6.136 0.264 1.499) 6.322 15.287 ( 10.961 -5.202 2.396) 12.368 15.382 ( 1.712 0.162 -1.093) 2.038 15.467 ( 4.152 -5.744 -1.210) 7.190 15.890 ( 2.916 -3.261 1.315) 4.568 15.922 ( 3.931 -6.986 8.106) 11.400 16.250 ( -0.701 7.479 -1.436) 7.648 16.410 ( 4.198 -7.796 -1.236) 8.940 16.834 ( -9.395 5.240 -4.259) 11.570 16.902 ( -10.002 -1.263 -3.697) 10.738 17.332 ( 22.063 9.632 2.776) 24.234 17.490 ( 27.112 -6.006 2.525) 27.884 19.982 ( 0.850 2.500 -2.170) 3.418 20.001 ( 1.318 1.212 0.175) 1.799 20.120 ( 2.314 -2.971 -0.843) 3.859 20.126 ( 2.940 -3.047 2.614) 4.976 20.496 ( 1.116 1.291 1.688) 2.400 20.500 ( 1.094 1.055 -0.034) 1.521 20.760 ( -0.251 5.559 3.521) 6.585 20.807 ( 1.676 2.861 -4.404) 5.513 20.903 ( -2.742 -0.133 -5.658) 6.289 20.942 ( -0.962 -4.932 -1.249) 5.178 21.123 ( 0.985 1.909 2.433) 3.246 21.189 ( 3.669 -3.074 5.564) 7.340 21.232 ( -2.239 0.565 0.225) 2.321 21.275 ( 1.742 -2.119 1.767) 3.263 21.508 ( -0.052 4.853 2.860) 5.633 21.600 ( -0.173 -3.064 2.438) 3.919 21.708 ( 4.952 5.123 -4.351) 8.348 21.785 ( 5.236 -2.303 -5.335) 7.822 21.905 ( 0.743 4.310 1.432) 4.602 21.990 ( 4.445 -0.363 2.872) 5.304 22.014 ( 0.264 -0.678 0.487) 0.875 22.052 ( 3.371 -2.731 -0.533) 4.371 22.318 ( -1.221 1.950 -1.719) 2.872 22.393 ( 2.448 -4.427 0.602) 5.095 23.263 ( -4.975 2.645 -2.817) 6.300 23.314 ( -3.016 -2.047 -3.060) 4.759 23.652 ( -1.894 3.086 -1.275) 3.839 23.688 ( -0.692 -0.363 3.712) 3.793 24.468 ( -9.364 1.128 1.422) 9.538 24.521 ( -5.261 -3.616 0.415) 6.397 24.663 ( -1.951 1.436 -3.759) 4.472 24.700 ( -0.248 -2.000 -1.563) 2.551 24.894 ( -5.109 2.077 0.074) 5.515 24.931 ( -5.324 -1.350 3.914) 6.745 25.082 ( 2.914 0.738 0.060) 3.006 25.091 ( 2.272 -0.411 -0.149) 2.314 25.523 ( -4.228 5.980 5.064) 8.904 25.606 ( -0.154 -0.844 -0.260) 0.896 25.709 ( -0.073 1.208 -0.139) 1.218 25.738 ( 1.515 -0.440 -4.158) 4.447 26.169 ( -4.163 4.080 -0.177) 5.831 26.197 ( -4.914 0.776 -0.577) 5.009 26.236 ( -1.689 4.454 0.170) 4.767 26.270 ( -2.743 -1.832 -2.507) 4.143 26.340 ( -2.236 3.373 -1.278) 4.244 26.387 ( -1.761 -0.857 2.667) 3.309 26.478 ( 1.835 -0.177 -0.426) 1.892 26.575 ( 5.431 -8.094 0.564) 9.764 26.762 ( -0.226 -2.151 1.431) 2.594 26.787 ( 1.596 -4.810 2.258) 5.548 26.963 ( 1.411 0.408 -1.294) 1.957 26.993 ( 3.135 -2.473 -1.501) 4.265 27.833 ( -7.955 -0.153 13.196) 15.409 27.842 ( -7.982 -0.901 11.705) 14.196 27.977 ( 1.473 1.483 -15.984) 16.120 28.012 ( 1.943 -2.036 -17.706) 17.928 29.081 ( -9.267 4.214 13.597) 16.986 29.173 ( -6.764 -4.752 12.700) 15.153 29.395 ( 8.103 3.547 -8.285) 12.119 29.455 ( 9.008 -2.083 -8.341) 12.453 ======================= Grid point 132 (76/78) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -1.092 8.921 -10.428) 13.766 2.052 ( -0.691 14.245 15.693) 21.206 2.203 ( -3.733 -11.373 -9.616) 15.354 2.363 ( 1.164 -11.208 13.679) 17.722 2.697 ( 0.301 7.313 -2.290) 7.669 2.825 ( 0.194 -3.943 7.637) 8.597 2.987 ( -15.916 11.459 -1.069) 19.642 3.238 ( -11.418 -10.234 -4.081) 15.866 3.644 ( -5.001 7.862 -0.874) 9.359 3.801 ( -9.843 -5.470 -3.019) 11.659 3.967 ( -5.714 9.091 0.794) 10.767 4.143 ( -8.267 0.962 2.441) 8.673 4.189 ( -3.528 -3.689 -1.916) 5.452 4.216 ( -11.254 -2.569 1.041) 11.590 4.451 ( -7.273 4.981 -1.151) 8.890 4.552 ( -10.103 -4.807 -2.357) 11.434 4.696 ( -20.172 4.849 2.892) 20.947 4.782 ( -5.159 -2.747 3.567) 6.848 4.950 ( -5.966 8.449 -5.475) 11.703 5.044 ( -1.618 1.630 -0.980) 2.497 5.305 ( -9.568 8.237 -3.391) 13.072 5.332 ( 5.674 8.887 3.138) 11.001 5.466 ( -7.132 -6.488 0.110) 9.642 5.542 ( 7.798 -8.887 2.434) 12.071 5.705 ( -2.356 6.589 1.496) 7.156 5.893 ( -0.343 -10.576 0.208) 10.583 6.147 ( 4.672 1.776 1.473) 5.210 6.240 ( -0.788 -5.796 -2.287) 6.281 6.407 ( -7.003 1.227 3.992) 8.154 6.448 ( -11.630 -2.959 7.051) 13.919 6.769 ( -0.167 7.785 3.847) 8.685 6.874 ( 1.292 -3.665 -0.249) 3.894 7.225 ( 2.824 7.875 -6.674) 10.702 7.333 ( -0.070 -0.083 2.569) 2.572 7.388 ( 1.636 1.766 -12.147) 12.383 7.450 ( -10.269 -2.448 5.754) 12.023 7.583 ( -5.244 0.071 4.215) 6.728 7.638 ( -4.499 -0.307 -5.336) 6.986 7.740 ( 4.620 -6.268 -1.050) 7.857 7.812 ( -0.096 -7.609 -7.021) 10.353 8.163 ( -14.846 2.454 -1.922) 15.170 8.180 ( -10.611 1.067 -0.013) 10.665 8.623 ( 3.164 1.723 -14.537) 14.977 8.711 ( -6.365 -0.713 3.235) 7.175 8.829 ( 4.667 -1.662 -7.297) 8.819 8.882 ( 0.266 -2.152 -3.079) 3.766 9.290 ( -5.793 8.472 5.414) 11.604 9.468 ( -6.810 -8.639 5.782) 12.427 9.664 ( -4.286 -0.432 8.277) 9.331 9.711 ( -6.267 -2.354 2.816) 7.262 9.909 ( 0.454 -2.997 -0.448) 3.064 9.955 ( 0.878 -4.975 -1.300) 5.216 10.231 ( 6.049 9.992 4.702) 12.591 10.393 ( 2.731 -5.647 -1.720) 6.504 10.583 ( -6.149 4.742 0.076) 7.766 10.620 ( -8.532 1.987 -3.862) 9.574 10.757 ( 7.741 4.272 2.631) 9.225 10.820 ( -2.711 -3.876 -2.586) 5.391 11.012 ( -0.606 -3.321 -1.739) 3.798 11.044 ( -4.174 -6.023 -6.199) 9.599 11.251 ( 1.097 0.764 4.784) 4.967 11.320 ( 3.238 -4.928 8.661) 10.477 11.659 ( 4.445 3.196 -2.758) 6.130 11.699 ( 6.166 0.744 5.152) 8.070 11.965 ( -0.084 4.609 -2.399) 5.197 12.047 ( 1.841 -0.374 -1.575) 2.451 12.127 ( 2.626 3.879 2.250) 5.197 12.249 ( 6.636 -5.987 0.217) 8.940 12.476 ( -10.424 6.723 5.453) 13.550 12.562 ( -10.960 3.975 -1.121) 11.713 12.752 ( -7.567 -4.652 -3.334) 9.487 12.852 ( -7.944 -8.752 2.141) 12.012 13.016 ( -5.423 3.050 -0.705) 6.262 13.095 ( -8.213 -3.624 2.251) 9.255 13.479 ( -4.011 6.468 1.248) 7.712 13.633 ( -0.888 -7.296 -1.024) 7.420 13.872 ( -1.104 2.718 -3.868) 4.854 13.924 ( -0.351 -0.904 -3.653) 3.779 14.090 ( -7.461 10.642 -1.562) 13.090 14.289 ( 5.819 -4.251 -4.395) 8.441 14.569 ( 0.257 21.044 -2.977) 21.255 14.692 ( 7.111 5.534 8.344) 12.280 14.816 ( 0.167 -0.137 3.964) 3.970 15.228 ( 8.565 -17.483 -2.528) 19.632 15.299 ( 2.045 5.385 3.366) 6.672 15.409 ( 1.190 -4.368 -0.844) 4.605 15.483 ( 11.149 -2.619 -1.163) 11.512 15.548 ( 8.564 -11.561 -5.312) 15.336 15.965 ( -1.476 1.430 6.109) 6.446 16.024 ( -0.613 -5.572 4.178) 6.991 16.368 ( 12.067 4.879 4.525) 13.780 16.507 ( 7.126 -8.050 0.128) 10.752 16.665 ( -7.062 3.786 0.307) 8.019 16.715 ( -6.820 -0.766 -1.125) 6.955 17.744 ( 25.197 14.377 -3.430) 29.212 17.982 ( 29.715 -9.144 -3.967) 31.343 19.993 ( 2.381 2.159 -1.061) 3.385 20.021 ( 2.569 0.400 -1.296) 2.905 20.160 ( 2.492 -0.802 0.158) 2.622 20.207 ( 2.976 -4.340 2.533) 5.840 20.504 ( 0.981 1.927 -2.612) 3.391 20.531 ( 1.614 -0.805 -0.574) 1.893 20.726 ( -2.161 4.277 -8.975) 10.175 20.766 ( -2.169 3.621 -3.093) 5.233 20.816 ( 1.334 2.162 -0.143) 2.544 20.945 ( 1.375 -7.709 1.907) 8.060 21.201 ( 0.980 3.599 3.620) 5.198 21.232 ( 1.813 1.572 5.326) 5.842 21.317 ( 1.439 -1.757 3.629) 4.281 21.342 ( 5.144 -2.966 1.499) 6.124 21.561 ( 4.101 4.237 0.452) 5.914 21.625 ( -0.096 -0.990 2.360) 2.561 21.762 ( 5.676 4.712 -3.783) 8.291 21.828 ( 5.148 -2.165 -3.593) 6.641 21.942 ( 0.760 2.680 2.043) 3.455 22.022 ( 2.442 -2.990 -3.421) 5.159 22.093 ( 5.966 5.048 3.147) 8.425 22.205 ( 10.488 -3.888 4.583) 12.088 22.294 ( 1.101 4.384 -1.841) 4.881 22.424 ( 1.749 -6.065 -1.550) 6.500 23.138 ( -5.721 0.418 -2.343) 6.196 23.170 ( -7.705 -2.409 -5.237) 9.622 23.602 ( -3.818 5.113 -0.640) 6.413 23.669 ( -4.997 -1.177 1.875) 5.466 24.259 ( -15.944 4.463 0.856) 16.579 24.382 ( -9.721 -6.567 -1.916) 11.887 24.589 ( -1.906 2.512 -3.349) 4.600 24.655 ( -1.203 -3.907 -3.471) 5.363 24.805 ( -7.414 2.998 2.501) 8.379 24.862 ( -7.939 -2.145 4.430) 9.341 25.113 ( 0.305 0.983 1.094) 1.503 25.128 ( 1.090 -0.294 0.516) 1.241 25.486 ( -5.425 6.473 4.164) 9.416 25.580 ( -0.471 -0.375 -3.413) 3.465 25.695 ( -3.262 -1.438 2.274) 4.229 25.726 ( 0.651 -1.979 -3.102) 3.737 26.103 ( -3.082 2.870 -0.800) 4.287 26.132 ( -1.991 3.574 1.283) 4.288 26.159 ( -4.154 -0.191 -0.724) 4.221 26.224 ( -1.398 1.443 0.192) 2.019 26.328 ( -1.829 2.262 3.350) 4.436 26.386 ( -0.608 -0.144 1.953) 2.051 26.494 ( 0.062 0.985 -0.171) 1.002 26.657 ( 2.875 -11.853 0.727) 12.219 26.796 ( 2.402 1.793 2.354) 3.811 26.861 ( 4.070 -4.332 1.884) 6.236 26.954 ( -0.376 1.495 -2.882) 3.268 27.012 ( 1.423 -3.971 -3.556) 5.517 27.748 ( -12.763 0.385 4.348) 13.489 27.764 ( -11.918 -1.082 4.125) 12.658 27.845 ( -0.819 0.290 -10.325) 10.361 27.854 ( 0.739 -0.624 -14.425) 14.457 29.062 ( -8.875 5.585 14.726) 18.078 29.184 ( -5.090 -6.586 11.223) 13.973 29.485 ( 10.002 4.860 -5.564) 12.434 29.578 ( 11.183 -3.709 -3.415) 12.267 ======================= Grid point 133 (77/78) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.299 8.052 -14.447) 16.542 2.032 ( -2.092 -11.555 -11.510) 16.443 2.199 ( -1.359 17.660 16.803) 24.414 2.527 ( -8.991 2.481 2.136) 9.568 2.551 ( -3.791 2.436 4.686) 6.501 2.849 ( -9.664 -7.728 1.695) 12.490 2.941 ( 3.028 9.553 8.707) 13.276 3.096 ( -4.037 -1.874 12.798) 13.550 3.429 ( -15.321 7.519 2.361) 17.230 3.606 ( -10.451 -8.009 -0.627) 13.182 3.720 ( -17.382 10.173 -3.362) 20.419 3.958 ( -21.706 -9.629 4.782) 24.223 4.013 ( -6.930 7.382 -2.359) 10.396 4.152 ( -4.447 -7.635 -1.636) 8.986 4.265 ( -13.359 7.929 1.224) 15.583 4.366 ( -14.742 0.159 3.069) 15.059 4.470 ( -5.608 4.263 8.714) 11.205 4.641 ( -10.032 -8.212 0.476) 12.973 4.788 ( -6.542 17.246 -0.589) 18.455 5.043 ( -4.216 -3.600 3.646) 6.635 5.205 ( 1.241 5.595 -2.784) 6.372 5.333 ( -6.753 -3.117 0.614) 7.463 5.504 ( 7.453 7.509 2.491) 10.870 5.683 ( 1.681 -1.101 3.794) 4.293 5.741 ( 6.565 -0.104 2.821) 7.146 5.883 ( 1.584 -8.241 -3.280) 9.010 6.066 ( -6.148 0.964 -11.993) 13.511 6.138 ( -5.594 -3.901 -7.742) 10.317 6.376 ( -4.150 -1.493 9.724) 10.678 6.415 ( -4.889 -5.018 14.512) 16.114 6.839 ( -6.490 8.742 7.554) 13.252 6.981 ( 5.043 -4.031 6.411) 9.099 7.049 ( -13.828 0.129 -3.574) 14.283 7.116 ( -17.667 -2.771 -5.392) 18.678 7.337 ( -7.340 2.445 2.801) 8.228 7.371 ( -2.378 3.821 -2.631) 5.213 7.477 ( -1.094 -3.950 -1.935) 4.533 7.521 ( 4.809 -5.963 -13.769) 15.757 7.815 ( -0.005 -0.533 -6.482) 6.504 7.844 ( 8.292 -3.348 -3.656) 9.661 7.917 ( -3.491 7.409 -2.732) 8.634 8.081 ( -6.128 -5.621 5.096) 9.753 8.474 ( -7.320 1.225 0.042) 7.422 8.564 ( -11.482 -5.114 6.322) 14.070 8.848 ( 11.040 4.061 -15.864) 19.749 8.871 ( 11.871 0.808 -16.585) 20.411 9.279 ( -3.022 4.998 -2.117) 6.212 9.440 ( -3.499 -8.335 -3.080) 9.550 9.685 ( -4.213 3.041 8.692) 10.127 9.720 ( 0.273 -0.931 10.869) 10.912 9.904 ( 1.714 -2.152 -2.104) 3.463 9.948 ( 0.510 -5.058 -2.656) 5.735 10.314 ( -5.486 -0.327 -4.874) 7.346 10.319 ( -3.545 -0.164 -8.198) 8.933 10.433 ( -7.709 4.585 3.495) 9.626 10.551 ( 1.094 0.936 5.137) 5.335 10.653 ( -7.937 1.540 -8.497) 11.729 10.829 ( 2.329 -6.223 -4.886) 8.247 10.986 ( 2.628 0.263 1.312) 2.949 11.037 ( 2.719 -4.088 1.658) 5.182 11.278 ( -2.075 0.441 2.646) 3.391 11.367 ( -3.614 -6.467 2.565) 7.839 11.797 ( 9.426 6.428 0.193) 11.411 11.906 ( 4.185 -3.384 -0.790) 5.439 11.991 ( 6.127 5.842 7.835) 11.535 12.092 ( 0.752 6.170 1.754) 6.458 12.125 ( -0.175 -1.973 0.580) 2.064 12.281 ( 1.186 -6.267 -9.474) 11.421 12.370 ( -7.417 2.334 6.469) 10.114 12.454 ( -5.262 0.258 9.610) 10.959 12.604 ( -6.589 -0.856 -3.180) 7.366 12.709 ( -10.413 -6.340 2.782) 12.505 13.003 ( 0.240 3.253 5.645) 6.519 13.082 ( 1.377 -4.131 9.258) 10.231 13.438 ( -1.555 7.791 -2.212) 8.246 13.590 ( -1.433 -5.795 -4.578) 7.523 13.766 ( -4.285 2.834 -4.191) 6.630 13.869 ( -4.552 -6.006 -0.168) 7.538 14.019 ( 0.938 17.543 -1.030) 17.598 14.277 ( 2.559 -3.782 -9.804) 10.815 14.544 ( -0.427 19.904 -1.142) 19.941 14.769 ( 1.232 -1.929 -1.926) 2.991 15.005 ( 8.342 5.323 8.936) 13.334 15.321 ( 3.484 -12.414 0.188) 12.895 15.388 ( 4.680 4.247 1.035) 6.404 15.454 ( 3.874 -4.996 0.128) 6.323 15.592 ( 4.724 -7.497 -2.428) 9.188 15.669 ( 9.247 -6.792 -1.308) 11.548 15.957 ( -3.576 0.725 2.557) 4.455 16.014 ( -1.632 -7.595 1.113) 7.848 16.421 ( -6.551 1.981 -3.399) 7.642 16.458 ( -5.581 -1.576 -3.496) 6.771 16.840 ( 12.389 0.113 15.014) 19.466 16.852 ( 13.402 -0.877 16.555) 21.318 18.060 ( 19.774 17.579 -12.266) 29.163 18.357 ( 22.622 -11.857 -12.493) 28.433 20.034 ( 1.998 2.774 1.578) 3.766 20.080 ( 4.129 -1.326 1.068) 4.466 20.201 ( 1.013 0.439 1.509) 1.870 20.243 ( -2.645 -2.705 3.673) 5.274 20.507 ( 3.335 2.708 -3.111) 5.304 20.562 ( 3.809 -2.397 -0.605) 4.541 20.631 ( 0.533 2.991 -6.021) 6.744 20.690 ( -1.876 -2.241 -4.327) 5.221 20.873 ( 2.156 6.028 2.746) 6.966 20.999 ( 1.757 -5.987 1.299) 6.373 21.227 ( -1.476 4.500 -0.297) 4.745 21.288 ( -2.152 -1.326 0.297) 2.545 21.352 ( 3.878 4.384 0.665) 5.890 21.437 ( 6.142 -3.237 -1.409) 7.084 21.626 ( -0.460 0.925 0.232) 1.059 21.636 ( 3.483 -0.635 -1.038) 3.690 21.808 ( 3.383 3.990 -2.015) 5.606 21.880 ( 1.994 -1.658 0.085) 2.594 21.984 ( 4.004 2.599 -2.127) 5.226 22.046 ( 5.096 -2.690 -6.010) 8.326 22.197 ( 6.377 10.807 -4.080) 13.195 22.326 ( 3.986 3.927 -1.175) 5.718 22.456 ( 12.640 -7.209 0.050) 14.551 22.493 ( 10.194 -4.786 4.288) 12.050 23.012 ( -6.492 1.067 0.740) 6.621 23.052 ( -3.915 -2.984 1.582) 5.171 23.480 ( -11.140 4.019 0.730) 11.865 23.560 ( -9.576 -2.970 1.474) 10.134 23.978 ( -17.887 8.884 2.768) 20.163 24.177 ( -11.719 -9.372 -1.803) 15.114 24.547 ( -0.576 2.533 -1.507) 3.003 24.609 ( -1.323 -3.529 -2.886) 4.747 24.694 ( -8.434 2.612 4.548) 9.932 24.760 ( -8.439 -3.510 6.036) 10.953 25.112 ( -1.490 1.404 0.464) 2.100 25.128 ( -1.963 0.126 1.443) 2.439 25.420 ( -6.799 6.750 3.995) 10.380 25.535 ( -0.013 0.672 -4.632) 4.681 25.629 ( -7.301 -4.502 2.594) 8.962 25.700 ( 0.933 -5.452 -4.411) 7.074 26.065 ( -0.893 6.660 0.124) 6.721 26.125 ( -0.103 3.159 1.777) 3.626 26.156 ( 1.596 0.324 2.272) 2.796 26.214 ( -0.150 3.683 0.160) 3.690 26.330 ( -1.824 -2.035 3.532) 4.466 26.397 ( -0.113 -2.841 1.141) 3.064 26.497 ( 1.127 4.283 0.182) 4.433 26.676 ( -0.767 -11.710 -0.501) 11.745 26.878 ( 0.803 3.404 3.376) 4.861 26.888 ( 2.112 2.439 -5.479) 6.358 26.949 ( 1.984 -3.998 1.122) 4.602 26.970 ( -1.540 -4.971 -3.223) 6.122 27.518 ( -11.288 0.334 -8.094) 13.894 27.533 ( -12.377 -1.075 -4.332) 13.157 27.753 ( -3.036 1.477 -1.723) 3.791 27.787 ( -0.296 -1.583 -3.676) 4.013 29.071 ( -7.562 7.081 16.318) 19.329 29.221 ( -3.496 -7.636 11.205) 14.003 29.606 ( 9.701 5.654 -5.130) 12.345 29.735 ( 10.828 -6.562 -4.226) 13.347 ======================= Grid point 134 (78/78) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 3.957 7.085 -7.428) 11.002 1.933 ( 0.267 -7.676 -8.303) 11.311 2.220 ( -11.937 13.925 1.448) 18.398 2.334 ( -5.104 17.814 15.463) 24.135 2.574 ( -12.330 -12.321 -7.658) 19.039 2.662 ( -3.050 -9.972 8.824) 13.661 2.994 ( -7.260 8.207 14.425) 18.115 3.113 ( -4.720 1.015 -1.307) 5.002 3.375 ( -10.396 18.835 1.350) 21.556 3.468 ( -1.858 1.911 6.046) 6.607 3.565 ( 2.890 -5.087 6.452) 8.709 3.687 ( -11.650 -7.234 6.217) 15.056 3.843 ( -12.607 10.778 -1.400) 16.645 3.956 ( -10.452 3.937 0.524) 11.181 4.101 ( -17.042 2.205 5.319) 17.989 4.168 ( -2.244 -6.142 0.181) 6.542 4.551 ( 1.143 -3.181 12.092) 12.555 4.581 ( -2.904 -1.855 12.745) 13.203 4.765 ( 0.788 14.040 5.594) 15.134 4.979 ( -7.494 -1.156 6.882) 10.240 5.208 ( 3.226 -0.662 -9.269) 9.836 5.241 ( -3.147 -2.509 -0.611) 4.071 5.589 ( -2.174 7.766 -6.550) 10.389 5.722 ( -1.200 -4.087 -4.604) 6.272 5.778 ( -5.299 0.808 -6.558) 8.470 5.819 ( 0.241 1.890 -6.864) 7.123 5.943 ( 3.561 -2.442 1.042) 4.442 6.033 ( 6.298 -5.805 -1.613) 8.716 6.376 ( -11.278 3.317 10.985) 16.089 6.528 ( -4.020 -8.996 21.485) 23.637 6.656 ( -8.607 2.787 0.950) 9.097 6.684 ( -17.073 0.921 -7.865) 18.820 6.887 ( -10.287 1.628 6.695) 12.382 6.993 ( -13.237 -8.292 5.563) 16.581 7.297 ( 2.916 6.667 -11.288) 13.430 7.342 ( 7.302 11.521 0.536) 13.651 7.470 ( 5.372 -7.218 -14.803) 17.323 7.603 ( 8.230 -7.850 5.290) 12.544 7.684 ( 2.907 5.925 -14.882) 16.279 7.882 ( 0.316 -9.659 -3.426) 10.253 8.020 ( 3.571 3.958 2.991) 6.113 8.117 ( 7.334 -3.457 8.124) 11.478 8.412 ( -2.058 1.556 2.114) 3.336 8.504 ( -5.484 -5.638 10.560) 13.167 8.878 ( 6.511 2.781 -12.906) 14.720 8.899 ( 5.851 -3.175 -13.128) 14.719 9.163 ( -0.672 1.935 -12.221) 12.391 9.257 ( -6.843 -6.024 -12.965) 15.849 9.671 ( -4.646 8.559 5.346) 11.110 9.808 ( -2.007 -2.597 6.197) 7.013 9.879 ( -2.106 7.507 -4.713) 9.111 9.967 ( 3.019 -1.548 -5.381) 6.361 10.108 ( -7.514 -2.882 -7.738) 11.164 10.173 ( -4.095 -8.193 -2.421) 9.474 10.364 ( -1.780 -2.313 -2.781) 4.032 10.406 ( -4.057 -4.523 -6.249) 8.715 10.692 ( 3.001 6.031 5.457) 8.670 10.821 ( 0.490 -3.474 -1.867) 3.975 11.095 ( 3.358 0.672 3.888) 5.181 11.124 ( 2.317 -2.378 4.672) 5.732 11.249 ( -1.784 2.511 3.446) 4.622 11.389 ( 3.455 -10.122 7.424) 13.019 11.832 ( -2.193 2.727 -4.136) 5.418 11.881 ( -0.968 -2.074 -5.552) 6.005 11.937 ( -6.586 12.027 -5.979) 14.959 12.156 ( -0.920 -4.690 -10.467) 11.506 12.218 ( 3.404 0.809 -2.193) 4.129 12.250 ( 3.855 -2.450 8.113) 9.311 12.317 ( -6.211 -0.260 5.203) 8.106 12.401 ( -7.584 -6.093 8.253) 12.758 12.604 ( 2.539 4.313 12.071) 13.067 12.697 ( 1.500 -5.514 8.213) 10.005 13.105 ( 3.623 8.416 6.478) 11.221 13.243 ( 5.317 -4.835 7.540) 10.417 13.359 ( -2.897 7.017 -4.782) 8.972 13.497 ( -2.459 -6.015 -6.973) 9.531 13.715 ( 0.008 5.497 2.098) 5.884 13.832 ( -2.457 -3.424 4.499) 6.165 13.996 ( -1.138 12.489 -4.402) 13.291 14.205 ( 0.288 -4.807 -10.976) 11.986 14.542 ( 0.757 24.451 1.577) 24.514 14.795 ( 6.042 7.014 -8.128) 12.319 15.147 ( 2.994 -0.781 4.090) 5.128 15.376 ( 3.369 -12.941 0.640) 13.387 15.424 ( -1.745 -6.326 1.191) 6.669 15.485 ( -1.441 -10.594 0.325) 10.697 15.672 ( 5.067 0.328 0.202) 5.082 15.755 ( 1.405 -5.420 -0.688) 5.641 15.895 ( -3.820 2.932 -1.151) 4.951 16.015 ( 1.127 -10.661 -3.796) 11.373 16.324 ( -2.033 1.451 1.535) 2.931 16.353 ( -3.040 -0.541 0.248) 3.098 17.199 ( 10.319 6.644 20.036) 23.496 17.311 ( 12.834 -4.414 26.098) 29.416 18.156 ( 9.630 18.656 -19.646) 28.754 18.478 ( 10.167 -13.260 -20.553) 26.488 20.084 ( 1.236 3.807 3.059) 5.038 20.158 ( 2.692 -3.146 2.342) 4.757 20.214 ( -1.602 0.041 3.150) 3.535 20.226 ( -3.871 -1.145 5.878) 7.131 20.524 ( 2.443 4.215 -5.343) 7.231 20.594 ( 0.941 -1.627 -4.479) 4.858 20.654 ( 3.264 0.072 -1.902) 3.779 20.661 ( 3.822 -1.070 -0.957) 4.083 20.906 ( -1.291 4.571 2.212) 5.240 20.989 ( -3.743 -2.604 -0.808) 4.631 21.145 ( -2.346 2.373 -5.449) 6.390 21.194 ( -3.589 -1.968 -5.391) 6.768 21.445 ( 4.688 4.777 -0.038) 6.693 21.511 ( 4.526 -1.636 -3.131) 5.741 21.621 ( -0.286 -0.375 0.518) 0.701 21.650 ( 0.509 -3.315 -2.252) 4.040 21.859 ( 2.568 4.285 1.164) 5.130 21.910 ( 0.937 -0.203 1.526) 1.802 21.981 ( 0.687 6.207 -3.726) 7.273 22.068 ( 6.198 -2.195 -9.570) 11.611 22.295 ( 8.542 7.955 -3.406) 12.159 22.385 ( 5.023 0.901 -2.854) 5.847 22.648 ( 9.586 -2.332 -1.358) 9.959 22.723 ( 10.969 -7.411 -2.249) 13.428 22.998 ( 0.207 2.764 6.088) 6.689 23.058 ( 2.630 -2.901 3.935) 5.551 23.262 ( -14.558 3.921 2.060) 15.217 23.366 ( -15.241 -6.164 2.842) 16.684 23.776 ( -10.362 11.158 8.489) 17.434 23.986 ( -9.338 -8.942 1.865) 13.063 24.503 ( -3.609 1.315 -0.867) 3.937 24.536 ( -3.609 -1.701 -1.099) 4.138 24.670 ( -0.550 3.220 7.156) 7.867 24.760 ( 0.472 -5.525 7.896) 9.648 25.071 ( -3.017 2.394 -0.404) 3.873 25.103 ( -2.451 -0.541 1.242) 2.800 25.346 ( -6.096 6.742 4.133) 9.985 25.496 ( 1.136 3.342 -5.780) 6.772 25.524 ( -7.588 -7.142 3.478) 10.985 25.673 ( 1.389 -9.110 -5.697) 10.834 26.066 ( -0.272 9.140 1.796) 9.318 26.152 ( 1.216 5.351 -0.817) 5.548 26.213 ( 0.779 -1.930 4.216) 4.702 26.220 ( -0.204 3.079 2.217) 3.800 26.330 ( -0.787 -2.462 1.745) 3.119 26.423 ( 3.643 -3.712 -1.367) 5.378 26.527 ( 1.319 2.543 -0.302) 2.880 26.629 ( -2.555 -7.186 -1.611) 7.795 26.829 ( 0.699 2.450 -5.581) 6.135 26.890 ( -1.127 -2.649 -2.006) 3.509 26.950 ( -2.689 0.813 1.686) 3.276 26.990 ( 1.025 -2.335 1.711) 3.071 27.268 ( -6.997 1.695 -7.494) 10.392 27.311 ( -8.985 -2.557 -2.138) 9.583 27.708 ( -0.955 1.811 -0.469) 2.100 27.761 ( 1.777 -2.909 -4.543) 5.680 29.115 ( -6.497 8.027 17.115) 19.989 29.274 ( -2.646 -7.165 9.992) 12.577 29.699 ( 6.293 4.573 -4.283) 8.881 29.836 ( 7.422 -8.097 -7.782) 13.461 =================== 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 3/39000 10.0 333.386 219.215 168.765 0.000 -18.179 0.000 3/39000 20.0 42.189 33.311 32.248 0.000 -5.657 0.000 3/39000 30.0 18.588 15.162 16.112 0.000 -2.338 0.000 3/39000 40.0 12.074 9.561 10.620 0.000 -1.299 0.000 3/39000 50.0 9.194 6.985 8.050 0.000 -0.868 0.000 3/39000 60.0 7.572 5.544 6.629 0.000 -0.652 0.000 3/39000 70.0 6.522 4.635 5.743 0.000 -0.526 0.000 3/39000 80.0 5.781 4.015 5.136 0.000 -0.446 0.000 3/39000 90.0 5.225 3.566 4.687 0.000 -0.389 0.000 3/39000 100.0 4.790 3.227 4.336 0.000 -0.347 0.000 3/39000 110.0 4.437 2.962 4.050 0.000 -0.313 0.000 3/39000 120.0 4.144 2.750 3.810 0.000 -0.286 0.000 3/39000 130.0 3.896 2.576 3.604 0.000 -0.263 0.000 3/39000 140.0 3.683 2.429 3.425 0.000 -0.243 0.000 3/39000 150.0 3.498 2.304 3.266 0.000 -0.225 0.000 3/39000 160.0 3.334 2.195 3.125 0.000 -0.210 0.000 3/39000 170.0 3.188 2.099 2.998 0.000 -0.197 0.000 3/39000 180.0 3.057 2.014 2.882 0.000 -0.185 0.000 3/39000 190.0 2.938 1.936 2.777 0.000 -0.175 0.000 3/39000 200.0 2.830 1.866 2.680 0.000 -0.166 0.000 3/39000 210.0 2.731 1.801 2.591 0.000 -0.158 0.000 3/39000 220.0 2.639 1.741 2.508 0.000 -0.150 0.000 3/39000 230.0 2.554 1.686 2.431 0.000 -0.144 0.000 3/39000 240.0 2.475 1.634 2.359 0.000 -0.138 0.000 3/39000 250.0 2.402 1.585 2.291 0.000 -0.133 0.000 3/39000 260.0 2.333 1.540 2.228 0.000 -0.129 0.000 3/39000 270.0 2.268 1.497 2.168 0.000 -0.125 0.000 3/39000 280.0 2.206 1.456 2.111 0.000 -0.121 0.000 3/39000 290.0 2.148 1.418 2.058 0.000 -0.118 0.000 3/39000 300.0 2.094 1.381 2.007 0.000 -0.115 0.000 3/39000 310.0 2.042 1.347 1.959 0.000 -0.112 0.000 3/39000 320.0 1.992 1.314 1.913 0.000 -0.110 0.000 3/39000 330.0 1.945 1.282 1.869 0.000 -0.107 0.000 3/39000 340.0 1.900 1.252 1.827 0.000 -0.105 0.000 3/39000 350.0 1.857 1.224 1.787 0.000 -0.103 0.000 3/39000 360.0 1.816 1.196 1.748 0.000 -0.101 0.000 3/39000 370.0 1.777 1.170 1.712 0.000 -0.100 0.000 3/39000 380.0 1.739 1.145 1.676 0.000 -0.098 0.000 3/39000 390.0 1.703 1.121 1.643 0.000 -0.096 0.000 3/39000 400.0 1.668 1.098 1.610 0.000 -0.095 0.000 3/39000 410.0 1.635 1.075 1.579 0.000 -0.093 0.000 3/39000 420.0 1.603 1.054 1.548 0.000 -0.092 0.000 3/39000 430.0 1.572 1.033 1.519 0.000 -0.091 0.000 3/39000 440.0 1.542 1.013 1.491 0.000 -0.089 0.000 3/39000 450.0 1.513 0.994 1.464 0.000 -0.088 0.000 3/39000 460.0 1.486 0.976 1.438 0.000 -0.087 0.000 3/39000 470.0 1.459 0.958 1.413 0.000 -0.086 0.000 3/39000 480.0 1.433 0.941 1.388 0.000 -0.085 0.000 3/39000 490.0 1.408 0.924 1.365 0.000 -0.083 0.000 3/39000 500.0 1.384 0.908 1.342 0.000 -0.082 0.000 3/39000 510.0 1.360 0.892 1.319 0.000 -0.081 0.000 3/39000 520.0 1.338 0.877 1.298 0.000 -0.080 0.000 3/39000 530.0 1.316 0.863 1.277 0.000 -0.079 0.000 3/39000 540.0 1.295 0.849 1.257 0.000 -0.078 0.000 3/39000 550.0 1.274 0.835 1.237 0.000 -0.077 0.000 3/39000 560.0 1.254 0.822 1.218 0.000 -0.076 0.000 3/39000 570.0 1.235 0.809 1.200 0.000 -0.076 0.000 3/39000 580.0 1.216 0.796 1.182 0.000 -0.075 0.000 3/39000 590.0 1.198 0.784 1.164 0.000 -0.074 0.000 3/39000 600.0 1.180 0.772 1.148 0.000 -0.073 0.000 3/39000 610.0 1.162 0.761 1.131 0.000 -0.072 0.000 3/39000 620.0 1.146 0.750 1.115 0.000 -0.071 0.000 3/39000 630.0 1.129 0.739 1.099 0.000 -0.070 0.000 3/39000 640.0 1.113 0.729 1.084 0.000 -0.070 0.000 3/39000 650.0 1.098 0.718 1.069 0.000 -0.069 0.000 3/39000 660.0 1.083 0.708 1.055 0.000 -0.068 0.000 3/39000 670.0 1.068 0.699 1.041 0.000 -0.067 0.000 3/39000 680.0 1.054 0.689 1.027 0.000 -0.067 0.000 3/39000 690.0 1.040 0.680 1.014 0.000 -0.066 0.000 3/39000 700.0 1.027 0.671 1.001 0.000 -0.065 0.000 3/39000 710.0 1.013 0.662 0.988 0.000 -0.065 0.000 3/39000 720.0 1.000 0.654 0.976 0.000 -0.064 0.000 3/39000 730.0 0.988 0.646 0.964 0.000 -0.063 0.000 3/39000 740.0 0.976 0.637 0.952 0.000 -0.063 0.000 3/39000 750.0 0.964 0.630 0.940 0.000 -0.062 0.000 3/39000 760.0 0.952 0.622 0.929 0.000 -0.061 0.000 3/39000 770.0 0.940 0.614 0.918 0.000 -0.061 0.000 3/39000 780.0 0.929 0.607 0.907 0.000 -0.060 0.000 3/39000 790.0 0.918 0.600 0.897 0.000 -0.059 0.000 3/39000 800.0 0.908 0.593 0.886 0.000 -0.059 0.000 3/39000 810.0 0.897 0.586 0.876 0.000 -0.058 0.000 3/39000 820.0 0.887 0.579 0.866 0.000 -0.058 0.000 3/39000 830.0 0.877 0.573 0.857 0.000 -0.057 0.000 3/39000 840.0 0.867 0.566 0.847 0.000 -0.057 0.000 3/39000 850.0 0.858 0.560 0.838 0.000 -0.056 0.000 3/39000 860.0 0.848 0.554 0.829 0.000 -0.056 0.000 3/39000 870.0 0.839 0.548 0.820 0.000 -0.055 0.000 3/39000 880.0 0.830 0.542 0.811 0.000 -0.055 0.000 3/39000 890.0 0.821 0.536 0.803 0.000 -0.054 0.000 3/39000 900.0 0.813 0.530 0.795 0.000 -0.054 0.000 3/39000 910.0 0.804 0.525 0.787 0.000 -0.053 0.000 3/39000 920.0 0.796 0.519 0.779 0.000 -0.053 0.000 3/39000 930.0 0.788 0.514 0.771 0.000 -0.052 0.000 3/39000 940.0 0.780 0.509 0.763 0.000 -0.052 0.000 3/39000 950.0 0.772 0.504 0.755 0.000 -0.051 0.000 3/39000 960.0 0.765 0.499 0.748 0.000 -0.051 0.000 3/39000 970.0 0.757 0.494 0.741 0.000 -0.050 0.000 3/39000 980.0 0.750 0.489 0.734 0.000 -0.050 0.000 3/39000 990.0 0.743 0.484 0.727 0.000 -0.049 0.000 3/39000 1000.0 0.736 0.480 0.720 0.000 -0.049 0.000 3/39000 Thermal conductivity related properties were written into "kappa-m1055.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:34:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|