----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 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 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 6.202366460000000 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): *1 B 0.20639744866157 0.84602977652243 0.64672311771418 10.811 2 B 0.79360255133843 0.34602977652243 0.85327688228582 10.811 3 B 0.79360255133843 0.15397022347757 0.35327688228582 10.811 4 B 0.20639744866157 0.65397022347757 0.14672311771418 10.811 *5 B 0.31498963613337 0.24768933195902 0.41831921025926 10.811 6 B 0.68501036386663 0.74768933195902 0.08168078974074 10.811 7 B 0.68501036386663 0.75231066804098 0.58168078974074 10.811 8 B 0.31498963613337 0.25231066804098 0.91831921025926 10.811 *9 O 0.36796907109094 0.35424195897857 0.83452390594356 15.999 10 O 0.63203092890906 0.85424195897857 0.66547609405644 15.999 11 O 0.63203092890906 0.64575804102143 0.16547609405644 15.999 12 O 0.36796907109094 0.14575804102143 0.33452390594356 15.999 *13 O 0.85196350120886 0.24018936328457 0.77233708762536 15.999 14 O 0.14803649879114 0.74018936328457 0.72766291237464 15.999 15 O 0.14803649879114 0.75981063671543 0.22766291237464 15.999 16 O 0.85196350120886 0.25981063671543 0.27233708762536 15.999 *17 O 0.97309494871298 0.12588893767475 0.09614409305849 15.999 18 O 0.02690505128702 0.62588893767475 0.40385590694151 15.999 19 O 0.02690505128702 0.87411106232525 0.90385590694151 15.999 20 O 0.97309494871298 0.37411106232525 0.59614409305849 15.999 *21 O 0.31619551958118 0.74756945583603 0.13324240994429 15.999 22 O 0.68380448041882 0.24756945583603 0.36675759005571 15.999 23 O 0.68380448041882 0.25243054416397 0.86675759005571 15.999 24 O 0.31619551958118 0.75243054416397 0.63324240994429 15.999 *25 O 0.16565210642964 0.26430408292838 0.36541464264824 15.999 26 O 0.83434789357036 0.76430408292838 0.13458535735176 15.999 27 O 0.83434789357036 0.73569591707162 0.63458535735176 15.999 28 O 0.16565210642964 0.23569591707162 0.86541464264824 15.999 *29 O 0.14783771488887 0.45604040481325 0.08509698335035 15.999 30 O 0.85216228511113 0.95604040481325 0.41490301664965 15.999 31 O 0.85216228511113 0.54395959518675 0.91490301664965 15.999 32 O 0.14783771488887 0.04395959518675 0.58509698335035 15.999 *33 O 0.39754145628478 0.16508110230041 0.05612336699010 15.999 34 O 0.60245854371522 0.66508110230041 0.44387663300989 15.999 35 O 0.60245854371522 0.83491889769959 0.94387663300989 15.999 36 O 0.39754145628478 0.33491889769959 0.55612336699011 15.999 *37 Na 0.61176169133897 0.23155367715243 0.55021415766339 22.990 38 Na 0.38823830866103 0.73155367715243 0.94978584233661 22.990 39 Na 0.38823830866103 0.76844632284757 0.44978584233661 22.990 40 Na 0.61176169133897 0.26844632284757 0.05021415766340 22.990 *41 Na 0.52438692496906 0.55773016043839 0.76078287754311 22.990 42 Na 0.47561307503095 0.05773016043840 0.73921712245689 22.990 43 Na 0.47561307503095 0.44226983956160 0.23921712245689 22.990 44 Na 0.52438692496906 0.94226983956161 0.26078287754311 22.990 *45 Y 0.98426626667175 0.03902055262475 0.68273544258566 88.906 46 Y 0.01573373332825 0.53902055262476 0.81726455741434 88.906 47 Y 0.01573373332825 0.96097944737524 0.31726455741434 88.906 48 Y 0.98426626667175 0.46097944737524 0.18273544258566 88.906 *49 Y 0.18250321616648 0.41804647566295 0.58612580889332 88.906 50 Y 0.81749678383352 0.91804647566295 0.91387419110668 88.906 51 Y 0.81749678383352 0.58195352433705 0.41387419110668 88.906 52 Y 0.18250321616648 0.08195352433705 0.08612580889332 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 6.202366460000000 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): *1 B 0.20639744866157 0.84602977652243 0.64672311771418 10.811 > 1 2 B 0.79360255133843 0.34602977652243 0.85327688228582 10.811 > 2 3 B 0.79360255133843 0.15397022347757 0.35327688228582 10.811 > 3 4 B 0.20639744866157 0.65397022347757 0.14672311771418 10.811 > 4 *5 B 0.31498963613337 0.24768933195902 0.41831921025926 10.811 > 5 6 B 0.68501036386663 0.74768933195902 0.08168078974074 10.811 > 6 7 B 0.68501036386663 0.75231066804098 0.58168078974074 10.811 > 7 8 B 0.31498963613337 0.25231066804098 0.91831921025926 10.811 > 8 *9 O 0.36796907109094 0.35424195897857 0.83452390594356 15.999 > 9 10 O 0.63203092890906 0.85424195897857 0.66547609405644 15.999 > 10 11 O 0.63203092890906 0.64575804102143 0.16547609405644 15.999 > 11 12 O 0.36796907109094 0.14575804102143 0.33452390594356 15.999 > 12 *13 O 0.85196350120886 0.24018936328457 0.77233708762536 15.999 > 13 14 O 0.14803649879114 0.74018936328457 0.72766291237464 15.999 > 14 15 O 0.14803649879114 0.75981063671543 0.22766291237464 15.999 > 15 16 O 0.85196350120886 0.25981063671543 0.27233708762536 15.999 > 16 *17 O 0.97309494871298 0.12588893767475 0.09614409305849 15.999 > 17 18 O 0.02690505128702 0.62588893767475 0.40385590694151 15.999 > 18 19 O 0.02690505128702 0.87411106232525 0.90385590694151 15.999 > 19 20 O 0.97309494871298 0.37411106232525 0.59614409305849 15.999 > 20 *21 O 0.31619551958118 0.74756945583603 0.13324240994429 15.999 > 21 22 O 0.68380448041882 0.24756945583603 0.36675759005571 15.999 > 22 23 O 0.68380448041882 0.25243054416397 0.86675759005571 15.999 > 23 24 O 0.31619551958118 0.75243054416397 0.63324240994429 15.999 > 24 *25 O 0.16565210642964 0.26430408292838 0.36541464264824 15.999 > 25 26 O 0.83434789357036 0.76430408292838 0.13458535735176 15.999 > 26 27 O 0.83434789357036 0.73569591707162 0.63458535735176 15.999 > 27 28 O 0.16565210642964 0.23569591707162 0.86541464264824 15.999 > 28 *29 O 0.14783771488887 0.45604040481325 0.08509698335035 15.999 > 29 30 O 0.85216228511113 0.95604040481325 0.41490301664965 15.999 > 30 31 O 0.85216228511113 0.54395959518675 0.91490301664965 15.999 > 31 32 O 0.14783771488887 0.04395959518675 0.58509698335035 15.999 > 32 *33 O 0.39754145628478 0.16508110230041 0.05612336699010 15.999 > 33 34 O 0.60245854371522 0.66508110230041 0.44387663300989 15.999 > 34 35 O 0.60245854371522 0.83491889769959 0.94387663300989 15.999 > 35 36 O 0.39754145628478 0.33491889769959 0.55612336699011 15.999 > 36 *37 Na 0.61176169133897 0.23155367715243 0.55021415766339 22.990 > 37 38 Na 0.38823830866103 0.73155367715243 0.94978584233661 22.990 > 38 39 Na 0.38823830866103 0.76844632284757 0.44978584233661 22.990 > 39 40 Na 0.61176169133897 0.26844632284757 0.05021415766340 22.990 > 40 *41 Na 0.52438692496906 0.55773016043839 0.76078287754311 22.990 > 41 42 Na 0.47561307503095 0.05773016043840 0.73921712245689 22.990 > 42 43 Na 0.47561307503095 0.44226983956160 0.23921712245689 22.990 > 43 44 Na 0.52438692496906 0.94226983956161 0.26078287754311 22.990 > 44 *45 Y 0.98426626667175 0.03902055262475 0.68273544258566 88.906 > 45 46 Y 0.01573373332825 0.53902055262476 0.81726455741434 88.906 > 46 47 Y 0.01573373332825 0.96097944737524 0.31726455741434 88.906 > 47 48 Y 0.98426626667175 0.46097944737524 0.18273544258566 88.906 > 48 *49 Y 0.18250321616648 0.41804647566295 0.58612580889332 88.906 > 49 50 Y 0.81749678383352 0.91804647566295 0.91387419110668 88.906 > 50 51 Y 0.81749678383352 0.58195352433705 0.41387419110668 88.906 > 51 52 Y 0.18250321616648 0.08195352433705 0.08612580889332 88.906 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 12.404732920000001 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): *1 B 0.20639744866157 0.42301488826121 0.64672311771418 10.811 > 1 2 B 0.20639744866157 0.92301488826121 0.64672311771418 10.811 > 1 3 B 0.79360255133843 0.17301488826121 0.85327688228582 10.811 > 2 4 B 0.79360255133843 0.67301488826121 0.85327688228582 10.811 > 2 5 B 0.79360255133843 0.07698511173879 0.35327688228582 10.811 > 3 6 B 0.79360255133843 0.57698511173879 0.35327688228582 10.811 > 3 7 B 0.20639744866157 0.32698511173879 0.14672311771418 10.811 > 4 8 B 0.20639744866157 0.82698511173879 0.14672311771418 10.811 > 4 *9 B 0.31498963613337 0.12384466597951 0.41831921025926 10.811 > 5 10 B 0.31498963613337 0.62384466597951 0.41831921025926 10.811 > 5 11 B 0.68501036386663 0.37384466597951 0.08168078974074 10.811 > 6 12 B 0.68501036386663 0.87384466597951 0.08168078974074 10.811 > 6 13 B 0.68501036386663 0.37615533402049 0.58168078974074 10.811 > 7 14 B 0.68501036386663 0.87615533402049 0.58168078974074 10.811 > 7 15 B 0.31498963613337 0.12615533402049 0.91831921025926 10.811 > 8 16 B 0.31498963613337 0.62615533402049 0.91831921025926 10.811 > 8 *17 O 0.36796907109094 0.17712097948929 0.83452390594356 15.999 > 9 18 O 0.36796907109094 0.67712097948929 0.83452390594356 15.999 > 9 19 O 0.63203092890906 0.42712097948929 0.66547609405644 15.999 > 10 20 O 0.63203092890906 0.92712097948929 0.66547609405644 15.999 > 10 21 O 0.63203092890906 0.32287902051071 0.16547609405644 15.999 > 11 22 O 0.63203092890906 0.82287902051071 0.16547609405644 15.999 > 11 23 O 0.36796907109094 0.07287902051071 0.33452390594356 15.999 > 12 24 O 0.36796907109094 0.57287902051071 0.33452390594356 15.999 > 12 *25 O 0.85196350120886 0.12009468164228 0.77233708762536 15.999 > 13 26 O 0.85196350120886 0.62009468164228 0.77233708762536 15.999 > 13 27 O 0.14803649879114 0.37009468164228 0.72766291237464 15.999 > 14 28 O 0.14803649879114 0.87009468164228 0.72766291237464 15.999 > 14 29 O 0.14803649879114 0.37990531835772 0.22766291237464 15.999 > 15 30 O 0.14803649879114 0.87990531835772 0.22766291237464 15.999 > 15 31 O 0.85196350120886 0.12990531835771 0.27233708762536 15.999 > 16 32 O 0.85196350120886 0.62990531835772 0.27233708762536 15.999 > 16 *33 O 0.97309494871298 0.06294446883738 0.09614409305849 15.999 > 17 34 O 0.97309494871298 0.56294446883738 0.09614409305849 15.999 > 17 35 O 0.02690505128702 0.31294446883737 0.40385590694151 15.999 > 18 36 O 0.02690505128702 0.81294446883738 0.40385590694151 15.999 > 18 37 O 0.02690505128702 0.43705553116263 0.90385590694151 15.999 > 19 38 O 0.02690505128702 0.93705553116262 0.90385590694151 15.999 > 19 39 O 0.97309494871298 0.18705553116262 0.59614409305849 15.999 > 20 40 O 0.97309494871298 0.68705553116262 0.59614409305849 15.999 > 20 *41 O 0.31619551958118 0.37378472791801 0.13324240994429 15.999 > 21 42 O 0.31619551958118 0.87378472791801 0.13324240994429 15.999 > 21 43 O 0.68380448041882 0.12378472791801 0.36675759005571 15.999 > 22 44 O 0.68380448041882 0.62378472791801 0.36675759005571 15.999 > 22 45 O 0.68380448041882 0.12621527208199 0.86675759005571 15.999 > 23 46 O 0.68380448041882 0.62621527208199 0.86675759005571 15.999 > 23 47 O 0.31619551958118 0.37621527208199 0.63324240994429 15.999 > 24 48 O 0.31619551958118 0.87621527208199 0.63324240994429 15.999 > 24 *49 O 0.16565210642964 0.13215204146419 0.36541464264824 15.999 > 25 50 O 0.16565210642964 0.63215204146419 0.36541464264824 15.999 > 25 51 O 0.83434789357036 0.38215204146419 0.13458535735176 15.999 > 26 52 O 0.83434789357036 0.88215204146419 0.13458535735176 15.999 > 26 53 O 0.83434789357036 0.36784795853581 0.63458535735176 15.999 > 27 54 O 0.83434789357036 0.86784795853581 0.63458535735176 15.999 > 27 55 O 0.16565210642964 0.11784795853581 0.86541464264824 15.999 > 28 56 O 0.16565210642964 0.61784795853581 0.86541464264824 15.999 > 28 *57 O 0.14783771488887 0.22802020240663 0.08509698335035 15.999 > 29 58 O 0.14783771488887 0.72802020240663 0.08509698335035 15.999 > 29 59 O 0.85216228511113 0.47802020240663 0.41490301664965 15.999 > 30 60 O 0.85216228511113 0.97802020240663 0.41490301664965 15.999 > 30 61 O 0.85216228511113 0.27197979759337 0.91490301664965 15.999 > 31 62 O 0.85216228511113 0.77197979759337 0.91490301664965 15.999 > 31 63 O 0.14783771488887 0.02197979759337 0.58509698335035 15.999 > 32 64 O 0.14783771488887 0.52197979759337 0.58509698335035 15.999 > 32 *65 O 0.39754145628478 0.08254055115021 0.05612336699010 15.999 > 33 66 O 0.39754145628478 0.58254055115021 0.05612336699010 15.999 > 33 67 O 0.60245854371522 0.33254055115021 0.44387663300989 15.999 > 34 68 O 0.60245854371522 0.83254055115021 0.44387663300989 15.999 > 34 69 O 0.60245854371522 0.41745944884979 0.94387663300989 15.999 > 35 70 O 0.60245854371522 0.91745944884979 0.94387663300989 15.999 > 35 71 O 0.39754145628478 0.16745944884979 0.55612336699011 15.999 > 36 72 O 0.39754145628478 0.66745944884979 0.55612336699011 15.999 > 36 *73 Na 0.61176169133897 0.11577683857622 0.55021415766339 22.990 > 37 74 Na 0.61176169133897 0.61577683857622 0.55021415766339 22.990 > 37 75 Na 0.38823830866103 0.36577683857622 0.94978584233661 22.990 > 38 76 Na 0.38823830866103 0.86577683857622 0.94978584233661 22.990 > 38 77 Na 0.38823830866103 0.38422316142378 0.44978584233661 22.990 > 39 78 Na 0.38823830866103 0.88422316142378 0.44978584233661 22.990 > 39 79 Na 0.61176169133897 0.13422316142378 0.05021415766340 22.990 > 40 80 Na 0.61176169133897 0.63422316142378 0.05021415766340 22.990 > 40 *81 Na 0.52438692496906 0.27886508021920 0.76078287754311 22.990 > 41 82 Na 0.52438692496906 0.77886508021920 0.76078287754311 22.990 > 41 83 Na 0.47561307503095 0.02886508021920 0.73921712245689 22.990 > 42 84 Na 0.47561307503095 0.52886508021920 0.73921712245689 22.990 > 42 85 Na 0.47561307503095 0.22113491978080 0.23921712245689 22.990 > 43 86 Na 0.47561307503095 0.72113491978080 0.23921712245689 22.990 > 43 87 Na 0.52438692496906 0.47113491978080 0.26078287754311 22.990 > 44 88 Na 0.52438692496906 0.97113491978080 0.26078287754311 22.990 > 44 *89 Y 0.98426626667175 0.01951027631238 0.68273544258566 88.906 > 45 90 Y 0.98426626667175 0.51951027631238 0.68273544258566 88.906 > 45 91 Y 0.01573373332825 0.26951027631238 0.81726455741434 88.906 > 46 92 Y 0.01573373332825 0.76951027631238 0.81726455741434 88.906 > 46 93 Y 0.01573373332825 0.48048972368762 0.31726455741434 88.906 > 47 94 Y 0.01573373332825 0.98048972368762 0.31726455741434 88.906 > 47 95 Y 0.98426626667175 0.23048972368762 0.18273544258566 88.906 > 48 96 Y 0.98426626667175 0.73048972368762 0.18273544258566 88.906 > 48 *97 Y 0.18250321616648 0.20902323783148 0.58612580889332 88.906 > 49 98 Y 0.18250321616648 0.70902323783148 0.58612580889332 88.906 > 49 99 Y 0.81749678383352 0.45902323783148 0.91387419110668 88.906 > 50 100 Y 0.81749678383352 0.95902323783148 0.91387419110668 88.906 > 50 101 Y 0.81749678383352 0.29097676216852 0.41387419110668 88.906 > 51 102 Y 0.81749678383352 0.79097676216852 0.41387419110668 88.906 > 51 103 Y 0.18250321616648 0.04097676216852 0.08612580889332 88.906 > 52 104 Y 0.18250321616648 0.54097676216852 0.08612580889332 88.906 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2432944 0.0000000 -0.1349178 0.0000000 3.3651524 0.0000000 -0.1349144 0.0000000 3.3048744 -------------------------- Born effective charges -------------------------- 1 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 2 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 3 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 4 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 5 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 6 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 7 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 8 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 9 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 10 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 11 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 12 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 13 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 14 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 15 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 16 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 17 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 18 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 19 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 20 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 21 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 22 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 23 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 24 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 25 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 26 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 27 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 28 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 29 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 30 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 31 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 32 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 33 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 34 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 35 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 36 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 37 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 38 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 39 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 40 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 41 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 42 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 43 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 44 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 45 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 46 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 47 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 48 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 49 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 50 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 51 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 52 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 ---------------------------------------------------------------------------- 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: 6201 Number of blocks in projector: 6201 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), 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): 0.002 Solver_block: 100 / 1600 - Time: 1.487 Solver_block: 200 / 1600 - Time: 1.289 Solver_block: 300 / 1600 - Time: 1.290 Solver_block: 400 / 1600 - Time: 1.287 Solver_block: 500 / 1600 - Time: 1.287 Solver_block: 600 / 1600 - Time: 1.283 Solver_block: 700 / 1600 - Time: 1.284 Solver_block: 800 / 1600 - Time: 1.286 Solver_block: 900 / 1600 - Time: 1.280 Solver_block: 1000 / 1600 - Time: 1.277 Solver_block: 1100 / 1600 - Time: 1.291 Solver_block: 1200 / 1600 - Time: 1.286 Solver_block: 1300 / 1600 - Time: 1.285 Solver_block: 1400 / 1600 - Time: 1.288 Solver_block: 1500 / 1600 - Time: 1.280 Solver_block: 1600 / 1600 - Time: 1.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.311 --------------------------------- 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: 6201 Number of blocks in projector: 6201 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (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: 715 / 715 (1) 202 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: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), 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 21:33:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:33:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 6.202366460000000 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): 1 B 0.20639744866157 0.84602977652243 0.64672311771418 10.811 2 B 0.79360255133843 0.34602977652243 0.85327688228582 10.811 3 B 0.79360255133843 0.15397022347757 0.35327688228582 10.811 4 B 0.20639744866157 0.65397022347757 0.14672311771418 10.811 5 B 0.31498963613337 0.24768933195902 0.41831921025926 10.811 6 B 0.68501036386663 0.74768933195902 0.08168078974074 10.811 7 B 0.68501036386663 0.75231066804098 0.58168078974074 10.811 8 B 0.31498963613337 0.25231066804098 0.91831921025926 10.811 9 O 0.36796907109094 0.35424195897857 0.83452390594356 15.999 10 O 0.63203092890906 0.85424195897857 0.66547609405644 15.999 11 O 0.63203092890906 0.64575804102143 0.16547609405644 15.999 12 O 0.36796907109094 0.14575804102143 0.33452390594356 15.999 13 O 0.85196350120886 0.24018936328457 0.77233708762536 15.999 14 O 0.14803649879114 0.74018936328457 0.72766291237464 15.999 15 O 0.14803649879114 0.75981063671543 0.22766291237464 15.999 16 O 0.85196350120886 0.25981063671543 0.27233708762536 15.999 17 O 0.97309494871298 0.12588893767475 0.09614409305849 15.999 18 O 0.02690505128702 0.62588893767475 0.40385590694151 15.999 19 O 0.02690505128702 0.87411106232525 0.90385590694151 15.999 20 O 0.97309494871298 0.37411106232525 0.59614409305849 15.999 21 O 0.31619551958118 0.74756945583603 0.13324240994429 15.999 22 O 0.68380448041882 0.24756945583603 0.36675759005571 15.999 23 O 0.68380448041882 0.25243054416397 0.86675759005571 15.999 24 O 0.31619551958118 0.75243054416397 0.63324240994429 15.999 25 O 0.16565210642964 0.26430408292838 0.36541464264824 15.999 26 O 0.83434789357036 0.76430408292838 0.13458535735176 15.999 27 O 0.83434789357036 0.73569591707162 0.63458535735176 15.999 28 O 0.16565210642964 0.23569591707162 0.86541464264824 15.999 29 O 0.14783771488887 0.45604040481325 0.08509698335035 15.999 30 O 0.85216228511113 0.95604040481325 0.41490301664965 15.999 31 O 0.85216228511113 0.54395959518675 0.91490301664965 15.999 32 O 0.14783771488887 0.04395959518675 0.58509698335035 15.999 33 O 0.39754145628478 0.16508110230041 0.05612336699010 15.999 34 O 0.60245854371522 0.66508110230041 0.44387663300989 15.999 35 O 0.60245854371522 0.83491889769959 0.94387663300989 15.999 36 O 0.39754145628478 0.33491889769959 0.55612336699011 15.999 37 Na 0.61176169133897 0.23155367715243 0.55021415766339 22.990 38 Na 0.38823830866103 0.73155367715243 0.94978584233661 22.990 39 Na 0.38823830866103 0.76844632284757 0.44978584233661 22.990 40 Na 0.61176169133897 0.26844632284757 0.05021415766340 22.990 41 Na 0.52438692496906 0.55773016043839 0.76078287754311 22.990 42 Na 0.47561307503095 0.05773016043840 0.73921712245689 22.990 43 Na 0.47561307503095 0.44226983956160 0.23921712245689 22.990 44 Na 0.52438692496906 0.94226983956161 0.26078287754311 22.990 45 Y 0.98426626667175 0.03902055262475 0.68273544258566 88.906 46 Y 0.01573373332825 0.53902055262476 0.81726455741434 88.906 47 Y 0.01573373332825 0.96097944737524 0.31726455741434 88.906 48 Y 0.98426626667175 0.46097944737524 0.18273544258566 88.906 49 Y 0.18250321616648 0.41804647566295 0.58612580889332 88.906 50 Y 0.81749678383352 0.91804647566295 0.91387419110668 88.906 51 Y 0.81749678383352 0.58195352433705 0.41387419110668 88.906 52 Y 0.18250321616648 0.08195352433705 0.08612580889332 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 12.404732920000001 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): 1 B 0.20639744866157 0.42301488826121 0.64672311771418 10.811 > 1 2 B 0.20639744866157 0.92301488826121 0.64672311771418 10.811 > 1 3 B 0.79360255133843 0.17301488826121 0.85327688228582 10.811 > 3 4 B 0.79360255133843 0.67301488826121 0.85327688228582 10.811 > 3 5 B 0.79360255133843 0.07698511173879 0.35327688228582 10.811 > 5 6 B 0.79360255133843 0.57698511173879 0.35327688228582 10.811 > 5 7 B 0.20639744866157 0.32698511173879 0.14672311771418 10.811 > 7 8 B 0.20639744866157 0.82698511173879 0.14672311771418 10.811 > 7 9 B 0.31498963613337 0.12384466597951 0.41831921025926 10.811 > 9 10 B 0.31498963613337 0.62384466597951 0.41831921025926 10.811 > 9 11 B 0.68501036386663 0.37384466597951 0.08168078974074 10.811 > 11 12 B 0.68501036386663 0.87384466597951 0.08168078974074 10.811 > 11 13 B 0.68501036386663 0.37615533402049 0.58168078974074 10.811 > 13 14 B 0.68501036386663 0.87615533402049 0.58168078974074 10.811 > 13 15 B 0.31498963613337 0.12615533402049 0.91831921025926 10.811 > 15 16 B 0.31498963613337 0.62615533402049 0.91831921025926 10.811 > 15 17 O 0.36796907109094 0.17712097948929 0.83452390594356 15.999 > 17 18 O 0.36796907109094 0.67712097948929 0.83452390594356 15.999 > 17 19 O 0.63203092890906 0.42712097948929 0.66547609405644 15.999 > 19 20 O 0.63203092890906 0.92712097948929 0.66547609405644 15.999 > 19 21 O 0.63203092890906 0.32287902051071 0.16547609405644 15.999 > 21 22 O 0.63203092890906 0.82287902051071 0.16547609405644 15.999 > 21 23 O 0.36796907109094 0.07287902051071 0.33452390594356 15.999 > 23 24 O 0.36796907109094 0.57287902051071 0.33452390594356 15.999 > 23 25 O 0.85196350120886 0.12009468164228 0.77233708762536 15.999 > 25 26 O 0.85196350120886 0.62009468164228 0.77233708762536 15.999 > 25 27 O 0.14803649879114 0.37009468164228 0.72766291237464 15.999 > 27 28 O 0.14803649879114 0.87009468164228 0.72766291237464 15.999 > 27 29 O 0.14803649879114 0.37990531835772 0.22766291237464 15.999 > 29 30 O 0.14803649879114 0.87990531835772 0.22766291237464 15.999 > 29 31 O 0.85196350120886 0.12990531835771 0.27233708762536 15.999 > 31 32 O 0.85196350120886 0.62990531835772 0.27233708762536 15.999 > 31 33 O 0.97309494871298 0.06294446883738 0.09614409305849 15.999 > 33 34 O 0.97309494871298 0.56294446883738 0.09614409305849 15.999 > 33 35 O 0.02690505128702 0.31294446883737 0.40385590694151 15.999 > 35 36 O 0.02690505128702 0.81294446883738 0.40385590694151 15.999 > 35 37 O 0.02690505128702 0.43705553116263 0.90385590694151 15.999 > 37 38 O 0.02690505128702 0.93705553116262 0.90385590694151 15.999 > 37 39 O 0.97309494871298 0.18705553116262 0.59614409305849 15.999 > 39 40 O 0.97309494871298 0.68705553116262 0.59614409305849 15.999 > 39 41 O 0.31619551958118 0.37378472791801 0.13324240994429 15.999 > 41 42 O 0.31619551958118 0.87378472791801 0.13324240994429 15.999 > 41 43 O 0.68380448041882 0.12378472791801 0.36675759005571 15.999 > 43 44 O 0.68380448041882 0.62378472791801 0.36675759005571 15.999 > 43 45 O 0.68380448041882 0.12621527208199 0.86675759005571 15.999 > 45 46 O 0.68380448041882 0.62621527208199 0.86675759005571 15.999 > 45 47 O 0.31619551958118 0.37621527208199 0.63324240994429 15.999 > 47 48 O 0.31619551958118 0.87621527208199 0.63324240994429 15.999 > 47 49 O 0.16565210642964 0.13215204146419 0.36541464264824 15.999 > 49 50 O 0.16565210642964 0.63215204146419 0.36541464264824 15.999 > 49 51 O 0.83434789357036 0.38215204146419 0.13458535735176 15.999 > 51 52 O 0.83434789357036 0.88215204146419 0.13458535735176 15.999 > 51 53 O 0.83434789357036 0.36784795853581 0.63458535735176 15.999 > 53 54 O 0.83434789357036 0.86784795853581 0.63458535735176 15.999 > 53 55 O 0.16565210642964 0.11784795853581 0.86541464264824 15.999 > 55 56 O 0.16565210642964 0.61784795853581 0.86541464264824 15.999 > 55 57 O 0.14783771488887 0.22802020240663 0.08509698335035 15.999 > 57 58 O 0.14783771488887 0.72802020240663 0.08509698335035 15.999 > 57 59 O 0.85216228511113 0.47802020240663 0.41490301664965 15.999 > 59 60 O 0.85216228511113 0.97802020240663 0.41490301664965 15.999 > 59 61 O 0.85216228511113 0.27197979759337 0.91490301664965 15.999 > 61 62 O 0.85216228511113 0.77197979759337 0.91490301664965 15.999 > 61 63 O 0.14783771488887 0.02197979759337 0.58509698335035 15.999 > 63 64 O 0.14783771488887 0.52197979759337 0.58509698335035 15.999 > 63 65 O 0.39754145628478 0.08254055115021 0.05612336699010 15.999 > 65 66 O 0.39754145628478 0.58254055115021 0.05612336699010 15.999 > 65 67 O 0.60245854371522 0.33254055115021 0.44387663300989 15.999 > 67 68 O 0.60245854371522 0.83254055115021 0.44387663300989 15.999 > 67 69 O 0.60245854371522 0.41745944884979 0.94387663300989 15.999 > 69 70 O 0.60245854371522 0.91745944884979 0.94387663300989 15.999 > 69 71 O 0.39754145628478 0.16745944884979 0.55612336699011 15.999 > 71 72 O 0.39754145628478 0.66745944884979 0.55612336699011 15.999 > 71 73 Na 0.61176169133897 0.11577683857622 0.55021415766339 22.990 > 73 74 Na 0.61176169133897 0.61577683857622 0.55021415766339 22.990 > 73 75 Na 0.38823830866103 0.36577683857622 0.94978584233661 22.990 > 75 76 Na 0.38823830866103 0.86577683857622 0.94978584233661 22.990 > 75 77 Na 0.38823830866103 0.38422316142378 0.44978584233661 22.990 > 77 78 Na 0.38823830866103 0.88422316142378 0.44978584233661 22.990 > 77 79 Na 0.61176169133897 0.13422316142378 0.05021415766340 22.990 > 79 80 Na 0.61176169133897 0.63422316142378 0.05021415766340 22.990 > 79 81 Na 0.52438692496906 0.27886508021920 0.76078287754311 22.990 > 81 82 Na 0.52438692496906 0.77886508021920 0.76078287754311 22.990 > 81 83 Na 0.47561307503095 0.02886508021920 0.73921712245689 22.990 > 83 84 Na 0.47561307503095 0.52886508021920 0.73921712245689 22.990 > 83 85 Na 0.47561307503095 0.22113491978080 0.23921712245689 22.990 > 85 86 Na 0.47561307503095 0.72113491978080 0.23921712245689 22.990 > 85 87 Na 0.52438692496906 0.47113491978080 0.26078287754311 22.990 > 87 88 Na 0.52438692496906 0.97113491978080 0.26078287754311 22.990 > 87 89 Y 0.98426626667175 0.01951027631238 0.68273544258566 88.906 > 89 90 Y 0.98426626667175 0.51951027631238 0.68273544258566 88.906 > 89 91 Y 0.01573373332825 0.26951027631238 0.81726455741434 88.906 > 91 92 Y 0.01573373332825 0.76951027631238 0.81726455741434 88.906 > 91 93 Y 0.01573373332825 0.48048972368762 0.31726455741434 88.906 > 93 94 Y 0.01573373332825 0.98048972368762 0.31726455741434 88.906 > 93 95 Y 0.98426626667175 0.23048972368762 0.18273544258566 88.906 > 95 96 Y 0.98426626667175 0.73048972368762 0.18273544258566 88.906 > 95 97 Y 0.18250321616648 0.20902323783148 0.58612580889332 88.906 > 97 98 Y 0.18250321616648 0.70902323783148 0.58612580889332 88.906 > 97 99 Y 0.81749678383352 0.45902323783148 0.91387419110668 88.906 > 99 100 Y 0.81749678383352 0.95902323783148 0.91387419110668 88.906 > 99 101 Y 0.81749678383352 0.29097676216852 0.41387419110668 88.906 > 101 102 Y 0.81749678383352 0.79097676216852 0.41387419110668 88.906 > 101 103 Y 0.18250321616648 0.04097676216852 0.08612580889332 88.906 > 103 104 Y 0.18250321616648 0.54097676216852 0.08612580889332 88.906 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2432944 0.0000000 -0.1349178 0.0000000 3.3651524 0.0000000 -0.1349144 0.0000000 3.3048744 -------------------------- Born effective charges -------------------------- 1 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 2 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 3 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 4 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 5 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 6 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 7 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 8 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 9 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 10 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 11 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 12 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 13 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 14 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 15 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 16 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 17 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 18 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 19 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 20 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 21 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 22 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 23 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 24 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 25 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 26 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 27 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 28 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 29 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 30 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 31 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 32 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 33 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 34 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 35 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 36 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 37 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 38 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 39 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 40 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 41 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 42 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 43 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 44 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 45 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 46 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 47 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 48 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 49 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 50 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 51 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 52 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:34:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:34:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 6.202366460000000 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): 1 B 0.20639744866157 0.84602977652243 0.64672311771418 10.811 2 B 0.79360255133843 0.34602977652243 0.85327688228582 10.811 3 B 0.79360255133843 0.15397022347757 0.35327688228582 10.811 4 B 0.20639744866157 0.65397022347757 0.14672311771418 10.811 5 B 0.31498963613337 0.24768933195902 0.41831921025926 10.811 6 B 0.68501036386663 0.74768933195902 0.08168078974074 10.811 7 B 0.68501036386663 0.75231066804098 0.58168078974074 10.811 8 B 0.31498963613337 0.25231066804098 0.91831921025926 10.811 9 O 0.36796907109094 0.35424195897857 0.83452390594356 15.999 10 O 0.63203092890906 0.85424195897857 0.66547609405644 15.999 11 O 0.63203092890906 0.64575804102143 0.16547609405644 15.999 12 O 0.36796907109094 0.14575804102143 0.33452390594356 15.999 13 O 0.85196350120886 0.24018936328457 0.77233708762536 15.999 14 O 0.14803649879114 0.74018936328457 0.72766291237464 15.999 15 O 0.14803649879114 0.75981063671543 0.22766291237464 15.999 16 O 0.85196350120886 0.25981063671543 0.27233708762536 15.999 17 O 0.97309494871298 0.12588893767475 0.09614409305849 15.999 18 O 0.02690505128702 0.62588893767475 0.40385590694151 15.999 19 O 0.02690505128702 0.87411106232525 0.90385590694151 15.999 20 O 0.97309494871298 0.37411106232525 0.59614409305849 15.999 21 O 0.31619551958118 0.74756945583603 0.13324240994429 15.999 22 O 0.68380448041882 0.24756945583603 0.36675759005571 15.999 23 O 0.68380448041882 0.25243054416397 0.86675759005571 15.999 24 O 0.31619551958118 0.75243054416397 0.63324240994429 15.999 25 O 0.16565210642964 0.26430408292838 0.36541464264824 15.999 26 O 0.83434789357036 0.76430408292838 0.13458535735176 15.999 27 O 0.83434789357036 0.73569591707162 0.63458535735176 15.999 28 O 0.16565210642964 0.23569591707162 0.86541464264824 15.999 29 O 0.14783771488887 0.45604040481325 0.08509698335035 15.999 30 O 0.85216228511113 0.95604040481325 0.41490301664965 15.999 31 O 0.85216228511113 0.54395959518675 0.91490301664965 15.999 32 O 0.14783771488887 0.04395959518675 0.58509698335035 15.999 33 O 0.39754145628478 0.16508110230041 0.05612336699010 15.999 34 O 0.60245854371522 0.66508110230041 0.44387663300989 15.999 35 O 0.60245854371522 0.83491889769959 0.94387663300989 15.999 36 O 0.39754145628478 0.33491889769959 0.55612336699011 15.999 37 Na 0.61176169133897 0.23155367715243 0.55021415766339 22.990 38 Na 0.38823830866103 0.73155367715243 0.94978584233661 22.990 39 Na 0.38823830866103 0.76844632284757 0.44978584233661 22.990 40 Na 0.61176169133897 0.26844632284757 0.05021415766340 22.990 41 Na 0.52438692496906 0.55773016043839 0.76078287754311 22.990 42 Na 0.47561307503095 0.05773016043840 0.73921712245689 22.990 43 Na 0.47561307503095 0.44226983956160 0.23921712245689 22.990 44 Na 0.52438692496906 0.94226983956161 0.26078287754311 22.990 45 Y 0.98426626667175 0.03902055262475 0.68273544258566 88.906 46 Y 0.01573373332825 0.53902055262476 0.81726455741434 88.906 47 Y 0.01573373332825 0.96097944737524 0.31726455741434 88.906 48 Y 0.98426626667175 0.46097944737524 0.18273544258566 88.906 49 Y 0.18250321616648 0.41804647566295 0.58612580889332 88.906 50 Y 0.81749678383352 0.91804647566295 0.91387419110668 88.906 51 Y 0.81749678383352 0.58195352433705 0.41387419110668 88.906 52 Y 0.18250321616648 0.08195352433705 0.08612580889332 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.553346260000673 0.000000000000000 0.000000000000000 b 0.000000000000000 12.404732920000001 0.000000000000000 c -4.731074059121975 0.000000000000000 9.016192100094768 Atomic positions (fractional): 1 B 0.20639744866157 0.42301488826121 0.64672311771418 10.811 > 1 2 B 0.20639744866157 0.92301488826121 0.64672311771418 10.811 > 1 3 B 0.79360255133843 0.17301488826121 0.85327688228582 10.811 > 3 4 B 0.79360255133843 0.67301488826121 0.85327688228582 10.811 > 3 5 B 0.79360255133843 0.07698511173879 0.35327688228582 10.811 > 5 6 B 0.79360255133843 0.57698511173879 0.35327688228582 10.811 > 5 7 B 0.20639744866157 0.32698511173879 0.14672311771418 10.811 > 7 8 B 0.20639744866157 0.82698511173879 0.14672311771418 10.811 > 7 9 B 0.31498963613337 0.12384466597951 0.41831921025926 10.811 > 9 10 B 0.31498963613337 0.62384466597951 0.41831921025926 10.811 > 9 11 B 0.68501036386663 0.37384466597951 0.08168078974074 10.811 > 11 12 B 0.68501036386663 0.87384466597951 0.08168078974074 10.811 > 11 13 B 0.68501036386663 0.37615533402049 0.58168078974074 10.811 > 13 14 B 0.68501036386663 0.87615533402049 0.58168078974074 10.811 > 13 15 B 0.31498963613337 0.12615533402049 0.91831921025926 10.811 > 15 16 B 0.31498963613337 0.62615533402049 0.91831921025926 10.811 > 15 17 O 0.36796907109094 0.17712097948929 0.83452390594356 15.999 > 17 18 O 0.36796907109094 0.67712097948929 0.83452390594356 15.999 > 17 19 O 0.63203092890906 0.42712097948929 0.66547609405644 15.999 > 19 20 O 0.63203092890906 0.92712097948929 0.66547609405644 15.999 > 19 21 O 0.63203092890906 0.32287902051071 0.16547609405644 15.999 > 21 22 O 0.63203092890906 0.82287902051071 0.16547609405644 15.999 > 21 23 O 0.36796907109094 0.07287902051071 0.33452390594356 15.999 > 23 24 O 0.36796907109094 0.57287902051071 0.33452390594356 15.999 > 23 25 O 0.85196350120886 0.12009468164228 0.77233708762536 15.999 > 25 26 O 0.85196350120886 0.62009468164228 0.77233708762536 15.999 > 25 27 O 0.14803649879114 0.37009468164228 0.72766291237464 15.999 > 27 28 O 0.14803649879114 0.87009468164228 0.72766291237464 15.999 > 27 29 O 0.14803649879114 0.37990531835772 0.22766291237464 15.999 > 29 30 O 0.14803649879114 0.87990531835772 0.22766291237464 15.999 > 29 31 O 0.85196350120886 0.12990531835771 0.27233708762536 15.999 > 31 32 O 0.85196350120886 0.62990531835772 0.27233708762536 15.999 > 31 33 O 0.97309494871298 0.06294446883738 0.09614409305849 15.999 > 33 34 O 0.97309494871298 0.56294446883738 0.09614409305849 15.999 > 33 35 O 0.02690505128702 0.31294446883737 0.40385590694151 15.999 > 35 36 O 0.02690505128702 0.81294446883738 0.40385590694151 15.999 > 35 37 O 0.02690505128702 0.43705553116263 0.90385590694151 15.999 > 37 38 O 0.02690505128702 0.93705553116262 0.90385590694151 15.999 > 37 39 O 0.97309494871298 0.18705553116262 0.59614409305849 15.999 > 39 40 O 0.97309494871298 0.68705553116262 0.59614409305849 15.999 > 39 41 O 0.31619551958118 0.37378472791801 0.13324240994429 15.999 > 41 42 O 0.31619551958118 0.87378472791801 0.13324240994429 15.999 > 41 43 O 0.68380448041882 0.12378472791801 0.36675759005571 15.999 > 43 44 O 0.68380448041882 0.62378472791801 0.36675759005571 15.999 > 43 45 O 0.68380448041882 0.12621527208199 0.86675759005571 15.999 > 45 46 O 0.68380448041882 0.62621527208199 0.86675759005571 15.999 > 45 47 O 0.31619551958118 0.37621527208199 0.63324240994429 15.999 > 47 48 O 0.31619551958118 0.87621527208199 0.63324240994429 15.999 > 47 49 O 0.16565210642964 0.13215204146419 0.36541464264824 15.999 > 49 50 O 0.16565210642964 0.63215204146419 0.36541464264824 15.999 > 49 51 O 0.83434789357036 0.38215204146419 0.13458535735176 15.999 > 51 52 O 0.83434789357036 0.88215204146419 0.13458535735176 15.999 > 51 53 O 0.83434789357036 0.36784795853581 0.63458535735176 15.999 > 53 54 O 0.83434789357036 0.86784795853581 0.63458535735176 15.999 > 53 55 O 0.16565210642964 0.11784795853581 0.86541464264824 15.999 > 55 56 O 0.16565210642964 0.61784795853581 0.86541464264824 15.999 > 55 57 O 0.14783771488887 0.22802020240663 0.08509698335035 15.999 > 57 58 O 0.14783771488887 0.72802020240663 0.08509698335035 15.999 > 57 59 O 0.85216228511113 0.47802020240663 0.41490301664965 15.999 > 59 60 O 0.85216228511113 0.97802020240663 0.41490301664965 15.999 > 59 61 O 0.85216228511113 0.27197979759337 0.91490301664965 15.999 > 61 62 O 0.85216228511113 0.77197979759337 0.91490301664965 15.999 > 61 63 O 0.14783771488887 0.02197979759337 0.58509698335035 15.999 > 63 64 O 0.14783771488887 0.52197979759337 0.58509698335035 15.999 > 63 65 O 0.39754145628478 0.08254055115021 0.05612336699010 15.999 > 65 66 O 0.39754145628478 0.58254055115021 0.05612336699010 15.999 > 65 67 O 0.60245854371522 0.33254055115021 0.44387663300989 15.999 > 67 68 O 0.60245854371522 0.83254055115021 0.44387663300989 15.999 > 67 69 O 0.60245854371522 0.41745944884979 0.94387663300989 15.999 > 69 70 O 0.60245854371522 0.91745944884979 0.94387663300989 15.999 > 69 71 O 0.39754145628478 0.16745944884979 0.55612336699011 15.999 > 71 72 O 0.39754145628478 0.66745944884979 0.55612336699011 15.999 > 71 73 Na 0.61176169133897 0.11577683857622 0.55021415766339 22.990 > 73 74 Na 0.61176169133897 0.61577683857622 0.55021415766339 22.990 > 73 75 Na 0.38823830866103 0.36577683857622 0.94978584233661 22.990 > 75 76 Na 0.38823830866103 0.86577683857622 0.94978584233661 22.990 > 75 77 Na 0.38823830866103 0.38422316142378 0.44978584233661 22.990 > 77 78 Na 0.38823830866103 0.88422316142378 0.44978584233661 22.990 > 77 79 Na 0.61176169133897 0.13422316142378 0.05021415766340 22.990 > 79 80 Na 0.61176169133897 0.63422316142378 0.05021415766340 22.990 > 79 81 Na 0.52438692496906 0.27886508021920 0.76078287754311 22.990 > 81 82 Na 0.52438692496906 0.77886508021920 0.76078287754311 22.990 > 81 83 Na 0.47561307503095 0.02886508021920 0.73921712245689 22.990 > 83 84 Na 0.47561307503095 0.52886508021920 0.73921712245689 22.990 > 83 85 Na 0.47561307503095 0.22113491978080 0.23921712245689 22.990 > 85 86 Na 0.47561307503095 0.72113491978080 0.23921712245689 22.990 > 85 87 Na 0.52438692496906 0.47113491978080 0.26078287754311 22.990 > 87 88 Na 0.52438692496906 0.97113491978080 0.26078287754311 22.990 > 87 89 Y 0.98426626667175 0.01951027631238 0.68273544258566 88.906 > 89 90 Y 0.98426626667175 0.51951027631238 0.68273544258566 88.906 > 89 91 Y 0.01573373332825 0.26951027631238 0.81726455741434 88.906 > 91 92 Y 0.01573373332825 0.76951027631238 0.81726455741434 88.906 > 91 93 Y 0.01573373332825 0.48048972368762 0.31726455741434 88.906 > 93 94 Y 0.01573373332825 0.98048972368762 0.31726455741434 88.906 > 93 95 Y 0.98426626667175 0.23048972368762 0.18273544258566 88.906 > 95 96 Y 0.98426626667175 0.73048972368762 0.18273544258566 88.906 > 95 97 Y 0.18250321616648 0.20902323783148 0.58612580889332 88.906 > 97 98 Y 0.18250321616648 0.70902323783148 0.58612580889332 88.906 > 97 99 Y 0.81749678383352 0.45902323783148 0.91387419110668 88.906 > 99 100 Y 0.81749678383352 0.95902323783148 0.91387419110668 88.906 > 99 101 Y 0.81749678383352 0.29097676216852 0.41387419110668 88.906 > 101 102 Y 0.81749678383352 0.79097676216852 0.41387419110668 88.906 > 101 103 Y 0.18250321616648 0.04097676216852 0.08612580889332 88.906 > 103 104 Y 0.18250321616648 0.54097676216852 0.08612580889332 88.906 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2432944 0.0000000 -0.1349178 0.0000000 3.3651524 0.0000000 -0.1349144 0.0000000 3.3048744 -------------------------- Born effective charges -------------------------- 1 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 2 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 3 B 2.2351969 -0.2776186 -0.4612915 -0.4837373 2.3871724 -0.6771041 -0.4112595 -0.6356362 1.3205195 4 B 2.2351969 0.2776186 -0.4612915 0.4837373 2.3871724 0.6771041 -0.4112595 0.6356362 1.3205195 5 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 6 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 7 B 2.4393400 -0.4955758 0.0912567 -0.4793375 0.8602346 0.8189778 0.0119043 0.9023631 2.2591719 8 B 2.4393400 0.4955758 0.0912567 0.4793375 0.8602346 -0.8189778 0.0119043 -0.9023631 2.2591719 9 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 10 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 11 O -1.9086802 -0.3909744 0.2106407 -0.3128231 -1.3285108 0.4634474 0.2249235 0.4499173 -2.0664348 12 O -1.9086802 0.3909744 0.2106407 0.3128231 -1.3285108 -0.4634474 0.2249235 -0.4499173 -2.0664348 13 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 14 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 15 O -2.0231718 0.2222173 0.6578065 0.0737855 -2.0853906 -0.2775603 0.7653171 -0.3158056 -1.5763704 16 O -2.0231718 -0.2222173 0.6578065 -0.0737855 -2.0853906 0.2775603 0.7653171 0.3158056 -1.5763704 17 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 18 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 19 O -1.8593224 0.0063077 0.2217956 -0.1020326 -2.5199051 -0.2627355 0.1691553 -0.4296927 -2.4818730 20 O -1.8593224 -0.0063077 0.2217956 0.1020326 -2.5199051 0.2627355 0.1691553 0.4296927 -2.4818730 21 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 22 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 23 O -2.2033769 -0.1933346 -0.0086071 -0.2396023 -1.8122686 0.0508184 -0.0220168 0.0518559 -1.2361056 24 O -2.2033769 0.1933346 -0.0086071 0.2396023 -1.8122686 -0.0508184 -0.0220168 -0.0518559 -1.2361056 25 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 26 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 27 O -2.2950232 0.1216758 -0.2953477 0.0589837 -1.6142202 -0.1360220 -0.2831144 -0.1456553 -1.9612386 28 O -2.2950232 -0.1216758 -0.2953477 -0.0589837 -1.6142202 0.1360220 -0.2831144 0.1456553 -1.9612386 29 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 30 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 31 O -1.3973683 -0.0876829 0.2602898 -0.2614134 -2.6595679 -0.4071647 0.2461584 -0.2881536 -1.6503220 32 O -1.3973683 0.0876829 0.2602898 0.2614134 -2.6595679 0.4071647 0.2461584 0.2881536 -1.6503220 33 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 34 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 35 O -1.8640963 -0.0874851 -0.1894096 -0.0800405 -1.2438199 0.4500165 -0.1233867 0.4916918 -2.1081258 36 O -1.8640963 0.0874851 -0.1894096 0.0800405 -1.2438199 -0.4500165 -0.1233867 -0.4916918 -2.1081258 37 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 38 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 39 Na 1.2663937 0.0135750 0.1215177 0.0394370 1.0697884 -0.0633937 0.1377964 -0.0253985 1.1271108 40 Na 1.2663937 -0.0135750 0.1215177 -0.0394370 1.0697884 0.0633937 0.1377964 0.0253985 1.1271108 41 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 42 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 43 Na 1.3674684 0.0708927 0.2086674 0.0400640 1.0525401 0.0151882 0.1418498 0.0667591 1.1250470 44 Na 1.3674684 -0.0708927 0.2086674 -0.0400640 1.0525401 -0.0151882 0.1418498 -0.0667591 1.1250470 45 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 46 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 47 Y 2.9205892 0.1730731 -0.5884797 0.0503451 4.0777495 -0.1584680 -0.6630764 -0.0120049 3.6591724 48 Y 2.9205892 -0.1730731 -0.5884797 -0.0503451 4.0777495 0.1584680 -0.6630764 0.0120049 3.6591724 49 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 50 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 51 Y 3.3220509 -0.1438327 -0.2288386 -0.1973621 3.8161982 -0.1354444 -0.1942510 -0.1537834 3.5894486 52 Y 3.3220509 0.1438327 -0.2288386 0.1973621 3.8161982 0.1354444 -0.1942510 0.1537834 3.5894486 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 5 8 6 ] 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: 0.50, Number of G-points: 281, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.925 ( 0.000 0.000 0.000) 0.000 12.431 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 16.912 ( 0.000 0.000 0.000) 0.000 17.125 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.655 ( 0.000 0.000 0.000) 0.000 17.909 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 17.993 ( 0.000 0.000 0.000) 0.000 18.178 ( 0.000 0.000 0.000) 0.000 18.396 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 18.581 ( 0.000 0.000 0.000) 0.000 18.749 ( 0.000 0.000 0.000) 0.000 20.666 ( 0.000 0.000 0.000) 0.000 20.753 ( 0.000 0.000 0.000) 0.000 20.758 ( 0.000 0.000 0.000) 0.000 20.814 ( 0.000 0.000 0.000) 0.000 21.464 ( 0.000 0.000 0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 21.548 ( 0.000 0.000 0.000) 0.000 21.550 ( 0.000 0.000 0.000) 0.000 27.240 ( 0.000 0.000 0.000) 0.000 27.252 ( 0.000 0.000 0.000) 0.000 27.286 ( 0.000 0.000 0.000) 0.000 27.296 ( 0.000 0.000 0.000) 0.000 27.588 ( 0.000 0.000 0.000) 0.000 27.624 ( 0.000 0.000 0.000) 0.000 27.650 ( 0.000 0.000 0.000) 0.000 27.666 ( 0.000 0.000 0.000) 0.000 35.043 ( 0.000 0.000 0.000) 0.000 35.104 ( 0.000 0.000 0.000) 0.000 35.411 ( 0.000 0.000 0.000) 0.000 35.548 ( 0.000 0.000 0.000) 0.000 35.713 ( 0.000 0.000 0.000) 0.000 36.063 ( 0.000 0.000 0.000) 0.000 36.276 ( 0.000 0.000 0.000) 0.000 36.626 ( 0.000 0.000 0.000) 0.000 39.151 ( 0.000 0.000 0.000) 0.000 39.244 ( 0.000 0.000 0.000) 0.000 39.637 ( 0.000 0.000 0.000) 0.000 39.936 ( 0.000 0.000 0.000) 0.000 40.011 ( 0.000 0.000 0.000) 0.000 40.296 ( 0.000 0.000 0.000) 0.000 40.979 ( 0.000 0.000 0.000) 0.000 41.395 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 29.603 0.000 13.915) 32.710 0.832 ( 32.398 0.000 18.190) 37.155 1.293 ( 48.104 0.000 30.307) 56.855 2.370 ( 0.951 0.000 0.322) 1.004 2.554 ( -1.651 0.000 -3.080) 3.495 2.815 ( 2.208 0.000 8.603) 8.882 2.999 ( -7.001 0.000 0.517) 7.020 3.100 ( -3.190 0.000 -13.117) 13.499 3.167 ( 1.866 0.000 -9.244) 9.430 3.182 ( -11.217 0.000 -7.447) 13.464 3.311 ( -13.300 0.000 -7.410) 15.225 3.461 ( -2.188 0.000 -5.736) 6.139 3.484 ( -4.810 0.000 9.699) 10.826 3.589 ( -4.213 0.000 0.952) 4.319 3.743 ( 10.924 0.000 -1.907) 11.090 3.765 ( -3.134 0.000 10.080) 10.556 3.819 ( -0.887 0.000 3.945) 4.043 3.866 ( -1.005 0.000 -4.088) 4.210 4.061 ( 8.914 0.000 2.349) 9.218 4.123 ( 3.137 0.000 -0.165) 3.141 4.177 ( -2.775 0.000 0.496) 2.819 4.227 ( 0.671 0.000 1.157) 1.337 4.476 ( 2.486 0.000 2.611) 3.606 4.522 ( 6.420 0.000 1.087) 6.512 4.523 ( 4.292 0.000 3.670) 5.647 4.629 ( 3.871 0.000 5.174) 6.462 4.759 ( -0.091 0.000 0.180) 0.202 4.771 ( 5.069 0.000 -6.339) 8.117 4.916 ( 0.641 0.000 -0.895) 1.101 4.997 ( 11.447 0.000 -1.303) 11.521 5.176 ( 0.737 0.000 1.631) 1.790 5.213 ( -11.891 0.000 -10.976) 16.182 5.246 ( 1.259 0.000 -0.462) 1.341 5.372 ( -6.753 0.000 -1.406) 6.898 5.439 ( -12.613 0.000 -1.929) 12.760 5.589 ( -9.114 0.000 -1.715) 9.274 5.637 ( -7.521 0.000 -2.923) 8.069 5.687 ( 0.569 0.000 0.213) 0.608 5.743 ( -2.047 0.000 1.942) 2.821 5.805 ( -4.032 0.000 -6.254) 7.441 5.870 ( -0.660 0.000 2.944) 3.018 5.891 ( 1.643 0.000 -1.144) 2.002 5.984 ( 3.996 0.000 1.291) 4.200 6.028 ( 4.741 0.000 -6.997) 8.452 6.162 ( 3.032 0.000 -4.382) 5.329 6.218 ( 3.862 0.000 4.309) 5.787 6.238 ( 3.672 0.000 2.779) 4.605 6.306 ( -2.364 0.000 1.721) 2.925 6.386 ( -5.172 0.000 0.754) 5.227 6.475 ( -3.902 0.000 -0.418) 3.924 6.526 ( -3.088 0.000 1.524) 3.444 6.652 ( 0.169 0.000 -1.435) 1.445 6.708 ( 4.368 0.000 3.635) 5.683 6.743 ( -1.268 0.000 -1.263) 1.790 6.757 ( -3.368 0.000 1.075) 3.536 6.839 ( 0.843 0.000 3.966) 4.055 6.912 ( 6.038 0.000 -0.891) 6.104 6.967 ( 2.662 0.000 1.342) 2.981 7.003 ( -0.224 0.000 -1.431) 1.448 7.078 ( -1.166 0.000 -1.270) 1.724 7.167 ( -5.464 0.000 1.798) 5.752 7.206 ( 1.793 0.000 -0.063) 1.794 7.229 ( 1.503 0.000 -2.396) 2.829 7.281 ( -2.670 0.000 -1.659) 3.144 7.380 ( -2.858 0.000 0.705) 2.944 7.382 ( -1.201 0.000 -1.220) 1.712 7.424 ( 1.289 0.000 2.986) 3.252 7.545 ( 1.515 0.000 2.127) 2.612 7.612 ( 9.474 0.000 -2.106) 9.706 7.719 ( 2.517 0.000 10.255) 10.560 7.796 ( -4.484 0.000 -2.275) 5.028 7.825 ( 6.093 0.000 1.387) 6.249 7.897 ( -1.783 0.000 -0.458) 1.841 7.938 ( 5.494 0.000 -1.009) 5.586 7.971 ( 0.511 0.000 -4.961) 4.987 7.988 ( 3.113 0.000 -6.950) 7.615 8.187 ( 7.230 0.000 8.041) 10.813 8.246 ( -0.716 0.000 0.178) 0.738 8.268 ( -3.574 0.000 2.071) 4.130 8.391 ( 3.877 0.000 3.192) 5.022 8.485 ( 2.672 0.000 6.843) 7.346 8.550 ( -1.951 0.000 0.430) 1.998 8.617 ( -3.776 0.000 -8.718) 9.501 8.841 ( -7.328 0.000 5.381) 9.091 8.926 ( -5.734 0.000 -1.063) 5.832 8.952 ( 0.681 0.000 -6.025) 6.063 8.988 ( -8.819 0.000 -0.736) 8.850 9.033 ( -0.853 0.000 1.773) 1.968 9.338 ( 1.567 0.000 3.971) 4.269 9.447 ( 0.385 0.000 -0.604) 0.716 9.469 ( -1.949 0.000 -0.732) 2.082 9.815 ( -3.916 0.000 2.218) 4.501 9.840 ( 2.643 0.000 -5.211) 5.843 10.115 ( 7.357 0.000 6.132) 9.577 10.332 ( 1.240 0.000 3.985) 4.174 10.778 ( -0.559 0.000 -0.400) 0.688 11.272 ( 9.240 0.000 -18.595) 20.764 11.441 ( -2.040 0.000 2.400) 3.150 11.499 ( -0.299 0.000 -3.273) 3.287 11.936 ( 6.344 0.000 -13.930) 15.307 12.444 ( 0.881 0.000 0.568) 1.048 12.465 ( 0.552 0.000 -1.760) 1.845 12.948 ( -9.327 0.000 11.083) 14.485 13.263 ( -0.493 0.000 -0.255) 0.555 14.876 ( -2.534 0.000 0.752) 2.643 15.748 ( -11.727 0.000 17.962) 21.451 15.875 ( 0.242 0.000 -0.714) 0.754 15.905 ( 0.539 0.000 -1.106) 1.231 16.882 ( -1.447 0.000 -0.442) 1.513 16.924 ( 0.660 0.000 0.178) 0.684 17.044 ( -5.177 0.000 -0.009) 5.177 17.267 ( 3.418 0.000 -0.232) 3.425 17.275 ( 0.790 0.000 0.458) 0.913 17.347 ( 4.759 0.000 0.302) 4.768 17.574 ( -2.189 0.000 0.230) 2.201 17.658 ( -0.341 0.000 -3.033) 3.052 17.914 ( 0.545 0.000 -0.100) 0.554 17.999 ( -1.225 0.000 -0.902) 1.522 18.019 ( 1.541 0.000 1.791) 2.363 18.160 ( -0.807 0.000 -1.699) 1.881 18.327 ( -3.454 0.000 -2.170) 4.079 18.580 ( 3.635 0.000 2.618) 4.479 18.600 ( 1.053 0.000 1.320) 1.689 18.795 ( 3.423 0.000 0.934) 3.549 20.747 ( -1.610 0.000 1.479) 2.186 20.764 ( 0.696 0.000 0.824) 1.078 20.814 ( -0.325 0.000 0.404) 0.519 20.826 ( -5.971 0.000 13.154) 14.446 21.453 ( -0.286 0.000 -0.949) 0.991 21.488 ( 0.637 0.000 0.250) 0.684 21.538 ( -0.349 0.000 -0.264) 0.438 21.561 ( 0.332 0.000 0.473) 0.578 27.206 ( -1.913 0.000 -0.246) 1.928 27.276 ( 1.392 0.000 -0.357) 1.437 27.292 ( 0.754 0.000 -0.377) 0.843 27.364 ( -1.696 0.000 2.381) 2.923 27.590 ( 0.211 0.000 -0.063) 0.220 27.624 ( 0.309 0.000 -0.585) 0.662 27.660 ( -0.844 0.000 0.391) 0.930 27.661 ( 0.327 0.000 -1.315) 1.355 35.043 ( 1.211 0.000 -1.863) 2.222 35.435 ( 1.224 0.000 1.318) 1.799 35.535 ( -0.653 0.000 -0.460) 0.799 35.696 ( 7.245 0.000 -11.231) 13.364 36.055 ( -0.859 0.000 0.564) 1.028 36.167 ( -5.785 0.000 -0.185) 5.788 36.426 ( 6.011 0.000 -0.918) 6.080 36.600 ( -1.748 0.000 -1.321) 2.191 39.113 ( -1.147 0.000 -2.922) 3.140 39.278 ( 1.061 0.000 2.601) 2.809 39.705 ( 4.056 0.000 5.236) 6.623 40.060 ( 3.396 0.000 1.798) 3.842 40.247 ( -2.357 0.000 -4.288) 4.893 40.926 ( 14.457 0.000 -26.136) 29.868 40.975 ( -1.698 0.000 2.532) 3.049 41.345 ( -3.506 0.000 -2.512) 4.314 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 17.870 0.000 8.606) 19.835 1.515 ( 20.570 0.000 9.701) 22.743 2.272 ( 19.731 0.000 18.833) 27.276 2.409 ( 1.175 0.000 10.160) 10.228 2.441 ( -5.946 0.000 -5.618) 8.180 2.688 ( -8.541 0.000 -21.166) 22.824 2.775 ( -7.145 0.000 1.746) 7.356 2.953 ( -2.874 0.000 0.392) 2.901 3.056 ( -0.616 0.000 -3.370) 3.426 3.147 ( 3.072 0.000 2.268) 3.819 3.253 ( 6.285 0.000 -3.834) 7.362 3.302 ( -5.428 0.000 -2.860) 6.136 3.494 ( -1.566 0.000 3.055) 3.433 3.532 ( -2.336 0.000 -1.343) 2.694 3.748 ( -4.271 0.000 -0.647) 4.320 3.798 ( -1.138 0.000 -1.210) 1.661 3.889 ( 0.435 0.000 6.328) 6.343 3.899 ( 5.013 0.000 -1.280) 5.174 4.077 ( -2.328 0.000 -1.486) 2.762 4.137 ( 1.801 0.000 4.649) 4.986 4.225 ( -1.506 0.000 -1.645) 2.230 4.231 ( 1.652 0.000 0.036) 1.652 4.413 ( -2.524 0.000 -5.475) 6.029 4.639 ( 2.910 0.000 3.742) 4.740 4.710 ( 4.827 0.000 6.968) 8.476 4.729 ( 2.167 0.000 -0.272) 2.184 4.804 ( 0.891 0.000 5.469) 5.541 4.850 ( -0.541 0.000 -4.728) 4.759 4.949 ( -3.971 0.000 -3.801) 5.497 4.990 ( 13.012 0.000 1.915) 13.152 5.119 ( 3.381 0.000 -3.997) 5.235 5.125 ( -10.333 0.000 -7.920) 13.019 5.209 ( -4.452 0.000 2.044) 4.899 5.217 ( -7.044 0.000 -2.654) 7.527 5.321 ( 5.011 0.000 1.904) 5.360 5.445 ( -6.354 0.000 -1.735) 6.587 5.488 ( 0.590 0.000 1.907) 1.997 5.603 ( -6.917 0.000 -0.388) 6.928 5.679 ( -0.857 0.000 -4.971) 5.044 5.729 ( -0.501 0.000 0.661) 0.830 5.865 ( -1.781 0.000 0.567) 1.869 5.939 ( -1.131 0.000 5.609) 5.722 6.094 ( 7.630 0.000 -4.335) 8.776 6.095 ( 6.621 0.000 -4.378) 7.937 6.146 ( 1.284 0.000 -4.242) 4.432 6.186 ( -5.376 0.000 -0.153) 5.379 6.244 ( -5.385 0.000 0.042) 5.385 6.324 ( 1.085 0.000 1.880) 2.171 6.333 ( -0.700 0.000 3.784) 3.848 6.463 ( 1.020 0.000 0.201) 1.039 6.464 ( -4.402 0.000 2.122) 4.886 6.642 ( 0.057 0.000 -0.562) 0.564 6.665 ( -3.059 0.000 -1.176) 3.278 6.718 ( -2.177 0.000 2.520) 3.330 6.788 ( 0.799 0.000 1.615) 1.802 6.959 ( -1.387 0.000 -1.396) 1.968 6.965 ( 5.181 0.000 3.258) 6.121 7.022 ( 3.984 0.000 -1.617) 4.299 7.032 ( 1.807 0.000 0.368) 1.844 7.067 ( -0.459 0.000 1.557) 1.623 7.097 ( -1.774 0.000 0.545) 1.856 7.201 ( -1.959 0.000 -2.983) 3.569 7.264 ( 2.607 0.000 -1.996) 3.283 7.268 ( 4.906 0.000 -2.316) 5.425 7.346 ( -0.575 0.000 2.276) 2.348 7.433 ( 3.351 0.000 2.177) 3.996 7.473 ( 0.050 0.000 3.710) 3.710 7.562 ( -3.098 0.000 -0.488) 3.137 7.677 ( -1.813 0.000 0.224) 1.826 7.729 ( -0.267 0.000 -2.061) 2.078 7.800 ( -1.201 0.000 2.587) 2.852 7.808 ( -0.867 0.000 -3.114) 3.232 7.830 ( -3.965 0.000 1.303) 4.174 8.026 ( 7.859 0.000 4.710) 9.162 8.048 ( 4.939 0.000 -0.096) 4.940 8.133 ( 10.204 0.000 -5.262) 11.480 8.247 ( -0.351 0.000 0.094) 0.363 8.252 ( -0.459 0.000 5.398) 5.418 8.330 ( -0.849 0.000 -4.404) 4.485 8.441 ( 0.767 0.000 -2.323) 2.446 8.504 ( -1.411 0.000 0.612) 1.538 8.536 ( -2.165 0.000 9.805) 10.041 8.604 ( 2.748 0.000 1.275) 3.029 8.707 ( -4.063 0.000 -1.029) 4.191 8.775 ( -4.959 0.000 -6.085) 7.850 8.808 ( -6.833 0.000 -0.806) 6.881 8.929 ( -1.088 0.000 0.996) 1.475 9.034 ( 0.470 0.000 -1.528) 1.598 9.394 ( 0.361 0.000 3.177) 3.198 9.426 ( -1.390 0.000 -0.330) 1.429 9.438 ( -0.191 0.000 -1.442) 1.455 9.786 ( -0.690 0.000 0.193) 0.716 9.831 ( 1.046 0.000 -2.888) 3.071 10.295 ( 4.693 0.000 3.212) 5.687 10.396 ( 1.221 0.000 2.217) 2.531 10.756 ( -0.780 0.000 -0.690) 1.041 11.260 ( 2.282 0.000 -5.250) 5.725 11.427 ( -1.978 0.000 3.092) 3.671 11.463 ( 0.548 0.000 -3.643) 3.683 11.919 ( 1.360 0.000 -3.709) 3.951 12.456 ( 0.157 0.000 -1.115) 1.126 12.465 ( 0.559 0.000 0.317) 0.643 12.884 ( -3.701 0.000 2.716) 4.591 13.252 ( -0.287 0.000 -0.213) 0.358 14.839 ( -1.507 0.000 0.522) 1.595 15.711 ( -3.344 0.000 4.136) 5.319 15.872 ( 0.106 0.000 -0.483) 0.494 15.903 ( 0.227 0.000 -0.736) 0.770 16.853 ( -0.928 0.000 -0.254) 0.962 16.936 ( 0.334 0.000 0.044) 0.337 16.970 ( -2.125 0.000 -0.072) 2.126 17.295 ( 0.644 0.000 0.337) 0.727 17.319 ( 2.016 0.000 -0.380) 2.052 17.441 ( 4.047 0.000 0.783) 4.122 17.520 ( -3.363 0.000 -0.008) 3.363 17.623 ( -0.848 0.000 -0.838) 1.192 17.924 ( 0.519 0.000 -0.074) 0.524 17.969 ( -0.960 0.000 -0.255) 0.993 18.066 ( 0.682 0.000 1.956) 2.071 18.129 ( 0.208 0.000 -2.315) 2.324 18.258 ( -2.050 0.000 -0.454) 2.100 18.634 ( 0.892 0.000 0.729) 1.152 18.652 ( 1.630 0.000 1.013) 1.919 18.859 ( 1.796 0.000 0.455) 1.853 20.735 ( -0.657 0.000 0.532) 0.846 20.789 ( 0.990 0.000 0.516) 1.116 20.807 ( -0.736 0.000 0.274) 0.785 20.840 ( -1.120 0.000 2.969) 3.173 21.443 ( -0.134 0.000 -0.319) 0.346 21.498 ( 0.222 0.000 0.133) 0.259 21.531 ( -0.156 0.000 -0.093) 0.181 21.569 ( 0.142 0.000 0.227) 0.268 27.175 ( -0.848 0.000 -0.211) 0.874 27.292 ( 0.512 0.000 -0.186) 0.545 27.303 ( 0.654 0.000 -0.353) 0.743 27.355 ( -0.848 0.000 0.850) 1.201 27.593 ( 0.160 0.000 -0.038) 0.164 27.627 ( 0.567 0.000 -0.617) 0.838 27.646 ( -0.892 0.000 0.502) 1.024 27.655 ( -0.092 0.000 -0.309) 0.322 35.053 ( 1.090 0.000 -1.041) 1.507 35.460 ( 0.199 0.000 0.621) 0.652 35.524 ( -0.191 0.000 -0.054) 0.198 35.713 ( 2.151 0.000 -3.394) 4.018 36.051 ( -0.139 0.000 0.518) 0.536 36.088 ( -2.423 0.000 0.474) 2.469 36.501 ( 2.110 0.000 -0.041) 2.111 36.554 ( -1.259 0.000 -0.907) 1.551 39.074 ( -0.498 0.000 -1.264) 1.359 39.313 ( 0.431 0.000 1.090) 1.172 39.872 ( 6.126 0.000 7.347) 9.566 40.058 ( -4.895 0.000 -4.499) 6.649 40.207 ( 2.438 0.000 -0.863) 2.587 40.943 ( 6.236 0.000 -10.157) 11.919 40.965 ( -3.139 0.000 4.696) 5.648 41.250 ( -2.674 0.000 -1.838) 3.245 ======================= Grid point 5 (4/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 31.565 0.000) 31.565 0.723 ( 0.000 35.565 0.000) 35.565 1.344 ( 0.000 63.684 0.000) 63.684 2.367 ( 0.000 1.797 0.000) 1.797 2.590 ( 0.000 -0.891 0.000) 0.891 2.857 ( 0.000 3.420 0.000) 3.420 3.078 ( 0.000 3.269 0.000) 3.269 3.203 ( 0.000 -0.371 0.000) 0.371 3.234 ( 0.000 1.759 0.000) 1.759 3.324 ( 0.000 -0.519 0.000) 0.519 3.534 ( 0.000 3.581 0.000) 3.581 3.576 ( 0.000 -4.636 0.000) 4.636 3.607 ( 0.000 7.582 0.000) 7.582 3.662 ( 0.000 3.855 0.000) 3.855 3.700 ( 0.000 9.396 0.000) 9.396 3.828 ( 0.000 1.852 0.000) 1.852 3.871 ( 0.000 -3.477 0.000) 3.477 3.895 ( 0.000 0.036 0.000) 0.036 3.964 ( 0.000 1.718 0.000) 1.718 3.995 ( 0.000 8.295 0.000) 8.295 4.158 ( 0.000 3.683 0.000) 3.683 4.227 ( 0.000 0.159 0.000) 0.159 4.412 ( 0.000 -4.202 0.000) 4.202 4.438 ( 0.000 -0.342 0.000) 0.342 4.587 ( 0.000 4.220 0.000) 4.220 4.591 ( 0.000 -0.493 0.000) 0.493 4.718 ( 0.000 -1.247 0.000) 1.247 4.765 ( 0.000 -1.873 0.000) 1.873 4.798 ( 0.000 -1.234 0.000) 1.234 5.011 ( 0.000 1.321 0.000) 1.321 5.161 ( 0.000 -2.057 0.000) 2.057 5.247 ( 0.000 1.781 0.000) 1.781 5.360 ( 0.000 -7.537 0.000) 7.537 5.393 ( 0.000 -1.475 0.000) 1.475 5.523 ( 0.000 -5.932 0.000) 5.932 5.579 ( 0.000 -4.304 0.000) 4.304 5.609 ( 0.000 -3.910 0.000) 3.910 5.698 ( 0.000 -2.378 0.000) 2.378 5.787 ( 0.000 3.274 0.000) 3.274 5.853 ( 0.000 6.432 0.000) 6.432 5.876 ( 0.000 2.605 0.000) 2.605 5.966 ( 0.000 0.366 0.000) 0.366 6.039 ( 0.000 6.198 0.000) 6.198 6.039 ( 0.000 -1.814 0.000) 1.814 6.113 ( 0.000 0.697 0.000) 0.697 6.181 ( 0.000 -0.185 0.000) 0.185 6.240 ( 0.000 2.422 0.000) 2.422 6.369 ( 0.000 -12.025 0.000) 12.025 6.382 ( 0.000 6.987 0.000) 6.987 6.451 ( 0.000 2.362 0.000) 2.362 6.600 ( 0.000 -2.769 0.000) 2.769 6.668 ( 0.000 7.183 0.000) 7.183 6.672 ( 0.000 -1.749 0.000) 1.749 6.705 ( 0.000 2.923 0.000) 2.923 6.768 ( 0.000 -0.130 0.000) 0.130 6.853 ( 0.000 0.692 0.000) 0.692 6.910 ( 0.000 7.588 0.000) 7.588 6.962 ( 0.000 -3.606 0.000) 3.606 7.095 ( 0.000 -7.614 0.000) 7.614 7.095 ( 0.000 0.500 0.000) 0.500 7.151 ( 0.000 -3.156 0.000) 3.156 7.159 ( 0.000 2.295 0.000) 2.295 7.265 ( 0.000 0.503 0.000) 0.503 7.283 ( 0.000 -2.490 0.000) 2.490 7.333 ( 0.000 -4.591 0.000) 4.591 7.388 ( 0.000 1.882 0.000) 1.882 7.442 ( 0.000 -0.697 0.000) 0.697 7.511 ( 0.000 -0.146 0.000) 0.146 7.615 ( 0.000 4.288 0.000) 4.288 7.629 ( 0.000 -2.950 0.000) 2.950 7.722 ( 0.000 7.282 0.000) 7.282 7.780 ( 0.000 1.089 0.000) 1.089 7.889 ( 0.000 -3.775 0.000) 3.775 7.916 ( 0.000 4.238 0.000) 4.238 7.974 ( 0.000 -1.001 0.000) 1.001 7.998 ( 0.000 0.208 0.000) 0.208 8.011 ( 0.000 -1.443 0.000) 1.443 8.052 ( 0.000 -6.825 0.000) 6.825 8.400 ( 0.000 7.169 0.000) 7.169 8.510 ( 0.000 -3.499 0.000) 3.499 8.515 ( 0.000 8.662 0.000) 8.662 8.553 ( 0.000 -6.244 0.000) 6.244 8.581 ( 0.000 -6.008 0.000) 6.008 8.798 ( 0.000 -4.475 0.000) 4.475 8.890 ( 0.000 0.384 0.000) 0.384 9.004 ( 0.000 0.775 0.000) 0.775 9.030 ( 0.000 -1.521 0.000) 1.521 9.167 ( 0.000 6.581 0.000) 6.581 9.317 ( 0.000 1.686 0.000) 1.686 9.423 ( 0.000 -1.870 0.000) 1.870 9.470 ( 0.000 -1.839 0.000) 1.839 9.675 ( 0.000 -5.571 0.000) 5.571 10.130 ( 0.000 9.549 0.000) 9.549 10.265 ( 0.000 -2.816 0.000) 2.816 10.411 ( 0.000 2.611 0.000) 2.611 10.521 ( 0.000 1.836 0.000) 1.836 10.776 ( 0.000 -0.390 0.000) 0.390 11.531 ( 0.000 0.632 0.000) 0.632 11.913 ( 0.000 -0.966 0.000) 0.966 12.345 ( 0.000 -4.580 0.000) 4.580 12.482 ( 0.000 -0.086 0.000) 0.086 12.549 ( 0.000 5.532 0.000) 5.532 12.859 ( 0.000 -3.663 0.000) 3.663 13.275 ( 0.000 0.103 0.000) 0.103 15.246 ( 0.000 -1.299 0.000) 1.299 15.753 ( 0.000 -6.599 0.000) 6.599 15.888 ( 0.000 1.120 0.000) 1.120 16.019 ( 0.000 5.757 0.000) 5.757 16.884 ( 0.000 -1.601 0.000) 1.601 16.889 ( 0.000 -1.874 0.000) 1.874 17.110 ( 0.000 -1.005 0.000) 1.005 17.236 ( 0.000 2.107 0.000) 2.107 17.271 ( 0.000 0.863 0.000) 0.863 17.371 ( 0.000 4.281 0.000) 4.281 17.549 ( 0.000 -3.635 0.000) 3.635 17.677 ( 0.000 1.275 0.000) 1.275 17.891 ( 0.000 -1.987 0.000) 1.987 17.900 ( 0.000 -0.946 0.000) 0.946 17.991 ( 0.000 -0.758 0.000) 0.758 18.199 ( 0.000 -0.784 0.000) 0.784 18.361 ( 0.000 -3.111 0.000) 3.111 18.498 ( 0.000 -5.721 0.000) 5.721 18.524 ( 0.000 -4.848 0.000) 4.848 18.725 ( 0.000 -2.339 0.000) 2.339 20.662 ( 0.000 -0.185 0.000) 0.185 20.747 ( 0.000 -1.044 0.000) 1.044 20.815 ( 0.000 -0.065 0.000) 0.065 20.900 ( 0.000 -0.979 0.000) 0.979 21.472 ( 0.000 0.758 0.000) 0.758 21.476 ( 0.000 0.424 0.000) 0.424 21.560 ( 0.000 0.941 0.000) 0.941 21.714 ( 0.000 -0.417 0.000) 0.417 27.236 ( 0.000 -0.315 0.000) 0.315 27.251 ( 0.000 -0.118 0.000) 0.118 27.295 ( 0.000 0.773 0.000) 0.773 27.297 ( 0.000 0.080 0.000) 0.080 27.596 ( 0.000 0.741 0.000) 0.741 27.642 ( 0.000 1.014 0.000) 1.014 27.645 ( 0.000 0.052 0.000) 0.052 27.691 ( 0.000 1.763 0.000) 1.763 35.120 ( 0.000 1.510 0.000) 1.510 35.161 ( 0.000 -0.418 0.000) 0.418 35.389 ( 0.000 -1.661 0.000) 1.661 35.555 ( 0.000 0.631 0.000) 0.631 35.746 ( 0.000 2.769 0.000) 2.769 36.104 ( 0.000 3.994 0.000) 3.994 36.249 ( 0.000 -2.768 0.000) 2.768 37.112 ( 0.000 -5.264 0.000) 5.264 39.167 ( 0.000 1.524 0.000) 1.524 39.246 ( 0.000 0.172 0.000) 0.172 39.752 ( 0.000 -8.871 0.000) 8.871 40.178 ( 0.000 6.893 0.000) 6.893 40.420 ( 0.000 12.322 0.000) 12.322 40.550 ( 0.000 -10.244 0.000) 10.244 40.844 ( 0.000 -8.182 0.000) 8.182 41.482 ( 0.000 4.136 0.000) 4.136 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 19.310 18.911 22.203) 34.978 1.113 ( 26.257 22.625 7.760) 35.518 1.771 ( 28.883 42.489 15.263) 53.596 2.350 ( -1.297 0.404 -1.339) 1.907 2.638 ( 1.578 3.761 -0.346) 4.093 2.821 ( -2.234 1.296 3.794) 4.590 3.023 ( -6.894 2.235 -2.986) 7.839 3.093 ( -2.450 2.399 -3.381) 4.815 3.184 ( -9.841 1.520 -5.972) 11.611 3.257 ( 4.868 4.447 -8.632) 10.863 3.381 ( -12.578 3.883 -7.611) 15.205 3.458 ( -6.720 -0.912 4.505) 8.142 3.536 ( 1.531 5.495 -5.171) 7.699 3.628 ( -5.496 4.938 3.753) 8.287 3.709 ( 0.229 0.410 1.739) 1.802 3.777 ( -4.020 1.402 2.943) 5.176 3.862 ( -1.152 -0.043 -0.199) 1.170 3.968 ( 5.927 9.072 0.474) 10.847 4.067 ( 4.506 -0.808 0.759) 4.640 4.125 ( 1.451 -1.037 7.412) 7.623 4.205 ( 0.349 5.013 -1.822) 5.345 4.269 ( 3.611 2.819 2.192) 5.078 4.439 ( 4.158 -3.783 4.529) 7.219 4.478 ( 4.759 -1.113 -0.710) 4.939 4.515 ( 0.522 -1.557 1.053) 1.951 4.663 ( 2.114 1.657 1.619) 3.136 4.752 ( 4.526 1.052 2.911) 5.483 4.815 ( 2.216 0.036 -1.774) 2.839 4.872 ( 0.154 -1.484 -6.405) 6.577 5.010 ( 10.556 0.396 1.976) 10.747 5.174 ( 0.820 -1.875 0.277) 2.065 5.249 ( -0.650 1.948 0.044) 2.054 5.268 ( -8.804 4.116 -9.492) 13.585 5.316 ( -2.236 -5.863 -3.414) 7.144 5.411 ( -8.984 0.082 -0.280) 8.989 5.517 ( -4.650 -4.208 2.041) 6.595 5.582 ( -7.977 -1.402 -1.519) 8.240 5.651 ( 3.461 -3.362 -1.863) 5.172 5.767 ( -3.629 -4.999 0.948) 6.250 5.823 ( -2.781 6.183 -2.275) 7.151 5.888 ( -1.291 -0.592 -5.889) 6.057 5.916 ( -5.697 4.479 3.714) 8.143 5.953 ( -1.018 -1.064 -3.716) 3.997 6.057 ( 2.825 0.972 -4.781) 5.638 6.141 ( -1.873 -3.376 2.392) 4.541 6.182 ( 4.560 -1.023 0.500) 4.700 6.245 ( 2.753 2.009 0.101) 3.410 6.305 ( -5.262 -2.838 0.736) 6.023 6.359 ( -1.394 -1.678 -1.793) 2.824 6.504 ( 2.011 3.543 1.254) 4.262 6.616 ( -4.735 -1.593 4.854) 6.965 6.661 ( -2.108 4.401 1.601) 5.135 6.694 ( 1.297 2.554 2.069) 3.533 6.732 ( 3.056 -0.774 3.816) 4.950 6.829 ( -3.183 1.250 -0.242) 3.428 6.837 ( 2.422 4.662 3.008) 6.054 6.920 ( 3.936 2.125 -1.014) 4.586 6.958 ( -0.910 -3.901 -0.763) 4.078 7.063 ( -3.543 1.886 4.340) 5.911 7.104 ( 1.687 2.968 -4.265) 5.463 7.123 ( 3.109 -1.990 -4.821) 6.072 7.177 ( -0.396 -0.506 -4.349) 4.396 7.224 ( 3.874 -2.330 2.073) 4.973 7.298 ( -1.519 0.056 -0.452) 1.586 7.370 ( 1.593 -2.929 3.075) 4.535 7.419 ( -3.591 4.640 -3.282) 6.722 7.478 ( 3.857 -4.505 5.494) 8.084 7.513 ( 1.322 4.073 0.893) 4.374 7.568 ( 3.881 -0.999 -2.431) 4.687 7.717 ( 1.367 -1.840 4.000) 4.610 7.764 ( -2.749 -1.198 1.981) 3.594 7.838 ( 1.609 2.926 0.816) 3.437 7.875 ( 5.701 0.491 -2.254) 6.150 7.959 ( 4.425 -1.332 -3.360) 5.714 7.985 ( 0.801 1.288 0.686) 1.664 8.006 ( 0.289 3.057 0.940) 3.211 8.084 ( 2.462 -6.476 8.111) 10.667 8.168 ( 6.493 -3.851 3.566) 8.349 8.363 ( -3.848 3.499 -2.388) 5.724 8.406 ( -0.676 1.154 -1.815) 2.255 8.498 ( -1.339 -4.398 -1.199) 4.751 8.571 ( 0.897 -1.193 1.402) 2.048 8.637 ( 0.389 5.285 -4.465) 6.929 8.808 ( 2.496 -6.783 0.885) 7.281 8.866 ( -4.883 -2.727 1.955) 5.925 8.921 ( -8.587 0.176 -0.116) 8.589 8.977 ( -3.966 -1.117 0.829) 4.203 9.121 ( -2.673 8.700 -1.002) 9.156 9.359 ( 1.164 1.315 -0.701) 1.891 9.403 ( -1.794 -3.134 0.055) 3.612 9.484 ( 0.960 0.505 2.200) 2.453 9.735 ( 5.164 -6.257 -0.981) 8.172 10.019 ( -9.792 14.055 -3.242) 17.433 10.183 ( 0.553 2.892 0.675) 3.021 10.326 ( 2.293 -0.455 2.663) 3.543 10.745 ( 2.087 -4.913 -1.535) 5.554 10.835 ( 8.447 -7.141 0.494) 11.072 11.507 ( -1.713 0.838 -0.701) 2.032 11.902 ( -5.524 0.514 8.561) 10.201 12.137 ( -2.323 19.775 -29.261) 35.393 12.374 ( 1.527 -3.426 -2.540) 4.530 12.549 ( 0.174 5.158 -0.507) 5.186 12.844 ( -7.527 -7.734 10.212) 14.858 13.279 ( 0.581 0.693 -1.208) 1.509 15.134 ( -4.860 12.928 -4.318) 14.470 15.691 ( -9.324 -5.474 8.580) 13.802 15.884 ( 0.308 0.818 -1.572) 1.799 15.930 ( -2.948 4.344 0.245) 5.255 16.852 ( -1.950 -2.115 -0.585) 2.936 16.897 ( 0.616 -2.163 -0.189) 2.257 17.076 ( -3.459 2.281 1.208) 4.315 17.254 ( 1.521 -0.839 -0.466) 1.798 17.291 ( 2.214 1.819 0.052) 2.866 17.384 ( 2.793 2.683 0.140) 3.876 17.553 ( -0.576 -2.422 -1.129) 2.733 17.662 ( -1.339 0.476 -0.976) 1.724 17.905 ( 0.636 -0.926 0.033) 1.124 17.934 ( 1.512 -3.378 1.210) 3.894 18.018 ( 1.638 -1.335 0.706) 2.228 18.167 ( -1.765 -0.030 -1.768) 2.499 18.290 ( -4.171 -3.464 -2.174) 5.842 18.520 ( 1.770 -4.368 0.783) 4.778 18.548 ( 1.673 -4.878 1.686) 5.426 18.743 ( 2.184 -4.168 1.641) 4.984 20.683 ( 0.175 -1.965 2.154) 2.921 20.742 ( -0.142 -1.854 -0.612) 1.957 20.822 ( 0.150 0.783 0.661) 1.036 20.889 ( -3.046 1.043 5.168) 6.089 21.457 ( -0.481 0.653 -0.389) 0.899 21.492 ( 0.651 0.470 0.325) 0.866 21.562 ( 0.039 1.031 0.216) 1.054 21.621 ( -3.869 3.780 -0.752) 5.461 27.208 ( -1.693 0.133 -0.250) 1.717 27.272 ( 1.275 -0.436 -0.337) 1.389 27.296 ( 0.787 0.320 -0.508) 0.990 27.332 ( 0.148 -1.582 1.849) 2.438 27.596 ( 0.149 0.657 -0.102) 0.682 27.631 ( -0.171 0.141 -1.111) 1.133 27.651 ( -0.013 0.974 0.676) 1.186 27.692 ( -0.245 1.661 0.017) 1.680 35.047 ( 0.935 0.493 -1.564) 1.887 35.391 ( -0.834 -3.051 1.287) 3.415 35.563 ( 1.644 1.529 -0.693) 2.350 35.630 ( 22.591 -10.694 -13.132) 28.235 35.815 ( 2.300 -6.269 14.694) 16.140 36.097 ( -0.863 3.690 0.561) 3.831 36.234 ( -1.955 -4.046 1.482) 4.731 36.958 ( -8.093 6.065 -4.657) 11.134 39.130 ( -1.155 1.583 -2.753) 3.379 39.280 ( 1.300 0.140 2.010) 2.398 39.746 ( 1.034 -4.101 2.056) 4.702 40.059 ( -2.422 4.212 1.094) 4.980 40.294 ( -3.556 6.282 -5.014) 8.789 40.781 ( 5.694 -13.888 -0.554) 15.020 40.867 ( 5.878 -3.125 -6.169) 9.076 41.452 ( -1.856 5.694 -1.787) 6.250 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 20.837 14.255 14.187) 28.960 1.658 ( 18.818 15.742 8.632) 26.008 2.165 ( -10.225 2.641 -5.096) 11.726 2.323 ( 4.506 0.056 0.070) 4.507 2.626 ( -3.701 9.212 6.806) 12.037 2.751 ( -6.617 6.253 -8.598) 12.522 2.910 ( 0.154 -1.031 7.309) 7.383 2.976 ( 1.076 0.096 -6.464) 6.554 3.130 ( 1.429 18.398 4.189) 18.923 3.198 ( -0.134 2.117 -4.194) 4.700 3.301 ( 3.065 3.886 -0.264) 4.956 3.404 ( -1.357 8.725 0.258) 8.834 3.490 ( 3.990 -0.462 -6.758) 7.862 3.586 ( -4.402 5.471 4.289) 8.228 3.665 ( -5.148 -1.478 -1.818) 5.656 3.759 ( -0.617 -3.263 0.479) 3.356 3.858 ( -0.281 0.246 2.367) 2.396 3.986 ( 1.677 0.389 -2.663) 3.171 4.073 ( -3.614 -0.879 1.035) 3.861 4.193 ( 3.069 4.944 3.407) 6.743 4.269 ( -0.151 6.469 -1.636) 6.674 4.335 ( 0.545 6.616 3.795) 7.647 4.434 ( -0.122 2.109 -4.437) 4.914 4.575 ( 4.157 -4.904 5.084) 8.197 4.691 ( 4.740 -1.604 3.755) 6.256 4.732 ( 2.694 -0.221 0.075) 2.705 4.800 ( -0.176 -2.787 0.114) 2.795 4.842 ( 2.723 2.164 0.994) 3.618 4.906 ( 5.914 -3.079 -1.867) 6.924 5.022 ( -4.179 2.804 -3.627) 6.203 5.109 ( -2.767 -1.460 -3.558) 4.737 5.141 ( -4.981 0.926 -6.377) 8.145 5.190 ( -10.668 0.928 -1.033) 10.758 5.302 ( 6.784 -1.067 3.096) 7.533 5.319 ( 1.343 6.675 -1.281) 6.928 5.417 ( -1.097 -0.315 1.236) 1.682 5.496 ( -2.325 -1.160 2.653) 3.714 5.591 ( -6.340 -1.210 -0.162) 6.456 5.648 ( -1.181 -0.546 -3.458) 3.695 5.787 ( -0.599 2.850 -3.115) 4.264 5.826 ( 0.487 -3.274 0.366) 3.330 5.904 ( -3.080 -1.757 2.071) 4.106 5.963 ( 0.730 -6.811 -1.498) 7.012 6.079 ( 2.833 -8.869 -0.400) 9.320 6.116 ( 2.854 -0.075 -3.576) 4.576 6.187 ( -4.852 -0.903 2.878) 5.713 6.231 ( -0.149 -2.345 -4.361) 4.954 6.270 ( -0.976 2.155 0.788) 2.494 6.354 ( 1.208 2.796 1.559) 3.422 6.520 ( -6.418 -3.647 1.312) 7.497 6.559 ( 2.370 6.233 -0.691) 6.704 6.620 ( -2.622 6.932 2.814) 7.928 6.745 ( 0.848 2.593 1.179) 2.972 6.789 ( -0.947 -1.338 2.399) 2.905 6.824 ( 1.596 8.973 -1.789) 9.288 6.901 ( 0.820 -3.465 0.654) 3.620 6.944 ( 1.517 -0.986 3.736) 4.151 6.998 ( 2.670 -2.163 -2.162) 4.060 7.068 ( 0.377 1.433 3.197) 3.524 7.085 ( 0.265 2.806 -0.176) 2.824 7.137 ( -1.500 -0.118 -3.078) 3.427 7.159 ( 2.029 -2.197 -1.913) 3.550 7.271 ( -0.887 1.100 -0.502) 1.500 7.297 ( 2.141 2.607 -1.534) 3.706 7.415 ( 5.067 2.346 1.362) 5.747 7.433 ( 1.638 -1.449 1.673) 2.753 7.498 ( 0.501 2.696 1.644) 3.197 7.563 ( -0.271 0.225 0.494) 0.607 7.624 ( -1.668 -1.513 1.027) 2.475 7.662 ( -1.412 -4.561 -0.362) 4.788 7.752 ( -4.223 -3.123 -3.425) 6.271 7.832 ( -0.878 0.980 -0.985) 1.644 7.908 ( -0.391 6.595 3.747) 7.595 8.025 ( 6.055 -0.230 3.330) 6.914 8.097 ( 7.002 2.232 -0.325) 7.357 8.118 ( 8.102 0.581 -1.510) 8.262 8.178 ( 0.146 -4.131 2.691) 4.932 8.270 ( -2.220 -0.045 1.345) 2.596 8.312 ( 2.233 -5.138 0.570) 5.631 8.393 ( -1.809 -2.710 -0.790) 3.353 8.462 ( -1.971 1.053 -4.713) 5.216 8.478 ( -1.521 -3.059 1.756) 3.841 8.664 ( -0.165 -2.711 -0.798) 2.831 8.700 ( -7.574 -1.573 -3.325) 8.420 8.778 ( -3.588 7.308 3.203) 8.749 8.866 ( -1.060 2.388 -1.357) 2.944 8.941 ( 0.557 -6.660 1.941) 6.960 9.086 ( -0.578 9.751 -0.047) 9.769 9.315 ( -1.724 -3.646 -1.891) 4.454 9.386 ( -0.637 -1.872 -0.018) 1.977 9.523 ( 0.235 3.681 1.905) 4.151 9.782 ( 1.041 -2.020 -1.489) 2.717 9.905 ( -1.046 8.370 -0.954) 8.489 10.258 ( 3.261 -2.837 2.418) 4.953 10.381 ( 0.814 -1.854 0.447) 2.073 10.738 ( -0.332 -1.854 -0.310) 1.909 10.938 ( 2.583 -10.188 -0.680) 10.532 11.473 ( -0.959 0.957 -0.177) 1.366 11.883 ( -10.361 12.107 18.248) 24.226 11.930 ( 8.563 9.511 -25.563) 28.587 12.382 ( 0.561 -3.991 -0.585) 4.073 12.550 ( 0.262 5.039 -0.304) 5.055 12.801 ( -3.283 -7.367 3.195) 8.675 13.275 ( 0.084 1.448 -0.569) 1.558 15.042 ( -2.173 16.365 -0.565) 16.519 15.620 ( -3.436 -7.875 2.464) 8.938 15.874 ( -0.035 0.262 -0.499) 0.565 15.909 ( -0.158 1.245 -0.257) 1.281 16.814 ( -1.025 -2.343 -0.480) 2.603 16.907 ( 0.295 -2.505 0.109) 2.525 17.031 ( -1.667 4.402 0.401) 4.724 17.273 ( 0.516 -1.530 0.197) 1.627 17.345 ( 2.693 1.872 -0.557) 3.326 17.448 ( 2.885 0.369 0.930) 3.053 17.510 ( -2.830 -1.062 -0.422) 3.052 17.625 ( -1.133 0.120 -0.477) 1.235 17.921 ( 0.878 -0.528 0.010) 1.025 17.944 ( -0.663 -1.901 -0.035) 2.014 18.064 ( 1.925 -0.872 1.436) 2.555 18.117 ( -1.348 -0.790 -1.945) 2.495 18.213 ( -2.074 -4.210 -0.518) 4.722 18.559 ( 1.227 -5.459 0.315) 5.604 18.594 ( 1.001 -5.402 1.012) 5.587 18.802 ( 1.579 -5.138 0.869) 5.445 20.702 ( 0.011 -1.887 1.181) 2.226 20.732 ( -0.078 -2.934 -0.675) 3.012 20.830 ( -0.009 1.515 0.549) 1.612 20.890 ( -0.834 1.356 1.906) 2.483 21.449 ( -0.149 0.698 -0.160) 0.731 21.503 ( 0.236 0.490 0.134) 0.560 21.562 ( -0.209 2.220 0.046) 2.230 21.582 ( -0.545 1.311 -0.042) 1.420 27.180 ( -0.756 0.453 -0.186) 0.900 27.286 ( 0.473 -0.540 -0.187) 0.741 27.308 ( 0.816 0.329 -0.490) 1.007 27.336 ( -0.681 -1.405 0.901) 1.802 27.599 ( 0.150 0.541 -0.067) 0.565 27.619 ( -0.182 -0.272 -0.422) 0.534 27.657 ( 0.080 1.377 0.357) 1.425 27.684 ( -0.354 1.932 -0.125) 1.968 35.063 ( 1.442 1.057 -0.963) 2.030 35.380 ( -1.009 -4.839 0.654) 4.987 35.584 ( 0.892 3.220 -0.185) 3.347 35.730 ( 3.394 1.201 -4.172) 5.511 35.998 ( 3.359 -7.684 3.244) 8.992 36.087 ( -0.398 3.295 0.187) 3.324 36.215 ( -1.453 -11.388 1.141) 11.537 36.823 ( -2.481 9.433 -1.739) 9.908 39.092 ( -0.482 1.738 -1.214) 2.174 39.313 ( 0.512 0.001 0.859) 1.000 39.847 ( 3.938 -6.755 4.583) 9.064 40.073 ( 0.291 1.458 0.263) 1.510 40.168 ( -2.807 1.241 -4.731) 5.640 40.810 ( -1.495 -8.442 2.830) 9.028 40.905 ( 3.719 -3.295 -5.346) 7.299 41.401 ( -1.224 8.065 -1.057) 8.225 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 31.105 0.000) 31.105 1.424 ( 0.000 33.640 0.000) 33.640 2.250 ( 0.000 11.866 0.000) 11.866 2.576 ( 0.000 -0.227 0.000) 0.227 2.680 ( 0.000 38.436 0.000) 38.436 2.944 ( 0.000 4.895 0.000) 4.895 3.153 ( 0.000 3.939 0.000) 3.939 3.235 ( 0.000 6.090 0.000) 6.090 3.312 ( 0.000 5.183 0.000) 5.183 3.388 ( 0.000 0.794 0.000) 0.794 3.438 ( 0.000 -2.943 0.000) 2.943 3.529 ( 0.000 -1.700 0.000) 1.700 3.752 ( 0.000 5.360 0.000) 5.360 3.754 ( 0.000 -5.852 0.000) 5.852 3.774 ( 0.000 -5.083 0.000) 5.083 3.847 ( 0.000 10.208 0.000) 10.208 3.905 ( 0.000 1.046 0.000) 1.046 3.912 ( 0.000 6.862 0.000) 6.862 4.005 ( 0.000 3.901 0.000) 3.901 4.145 ( 0.000 2.692 0.000) 2.692 4.240 ( 0.000 3.217 0.000) 3.217 4.245 ( 0.000 4.306 0.000) 4.306 4.392 ( 0.000 1.524 0.000) 1.524 4.424 ( 0.000 0.183 0.000) 0.183 4.522 ( 0.000 -3.624 0.000) 3.624 4.697 ( 0.000 4.681 0.000) 4.681 4.716 ( 0.000 -0.002 0.000) 0.002 4.764 ( 0.000 1.553 0.000) 1.553 4.785 ( 0.000 0.710 0.000) 0.710 4.970 ( 0.000 -3.254 0.000) 3.254 5.102 ( 0.000 -3.745 0.000) 3.745 5.201 ( 0.000 -6.739 0.000) 6.739 5.337 ( 0.000 -4.109 0.000) 4.109 5.361 ( 0.000 5.532 0.000) 5.532 5.438 ( 0.000 0.008 0.000) 0.008 5.489 ( 0.000 -4.247 0.000) 4.247 5.589 ( 0.000 0.092 0.000) 0.092 5.666 ( 0.000 -0.545 0.000) 0.545 5.878 ( 0.000 4.604 0.000) 4.604 5.888 ( 0.000 -2.144 0.000) 2.144 5.899 ( 0.000 -2.838 0.000) 2.838 5.984 ( 0.000 5.211 0.000) 5.211 6.016 ( 0.000 -2.409 0.000) 2.409 6.071 ( 0.000 1.218 0.000) 1.218 6.084 ( 0.000 -8.885 0.000) 8.885 6.133 ( 0.000 -10.341 0.000) 10.341 6.186 ( 0.000 3.370 0.000) 3.370 6.356 ( 0.000 9.081 0.000) 9.081 6.518 ( 0.000 5.199 0.000) 5.199 6.529 ( 0.000 -3.161 0.000) 3.161 6.565 ( 0.000 8.430 0.000) 8.430 6.588 ( 0.000 -5.059 0.000) 5.059 6.732 ( 0.000 -10.012 0.000) 10.012 6.737 ( 0.000 4.204 0.000) 4.204 6.779 ( 0.000 -0.759 0.000) 0.759 6.891 ( 0.000 8.506 0.000) 8.506 6.935 ( 0.000 -6.418 0.000) 6.418 6.965 ( 0.000 0.597 0.000) 0.597 7.012 ( 0.000 1.068 0.000) 1.068 7.108 ( 0.000 -1.845 0.000) 1.845 7.154 ( 0.000 5.161 0.000) 5.161 7.191 ( 0.000 -6.641 0.000) 6.641 7.240 ( 0.000 8.450 0.000) 8.450 7.252 ( 0.000 -1.799 0.000) 1.799 7.343 ( 0.000 5.428 0.000) 5.428 7.360 ( 0.000 -5.553 0.000) 5.553 7.432 ( 0.000 -0.263 0.000) 0.263 7.531 ( 0.000 2.419 0.000) 2.419 7.575 ( 0.000 -1.694 0.000) 1.694 7.711 ( 0.000 5.151 0.000) 5.151 7.753 ( 0.000 -6.373 0.000) 6.373 7.819 ( 0.000 4.303 0.000) 4.303 7.829 ( 0.000 -2.083 0.000) 2.083 7.911 ( 0.000 -2.017 0.000) 2.017 7.966 ( 0.000 -0.384 0.000) 0.384 7.978 ( 0.000 -0.290 0.000) 0.290 8.002 ( 0.000 -1.754 0.000) 1.754 8.068 ( 0.000 5.345 0.000) 5.345 8.370 ( 0.000 -7.968 0.000) 7.968 8.391 ( 0.000 -7.304 0.000) 7.304 8.413 ( 0.000 -4.481 0.000) 4.481 8.549 ( 0.000 3.151 0.000) 3.151 8.650 ( 0.000 0.414 0.000) 0.414 8.825 ( 0.000 6.635 0.000) 6.635 8.862 ( 0.000 -1.391 0.000) 1.391 8.978 ( 0.000 -3.996 0.000) 3.996 9.065 ( 0.000 4.970 0.000) 4.970 9.285 ( 0.000 2.544 0.000) 2.544 9.312 ( 0.000 -2.875 0.000) 2.875 9.383 ( 0.000 -1.350 0.000) 1.350 9.470 ( 0.000 3.852 0.000) 3.852 9.629 ( 0.000 1.047 0.000) 1.047 10.203 ( 0.000 -2.944 0.000) 2.944 10.277 ( 0.000 4.553 0.000) 4.553 10.468 ( 0.000 2.622 0.000) 2.622 10.534 ( 0.000 -1.679 0.000) 1.679 10.816 ( 0.000 5.715 0.000) 5.715 11.528 ( 0.000 -1.747 0.000) 1.747 11.904 ( 0.000 0.667 0.000) 0.667 12.255 ( 0.000 -4.401 0.000) 4.401 12.478 ( 0.000 -0.181 0.000) 0.181 12.670 ( 0.000 6.517 0.000) 6.517 12.758 ( 0.000 -5.982 0.000) 5.982 13.252 ( 0.000 -2.880 0.000) 2.880 15.227 ( 0.000 -0.196 0.000) 0.196 15.617 ( 0.000 -6.943 0.000) 6.943 15.922 ( 0.000 2.356 0.000) 2.356 16.106 ( 0.000 2.527 0.000) 2.527 16.854 ( 0.000 -1.196 0.000) 1.196 16.856 ( 0.000 -1.076 0.000) 1.076 17.106 ( 0.000 0.966 0.000) 0.966 17.274 ( 0.000 1.325 0.000) 1.325 17.291 ( 0.000 0.917 0.000) 0.917 17.459 ( 0.000 3.938 0.000) 3.938 17.467 ( 0.000 -4.110 0.000) 4.110 17.676 ( 0.000 -2.194 0.000) 2.194 17.869 ( 0.000 0.600 0.000) 0.600 17.869 ( 0.000 -2.066 0.000) 2.066 17.946 ( 0.000 -3.660 0.000) 3.660 18.173 ( 0.000 -2.025 0.000) 2.025 18.294 ( 0.000 -3.093 0.000) 3.093 18.358 ( 0.000 -7.123 0.000) 7.123 18.434 ( 0.000 -3.038 0.000) 3.038 18.659 ( 0.000 -4.099 0.000) 4.099 20.662 ( 0.000 0.152 0.000) 0.152 20.721 ( 0.000 -1.401 0.000) 1.401 20.808 ( 0.000 -0.615 0.000) 0.615 20.872 ( 0.000 -1.725 0.000) 1.725 21.487 ( 0.000 0.651 0.000) 0.651 21.491 ( 0.000 0.929 0.000) 0.929 21.585 ( 0.000 1.450 0.000) 1.450 21.700 ( 0.000 -0.895 0.000) 0.895 27.230 ( 0.000 -0.188 0.000) 0.188 27.248 ( 0.000 -0.230 0.000) 0.230 27.300 ( 0.000 0.209 0.000) 0.209 27.311 ( 0.000 0.701 0.000) 0.701 27.616 ( 0.000 1.260 0.000) 1.260 27.653 ( 0.000 0.594 0.000) 0.594 27.670 ( 0.000 1.639 0.000) 1.639 27.725 ( 0.000 1.365 0.000) 1.365 35.151 ( 0.000 -0.443 0.000) 0.443 35.155 ( 0.000 1.463 0.000) 1.463 35.371 ( 0.000 0.546 0.000) 0.546 35.569 ( 0.000 0.577 0.000) 0.577 35.803 ( 0.000 2.643 0.000) 2.643 36.162 ( 0.000 -5.790 0.000) 5.790 36.220 ( 0.000 7.449 0.000) 7.449 36.973 ( 0.000 -8.129 0.000) 8.129 39.206 ( 0.000 2.154 0.000) 2.154 39.251 ( 0.000 0.401 0.000) 0.401 39.620 ( 0.000 -4.194 0.000) 4.194 40.237 ( 0.000 -18.187 0.000) 18.187 40.298 ( 0.000 5.884 0.000) 5.884 40.719 ( 0.000 15.787 0.000) 15.787 40.735 ( 0.000 -3.873 0.000) 3.873 41.515 ( 0.000 -1.180 0.000) 1.180 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 8.858 23.062 13.998) 28.394 1.609 ( 14.635 25.732 3.977) 29.869 2.288 ( 3.178 4.065 -0.560) 5.190 2.656 ( 5.133 0.808 3.024) 6.012 2.784 ( 3.504 29.612 7.053) 30.641 2.912 ( -4.248 16.268 -2.628) 17.017 3.096 ( -1.537 5.543 -9.029) 10.706 3.181 ( -2.504 0.699 2.970) 3.947 3.213 ( -6.234 1.817 -6.729) 9.351 3.330 ( -7.904 -3.790 2.335) 9.072 3.368 ( 3.131 7.297 -5.981) 9.940 3.494 ( -3.046 4.314 0.604) 5.315 3.695 ( -1.099 7.262 0.106) 7.345 3.711 ( -3.630 -0.596 -2.630) 4.522 3.750 ( -0.934 4.895 5.224) 7.220 3.821 ( -0.747 -2.574 -0.848) 2.811 3.884 ( -3.968 8.647 0.118) 9.514 4.005 ( -2.166 -2.740 1.276) 3.718 4.096 ( -3.265 -0.766 4.246) 5.411 4.149 ( 8.878 5.802 1.854) 10.766 4.310 ( 2.685 2.619 4.198) 5.629 4.326 ( 9.200 2.411 2.199) 9.762 4.379 ( 2.984 0.229 -2.549) 3.931 4.484 ( 0.463 -0.074 -1.152) 1.244 4.487 ( 2.132 0.105 0.833) 2.292 4.686 ( 0.804 1.627 2.924) 3.441 4.771 ( -0.354 -2.428 -2.873) 3.778 4.796 ( 3.307 3.280 5.176) 6.963 4.877 ( 3.214 0.422 -1.948) 3.782 4.980 ( 5.819 -3.234 3.095) 7.341 5.101 ( -0.701 -4.168 1.061) 4.357 5.182 ( 0.570 -4.683 -3.869) 6.101 5.308 ( -4.165 1.033 -8.432) 9.461 5.366 ( 0.759 3.334 0.055) 3.420 5.440 ( -1.471 0.185 2.443) 2.858 5.486 ( -2.051 2.932 0.871) 3.682 5.567 ( 3.623 -4.123 -0.051) 5.489 5.603 ( -1.683 1.119 -3.849) 4.347 5.688 ( -7.383 0.291 -0.174) 7.391 5.863 ( -6.894 -1.205 -5.138) 8.682 5.898 ( -6.391 -2.438 -2.593) 7.315 5.922 ( -2.365 -1.357 -2.383) 3.622 5.986 ( -3.776 -4.836 -5.553) 8.275 6.043 ( -2.208 3.909 4.549) 6.391 6.105 ( 2.195 -1.086 -1.634) 2.944 6.149 ( 0.685 0.457 -2.886) 3.001 6.229 ( 1.551 -1.253 1.380) 2.425 6.273 ( -1.399 3.304 0.332) 3.604 6.440 ( -0.664 5.714 -0.665) 5.790 6.543 ( -3.205 -3.577 0.586) 4.839 6.576 ( 1.268 1.438 0.848) 2.096 6.686 ( 0.491 1.354 11.287) 11.378 6.698 ( 0.043 -3.542 1.800) 3.974 6.749 ( 0.122 -2.633 0.113) 2.638 6.844 ( -4.152 -0.436 -0.087) 4.176 6.871 ( 2.752 0.670 0.714) 2.921 6.924 ( -0.176 4.188 0.210) 4.197 6.993 ( 3.483 -1.494 -2.578) 4.584 7.036 ( 1.694 -2.154 -2.826) 3.937 7.128 ( 5.756 -1.517 -0.866) 6.015 7.134 ( -1.970 1.704 2.140) 3.372 7.177 ( -0.376 4.255 4.467) 6.181 7.234 ( 0.659 0.585 -5.622) 5.691 7.293 ( 0.267 0.617 1.634) 1.767 7.337 ( 0.635 -1.252 -0.580) 1.519 7.414 ( 0.079 -0.078 2.353) 2.355 7.466 ( 3.708 1.726 1.529) 4.367 7.513 ( 1.730 -1.021 -0.526) 2.076 7.596 ( 0.067 -0.362 -0.921) 0.992 7.705 ( -0.611 2.910 -0.410) 3.001 7.761 ( -1.250 -1.046 2.207) 2.743 7.872 ( 3.117 -1.270 -1.648) 3.747 7.899 ( 5.844 -5.002 3.070) 8.283 7.901 ( -0.484 -0.576 0.114) 0.761 7.966 ( 6.954 3.594 -0.310) 7.834 8.031 ( 2.074 -2.335 2.700) 4.128 8.092 ( 0.281 4.372 5.207) 6.805 8.124 ( 4.165 -0.680 3.150) 5.266 8.329 ( -3.908 -3.812 -1.497) 5.661 8.395 ( 2.700 -4.722 -3.571) 6.507 8.422 ( -0.060 -3.803 -1.347) 4.035 8.506 ( -0.163 -0.480 -1.579) 1.658 8.658 ( 2.101 -4.732 0.061) 5.178 8.748 ( -3.527 3.727 -4.781) 7.013 8.886 ( -3.965 2.323 7.449) 8.752 8.899 ( -5.203 -1.305 -4.775) 7.182 9.012 ( -3.840 3.690 -0.121) 5.327 9.248 ( -2.863 0.697 -0.468) 2.984 9.336 ( -2.480 -0.845 0.768) 2.730 9.428 ( 4.596 4.909 -0.393) 6.736 9.489 ( 1.145 0.145 3.747) 3.921 9.656 ( 2.739 -0.996 -0.049) 2.915 10.191 ( -1.967 -1.080 -0.008) 2.244 10.267 ( -4.940 9.529 -2.955) 11.133 10.314 ( -0.188 -0.906 -2.324) 2.502 10.639 ( 2.870 -4.469 2.009) 5.679 10.841 ( 2.044 4.680 0.354) 5.120 11.509 ( -1.205 -1.451 -0.948) 2.111 11.900 ( -1.666 0.659 2.738) 3.272 12.263 ( 0.302 -3.324 0.501) 3.376 12.386 ( -0.342 3.647 -15.710) 16.131 12.658 ( -1.866 3.148 -0.021) 3.659 12.696 ( -6.190 -4.023 5.905) 9.453 13.264 ( 1.204 -2.751 -0.818) 3.113 15.252 ( 1.981 1.300 0.551) 2.432 15.571 ( -5.589 -5.919 1.669) 8.310 15.911 ( -0.235 2.018 -1.611) 2.593 16.044 ( -3.994 4.942 -1.875) 6.625 16.820 ( -2.284 -0.931 -0.268) 2.480 16.856 ( 0.173 -1.647 -0.907) 1.888 17.117 ( -0.412 2.060 2.017) 2.913 17.255 ( -0.143 0.805 -1.096) 1.367 17.325 ( 2.163 1.196 0.495) 2.521 17.427 ( -0.313 0.811 0.024) 0.869 17.493 ( 0.961 -2.483 -1.363) 2.991 17.658 ( -2.028 -1.524 0.319) 2.556 17.882 ( 1.197 -1.402 -0.273) 1.863 17.892 ( 1.523 -0.544 0.814) 1.811 17.959 ( 1.757 -4.165 -0.404) 4.539 18.151 ( -2.348 -2.009 -0.116) 3.092 18.215 ( -3.877 -2.740 -2.178) 5.224 18.416 ( 2.228 -6.069 1.833) 6.720 18.456 ( 1.283 -2.899 0.819) 3.275 18.652 ( 0.252 -4.637 0.550) 4.676 20.666 ( 0.297 -0.121 0.239) 0.400 20.709 ( -0.579 -1.348 -0.649) 1.604 20.823 ( 0.840 -0.611 0.590) 1.195 20.877 ( -0.802 -1.628 2.298) 2.928 21.477 ( -0.421 1.141 -0.093) 1.220 21.504 ( 0.569 0.568 0.295) 0.857 21.587 ( 0.113 1.370 0.177) 1.386 21.663 ( -2.688 0.703 -0.431) 2.812 27.212 ( -1.176 0.324 -0.158) 1.230 27.261 ( 0.914 -0.590 -0.235) 1.113 27.300 ( 0.342 0.093 -0.277) 0.450 27.319 ( 0.042 0.031 0.620) 0.622 27.615 ( -0.012 1.137 -0.170) 1.150 27.639 ( -0.742 0.670 -0.473) 1.106 27.680 ( 0.367 1.614 0.556) 1.746 27.724 ( -0.126 1.392 0.075) 1.400 35.067 ( 0.401 1.527 -1.064) 1.904 35.334 ( -0.403 -3.229 0.205) 3.260 35.464 ( 16.281 -2.809 -0.743) 16.538 35.600 ( 3.217 1.267 -0.513) 3.495 35.817 ( -0.411 1.824 3.573) 4.032 36.131 ( -3.665 -6.128 0.582) 7.164 36.210 ( -1.378 7.222 0.844) 7.401 36.939 ( -2.155 -5.380 -1.389) 5.960 39.172 ( -0.927 2.475 -2.445) 3.600 39.283 ( 1.289 0.099 1.396) 1.902 39.627 ( 1.044 -5.031 0.589) 5.172 40.041 ( -7.747 -8.064 -2.424) 11.442 40.458 ( 2.214 3.740 -0.236) 4.352 40.604 ( -0.995 1.658 1.308) 2.335 40.852 ( 4.850 2.477 -1.772) 5.726 41.501 ( -0.928 -0.884 -0.581) 1.407 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.195 2.072 7.773) 10.792 1.945 ( 12.279 16.982 5.754) 21.732 2.365 ( 5.619 6.638 0.173) 8.698 2.633 ( -10.995 24.375 -9.378) 28.337 2.696 ( -6.223 -3.221 1.516) 7.169 2.856 ( 1.338 11.000 3.943) 11.761 3.004 ( -5.849 9.720 -3.620) 11.908 3.092 ( 2.584 8.344 -3.978) 9.598 3.171 ( -5.581 -4.323 1.633) 7.246 3.275 ( 2.110 -0.487 3.835) 4.404 3.440 ( 9.023 6.122 -6.548) 12.719 3.503 ( -4.780 7.181 7.489) 11.423 3.636 ( -0.288 -2.025 -3.316) 3.896 3.697 ( -0.977 12.217 -2.655) 12.541 3.789 ( 2.172 9.755 1.825) 10.159 3.800 ( -1.900 -1.264 2.358) 3.282 3.816 ( 0.802 7.477 1.769) 7.725 3.983 ( 1.493 2.195 -2.504) 3.649 4.033 ( -4.436 -2.744 2.792) 5.916 4.300 ( 0.822 4.871 -0.941) 5.028 4.373 ( 2.491 -2.750 4.298) 5.679 4.412 ( 0.472 3.025 1.822) 3.563 4.477 ( 4.505 -0.074 -3.157) 5.501 4.511 ( 2.282 1.965 4.159) 5.134 4.667 ( 6.724 -0.493 4.610) 8.167 4.725 ( -0.936 -4.747 -1.930) 5.210 4.740 ( 3.108 2.287 1.511) 4.144 4.870 ( 3.682 0.608 0.580) 3.777 4.917 ( 1.663 4.589 1.314) 5.055 5.041 ( -3.845 -2.226 -4.808) 6.546 5.083 ( -1.105 0.070 -4.598) 4.730 5.133 ( -0.500 -0.053 -1.421) 1.508 5.261 ( 4.867 -0.585 3.101) 5.801 5.317 ( -11.798 5.340 -2.398) 13.171 5.362 ( -1.226 -2.174 -2.040) 3.224 5.447 ( -3.326 2.138 -1.638) 4.279 5.522 ( -0.196 2.673 4.005) 4.819 5.588 ( -3.301 3.183 0.959) 4.685 5.655 ( 1.675 -0.773 -2.602) 3.190 5.759 ( 2.795 -2.028 -4.025) 5.303 5.797 ( -2.205 -1.320 -1.646) 3.052 5.824 ( -1.511 -5.762 0.344) 5.967 5.858 ( -0.658 -2.918 -2.320) 3.786 5.997 ( -7.818 2.460 -0.319) 8.202 6.098 ( -0.763 -0.901 1.196) 1.681 6.156 ( 1.987 -1.066 -0.881) 2.420 6.239 ( 5.439 0.879 -2.215) 5.938 6.306 ( -2.035 4.147 1.352) 4.813 6.427 ( -4.506 -1.599 0.977) 4.880 6.476 ( -0.879 4.076 -1.439) 4.411 6.619 ( 2.367 -2.508 0.818) 3.544 6.693 ( -1.810 -4.369 2.840) 5.516 6.765 ( 0.026 4.159 3.324) 5.324 6.791 ( 1.353 -0.632 0.179) 1.504 6.840 ( 1.159 -2.657 1.906) 3.469 6.897 ( -0.505 3.402 4.363) 5.555 6.954 ( 2.748 -1.922 -0.452) 3.384 6.986 ( -0.296 -7.034 -4.299) 8.249 7.020 ( 0.821 2.037 -3.386) 4.036 7.096 ( -1.351 0.936 1.386) 2.150 7.170 ( -0.822 0.918 -3.852) 4.044 7.179 ( -1.767 4.287 1.015) 4.747 7.291 ( 1.730 -0.558 1.094) 2.122 7.332 ( 1.211 -0.415 2.549) 2.852 7.378 ( 3.998 0.030 0.569) 4.038 7.430 ( 1.657 -1.176 0.576) 2.112 7.517 ( 2.351 0.746 1.775) 3.039 7.561 ( 2.473 -0.520 -1.659) 3.023 7.604 ( 0.664 0.366 0.856) 1.144 7.678 ( 0.014 2.653 -3.327) 4.255 7.713 ( -6.886 0.808 1.075) 7.017 7.845 ( -1.402 -1.471 -0.136) 2.036 7.967 ( 3.768 -1.744 2.282) 4.737 8.021 ( 2.464 -1.854 0.204) 3.091 8.071 ( 2.798 -3.342 0.388) 4.376 8.142 ( 1.484 2.122 5.747) 6.303 8.171 ( 4.201 -1.155 -0.800) 4.429 8.188 ( 2.084 -0.117 4.324) 4.801 8.303 ( 2.229 -1.804 -1.386) 3.185 8.345 ( -2.153 -2.747 -3.539) 4.970 8.410 ( 3.177 -0.082 -4.050) 5.148 8.501 ( -2.853 1.205 2.343) 3.884 8.603 ( -6.586 -0.788 -0.352) 6.642 8.708 ( -4.881 1.390 -6.263) 8.061 8.751 ( 2.362 -4.323 1.049) 5.036 8.929 ( 2.401 2.898 4.415) 5.801 8.944 ( -1.739 3.990 0.455) 4.376 9.134 ( -6.084 -2.684 -3.685) 7.603 9.336 ( -0.452 1.198 3.677) 3.893 9.418 ( -0.455 7.623 -3.382) 8.352 9.577 ( 1.311 1.446 2.915) 3.508 9.713 ( 2.258 -4.336 0.142) 4.891 10.084 ( -2.975 6.049 -2.707) 7.265 10.239 ( 0.639 3.088 1.219) 3.381 10.320 ( 0.297 -3.822 -0.966) 3.953 10.684 ( 0.712 -3.353 1.014) 3.575 10.875 ( 1.003 2.247 -0.222) 2.470 11.479 ( -0.816 -1.244 -0.492) 1.567 11.901 ( -1.125 0.678 2.728) 3.028 12.212 ( -1.025 9.007 -7.774) 11.942 12.294 ( 0.581 -4.814 -0.917) 4.934 12.624 ( -1.554 -7.727 1.373) 8.001 12.670 ( -1.311 5.308 1.269) 5.613 13.274 ( 0.486 -2.307 -0.466) 2.403 15.302 ( 2.392 6.093 0.523) 6.567 15.463 ( -5.361 -5.862 0.301) 7.949 15.891 ( -0.228 1.588 -0.981) 1.881 15.974 ( -1.406 4.900 -0.800) 5.160 16.781 ( -1.033 -0.859 -0.371) 1.394 16.853 ( 0.070 -2.422 -0.140) 2.427 17.117 ( -0.820 4.021 0.890) 4.199 17.252 ( 0.216 -0.243 -0.181) 0.372 17.378 ( 3.091 1.177 -0.737) 3.389 17.437 ( -0.060 -1.702 0.882) 1.918 17.482 ( -0.654 -1.560 -0.448) 1.750 17.620 ( -1.545 -0.893 0.114) 1.788 17.899 ( 0.562 -1.037 0.085) 1.183 17.915 ( 0.294 -1.388 -0.062) 1.420 18.009 ( 3.859 -4.183 -0.707) 5.735 18.082 ( -4.339 -3.627 0.334) 5.665 18.151 ( -1.190 0.172 -0.766) 1.425 18.461 ( 1.084 -6.396 0.809) 6.537 18.479 ( 0.383 -2.869 0.189) 2.900 18.680 ( 1.007 -6.232 0.785) 6.362 20.677 ( 0.406 -0.607 0.488) 0.878 20.692 ( -0.486 -1.180 -0.600) 1.410 20.840 ( 0.431 -0.447 0.242) 0.667 20.883 ( -0.454 -1.600 1.202) 2.052 21.471 ( -0.140 1.414 -0.005) 1.421 21.514 ( 0.242 0.486 0.132) 0.559 21.594 ( 0.428 1.200 0.226) 1.294 21.618 ( -1.458 1.635 -0.264) 2.206 27.193 ( -0.532 0.797 -0.113) 0.965 27.272 ( 0.389 -0.812 -0.145) 0.912 27.307 ( 0.607 -0.524 -0.346) 0.873 27.319 ( -0.513 -0.066 0.507) 0.724 27.614 ( 0.124 0.947 -0.149) 0.967 27.623 ( -0.479 0.614 -0.139) 0.791 27.690 ( 0.170 1.686 0.299) 1.721 27.721 ( -0.152 1.615 -0.040) 1.623 35.095 ( 2.269 2.093 -0.764) 3.179 35.301 ( -2.066 -2.819 0.619) 3.550 35.631 ( 2.176 1.239 -0.815) 2.633 35.728 ( 8.924 -2.063 -4.320) 10.127 35.873 ( 2.023 -2.851 6.433) 7.321 36.034 ( -6.149 -7.322 -0.602) 9.580 36.193 ( -0.899 7.047 0.528) 7.124 36.894 ( -0.953 -1.773 -0.762) 2.152 39.141 ( -0.375 2.927 -1.078) 3.142 39.311 ( 0.560 -0.326 0.448) 0.788 39.681 ( 2.489 -7.535 1.744) 8.125 39.917 ( -3.409 -11.584 -1.843) 12.215 40.396 ( -2.335 13.598 -1.687) 13.900 40.689 ( 2.250 -3.305 3.656) 5.418 40.876 ( 1.031 1.203 -2.936) 3.336 41.480 ( -0.531 -0.336 -0.341) 0.715 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 29.035 0.000) 29.035 2.052 ( 0.000 27.291 0.000) 27.291 2.339 ( 0.000 1.877 0.000) 1.877 2.598 ( 0.000 3.593 0.000) 3.593 2.915 ( 0.000 -13.689 0.000) 13.689 3.057 ( 0.000 6.329 0.000) 6.329 3.167 ( 0.000 -11.096 0.000) 11.096 3.225 ( 0.000 2.417 0.000) 2.417 3.346 ( 0.000 -2.698 0.000) 2.698 3.398 ( 0.000 -6.477 0.000) 6.477 3.555 ( 0.000 4.873 0.000) 4.873 3.663 ( 0.000 -2.885 0.000) 2.885 3.758 ( 0.000 5.682 0.000) 5.682 3.806 ( 0.000 -1.155 0.000) 1.155 3.844 ( 0.000 31.472 0.000) 31.472 3.900 ( 0.000 3.714 0.000) 3.714 4.017 ( 0.000 3.899 0.000) 3.899 4.059 ( 0.000 8.278 0.000) 8.278 4.117 ( 0.000 4.512 0.000) 4.512 4.159 ( 0.000 2.837 0.000) 2.837 4.264 ( 0.000 0.997 0.000) 0.997 4.292 ( 0.000 1.008 0.000) 1.008 4.421 ( 0.000 0.722 0.000) 0.722 4.476 ( 0.000 3.843 0.000) 3.843 4.514 ( 0.000 -0.243 0.000) 0.243 4.707 ( 0.000 -3.483 0.000) 3.483 4.747 ( 0.000 4.636 0.000) 4.636 4.814 ( 0.000 5.409 0.000) 5.409 4.829 ( 0.000 1.709 0.000) 1.709 4.938 ( 0.000 0.425 0.000) 0.425 5.020 ( 0.000 -3.850 0.000) 3.850 5.119 ( 0.000 -1.036 0.000) 1.036 5.239 ( 0.000 -5.104 0.000) 5.104 5.398 ( 0.000 -1.451 0.000) 1.451 5.411 ( 0.000 -3.503 0.000) 3.503 5.492 ( 0.000 4.473 0.000) 4.473 5.598 ( 0.000 1.560 0.000) 1.560 5.632 ( 0.000 -9.619 0.000) 9.619 5.726 ( 0.000 -9.685 0.000) 9.685 5.859 ( 0.000 -12.187 0.000) 12.187 5.909 ( 0.000 0.177 0.000) 0.177 5.933 ( 0.000 -4.987 0.000) 4.987 5.970 ( 0.000 9.007 0.000) 9.007 6.010 ( 0.000 -0.397 0.000) 0.397 6.068 ( 0.000 -0.472 0.000) 0.472 6.151 ( 0.000 9.343 0.000) 9.343 6.284 ( 0.000 6.837 0.000) 6.837 6.460 ( 0.000 -7.636 0.000) 7.636 6.492 ( 0.000 -6.518 0.000) 6.518 6.557 ( 0.000 -2.428 0.000) 2.428 6.559 ( 0.000 9.270 0.000) 9.270 6.602 ( 0.000 3.773 0.000) 3.773 6.670 ( 0.000 -8.851 0.000) 8.851 6.733 ( 0.000 7.592 0.000) 7.592 6.845 ( 0.000 5.687 0.000) 5.687 6.846 ( 0.000 -2.232 0.000) 2.232 6.896 ( 0.000 -1.671 0.000) 1.671 6.946 ( 0.000 -5.095 0.000) 5.095 7.033 ( 0.000 -3.845 0.000) 3.845 7.106 ( 0.000 -1.605 0.000) 1.605 7.126 ( 0.000 4.111 0.000) 4.111 7.176 ( 0.000 -10.708 0.000) 10.708 7.255 ( 0.000 1.793 0.000) 1.793 7.260 ( 0.000 6.760 0.000) 6.760 7.375 ( 0.000 3.158 0.000) 3.158 7.404 ( 0.000 -0.420 0.000) 0.420 7.534 ( 0.000 10.649 0.000) 10.649 7.548 ( 0.000 -2.283 0.000) 2.283 7.599 ( 0.000 -7.462 0.000) 7.462 7.600 ( 0.000 5.133 0.000) 5.133 7.768 ( 0.000 -3.701 0.000) 3.701 7.837 ( 0.000 6.642 0.000) 6.642 7.868 ( 0.000 -2.668 0.000) 2.668 7.897 ( 0.000 -2.411 0.000) 2.411 7.919 ( 0.000 -4.817 0.000) 4.817 7.937 ( 0.000 4.950 0.000) 4.950 8.012 ( 0.000 1.421 0.000) 1.421 8.210 ( 0.000 7.090 0.000) 7.090 8.221 ( 0.000 -9.148 0.000) 9.148 8.322 ( 0.000 3.450 0.000) 3.450 8.328 ( 0.000 -3.902 0.000) 3.902 8.548 ( 0.000 -2.510 0.000) 2.510 8.637 ( 0.000 -0.777 0.000) 0.777 8.833 ( 0.000 -6.755 0.000) 6.755 8.898 ( 0.000 0.924 0.000) 0.924 8.934 ( 0.000 2.959 0.000) 2.959 9.194 ( 0.000 7.093 0.000) 7.093 9.240 ( 0.000 -2.803 0.000) 2.803 9.267 ( 0.000 -2.478 0.000) 2.478 9.364 ( 0.000 -1.098 0.000) 1.098 9.604 ( 0.000 7.016 0.000) 7.016 9.677 ( 0.000 2.568 0.000) 2.568 10.165 ( 0.000 -0.336 0.000) 0.336 10.299 ( 0.000 -2.910 0.000) 2.910 10.488 ( 0.000 -0.910 0.000) 0.910 10.504 ( 0.000 0.792 0.000) 0.792 10.996 ( 0.000 11.101 0.000) 11.101 11.433 ( 0.000 -7.763 0.000) 7.763 11.956 ( 0.000 4.376 0.000) 4.376 12.164 ( 0.000 -4.773 0.000) 4.773 12.484 ( 0.000 1.061 0.000) 1.061 12.633 ( 0.000 -6.014 0.000) 6.014 12.815 ( 0.000 7.876 0.000) 7.876 13.150 ( 0.000 -7.103 0.000) 7.103 15.253 ( 0.000 2.913 0.000) 2.913 15.474 ( 0.000 -7.051 0.000) 7.051 15.983 ( 0.000 3.566 0.000) 3.566 16.115 ( 0.000 -1.513 0.000) 1.513 16.839 ( 0.000 -0.228 0.000) 0.228 16.845 ( 0.000 -0.247 0.000) 0.247 17.158 ( 0.000 4.179 0.000) 4.179 17.285 ( 0.000 -0.283 0.000) 0.283 17.306 ( 0.000 0.685 0.000) 0.685 17.392 ( 0.000 -3.370 0.000) 3.370 17.513 ( 0.000 1.234 0.000) 1.234 17.591 ( 0.000 -5.018 0.000) 5.018 17.827 ( 0.000 -1.524 0.000) 1.524 17.868 ( 0.000 -3.235 0.000) 3.235 17.918 ( 0.000 3.621 0.000) 3.621 18.105 ( 0.000 -4.707 0.000) 4.707 18.245 ( 0.000 -1.657 0.000) 1.657 18.253 ( 0.000 -2.872 0.000) 2.872 18.420 ( 0.000 1.464 0.000) 1.464 18.568 ( 0.000 -4.699 0.000) 4.699 20.668 ( 0.000 0.373 0.000) 0.373 20.694 ( 0.000 -1.110 0.000) 1.110 20.798 ( 0.000 -0.170 0.000) 0.170 20.835 ( 0.000 -1.782 0.000) 1.782 21.500 ( 0.000 0.560 0.000) 0.560 21.505 ( 0.000 0.439 0.000) 0.439 21.616 ( 0.000 1.617 0.000) 1.617 21.678 ( 0.000 -1.312 0.000) 1.312 27.230 ( 0.000 0.146 0.000) 0.146 27.242 ( 0.000 -0.330 0.000) 0.330 27.306 ( 0.000 0.404 0.000) 0.404 27.319 ( 0.000 0.050 0.000) 0.050 27.642 ( 0.000 1.209 0.000) 1.209 27.663 ( 0.000 0.279 0.000) 0.279 27.704 ( 0.000 1.658 0.000) 1.658 27.741 ( 0.000 0.173 0.000) 0.173 35.146 ( 0.000 -0.006 0.000) 0.006 35.164 ( 0.000 -0.382 0.000) 0.382 35.425 ( 0.000 4.432 0.000) 4.432 35.568 ( 0.000 -0.967 0.000) 0.967 35.851 ( 0.000 2.335 0.000) 2.335 36.029 ( 0.000 -6.788 0.000) 6.788 36.395 ( 0.000 9.590 0.000) 9.590 36.795 ( 0.000 -9.438 0.000) 9.438 39.247 ( 0.000 1.696 0.000) 1.696 39.262 ( 0.000 0.640 0.000) 0.640 39.584 ( 0.000 0.835 0.000) 0.835 39.894 ( 0.000 -14.798 0.000) 14.798 40.423 ( 0.000 6.383 0.000) 6.383 40.653 ( 0.000 -4.537 0.000) 4.537 41.022 ( 0.000 13.852 0.000) 13.852 41.438 ( 0.000 -6.303 0.000) 6.303 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.709 22.952 2.959) 23.152 2.085 ( 3.702 18.914 1.714) 19.349 2.375 ( 5.073 5.394 0.832) 7.451 2.658 ( 2.158 2.732 2.887) 4.523 2.896 ( -5.753 -11.728 -5.150) 14.041 2.991 ( -0.096 -0.532 2.415) 2.475 3.147 ( 2.483 -2.128 0.922) 3.397 3.229 ( -0.556 -1.084 1.049) 1.607 3.304 ( -1.828 -1.674 -1.994) 3.181 3.478 ( 0.099 3.591 -2.322) 4.277 3.537 ( -8.815 13.059 1.816) 15.860 3.639 ( 4.781 7.183 -2.128) 8.887 3.671 ( -3.375 -0.313 -1.349) 3.648 3.739 ( -0.533 1.943 -1.722) 2.650 3.881 ( -2.670 3.889 -0.774) 4.780 3.943 ( -1.774 -3.298 3.317) 5.003 3.957 ( -0.627 13.692 8.368) 16.059 4.055 ( -2.282 8.499 -0.839) 8.840 4.126 ( 2.771 7.361 -3.826) 8.747 4.254 ( -4.783 5.390 1.498) 7.360 4.300 ( 6.904 -2.431 0.466) 7.334 4.335 ( 4.052 -1.137 5.674) 7.065 4.413 ( 4.377 1.374 3.767) 5.936 4.507 ( 0.469 5.296 -3.721) 6.490 4.531 ( 3.792 2.658 1.034) 4.745 4.704 ( -3.644 -1.326 1.002) 4.005 4.743 ( 2.958 -0.081 -1.747) 3.436 4.826 ( 2.107 -1.734 1.105) 2.944 4.908 ( 2.933 2.461 3.117) 4.937 4.946 ( 1.824 2.555 1.809) 3.623 5.041 ( 2.012 -1.174 0.341) 2.355 5.130 ( 2.197 -0.352 1.143) 2.501 5.268 ( 2.736 -4.362 -5.361) 7.433 5.403 ( -3.747 -3.137 -4.674) 6.762 5.436 ( -3.142 -1.025 1.228) 3.525 5.451 ( 3.223 -3.122 0.597) 4.527 5.505 ( -1.676 -0.371 -0.619) 1.825 5.601 ( -0.870 -3.953 -2.776) 4.908 5.746 ( 0.040 -4.272 0.524) 4.304 5.794 ( -6.751 0.153 -1.527) 6.924 5.818 ( -6.357 -4.002 -1.396) 7.640 5.876 ( -0.601 -4.129 1.137) 4.324 5.956 ( -0.983 7.088 -4.265) 8.330 6.059 ( 3.164 1.521 -2.049) 4.065 6.102 ( 4.307 0.448 -3.463) 5.545 6.249 ( -2.390 4.857 -2.502) 5.964 6.263 ( 2.292 1.872 1.456) 3.298 6.342 ( -3.171 1.933 0.431) 3.739 6.467 ( -4.711 -4.023 3.810) 7.273 6.509 ( -1.074 3.440 1.385) 3.861 6.535 ( -3.085 -7.458 2.796) 8.541 6.644 ( 4.134 3.861 0.177) 5.659 6.726 ( -3.511 2.522 5.221) 6.778 6.752 ( 2.356 -0.583 -1.560) 2.886 6.831 ( -1.925 0.023 -0.210) 1.937 6.873 ( -2.548 0.962 -1.540) 3.129 6.934 ( 3.242 -4.246 0.278) 5.349 6.949 ( 1.788 -1.026 -4.888) 5.304 7.043 ( 3.453 0.586 -1.063) 3.661 7.084 ( 1.310 -1.425 3.077) 3.636 7.136 ( 0.015 0.043 1.577) 1.577 7.207 ( -1.068 -0.434 2.335) 2.604 7.221 ( 0.620 -4.692 2.686) 5.442 7.256 ( 1.545 -0.130 -3.892) 4.190 7.396 ( -0.767 0.576 0.990) 1.378 7.449 ( 0.309 5.444 0.321) 5.462 7.501 ( 3.505 0.608 0.310) 3.570 7.555 ( 1.764 5.632 -1.053) 5.995 7.600 ( -0.075 1.668 -2.159) 2.730 7.691 ( 2.282 -4.353 4.286) 6.521 7.756 ( 0.790 -4.273 -0.252) 4.352 7.800 ( -2.898 3.625 1.001) 4.748 7.842 ( -1.647 -4.289 1.486) 4.829 7.909 ( 0.908 -2.887 0.191) 3.032 7.986 ( 2.805 3.416 2.401) 5.030 8.001 ( 5.474 -0.726 3.906) 6.764 8.109 ( 5.511 -0.199 -0.723) 5.562 8.195 ( 0.411 0.787 1.104) 1.416 8.257 ( -1.433 -2.940 0.644) 3.333 8.295 ( 1.138 -1.329 -0.495) 1.819 8.371 ( 4.707 0.196 -3.038) 5.606 8.504 ( -3.623 -1.843 -3.216) 5.183 8.617 ( 1.276 1.120 0.237) 1.714 8.803 ( -2.292 -2.493 0.511) 3.425 8.852 ( -2.390 1.766 -3.881) 4.888 8.941 ( -0.642 1.054 0.893) 1.523 9.100 ( -3.910 4.134 -2.257) 6.122 9.205 ( -3.878 -2.599 -2.733) 5.409 9.336 ( 0.984 0.808 5.327) 5.477 9.434 ( 3.717 -2.250 5.182) 6.763 9.593 ( -0.562 6.807 -1.004) 6.904 9.675 ( 0.011 1.685 -0.991) 1.955 10.165 ( -0.527 -0.696 0.433) 0.974 10.265 ( -1.836 -3.813 -3.004) 5.190 10.417 ( -2.374 5.340 -1.868) 6.135 10.562 ( 1.483 -3.154 2.704) 4.411 10.996 ( 0.200 10.090 -0.627) 10.112 11.419 ( -0.859 -7.668 -0.961) 7.775 11.952 ( -1.136 4.468 1.639) 4.893 12.174 ( 0.645 -5.118 0.464) 5.179 12.430 ( -1.059 1.482 -8.107) 8.309 12.556 ( -6.749 -5.398 1.250) 8.732 12.813 ( -0.200 7.970 0.213) 7.976 13.160 ( 0.867 -7.365 -0.179) 7.418 15.274 ( 1.582 1.957 0.848) 2.656 15.452 ( -2.522 -5.865 0.489) 6.403 15.968 ( -0.680 3.534 -1.343) 3.841 16.090 ( -1.466 -0.437 -1.671) 2.266 16.813 ( -2.135 0.173 -0.055) 2.143 16.833 ( -0.490 -0.713 -1.143) 1.434 17.175 ( 0.671 3.879 1.402) 4.179 17.273 ( -0.113 0.677 -0.997) 1.210 17.332 ( 1.471 -0.390 1.166) 1.917 17.398 ( -0.183 -2.826 1.315) 3.122 17.479 ( -1.192 0.392 -2.167) 2.504 17.595 ( -0.498 -4.256 0.170) 4.289 17.842 ( 1.329 -1.550 0.217) 2.053 17.878 ( 1.017 -3.050 -0.415) 3.242 17.927 ( 1.146 2.875 -0.376) 3.118 18.079 ( -2.369 -4.215 -0.516) 4.862 18.202 ( -1.443 0.735 -0.436) 1.677 18.305 ( 1.621 -4.588 1.437) 5.074 18.437 ( 0.991 0.880 0.983) 1.650 18.561 ( -0.228 -4.297 0.025) 4.303 20.669 ( 0.200 0.296 -0.102) 0.372 20.688 ( -0.343 -0.768 -0.406) 0.934 20.808 ( 0.651 -0.507 0.471) 0.950 20.839 ( -0.178 -1.835 0.982) 2.089 21.498 ( -0.091 0.890 0.122) 0.903 21.512 ( 0.390 0.216 0.241) 0.507 21.615 ( -0.095 1.421 0.061) 1.426 21.662 ( -1.327 -0.643 -0.172) 1.485 27.221 ( -0.601 0.581 -0.055) 0.838 27.248 ( 0.452 -0.667 -0.110) 0.813 27.304 ( -0.100 0.347 -0.077) 0.369 27.319 ( -0.059 -0.142 0.018) 0.154 27.639 ( -0.247 1.066 -0.183) 1.109 27.652 ( -0.823 0.474 -0.139) 0.960 27.712 ( 0.428 1.469 0.325) 1.564 27.742 ( 0.062 0.286 0.063) 0.300 35.108 ( 0.733 2.585 -0.624) 2.759 35.252 ( 2.891 -4.353 -0.230) 5.230 35.486 ( 7.014 3.615 0.274) 7.895 35.610 ( 4.011 -0.542 -0.617) 4.095 35.852 ( -0.851 1.643 1.778) 2.566 35.998 ( -3.827 -6.368 1.103) 7.511 36.384 ( -1.107 9.724 0.282) 9.791 36.789 ( -0.366 -9.034 -0.213) 9.044 39.224 ( -0.461 2.507 -1.728) 3.079 39.282 ( 0.800 -0.239 0.631) 1.047 39.572 ( -0.638 -0.243 -0.355) 0.769 39.813 ( -5.440 -11.789 -2.417) 13.206 40.505 ( 5.122 3.361 2.665) 6.681 40.643 ( -1.135 -1.304 0.810) 1.909 41.015 ( -0.108 11.951 -1.449) 12.039 41.424 ( -0.966 -6.479 -0.477) 6.568 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -2.686 10.431 -0.332) 10.776 2.261 ( 8.645 10.248 5.490) 14.488 2.455 ( -1.365 -3.780 -3.498) 5.328 2.633 ( -1.366 12.004 1.296) 12.151 2.863 ( 2.512 -9.164 -0.563) 9.519 3.015 ( 1.034 4.854 3.417) 6.025 3.172 ( -2.828 6.084 -3.557) 7.594 3.216 ( -3.389 -0.874 -0.071) 3.501 3.271 ( 2.413 9.031 -1.730) 9.507 3.323 ( -4.115 12.171 1.932) 12.993 3.522 ( -0.897 -1.286 1.704) 2.315 3.619 ( -2.159 -1.758 2.765) 3.924 3.635 ( -0.883 5.507 -4.505) 7.169 3.758 ( 4.096 9.239 -2.215) 10.346 3.814 ( -0.391 -0.730 -3.332) 3.434 3.928 ( -3.279 1.404 2.474) 4.341 3.942 ( -4.112 1.187 -0.640) 4.328 4.049 ( -0.784 2.609 3.830) 4.700 4.140 ( -0.680 10.020 1.508) 10.156 4.295 ( 7.718 0.813 3.017) 8.327 4.349 ( -1.849 -0.459 -2.285) 2.975 4.408 ( 1.700 -3.054 0.910) 3.612 4.461 ( -3.967 -0.356 -0.261) 3.992 4.590 ( 3.444 0.333 4.024) 5.307 4.653 ( -1.023 -0.398 -1.766) 2.079 4.691 ( 12.155 5.013 3.902) 13.715 4.794 ( 1.028 2.591 2.727) 3.900 4.909 ( -0.766 -2.002 -1.785) 2.790 4.950 ( 7.485 1.976 1.554) 7.896 5.042 ( 2.348 2.137 3.045) 4.399 5.079 ( 1.674 -1.121 1.273) 2.383 5.156 ( -5.256 2.089 -7.400) 9.314 5.191 ( -1.615 -4.526 -1.468) 5.024 5.313 ( -2.226 0.182 -0.144) 2.238 5.403 ( 1.830 -0.711 1.854) 2.700 5.441 ( -3.126 -1.667 -1.062) 3.698 5.539 ( -0.716 -1.938 -0.237) 2.079 5.558 ( -0.296 -4.430 0.307) 4.450 5.646 ( -5.357 -0.329 -3.721) 6.531 5.698 ( -2.762 -2.558 0.276) 3.775 5.783 ( 4.063 3.026 -5.235) 7.285 5.875 ( 0.379 2.508 3.328) 4.184 5.931 ( 3.298 11.040 -1.524) 11.623 6.054 ( -3.798 2.447 -1.421) 4.736 6.136 ( -3.244 3.337 -0.272) 4.662 6.157 ( -1.145 1.139 -2.578) 3.042 6.221 ( 4.773 -1.183 -0.732) 4.972 6.339 ( -6.662 -3.901 0.445) 7.733 6.428 ( 0.229 4.261 1.257) 4.448 6.530 ( -0.367 -4.626 1.045) 4.757 6.570 ( 1.266 1.785 2.726) 3.496 6.608 ( -2.176 -0.361 -0.068) 2.206 6.736 ( -0.992 -1.664 -0.443) 1.987 6.792 ( 1.222 -4.500 4.683) 6.609 6.823 ( 3.513 1.390 -3.279) 5.003 6.864 ( -1.284 -3.172 -0.673) 3.488 6.873 ( -1.250 -5.300 2.612) 6.040 6.962 ( 0.978 1.482 -2.756) 3.279 7.066 ( -4.112 -3.202 -1.744) 5.495 7.084 ( 0.579 3.219 -1.294) 3.518 7.171 ( 1.621 0.719 -0.517) 1.847 7.243 ( 0.031 0.155 2.000) 2.006 7.278 ( 6.241 -1.117 2.053) 6.664 7.314 ( 0.536 0.532 2.713) 2.816 7.381 ( 0.191 0.138 -1.925) 1.939 7.432 ( -0.476 0.448 -1.090) 1.270 7.542 ( -0.371 1.532 1.471) 2.156 7.605 ( 3.662 2.981 -3.171) 5.687 7.636 ( 3.345 4.635 1.797) 5.992 7.673 ( -3.336 -1.191 0.145) 3.545 7.757 ( 0.102 -0.334 -0.053) 0.353 7.786 ( -2.163 -1.073 3.546) 4.290 7.894 ( 4.267 -6.591 -0.125) 7.853 7.957 ( 1.709 -1.946 1.784) 3.145 7.997 ( -5.472 -3.982 1.190) 6.871 8.127 ( 5.857 -1.099 1.413) 6.124 8.145 ( -0.158 -3.838 0.419) 3.864 8.198 ( -1.016 -3.899 2.726) 4.864 8.255 ( -0.871 1.096 0.481) 1.480 8.314 ( 1.406 3.663 -5.045) 6.391 8.426 ( 3.869 0.147 -3.418) 5.165 8.451 ( 1.080 -4.281 2.460) 5.054 8.710 ( 4.473 2.462 0.950) 5.193 8.729 ( -2.788 0.070 -4.440) 5.243 8.759 ( -3.542 8.542 1.143) 9.317 8.949 ( -0.375 -0.476 0.601) 0.854 9.029 ( -0.489 3.787 -0.555) 3.859 9.091 ( -4.356 -1.103 -2.400) 5.095 9.382 ( -0.629 3.513 3.565) 5.044 9.527 ( -0.555 -0.405 4.074) 4.131 9.586 ( 2.656 1.916 -1.704) 3.692 9.646 ( -1.495 -1.745 -1.890) 2.975 10.129 ( -1.668 0.771 -1.682) 2.491 10.225 ( -0.154 -4.466 -0.252) 4.476 10.380 ( -0.634 7.382 -0.322) 7.416 10.607 ( 0.811 -4.284 1.395) 4.578 10.990 ( 0.006 8.700 -0.623) 8.722 11.392 ( -0.673 -7.495 -0.623) 7.551 11.952 ( -0.658 4.380 1.655) 4.728 12.186 ( 0.230 -5.827 -0.286) 5.839 12.326 ( -1.206 3.360 -4.782) 5.967 12.472 ( -2.624 -6.032 0.756) 6.622 12.812 ( -0.130 8.125 0.200) 8.128 13.171 ( 0.393 -7.588 -0.100) 7.599 15.319 ( 2.096 -0.552 0.694) 2.276 15.397 ( -3.032 -2.607 -0.055) 3.999 15.943 ( -0.416 3.510 -0.859) 3.637 16.047 ( -0.937 1.106 -1.032) 1.780 16.778 ( -1.064 0.408 -0.179) 1.154 16.816 ( -0.336 -1.368 -0.416) 1.469 17.196 ( 0.081 3.969 0.902) 4.071 17.265 ( 0.005 1.291 -0.385) 1.347 17.372 ( 1.864 -1.990 -0.287) 2.742 17.404 ( -0.889 -2.183 1.480) 2.783 17.450 ( -0.062 -0.101 -1.029) 1.036 17.578 ( -0.840 -3.348 -0.006) 3.451 17.871 ( 1.280 -1.533 0.156) 2.004 17.887 ( 0.055 -1.808 -0.324) 1.838 17.952 ( 1.828 0.017 -0.634) 1.935 18.023 ( -2.583 -2.216 -0.074) 3.404 18.181 ( -0.600 2.272 0.069) 2.351 18.334 ( 0.547 -5.581 0.467) 5.627 18.460 ( 0.397 0.476 0.460) 0.772 18.568 ( 0.408 -4.696 0.352) 4.727 20.673 ( 0.240 0.063 -0.011) 0.248 20.678 ( -0.274 -0.309 -0.213) 0.465 20.823 ( 0.432 -0.852 0.186) 0.973 20.844 ( -0.199 -1.880 0.596) 1.982 21.499 ( -0.010 1.187 0.094) 1.191 21.520 ( 0.195 0.088 0.127) 0.249 21.616 ( 0.106 0.997 0.082) 1.006 21.637 ( -0.874 0.264 -0.121) 0.921 27.212 ( -0.276 1.032 -0.039) 1.069 27.254 ( 0.201 -0.968 -0.065) 0.991 27.302 ( -0.013 0.123 -0.050) 0.134 27.317 ( -0.123 -0.276 0.009) 0.302 27.633 ( -0.016 0.825 -0.178) 0.844 27.638 ( -0.531 0.623 0.013) 0.819 27.721 ( 0.186 1.337 0.196) 1.364 27.743 ( 0.022 0.501 0.007) 0.502 35.146 ( 2.697 2.875 -0.485) 3.972 35.256 ( -1.296 -2.081 0.236) 2.463 35.631 ( 5.375 -0.476 -1.101) 5.507 35.685 ( 4.683 -1.700 -0.694) 5.030 35.857 ( -1.004 0.054 3.195) 3.349 35.913 ( -4.822 -4.315 -0.349) 6.480 36.368 ( -0.676 9.997 0.229) 10.022 36.783 ( -0.062 -8.468 -0.075) 8.469 39.204 ( -0.169 3.233 -0.805) 3.336 39.297 ( 0.376 -1.067 0.087) 1.134 39.574 ( 0.762 -2.911 0.536) 3.056 39.696 ( -3.640 -9.185 -1.787) 10.040 40.585 ( 0.875 4.645 0.160) 4.729 40.657 ( 1.146 -0.668 2.034) 2.428 40.992 ( -0.423 10.196 -1.303) 10.288 41.403 ( -0.581 -6.863 -0.276) 6.893 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 -7.556 0.000) 7.556 2.317 ( 0.000 7.556 0.000) 7.556 2.502 ( 0.000 -22.896 0.000) 22.896 2.502 ( 0.000 22.896 0.000) 22.896 2.828 ( 0.000 -18.891 0.000) 18.891 2.828 ( 0.000 18.891 0.000) 18.891 3.186 ( 0.000 -5.669 0.000) 5.669 3.186 ( 0.000 5.669 0.000) 5.669 3.328 ( 0.000 -1.490 0.000) 1.490 3.328 ( 0.000 1.490 0.000) 1.490 3.620 ( 0.000 -1.234 0.000) 1.234 3.620 ( 0.000 1.234 0.000) 1.234 3.807 ( 0.000 -0.956 0.000) 0.956 3.807 ( 0.000 0.956 0.000) 0.956 3.992 ( 0.000 -4.777 0.000) 4.777 3.992 ( 0.000 4.777 0.000) 4.777 4.090 ( 0.000 -3.702 0.000) 3.702 4.090 ( 0.000 3.702 0.000) 3.702 4.219 ( 0.000 -3.752 0.000) 3.752 4.219 ( 0.000 3.752 0.000) 3.752 4.347 ( 0.000 -6.432 0.000) 6.432 4.347 ( 0.000 6.432 0.000) 6.432 4.472 ( 0.000 -8.222 0.000) 8.222 4.472 ( 0.000 8.222 0.000) 8.222 4.583 ( 0.000 -6.241 0.000) 6.241 4.583 ( 0.000 6.241 0.000) 6.241 4.819 ( 0.000 -2.488 0.000) 2.488 4.819 ( 0.000 2.488 0.000) 2.488 4.965 ( 0.000 -2.040 0.000) 2.040 4.965 ( 0.000 2.040 0.000) 2.040 5.146 ( 0.000 -5.938 0.000) 5.938 5.146 ( 0.000 5.938 0.000) 5.938 5.165 ( 0.000 -24.345 0.000) 24.345 5.165 ( 0.000 24.345 0.000) 24.345 5.369 ( 0.000 -0.585 0.000) 0.585 5.369 ( 0.000 0.585 0.000) 0.585 5.620 ( 0.000 -6.227 0.000) 6.227 5.620 ( 0.000 6.227 0.000) 6.227 5.666 ( 0.000 -6.100 0.000) 6.100 5.666 ( 0.000 6.100 0.000) 6.100 5.892 ( 0.000 -0.554 0.000) 0.554 5.892 ( 0.000 0.554 0.000) 0.554 6.038 ( 0.000 -2.019 0.000) 2.019 6.038 ( 0.000 2.019 0.000) 2.019 6.221 ( 0.000 -13.837 0.000) 13.837 6.221 ( 0.000 13.837 0.000) 13.837 6.338 ( 0.000 -8.442 0.000) 8.442 6.338 ( 0.000 8.442 0.000) 8.442 6.455 ( 0.000 -9.457 0.000) 9.457 6.455 ( 0.000 9.457 0.000) 9.457 6.595 ( 0.000 -0.990 0.000) 0.990 6.595 ( 0.000 0.990 0.000) 0.990 6.777 ( 0.000 -8.553 0.000) 8.553 6.777 ( 0.000 8.553 0.000) 8.553 6.823 ( 0.000 -2.423 0.000) 2.423 6.823 ( 0.000 2.423 0.000) 2.423 6.946 ( 0.000 -4.992 0.000) 4.992 6.946 ( 0.000 4.992 0.000) 4.992 6.967 ( 0.000 -7.883 0.000) 7.883 6.967 ( 0.000 7.883 0.000) 7.883 7.138 ( 0.000 -1.805 0.000) 1.805 7.138 ( 0.000 1.805 0.000) 1.805 7.298 ( 0.000 -2.054 0.000) 2.054 7.298 ( 0.000 2.054 0.000) 2.054 7.462 ( 0.000 -4.877 0.000) 4.877 7.462 ( 0.000 4.877 0.000) 4.877 7.465 ( 0.000 -6.464 0.000) 6.464 7.465 ( 0.000 6.464 0.000) 6.464 7.685 ( 0.000 -4.943 0.000) 4.943 7.685 ( 0.000 4.943 0.000) 4.943 7.749 ( 0.000 -7.869 0.000) 7.869 7.749 ( 0.000 7.869 0.000) 7.869 7.870 ( 0.000 -0.736 0.000) 0.736 7.870 ( 0.000 0.736 0.000) 0.736 7.968 ( 0.000 -5.989 0.000) 5.989 7.968 ( 0.000 5.989 0.000) 5.989 8.068 ( 0.000 -6.268 0.000) 6.268 8.068 ( 0.000 6.268 0.000) 6.268 8.269 ( 0.000 -1.524 0.000) 1.524 8.269 ( 0.000 1.524 0.000) 1.524 8.468 ( 0.000 -6.321 0.000) 6.321 8.468 ( 0.000 6.321 0.000) 6.321 8.672 ( 0.000 -5.980 0.000) 5.980 8.672 ( 0.000 5.980 0.000) 5.980 8.941 ( 0.000 -1.696 0.000) 1.696 8.941 ( 0.000 1.696 0.000) 1.696 9.224 ( 0.000 -1.077 0.000) 1.077 9.224 ( 0.000 1.077 0.000) 1.077 9.315 ( 0.000 -4.230 0.000) 4.230 9.315 ( 0.000 4.230 0.000) 4.230 9.695 ( 0.000 -1.538 0.000) 1.538 9.695 ( 0.000 1.538 0.000) 1.538 10.205 ( 0.000 -4.348 0.000) 4.348 10.205 ( 0.000 4.348 0.000) 4.348 10.500 ( 0.000 -1.014 0.000) 1.014 10.500 ( 0.000 1.014 0.000) 1.014 11.232 ( 0.000 -11.548 0.000) 11.548 11.232 ( 0.000 11.548 0.000) 11.548 12.060 ( 0.000 -5.452 0.000) 5.452 12.060 ( 0.000 5.452 0.000) 5.452 12.531 ( 0.000 -3.779 0.000) 3.779 12.531 ( 0.000 3.779 0.000) 3.779 12.985 ( 0.000 -8.744 0.000) 8.744 12.985 ( 0.000 8.744 0.000) 8.744 15.342 ( 0.000 -5.773 0.000) 5.773 15.342 ( 0.000 5.773 0.000) 5.773 16.059 ( 0.000 -3.648 0.000) 3.648 16.059 ( 0.000 3.648 0.000) 3.648 16.841 ( 0.000 -0.215 0.000) 0.215 16.841 ( 0.000 0.215 0.000) 0.215 17.250 ( 0.000 -3.733 0.000) 3.733 17.250 ( 0.000 3.733 0.000) 3.733 17.330 ( 0.000 -2.218 0.000) 2.218 17.330 ( 0.000 2.218 0.000) 2.218 17.525 ( 0.000 -1.119 0.000) 1.119 17.525 ( 0.000 1.119 0.000) 1.119 17.823 ( 0.000 -1.104 0.000) 1.104 17.823 ( 0.000 1.104 0.000) 1.104 18.005 ( 0.000 -4.827 0.000) 4.827 18.005 ( 0.000 4.827 0.000) 4.827 18.228 ( 0.000 -0.001 0.000) 0.001 18.228 ( 0.000 0.001 0.000) 0.001 18.478 ( 0.000 -3.968 0.000) 3.968 18.478 ( 0.000 3.968 0.000) 3.968 20.677 ( 0.000 -0.624 0.000) 0.624 20.677 ( 0.000 0.624 0.000) 0.624 20.806 ( 0.000 -1.004 0.000) 1.004 20.806 ( 0.000 1.004 0.000) 1.004 21.508 ( 0.000 -0.163 0.000) 0.163 21.508 ( 0.000 0.163 0.000) 0.163 21.649 ( 0.000 -1.558 0.000) 1.558 21.649 ( 0.000 1.558 0.000) 1.558 27.235 ( 0.000 -0.338 0.000) 0.338 27.235 ( 0.000 0.338 0.000) 0.338 27.315 ( 0.000 -0.403 0.000) 0.403 27.315 ( 0.000 0.403 0.000) 0.403 27.661 ( 0.000 -0.545 0.000) 0.545 27.661 ( 0.000 0.545 0.000) 0.545 27.732 ( 0.000 -0.997 0.000) 0.997 27.732 ( 0.000 0.997 0.000) 0.997 35.152 ( 0.000 -0.570 0.000) 0.570 35.152 ( 0.000 0.570 0.000) 0.570 35.518 ( 0.000 -4.014 0.000) 4.014 35.518 ( 0.000 4.014 0.000) 4.014 35.914 ( 0.000 -4.289 0.000) 4.289 35.914 ( 0.000 4.289 0.000) 4.289 36.596 ( 0.000 -10.133 0.000) 10.133 36.596 ( 0.000 10.133 0.000) 10.133 39.268 ( 0.000 -0.332 0.000) 0.332 39.268 ( 0.000 0.332 0.000) 0.332 39.666 ( 0.000 -7.595 0.000) 7.595 39.666 ( 0.000 7.595 0.000) 7.595 40.548 ( 0.000 -5.858 0.000) 5.858 40.548 ( 0.000 5.858 0.000) 5.858 41.268 ( 0.000 -10.411 0.000) 10.411 41.268 ( 0.000 10.411 0.000) 10.411 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.815 -4.781 -3.198) 7.501 2.252 ( -4.815 4.781 -3.198) 7.501 2.543 ( 3.068 -15.466 1.851) 15.876 2.543 ( 3.068 15.466 1.851) 15.876 2.876 ( 3.139 -15.432 2.316) 15.917 2.876 ( 3.139 15.432 2.316) 15.918 3.121 ( -2.828 -4.209 2.489) 5.649 3.121 ( -2.828 4.209 2.489) 5.649 3.408 ( 3.967 -6.619 -0.918) 7.771 3.408 ( 3.967 6.619 -0.918) 7.771 3.692 ( 2.599 -1.534 3.783) 4.839 3.692 ( 2.599 1.534 3.783) 4.839 3.739 ( -2.602 -4.704 -2.350) 5.867 3.739 ( -2.602 4.704 -2.350) 5.867 3.872 ( -6.927 -1.151 -3.600) 7.891 3.872 ( -6.927 1.151 -3.600) 7.891 4.154 ( -2.148 -5.490 3.730) 6.976 4.154 ( -2.148 5.490 3.730) 6.976 4.253 ( 1.757 -5.451 1.985) 6.061 4.253 ( 1.757 5.451 1.985) 6.061 4.287 ( 1.802 -4.100 -2.905) 5.338 4.287 ( 1.802 4.100 -2.905) 5.338 4.523 ( -1.218 -5.861 3.688) 7.031 4.523 ( -1.218 5.861 3.688) 7.031 4.633 ( 4.608 -4.865 0.923) 6.764 4.633 ( 4.608 4.865 0.923) 6.764 4.804 ( -0.933 -3.721 0.115) 3.838 4.804 ( -0.933 3.721 0.115) 3.838 4.988 ( 3.598 -3.354 -0.710) 4.970 4.988 ( 3.598 3.354 -0.710) 4.970 5.099 ( -2.308 -12.535 -0.948) 12.781 5.099 ( -2.308 12.535 -0.948) 12.781 5.211 ( 4.426 -9.569 0.014) 10.543 5.211 ( 4.426 9.569 0.014) 10.543 5.412 ( 1.214 -2.602 0.655) 2.945 5.412 ( 1.214 2.602 0.655) 2.945 5.522 ( -3.264 -2.336 -3.588) 5.384 5.522 ( -3.264 2.336 -3.588) 5.384 5.758 ( 1.999 -3.686 0.882) 4.286 5.758 ( 1.999 3.686 0.882) 4.286 5.789 ( -3.490 -1.037 -0.109) 3.642 5.789 ( -3.490 1.037 -0.109) 3.642 6.084 ( 1.302 -2.621 -4.991) 5.786 6.084 ( 1.302 2.621 -4.991) 5.786 6.198 ( -1.316 -9.318 0.291) 9.415 6.198 ( -1.316 9.318 0.291) 9.415 6.309 ( 1.617 -3.853 -2.806) 5.034 6.309 ( 1.617 3.853 -2.806) 5.034 6.437 ( -3.101 -3.710 8.013) 9.359 6.437 ( -3.101 3.710 8.013) 9.359 6.633 ( -0.312 -6.474 -0.248) 6.486 6.633 ( -0.312 6.474 -0.248) 6.486 6.756 ( -2.374 -5.105 1.927) 5.951 6.756 ( -2.374 5.105 1.927) 5.951 6.834 ( -1.359 -4.661 -2.855) 5.632 6.834 ( -1.359 4.661 -2.855) 5.632 6.939 ( 1.535 -1.967 -2.652) 3.642 6.939 ( 1.535 1.967 -2.652) 3.642 7.070 ( 8.239 -5.387 1.095) 9.905 7.070 ( 8.239 5.387 1.095) 9.905 7.114 ( -0.781 -2.855 1.302) 3.234 7.114 ( -0.781 2.855 1.302) 3.234 7.241 ( -2.907 -1.761 0.012) 3.399 7.241 ( -2.907 1.761 0.012) 3.399 7.436 ( -2.336 -3.412 -0.187) 4.140 7.436 ( -2.336 3.412 -0.187) 4.140 7.577 ( 7.216 -4.729 2.580) 9.005 7.577 ( 7.216 4.729 2.580) 9.005 7.669 ( -1.525 -3.049 -0.894) 3.524 7.669 ( -1.525 3.049 -0.894) 3.524 7.713 ( -1.043 -7.336 0.357) 7.418 7.713 ( -1.043 7.336 0.357) 7.418 7.868 ( -1.967 -2.480 1.035) 3.330 7.868 ( -1.967 2.480 1.035) 3.330 8.019 ( 2.570 -4.898 3.205) 6.393 8.019 ( 2.570 4.898 3.205) 6.393 8.106 ( 2.994 -5.009 -0.863) 5.899 8.106 ( 2.994 5.009 -0.863) 5.899 8.291 ( 1.122 -0.774 0.625) 1.499 8.291 ( 1.122 0.774 0.625) 1.499 8.429 ( -1.047 -4.639 -2.754) 5.495 8.429 ( -1.047 4.639 -2.754) 5.495 8.693 ( 1.953 -5.800 -0.506) 6.140 8.693 ( 1.953 5.800 -0.506) 6.140 8.920 ( -0.555 -2.820 -0.797) 2.982 8.920 ( -0.555 2.820 -0.797) 2.982 9.159 ( -3.675 -2.173 -2.747) 5.077 9.159 ( -3.675 2.173 -2.747) 5.077 9.381 ( 1.695 -2.976 5.697) 6.647 9.381 ( 1.695 2.976 5.697) 6.647 9.683 ( -0.964 -1.718 -1.431) 2.435 9.683 ( -0.964 1.718 -1.431) 2.435 10.186 ( -1.328 -2.985 -0.900) 3.389 10.186 ( -1.328 2.985 -0.900) 3.389 10.501 ( -0.002 -3.302 0.467) 3.335 10.501 ( -0.002 3.302 0.467) 3.335 11.220 ( -0.667 -11.324 -0.913) 11.381 11.220 ( -0.667 11.324 -0.913) 11.381 12.061 ( -0.304 -5.867 0.774) 5.925 12.061 ( -0.304 5.867 0.774) 5.925 12.471 ( -3.707 -2.970 -2.979) 5.607 12.471 ( -3.707 2.970 -2.979) 5.607 12.988 ( 0.216 -9.076 0.113) 9.080 12.988 ( 0.216 9.076 0.113) 9.080 15.343 ( -0.239 -4.697 0.427) 4.723 15.343 ( -0.239 4.697 0.427) 4.723 16.043 ( -0.737 -3.562 -1.275) 3.854 16.043 ( -0.737 3.562 -1.275) 3.854 16.821 ( -1.383 -0.525 -0.588) 1.592 16.821 ( -1.383 0.525 -0.588) 1.592 17.258 ( 0.655 -3.096 0.093) 3.166 17.258 ( 0.655 3.096 0.093) 3.166 17.337 ( -0.113 -1.962 1.390) 2.407 17.337 ( -0.113 1.962 1.390) 2.407 17.514 ( -0.421 -3.197 -1.041) 3.388 17.514 ( -0.421 3.197 -1.041) 3.388 17.837 ( 1.230 -0.983 0.012) 1.574 17.837 ( 1.230 0.983 0.012) 1.574 17.997 ( -0.442 -3.869 -0.606) 3.941 17.997 ( -0.442 3.869 -0.606) 3.941 18.234 ( 0.092 -2.486 0.734) 2.593 18.234 ( 0.092 2.486 0.734) 2.593 18.482 ( 0.266 -3.329 0.403) 3.363 18.482 ( 0.266 3.329 0.403) 3.363 20.676 ( 0.007 -0.423 -0.165) 0.454 20.676 ( 0.007 0.423 -0.165) 0.454 20.811 ( 0.201 -0.836 0.448) 0.969 20.811 ( 0.201 0.836 0.448) 0.969 21.511 ( 0.185 -0.347 0.211) 0.447 21.511 ( 0.185 0.347 0.211) 0.447 21.642 ( -0.543 -1.212 -0.045) 1.329 21.642 ( -0.543 1.212 -0.045) 1.329 27.234 ( -0.054 -0.701 -0.034) 0.704 27.234 ( -0.054 0.701 -0.034) 0.704 27.313 ( -0.157 -0.447 -0.077) 0.480 27.313 ( -0.157 0.447 -0.077) 0.480 27.654 ( -0.568 -0.362 -0.106) 0.682 27.654 ( -0.568 0.362 -0.106) 0.682 27.736 ( 0.269 -0.830 0.138) 0.883 27.736 ( 0.269 0.830 0.138) 0.883 35.171 ( 1.971 -3.601 -0.315) 4.118 35.171 ( 1.971 3.601 -0.315) 4.118 35.568 ( 4.631 -3.630 -0.339) 5.894 35.568 ( 4.631 3.630 -0.339) 5.894 35.897 ( -2.323 -3.374 1.385) 4.324 35.897 ( -2.323 3.374 1.385) 4.324 36.590 ( -0.596 -10.365 0.127) 10.383 36.590 ( -0.596 10.365 0.127) 10.383 39.266 ( 0.129 -1.482 -0.554) 1.588 39.266 ( 0.129 1.482 -0.554) 1.588 39.628 ( -2.650 -6.021 -1.332) 6.712 39.628 ( -2.650 6.021 -1.332) 6.712 40.583 ( 2.170 -3.908 1.822) 4.828 40.583 ( 2.170 3.908 1.822) 4.828 41.250 ( -1.184 -10.549 -0.900) 10.654 41.250 ( -1.184 10.549 -0.900) 10.654 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -3.317 -13.780 -1.838) 14.292 2.131 ( -3.317 13.780 -1.838) 14.292 2.610 ( 1.718 -12.854 0.654) 12.985 2.610 ( 1.718 12.854 0.654) 12.985 2.969 ( 3.628 -16.460 0.868) 16.878 2.969 ( 3.628 16.460 0.868) 16.878 3.144 ( 0.545 -4.312 3.333) 5.478 3.144 ( 0.545 4.312 3.333) 5.478 3.433 ( -0.631 -5.989 0.098) 6.023 3.433 ( -0.631 5.989 0.098) 6.023 3.613 ( -3.387 -9.378 0.204) 9.973 3.613 ( -3.387 9.378 0.204) 9.973 3.706 ( -3.142 -5.471 -4.599) 7.807 3.706 ( -3.142 5.471 -4.599) 7.807 3.874 ( 7.200 -1.164 1.102) 7.377 3.874 ( 7.200 1.164 1.102) 7.377 4.035 ( -8.443 -3.411 0.924) 9.152 4.035 ( -8.443 3.411 0.924) 9.152 4.284 ( 1.166 -3.282 -0.099) 3.485 4.284 ( 1.166 3.282 -0.099) 3.485 4.393 ( 2.710 -2.442 0.376) 3.667 4.393 ( 2.710 2.442 0.376) 3.667 4.474 ( -2.373 -5.740 2.445) 6.675 4.474 ( -2.373 5.740 2.445) 6.675 4.745 ( 3.981 -8.790 -0.036) 9.649 4.745 ( 3.981 8.790 -0.036) 9.649 4.826 ( 1.447 -2.507 2.746) 3.990 4.826 ( 1.447 2.507 2.746) 3.990 5.031 ( -0.956 -4.807 -1.352) 5.084 5.031 ( -0.956 4.807 -1.352) 5.084 5.078 ( 3.672 -2.963 -1.771) 5.039 5.078 ( 3.672 2.963 -1.771) 5.039 5.269 ( -3.471 -7.233 1.221) 8.115 5.269 ( -3.471 7.233 1.221) 8.115 5.400 ( 1.131 -6.840 -0.057) 6.933 5.400 ( 1.131 6.840 -0.057) 6.933 5.500 ( 3.626 -4.104 -0.078) 5.477 5.500 ( 3.626 4.104 -0.078) 5.477 5.667 ( -4.318 -1.636 -1.617) 4.892 5.667 ( -4.318 1.636 -1.617) 4.892 5.856 ( 3.192 -3.419 -0.110) 4.679 5.856 ( 3.192 3.419 -0.110) 4.679 6.103 ( 0.956 -1.593 1.167) 2.194 6.103 ( 0.956 1.593 1.167) 2.194 6.137 ( -0.410 -0.331 -2.362) 2.421 6.137 ( -0.410 0.331 -2.362) 2.421 6.274 ( -3.953 -4.805 -2.002) 6.536 6.274 ( -3.953 4.805 -2.002) 6.536 6.471 ( 0.174 -1.280 3.114) 3.371 6.471 ( 0.174 1.280 3.113) 3.371 6.601 ( -1.210 -5.616 -0.670) 5.784 6.601 ( -1.210 5.616 -0.670) 5.784 6.740 ( -1.132 -4.033 1.322) 4.393 6.740 ( -1.132 4.033 1.322) 4.393 6.794 ( 0.310 -3.486 -0.666) 3.562 6.794 ( 0.310 3.486 -0.666) 3.562 6.906 ( -0.926 -4.906 -2.619) 5.638 6.906 ( -0.926 4.906 -2.619) 5.638 7.076 ( -3.256 -2.912 -0.187) 4.372 7.076 ( -3.256 2.912 -0.187) 4.372 7.205 ( 4.446 -1.913 1.868) 5.188 7.205 ( 4.446 1.913 1.868) 5.188 7.307 ( 3.336 -1.656 1.113) 3.887 7.307 ( 3.336 1.656 1.113) 3.887 7.404 ( 1.263 -2.048 -0.697) 2.505 7.404 ( 1.263 2.048 -0.697) 2.505 7.594 ( -2.414 -2.784 -1.366) 3.930 7.594 ( -2.414 2.784 -1.366) 3.930 7.701 ( 2.223 -4.143 1.739) 5.013 7.701 ( 2.223 4.143 1.739) 5.013 7.774 ( 2.997 -5.376 1.081) 6.249 7.774 ( 2.997 5.376 1.081) 6.249 7.833 ( -2.480 -5.737 1.492) 6.425 7.833 ( -2.480 5.737 1.492) 6.425 8.028 ( -2.719 -5.142 -0.454) 5.834 8.028 ( -2.719 5.142 -0.454) 5.834 8.135 ( 1.169 -1.870 0.985) 2.416 8.135 ( 1.169 1.870 0.985) 2.416 8.339 ( 1.768 -4.519 2.815) 5.610 8.339 ( 1.768 4.519 2.815) 5.610 8.408 ( 0.946 -1.909 -3.905) 4.448 8.408 ( 0.946 1.909 -3.905) 4.448 8.724 ( 2.247 -0.319 -0.714) 2.379 8.724 ( 2.247 0.319 -0.714) 2.379 8.907 ( -1.136 -4.285 -0.731) 4.493 8.907 ( -1.136 4.285 -0.731) 4.493 9.078 ( -1.560 -0.987 -1.028) 2.113 9.078 ( -1.560 0.987 -1.028) 2.113 9.463 ( 0.735 -4.149 5.553) 6.971 9.463 ( 0.735 4.149 5.553) 6.971 9.624 ( -1.792 -1.021 -3.644) 4.187 9.624 ( -1.792 1.021 -3.644) 4.187 10.154 ( -0.787 -2.200 -0.522) 2.394 10.154 ( -0.787 2.200 -0.522) 2.394 10.509 ( 0.186 -5.495 0.481) 5.519 10.509 ( 0.186 5.495 0.481) 5.519 11.197 ( -0.500 -10.946 -0.646) 10.976 11.197 ( -0.500 10.946 -0.646) 10.976 12.063 ( -0.319 -6.170 0.661) 6.213 12.063 ( -0.319 6.170 0.661) 6.213 12.384 ( -1.845 -3.101 -1.916) 4.085 12.384 ( -1.845 3.101 -1.916) 4.085 12.992 ( 0.091 -9.453 0.104) 9.454 12.992 ( 0.091 9.453 0.104) 9.454 15.340 ( -0.277 -2.438 0.196) 2.461 15.340 ( -0.277 2.438 0.196) 2.461 16.018 ( -0.480 -3.331 -0.803) 3.460 16.018 ( -0.480 3.331 -0.803) 3.460 16.793 ( -0.788 -0.967 -0.313) 1.286 16.793 ( -0.788 0.967 -0.313) 1.286 17.271 ( 0.434 -2.282 0.074) 2.324 17.271 ( 0.434 2.282 0.074) 2.324 17.347 ( -0.153 -0.958 0.822) 1.272 17.347 ( -0.153 0.958 0.822) 1.272 17.499 ( -0.157 -3.883 -0.592) 3.931 17.499 ( -0.157 3.883 -0.592) 3.931 17.860 ( 0.887 -0.454 -0.035) 0.997 17.860 ( 0.887 0.454 -0.035) 0.997 17.981 ( -0.480 -1.997 -0.375) 2.088 17.981 ( -0.480 1.997 -0.375) 2.088 18.241 ( -0.010 -3.718 0.389) 3.739 18.241 ( -0.010 3.718 0.389) 3.739 18.493 ( 0.269 -2.741 0.310) 2.772 18.493 ( 0.269 2.741 0.310) 2.772 20.675 ( 0.012 -0.115 -0.083) 0.142 20.675 ( 0.012 0.115 -0.083) 0.142 20.818 ( 0.115 -0.517 0.255) 0.588 20.818 ( 0.115 0.517 0.255) 0.588 21.516 ( 0.114 -0.521 0.129) 0.549 21.516 ( 0.114 0.521 0.129) 0.549 21.633 ( -0.319 -0.591 -0.022) 0.672 21.633 ( -0.319 0.591 -0.022) 0.672 27.233 ( -0.029 -1.076 -0.018) 1.076 27.233 ( -0.029 1.076 -0.018) 1.076 27.309 ( -0.109 -0.451 -0.053) 0.467 27.309 ( -0.109 0.451 -0.053) 0.467 27.643 ( -0.307 -0.108 -0.058) 0.331 27.643 ( -0.307 0.108 -0.058) 0.331 27.741 ( 0.136 -0.621 0.079) 0.641 27.741 ( 0.136 0.621 0.079) 0.641 35.206 ( 1.436 -2.896 -0.165) 3.236 35.206 ( 1.436 2.896 -0.165) 3.236 35.646 ( 3.049 -1.869 -0.537) 3.616 35.646 ( 3.049 1.869 -0.537) 3.616 35.864 ( -1.952 -0.935 1.085) 2.421 35.864 ( -1.952 0.935 1.085) 2.421 36.582 ( -0.291 -10.835 0.134) 10.839 36.582 ( -0.291 10.835 0.134) 10.839 39.263 ( 0.081 -2.398 -0.365) 2.427 39.263 ( 0.081 2.398 -0.365) 2.427 39.571 ( -1.499 -2.942 -0.698) 3.374 39.571 ( -1.499 2.942 -0.698) 3.374 40.637 ( 1.262 -1.529 1.087) 2.261 40.637 ( 1.262 1.529 1.087) 2.261 41.220 ( -0.796 -10.930 -0.615) 10.976 41.220 ( -0.796 10.930 -0.615) 10.976 ======================= Grid point 45 (16/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.612 ( -3.078 0.000 33.241) 33.383 0.619 ( -0.542 0.000 33.362) 33.366 1.144 ( 8.350 0.000 59.630) 60.212 2.387 ( -1.516 0.000 2.508) 2.931 2.518 ( 2.451 0.000 -5.992) 6.474 2.787 ( 4.763 0.000 4.776) 6.745 2.969 ( 0.983 0.000 -19.928) 19.952 2.973 ( 0.614 0.000 -19.295) 19.305 3.023 ( 2.306 0.000 -2.537) 3.429 3.325 ( 6.457 0.000 -9.383) 11.390 3.372 ( -7.801 0.000 -5.608) 9.608 3.512 ( 2.631 0.000 -0.005) 2.631 3.565 ( -13.597 0.000 -4.345) 14.275 3.675 ( 1.205 0.000 4.072) 4.246 3.753 ( -5.278 0.000 6.435) 8.323 3.861 ( -0.236 0.000 6.220) 6.225 3.946 ( -1.601 0.000 4.374) 4.658 3.957 ( 2.490 0.000 6.933) 7.366 3.979 ( -4.018 0.000 8.801) 9.675 4.017 ( 9.593 0.000 7.039) 11.898 4.132 ( -0.718 0.000 2.151) 2.268 4.217 ( -1.127 0.000 -1.308) 1.727 4.406 ( 1.944 0.000 -0.918) 2.150 4.485 ( -1.849 0.000 2.911) 3.449 4.538 ( -4.790 0.000 -2.613) 5.456 4.608 ( 7.718 0.000 -6.737) 10.245 4.622 ( 0.662 0.000 2.882) 2.957 4.764 ( 0.689 0.000 2.647) 2.735 4.907 ( -3.784 0.000 4.658) 6.001 4.946 ( -2.454 0.000 -1.198) 2.731 5.152 ( 1.308 0.000 -4.315) 4.508 5.273 ( -3.866 0.000 -12.487) 13.072 5.285 ( -2.977 0.000 6.288) 6.957 5.404 ( 3.249 0.000 -5.501) 6.389 5.545 ( -6.081 0.000 -8.863) 10.748 5.604 ( -3.561 0.000 -2.430) 4.311 5.655 ( 0.463 0.000 -1.389) 1.464 5.717 ( 4.230 0.000 -8.911) 9.864 5.757 ( -6.781 0.000 -3.735) 7.742 5.869 ( 5.406 0.000 5.205) 7.505 5.891 ( 2.950 0.000 -3.550) 4.615 5.906 ( -0.084 0.000 1.917) 1.919 5.949 ( -0.685 0.000 -2.340) 2.438 5.982 ( 2.533 0.000 6.113) 6.617 6.099 ( -4.838 0.000 1.194) 4.983 6.207 ( 1.488 0.000 4.545) 4.782 6.252 ( 0.924 0.000 -0.380) 0.999 6.329 ( -3.686 0.000 4.065) 5.488 6.417 ( 3.993 0.000 -0.629) 4.042 6.561 ( -2.726 0.000 1.293) 3.018 6.585 ( -1.635 0.000 3.478) 3.843 6.638 ( 2.385 0.000 0.454) 2.428 6.649 ( -1.678 0.000 -0.531) 1.760 6.769 ( 4.445 0.000 8.097) 9.237 6.778 ( -0.834 0.000 -1.887) 2.063 6.823 ( 1.278 0.000 1.885) 2.278 6.872 ( -3.242 0.000 2.545) 4.121 6.943 ( 1.578 0.000 0.544) 1.669 7.004 ( -0.295 0.000 -0.374) 0.477 7.118 ( -4.134 0.000 -0.901) 4.231 7.145 ( -1.390 0.000 -3.014) 3.319 7.261 ( 2.469 0.000 1.244) 2.765 7.282 ( -4.500 0.000 -2.717) 5.257 7.345 ( 1.396 0.000 -0.717) 1.569 7.390 ( 3.282 0.000 3.060) 4.487 7.459 ( -9.864 0.000 -3.693) 10.533 7.474 ( -0.764 0.000 5.357) 5.411 7.500 ( -0.533 0.000 -2.418) 2.476 7.546 ( 12.543 0.000 -3.642) 13.061 7.676 ( -5.283 0.000 6.242) 8.177 7.690 ( 5.497 0.000 2.122) 5.892 7.859 ( -3.095 0.000 -0.268) 3.107 7.861 ( 1.059 0.000 -0.207) 1.079 7.903 ( -1.786 0.000 -2.192) 2.828 7.981 ( -5.453 0.000 2.800) 6.129 8.007 ( -1.079 0.000 0.679) 1.275 8.115 ( 5.117 0.000 5.028) 7.174 8.288 ( -1.370 0.000 1.378) 1.943 8.347 ( 1.820 0.000 1.267) 2.217 8.356 ( -1.260 0.000 -0.815) 1.500 8.548 ( -1.621 0.000 1.248) 2.046 8.581 ( -1.091 0.000 -8.685) 8.753 8.631 ( -1.320 0.000 -0.428) 1.388 8.786 ( 5.266 0.000 -11.229) 12.403 8.976 ( -2.646 0.000 4.621) 5.325 8.988 ( 5.670 0.000 -2.251) 6.100 9.010 ( -2.319 0.000 0.496) 2.372 9.109 ( -1.092 0.000 4.134) 4.276 9.287 ( 4.982 0.000 -0.809) 5.047 9.412 ( 4.603 0.000 -3.222) 5.618 9.518 ( -2.710 0.000 2.545) 3.717 9.852 ( -5.317 0.000 1.341) 5.483 9.946 ( 5.958 0.000 -3.208) 6.767 10.293 ( -35.583 0.000 -7.564) 36.378 10.320 ( 2.870 0.000 2.393) 3.737 10.412 ( 26.512 0.000 1.042) 26.533 10.833 ( -0.545 0.000 4.654) 4.685 11.351 ( 3.555 0.000 -6.372) 7.297 11.654 ( -6.400 0.000 9.914) 11.800 12.255 ( -11.738 0.000 2.253) 11.953 12.397 ( 2.878 0.000 -3.780) 4.751 12.446 ( -1.085 0.000 -2.107) 2.370 13.304 ( -1.700 0.000 3.279) 3.694 13.559 ( -33.678 0.000 -2.380) 33.762 14.927 ( -0.958 0.000 2.914) 3.068 15.631 ( 30.316 0.000 -12.620) 32.838 15.871 ( -0.286 0.000 -0.344) 0.447 15.956 ( 0.799 0.000 1.841) 2.007 16.945 ( -2.253 0.000 3.183) 3.900 16.998 ( -2.953 0.000 1.673) 3.394 17.120 ( 0.296 0.000 -0.539) 0.614 17.197 ( 0.889 0.000 -1.350) 1.616 17.272 ( -0.278 0.000 0.833) 0.878 17.306 ( -0.953 0.000 1.210) 1.540 17.600 ( -0.083 0.000 0.665) 0.670 17.693 ( -7.091 0.000 -0.258) 7.096 17.865 ( 1.881 0.000 -2.902) 3.458 17.957 ( 3.476 0.000 -3.455) 4.901 17.989 ( 1.164 0.000 3.123) 3.333 18.171 ( -0.620 0.000 -0.883) 1.078 18.378 ( -2.994 0.000 -1.264) 3.250 18.545 ( 1.690 0.000 -4.762) 5.053 18.557 ( 1.492 0.000 4.656) 4.889 18.772 ( 0.839 0.000 1.429) 1.658 20.756 ( 0.732 0.000 0.349) 0.810 20.761 ( -0.798 0.000 0.317) 0.859 20.829 ( -0.321 0.000 1.582) 1.614 21.049 ( 9.371 0.000 -2.145) 9.614 21.483 ( -0.070 0.000 1.117) 1.119 21.484 ( -2.135 0.000 0.300) 2.156 21.538 ( -0.022 0.000 -0.744) 0.744 21.553 ( 0.659 0.000 -0.025) 0.659 27.243 ( 0.272 0.000 0.363) 0.454 27.255 ( -1.396 0.000 0.386) 1.448 27.283 ( -0.077 0.000 -0.353) 0.361 27.325 ( 5.694 0.000 -0.714) 5.739 27.589 ( -0.114 0.000 0.107) 0.156 27.617 ( -0.104 0.000 -0.618) 0.627 27.664 ( -1.612 0.000 0.509) 1.690 27.673 ( -0.120 0.000 0.600) 0.611 35.043 ( -2.489 0.000 0.123) 2.492 35.104 ( 10.570 0.000 -1.004) 10.618 35.441 ( 0.092 0.000 3.102) 3.103 35.568 ( -2.056 0.000 1.907) 2.805 36.050 ( 1.194 0.000 -1.299) 1.765 36.132 ( 4.112 0.000 -5.895) 7.188 36.383 ( -0.229 0.000 6.638) 6.642 36.626 ( -1.578 0.000 -0.108) 1.582 39.216 ( -4.112 0.000 6.884) 8.018 39.662 ( 4.251 0.000 2.549) 4.957 39.901 ( -28.278 0.000 -0.077) 28.278 39.967 ( 4.518 0.000 -4.733) 6.543 40.282 ( -3.651 0.000 -1.302) 3.876 40.389 ( -6.634 0.000 -4.067) 7.781 41.012 ( -1.212 0.000 3.422) 3.630 41.369 ( -1.362 0.000 -2.722) 3.043 ======================= Grid point 46 (17/80) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.121 ( 16.152 0.000 25.614) 30.281 1.201 ( 24.452 0.000 24.234) 34.427 2.019 ( 21.535 0.000 34.402) 40.586 2.428 ( 3.096 0.000 5.043) 5.917 2.468 ( -0.603 0.000 -6.212) 6.241 2.770 ( -1.657 0.000 -17.002) 17.083 2.891 ( 8.116 0.000 -17.014) 18.851 2.912 ( -0.249 0.000 -0.918) 0.951 2.956 ( -12.565 0.000 -3.823) 13.133 3.075 ( -2.481 0.000 -2.524) 3.539 3.206 ( -8.671 0.000 -1.575) 8.813 3.332 ( 0.922 0.000 -8.150) 8.202 3.636 ( -6.749 0.000 4.508) 8.116 3.663 ( -7.917 0.000 6.390) 10.174 3.736 ( 11.589 0.000 1.022) 11.634 3.879 ( -4.784 0.000 5.227) 7.086 3.895 ( -6.277 0.000 7.157) 9.520 4.005 ( -5.611 0.000 7.916) 9.703 4.079 ( 0.964 0.000 -0.252) 0.997 4.130 ( 1.349 0.000 1.208) 1.811 4.196 ( 1.526 0.000 1.310) 2.011 4.207 ( 1.779 0.000 -3.809) 4.204 4.444 ( -2.161 0.000 -3.532) 4.141 4.569 ( 10.536 0.000 3.036) 10.964 4.592 ( 7.300 0.000 -1.533) 7.460 4.624 ( 2.492 0.000 -4.038) 4.745 4.677 ( 11.217 0.000 -0.142) 11.218 4.844 ( 0.820 0.000 5.232) 5.296 4.903 ( -0.899 0.000 0.737) 1.163 4.998 ( -8.517 0.000 -10.358) 13.410 5.023 ( 4.908 0.000 2.922) 5.712 5.185 ( 7.041 0.000 0.163) 7.043 5.289 ( -8.807 0.000 -7.985) 11.888 5.298 ( -2.111 0.000 5.351) 5.753 5.370 ( -6.479 0.000 -6.149) 8.932 5.547 ( -4.978 0.000 -3.224) 5.931 5.573 ( 0.264 0.000 -5.249) 5.256 5.584 ( -5.302 0.000 -1.821) 5.606 5.714 ( 2.635 0.000 -2.834) 3.870 5.797 ( -12.020 0.000 3.010) 12.391 5.908 ( 2.385 0.000 -3.803) 4.489 5.913 ( -1.423 0.000 0.880) 1.673 5.946 ( 2.042 0.000 -1.970) 2.837 6.004 ( -1.230 0.000 0.352) 1.279 6.070 ( 3.730 0.000 -1.580) 4.051 6.281 ( -5.082 0.000 1.912) 5.430 6.282 ( 1.777 0.000 3.191) 3.653 6.386 ( 2.232 0.000 6.775) 7.133 6.412 ( -7.438 0.000 1.216) 7.537 6.480 ( -2.126 0.000 1.606) 2.664 6.564 ( -0.596 0.000 2.871) 2.932 6.642 ( -0.196 0.000 0.017) 0.197 6.757 ( 1.852 0.000 2.266) 2.926 6.777 ( 0.600 0.000 1.020) 1.183 6.780 ( -0.596 0.000 1.906) 1.997 6.885 ( -0.426 0.000 1.613) 1.668 6.934 ( 5.442 0.000 5.182) 7.514 6.962 ( 1.134 0.000 -2.909) 3.123 6.986 ( -0.165 0.000 -0.078) 0.183 7.088 ( 1.264 0.000 1.324) 1.831 7.102 ( 1.446 0.000 -6.403) 6.564 7.205 ( -1.128 0.000 -1.657) 2.005 7.224 ( -9.481 0.000 -0.119) 9.482 7.265 ( -1.986 0.000 -0.297) 2.008 7.391 ( 3.431 0.000 2.182) 4.066 7.419 ( -0.996 0.000 1.318) 1.652 7.479 ( -1.717 0.000 1.831) 2.510 7.596 ( 4.752 0.000 3.945) 6.176 7.717 ( -0.207 0.000 12.188) 12.190 7.767 ( -5.382 0.000 -0.367) 5.395 7.790 ( 14.338 0.000 -5.462) 15.343 7.842 ( 0.195 0.000 0.479) 0.517 7.876 ( -7.392 0.000 -1.709) 7.587 7.891 ( 9.185 0.000 -2.381) 9.489 7.929 ( 5.426 0.000 -1.076) 5.532 7.955 ( -4.439 0.000 3.599) 5.715 8.242 ( 3.057 0.000 1.081) 3.243 8.296 ( -3.494 0.000 1.075) 3.656 8.342 ( 3.988 0.000 4.940) 6.349 8.383 ( -2.087 0.000 -4.683) 5.127 8.522 ( 5.683 0.000 -0.205) 5.686 8.545 ( -2.570 0.000 -0.981) 2.751 8.561 ( 1.429 0.000 2.154) 2.585 8.748 ( 1.245 0.000 -11.620) 11.687 8.854 ( -7.443 0.000 -1.651) 7.624 8.955 ( -6.472 0.000 -1.909) 6.748 9.008 ( -8.294 0.000 5.874) 10.163 9.051 ( -1.290 0.000 -0.701) 1.468 9.389 ( 3.636 0.000 1.014) 3.774 9.428 ( -0.569 0.000 -2.140) 2.215 9.478 ( -3.450 0.000 1.903) 3.940 9.830 ( -0.350 0.000 4.245) 4.260 9.843 ( -8.099 0.000 -0.255) 8.103 10.121 ( 12.295 0.000 -5.824) 13.605 10.393 ( 1.767 0.000 2.624) 3.164 10.665 ( 8.436 0.000 -11.026) 13.883 10.924 ( 7.653 0.000 -2.377) 8.014 11.345 ( 2.590 0.000 -6.525) 7.020 11.618 ( -7.102 0.000 9.754) 12.066 12.195 ( -6.474 0.000 16.568) 17.788 12.416 ( 1.018 0.000 -3.221) 3.378 12.427 ( 3.256 0.000 -2.508) 4.110 13.111 ( -18.354 0.000 6.102) 19.342 13.305 ( -2.298 0.000 4.613) 5.154 14.902 ( -3.813 0.000 1.935) 4.276 15.714 ( 2.549 0.000 -13.549) 13.787 15.871 ( 0.135 0.000 0.538) 0.555 15.922 ( -2.441 0.000 0.791) 2.566 16.903 ( -3.840 0.000 2.143) 4.398 16.972 ( -2.124 0.000 4.335) 4.827 17.037 ( -4.855 0.000 -0.764) 4.914 17.259 ( 3.787 0.000 -0.740) 3.858 17.288 ( 0.775 0.000 0.959) 1.233 17.355 ( 4.533 0.000 0.465) 4.557 17.582 ( -2.517 0.000 0.708) 2.614 17.633 ( -1.541 0.000 -0.435) 1.601 17.887 ( 2.702 0.000 -2.533) 3.703 17.999 ( -1.649 0.000 1.367) 2.142 18.010 ( 4.911 0.000 -2.655) 5.583 18.131 ( -2.312 0.000 -0.943) 2.497 18.315 ( -2.888 0.000 0.402) 2.916 18.547 ( 3.782 0.000 -5.633) 6.785 18.632 ( 1.839 0.000 3.001) 3.520 18.825 ( 2.773 0.000 1.520) 3.162 20.746 ( -0.874 0.000 -0.254) 0.910 20.777 ( 0.850 0.000 0.590) 1.034 20.833 ( -1.111 0.000 1.554) 1.910 20.973 ( -7.264 0.000 1.600) 7.438 21.454 ( -1.185 0.000 0.985) 1.541 21.497 ( 0.185 0.000 0.700) 0.724 21.531 ( -0.031 0.000 -0.546) 0.547 21.563 ( 0.478 0.000 -0.216) 0.525 27.206 ( -2.338 0.000 0.281) 2.355 27.274 ( 1.195 0.000 0.045) 1.196 27.282 ( 0.619 0.000 -0.644) 0.893 27.371 ( 0.580 0.000 -0.847) 1.026 27.591 ( 0.113 0.000 0.133) 0.174 27.612 ( 0.268 0.000 -0.580) 0.639 27.657 ( -0.290 0.000 0.602) 0.668 27.669 ( -0.852 0.000 0.510) 0.993 35.021 ( 0.704 0.000 -0.511) 0.870 35.429 ( 18.706 0.000 -11.466) 21.940 35.480 ( -0.115 0.000 3.386) 3.388 35.549 ( -1.009 0.000 1.730) 2.003 36.048 ( 0.163 0.000 -1.248) 1.259 36.100 ( -0.876 0.000 -5.160) 5.234 36.485 ( 2.404 0.000 5.811) 6.288 36.578 ( -2.219 0.000 -1.151) 2.499 39.169 ( -7.262 0.000 7.299) 10.296 39.449 ( -12.870 0.000 8.996) 15.702 39.812 ( 6.245 0.000 5.427) 8.274 40.051 ( 6.100 0.000 -2.013) 6.423 40.164 ( -4.161 0.000 -4.498) 6.128 40.614 ( 16.096 0.000 -9.604) 18.743 41.047 ( -0.486 0.000 5.171) 5.194 41.285 ( -3.195 0.000 -3.761) 4.935 ======================= Grid point 47 (18/80) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.531 ( -0.357 0.000 12.100) 12.106 1.754 ( 1.721 0.000 15.850) 15.943 2.198 ( -4.532 0.000 -19.634) 20.150 2.397 ( 2.438 0.000 -1.375) 2.799 2.414 ( 0.536 0.000 3.000) 3.048 2.665 ( -2.389 0.000 -15.323) 15.508 2.744 ( 4.515 0.000 -14.757) 15.432 2.953 ( -3.264 0.000 28.695) 28.880 3.006 ( 11.522 0.000 -7.346) 13.664 3.072 ( 0.956 0.000 0.761) 1.222 3.211 ( 0.134 0.000 -6.914) 6.915 3.267 ( 1.787 0.000 1.487) 2.325 3.547 ( -5.298 0.000 2.645) 5.922 3.667 ( -1.693 0.000 11.729) 11.851 3.784 ( -5.971 0.000 1.832) 6.246 3.859 ( -3.392 0.000 6.129) 7.005 3.889 ( -5.631 0.000 -6.038) 8.257 3.930 ( 5.369 0.000 4.220) 6.829 4.056 ( -1.027 0.000 -0.054) 1.028 4.124 ( -2.508 0.000 -4.298) 4.977 4.218 ( 1.998 0.000 2.915) 3.534 4.233 ( 1.270 0.000 1.062) 1.656 4.441 ( 0.880 0.000 5.074) 5.149 4.645 ( -0.208 0.000 -6.588) 6.591 4.649 ( 2.531 0.000 -8.066) 8.454 4.687 ( 3.738 0.000 0.874) 3.839 4.818 ( 4.188 0.000 -2.227) 4.744 4.831 ( -2.718 0.000 -2.430) 3.646 4.979 ( -7.639 0.000 0.968) 7.700 5.018 ( 10.514 0.000 0.338) 10.519 5.022 ( 6.924 0.000 0.409) 6.936 5.129 ( 1.766 0.000 6.586) 6.819 5.189 ( -3.397 0.000 -0.181) 3.402 5.218 ( -5.158 0.000 -2.870) 5.903 5.322 ( -0.537 0.000 2.060) 2.129 5.495 ( 2.031 0.000 -1.693) 2.644 5.529 ( -3.409 0.000 8.448) 9.110 5.575 ( -8.154 0.000 -2.547) 8.542 5.632 ( 5.734 0.000 -0.638) 5.769 5.708 ( -1.795 0.000 -4.131) 4.504 5.844 ( 0.583 0.000 -11.362) 11.377 5.856 ( -1.289 0.000 -0.174) 1.301 6.041 ( 9.760 0.000 -0.943) 9.805 6.072 ( 3.931 0.000 5.434) 6.707 6.165 ( -3.703 0.000 -0.735) 3.775 6.172 ( 5.262 0.000 0.087) 5.263 6.262 ( -4.330 0.000 1.007) 4.446 6.355 ( -1.425 0.000 1.651) 2.181 6.419 ( -3.220 0.000 2.964) 4.377 6.489 ( -7.862 0.000 0.046) 7.862 6.507 ( -3.692 0.000 5.847) 6.916 6.647 ( 0.552 0.000 0.898) 1.054 6.678 ( -2.502 0.000 2.190) 3.325 6.760 ( -5.047 0.000 1.165) 5.180 6.823 ( -2.459 0.000 1.716) 2.999 6.944 ( 0.996 0.000 -0.160) 1.008 6.952 ( 3.781 0.000 -1.198) 3.966 7.024 ( 2.221 0.000 -1.188) 2.519 7.029 ( -0.279 0.000 0.505) 0.578 7.064 ( 1.381 0.000 -4.613) 4.815 7.119 ( -0.597 0.000 1.848) 1.942 7.150 ( 2.199 0.000 0.194) 2.207 7.261 ( 1.531 0.000 0.789) 1.723 7.264 ( 5.613 0.000 2.147) 6.009 7.407 ( -0.545 0.000 1.226) 1.342 7.442 ( -2.353 0.000 -1.011) 2.561 7.481 ( 0.645 0.000 2.326) 2.414 7.600 ( -7.899 0.000 2.627) 8.325 7.684 ( -2.261 0.000 -1.857) 2.926 7.757 ( -0.362 0.000 6.378) 6.389 7.780 ( 0.020 0.000 -2.931) 2.931 7.801 ( -4.473 0.000 -5.267) 6.910 7.848 ( -0.257 0.000 5.803) 5.808 8.004 ( 5.349 0.000 -6.297) 8.262 8.054 ( 5.196 0.000 2.194) 5.640 8.092 ( 8.681 0.000 -3.238) 9.265 8.269 ( -0.943 0.000 1.702) 1.945 8.294 ( 2.282 0.000 3.468) 4.152 8.327 ( 1.603 0.000 2.343) 2.839 8.414 ( -0.828 0.000 -3.255) 3.358 8.499 ( -1.591 0.000 -1.500) 2.186 8.557 ( -9.701 0.000 -5.115) 10.967 8.605 ( 1.365 0.000 -0.516) 1.459 8.629 ( 3.626 0.000 -6.090) 7.087 8.771 ( 0.187 0.000 6.142) 6.145 8.800 ( -5.807 0.000 -0.136) 5.809 8.895 ( -1.781 0.000 -3.502) 3.929 9.069 ( 0.122 0.000 2.725) 2.728 9.367 ( -0.956 0.000 -5.492) 5.575 9.436 ( 0.814 0.000 0.614) 1.020 9.444 ( -2.234 0.000 3.244) 3.938 9.780 ( -0.293 0.000 -0.614) 0.680 9.898 ( 0.002 0.000 9.200) 9.200 10.235 ( 6.032 0.000 -10.933) 12.486 10.413 ( -1.544 0.000 -0.339) 1.581 10.696 ( 4.371 0.000 -3.077) 5.345 11.023 ( 8.512 0.000 -8.474) 12.011 11.324 ( 2.229 0.000 -6.319) 6.701 11.601 ( -5.010 0.000 10.350) 11.499 12.281 ( -4.437 0.000 18.828) 19.343 12.426 ( 2.573 0.000 -1.764) 3.120 12.481 ( 0.657 0.000 8.012) 8.039 12.885 ( -8.994 0.000 -0.767) 9.026 13.310 ( -2.899 0.000 6.178) 6.825 14.845 ( -2.541 0.000 0.177) 2.547 15.599 ( 0.740 0.000 -13.757) 13.777 15.884 ( -0.089 0.000 1.714) 1.716 15.911 ( 0.019 0.000 0.515) 0.515 16.867 ( -1.750 0.000 1.655) 2.409 16.964 ( -1.696 0.000 -0.558) 1.785 16.978 ( -2.035 0.000 4.495) 4.934 17.308 ( -0.116 0.000 0.985) 0.992 17.317 ( 2.452 0.000 0.068) 2.453 17.437 ( 3.753 0.000 -1.465) 4.028 17.523 ( -3.861 0.000 0.567) 3.902 17.609 ( 0.168 0.000 -0.751) 0.770 17.912 ( 1.697 0.000 -1.059) 2.000 17.979 ( -1.473 0.000 1.322) 1.979 18.073 ( 0.504 0.000 -2.788) 2.833 18.083 ( 1.974 0.000 -0.584) 2.059 18.282 ( -1.840 0.000 2.656) 3.231 18.562 ( 3.715 0.000 -6.373) 7.377 18.669 ( -0.305 0.000 0.805) 0.861 18.870 ( 0.768 0.000 -0.548) 0.943 20.724 ( -0.777 0.000 -0.975) 1.247 20.796 ( 0.607 0.000 0.397) 0.725 20.813 ( -1.855 0.000 0.086) 1.857 20.877 ( -4.298 0.000 0.505) 4.327 21.450 ( -0.399 0.000 1.019) 1.095 21.503 ( -0.173 0.000 0.357) 0.397 21.527 ( 0.168 0.000 -0.376) 0.411 21.565 ( 0.163 0.000 -0.684) 0.703 27.179 ( -0.838 0.000 0.552) 1.004 27.292 ( 1.061 0.000 -0.913) 1.400 27.293 ( 0.610 0.000 0.280) 0.671 27.359 ( -0.981 0.000 -0.332) 1.036 27.595 ( 0.101 0.000 0.187) 0.212 27.619 ( 0.879 0.000 -0.268) 0.919 27.654 ( -1.107 0.000 0.401) 1.178 27.658 ( -0.141 0.000 0.592) 0.609 35.056 ( 1.921 0.000 1.424) 2.392 35.489 ( -1.902 0.000 2.467) 3.114 35.515 ( 1.712 0.000 -2.715) 3.210 35.640 ( 7.916 0.000 -1.696) 8.096 36.027 ( -0.313 0.000 -6.264) 6.272 36.036 ( 0.213 0.000 -2.182) 2.192 36.546 ( 0.002 0.000 -0.045) 0.046 36.554 ( -0.827 0.000 4.538) 4.613 39.138 ( -3.624 0.000 7.598) 8.418 39.382 ( -4.108 0.000 5.336) 6.734 39.908 ( -2.278 0.000 -7.005) 7.366 40.012 ( 0.972 0.000 2.099) 2.313 40.206 ( 3.970 0.000 1.857) 4.382 40.767 ( 10.055 0.000 -7.855) 12.759 41.094 ( -1.180 0.000 7.827) 7.916 41.223 ( 0.467 0.000 -0.974) 1.080 ======================= Grid point 48 (19/80) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.259 ( -28.408 0.000 1.870) 28.469 1.284 ( -32.414 0.000 -15.642) 35.990 2.023 ( -27.484 0.000 3.129) 27.661 2.422 ( -2.246 0.000 4.585) 5.106 2.499 ( 3.812 0.000 -9.219) 9.976 2.689 ( 9.836 0.000 1.222) 9.911 2.738 ( 12.167 0.000 -13.975) 18.530 3.052 ( 4.847 0.000 -3.898) 6.219 3.053 ( 3.257 0.000 10.460) 10.955 3.130 ( 3.100 0.000 3.577) 4.733 3.280 ( 8.590 0.000 -0.038) 8.590 3.324 ( 4.483 0.000 -0.490) 4.510 3.457 ( -5.882 0.000 -0.806) 5.937 3.656 ( -2.907 0.000 -10.590) 10.982 3.707 ( -6.847 0.000 6.916) 9.732 3.843 ( 0.666 0.000 7.745) 7.774 3.870 ( -1.982 0.000 4.770) 5.165 3.989 ( -5.637 0.000 6.924) 8.929 4.097 ( 4.963 0.000 0.604) 4.999 4.099 ( 3.604 0.000 1.445) 3.883 4.194 ( -6.348 0.000 -2.800) 6.938 4.237 ( -2.533 0.000 -0.026) 2.533 4.494 ( -0.348 0.000 0.345) 0.490 4.569 ( -2.624 0.000 -4.832) 5.498 4.588 ( -1.916 0.000 -0.715) 2.045 4.669 ( -4.695 0.000 -6.003) 7.621 4.750 ( 1.477 0.000 0.568) 1.583 4.872 ( 2.505 0.000 -1.891) 3.139 4.990 ( -9.454 0.000 1.092) 9.517 5.081 ( 9.085 0.000 8.096) 12.169 5.167 ( -0.324 0.000 -1.243) 1.285 5.199 ( 10.487 0.000 -0.515) 10.500 5.222 ( -2.317 0.000 4.642) 5.188 5.275 ( 6.554 0.000 3.128) 7.262 5.288 ( -2.468 0.000 0.669) 2.557 5.464 ( 3.995 0.000 -0.662) 4.049 5.494 ( 1.528 0.000 0.225) 1.545 5.597 ( 6.899 0.000 -0.291) 6.905 5.712 ( 2.158 0.000 -0.139) 2.162 5.756 ( 2.259 0.000 -10.731) 10.967 5.817 ( 8.024 0.000 7.710) 11.128 5.829 ( -0.780 0.000 -2.811) 2.917 6.102 ( -4.410 0.000 1.689) 4.723 6.180 ( -4.743 0.000 4.032) 6.226 6.197 ( 3.547 0.000 0.871) 3.652 6.239 ( 1.901 0.000 -2.353) 3.025 6.254 ( -1.348 0.000 -1.900) 2.329 6.293 ( 4.830 0.000 0.957) 4.924 6.346 ( -5.638 0.000 5.681) 8.004 6.425 ( 2.887 0.000 -1.799) 3.401 6.467 ( -3.694 0.000 1.599) 4.025 6.659 ( -0.634 0.000 -0.997) 1.181 6.682 ( 0.762 0.000 0.507) 0.915 6.696 ( 0.598 0.000 -0.108) 0.608 6.770 ( -3.523 0.000 -0.403) 3.546 6.902 ( -4.733 0.000 -1.012) 4.840 6.973 ( 1.226 0.000 -1.377) 1.844 7.019 ( -3.357 0.000 -1.576) 3.708 7.035 ( -0.825 0.000 2.461) 2.596 7.073 ( 1.023 0.000 -1.867) 2.128 7.125 ( 0.745 0.000 7.725) 7.761 7.231 ( 4.090 0.000 1.679) 4.422 7.316 ( 1.865 0.000 2.346) 2.997 7.322 ( -6.851 0.000 1.213) 6.958 7.362 ( 1.434 0.000 4.774) 4.985 7.378 ( -2.456 0.000 -2.899) 3.799 7.409 ( -6.498 0.000 -1.073) 6.585 7.580 ( 0.654 0.000 1.014) 1.207 7.647 ( -2.162 0.000 -10.326) 10.550 7.696 ( 3.732 0.000 -0.520) 3.768 7.804 ( 3.267 0.000 -2.946) 4.398 7.809 ( -4.603 0.000 6.750) 8.169 7.876 ( 1.318 0.000 1.411) 1.930 7.974 ( -0.960 0.000 -2.895) 3.050 8.099 ( -2.312 0.000 7.453) 7.803 8.125 ( -3.050 0.000 -7.277) 7.891 8.218 ( -8.038 0.000 2.415) 8.393 8.271 ( -1.290 0.000 -7.569) 7.679 8.274 ( -1.475 0.000 2.920) 3.271 8.415 ( -0.215 0.000 -0.543) 0.584 8.471 ( 0.166 0.000 -3.131) 3.135 8.558 ( -3.614 0.000 -3.190) 4.820 8.574 ( 8.517 0.000 8.873) 12.299 8.649 ( 4.827 0.000 -6.589) 8.168 8.821 ( 6.953 0.000 0.222) 6.957 8.849 ( 2.335 0.000 -2.555) 3.462 8.892 ( 4.004 0.000 2.398) 4.667 9.083 ( -1.124 0.000 1.545) 1.911 9.298 ( 0.271 0.000 -6.750) 6.756 9.445 ( 0.674 0.000 -1.644) 1.777 9.469 ( 0.058 0.000 5.082) 5.082 9.793 ( 0.961 0.000 2.761) 2.924 9.990 ( -2.943 0.000 12.882) 13.214 10.132 ( -2.362 0.000 -13.243) 13.452 10.326 ( -3.521 0.000 -5.624) 6.635 10.763 ( 2.258 0.000 1.914) 2.960 11.077 ( 7.822 0.000 -12.995) 15.168 11.318 ( 3.649 0.000 -5.764) 6.822 11.625 ( -3.857 0.000 10.599) 11.279 12.347 ( 0.397 0.000 2.101) 2.138 12.466 ( 1.829 0.000 0.323) 1.858 12.634 ( -12.233 0.000 32.758) 34.967 12.798 ( 6.786 0.000 2.307) 7.167 13.313 ( -3.162 0.000 5.734) 6.549 14.833 ( 1.255 0.000 0.206) 1.272 15.466 ( 1.933 0.000 -19.718) 19.812 15.894 ( -0.717 0.000 1.451) 1.619 15.919 ( 0.001 0.000 0.507) 0.507 16.873 ( 0.566 0.000 1.682) 1.775 16.967 ( 2.406 0.000 -0.459) 2.449 16.979 ( -2.753 0.000 4.725) 5.469 17.298 ( -1.540 0.000 0.651) 1.672 17.331 ( -1.936 0.000 0.778) 2.087 17.413 ( -2.900 0.000 -2.199) 3.639 17.522 ( 2.682 0.000 0.274) 2.696 17.639 ( 2.987 0.000 0.548) 3.037 17.922 ( -0.153 0.000 0.189) 0.243 17.980 ( 0.413 0.000 0.712) 0.823 18.015 ( -1.701 0.000 -3.400) 3.802 18.138 ( 2.911 0.000 -1.023) 3.086 18.313 ( 1.016 0.000 5.083) 5.184 18.559 ( 2.114 0.000 -4.676) 5.132 18.631 ( -3.287 0.000 -1.259) 3.520 18.835 ( -2.155 0.000 -3.477) 4.091 20.695 ( -0.782 0.000 -2.083) 2.224 20.773 ( -1.351 0.000 -1.151) 1.775 20.809 ( 0.301 0.000 0.446) 0.539 20.812 ( -2.749 0.000 -0.112) 2.751 21.458 ( 0.061 0.000 1.106) 1.107 21.498 ( -0.510 0.000 0.206) 0.550 21.530 ( 0.481 0.000 -0.219) 0.529 21.558 ( -0.005 0.000 -0.987) 0.987 27.186 ( 0.693 0.000 0.921) 1.153 27.300 ( 0.674 0.000 -1.100) 1.290 27.300 ( -0.446 0.000 0.624) 0.767 27.333 ( -0.928 0.000 -0.982) 1.351 27.596 ( -0.209 0.000 0.245) 0.322 27.636 ( 0.432 0.000 -0.627) 0.761 27.641 ( -0.074 0.000 0.941) 0.944 27.666 ( 0.331 0.000 0.698) 0.772 35.094 ( -0.905 0.000 3.445) 3.562 35.468 ( -2.332 0.000 1.577) 2.816 35.524 ( 1.499 0.000 -1.421) 2.065 35.724 ( 0.627 0.000 -1.160) 1.319 35.993 ( 6.045 0.000 -9.062) 10.893 36.018 ( 1.125 0.000 -2.966) 3.172 36.539 ( -4.420 0.000 2.304) 4.984 36.578 ( 2.038 0.000 1.660) 2.629 39.169 ( -1.733 0.000 7.747) 7.939 39.388 ( -2.013 0.000 9.508) 9.719 39.736 ( -4.859 0.000 -7.103) 8.607 40.044 ( 1.297 0.000 -5.824) 5.966 40.274 ( -0.101 0.000 6.116) 6.117 40.856 ( 6.778 0.000 -6.032) 9.073 41.168 ( -0.282 0.000 10.275) 10.279 41.286 ( 4.405 0.000 1.865) 4.783 ======================= Grid point 49 (20/80) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.588 ( -27.058 0.000 10.263) 28.939 0.722 ( -31.273 0.000 13.344) 34.001 1.270 ( -53.477 0.000 21.429) 57.611 2.408 ( -3.516 0.000 4.006) 5.330 2.496 ( 6.722 0.000 -9.905) 11.971 2.731 ( -1.688 0.000 1.477) 2.243 2.904 ( 14.827 0.000 -9.492) 17.605 3.142 ( 1.836 0.000 -11.577) 11.722 3.204 ( -2.103 0.000 -10.457) 10.666 3.263 ( 3.972 0.000 4.511) 6.011 3.263 ( 7.353 0.000 -8.804) 11.471 3.470 ( 8.901 0.000 7.051) 11.355 3.524 ( 13.538 0.000 4.071) 14.137 3.636 ( 10.254 0.000 0.088) 10.255 3.724 ( -2.430 0.000 10.327) 10.609 3.773 ( -12.293 0.000 -1.626) 12.400 3.870 ( -3.713 0.000 7.618) 8.475 3.947 ( -2.859 0.000 2.843) 4.032 4.042 ( -6.310 0.000 3.101) 7.031 4.083 ( -9.510 0.000 -4.216) 10.402 4.200 ( 2.485 0.000 2.189) 3.312 4.231 ( -1.060 0.000 1.911) 2.185 4.443 ( 0.984 0.000 1.691) 1.957 4.500 ( -1.970 0.000 0.319) 1.996 4.502 ( -5.463 0.000 -5.073) 7.456 4.569 ( -1.249 0.000 4.746) 4.907 4.752 ( -7.922 0.000 -4.873) 9.300 4.765 ( -0.011 0.000 -1.014) 1.014 4.966 ( 0.534 0.000 -0.141) 0.552 5.057 ( -10.687 0.000 3.051) 11.114 5.154 ( -0.613 0.000 -0.428) 0.748 5.292 ( -2.999 0.000 5.448) 6.219 5.341 ( 6.349 0.000 -4.540) 7.805 5.376 ( 13.194 0.000 -4.742) 14.020 5.501 ( 12.952 0.000 8.170) 15.313 5.585 ( 6.867 0.000 2.265) 7.231 5.624 ( 8.632 0.000 -5.528) 10.250 5.680 ( 0.123 0.000 -3.953) 3.954 5.702 ( -0.271 0.000 -0.471) 0.544 5.761 ( 5.868 0.000 0.517) 5.891 5.822 ( 4.021 0.000 -1.510) 4.296 5.943 ( -10.391 0.000 -2.972) 10.808 5.992 ( -0.955 0.000 2.488) 2.665 6.096 ( -5.373 0.000 -7.528) 9.248 6.151 ( -2.197 0.000 -3.866) 4.447 6.160 ( -2.200 0.000 4.581) 5.082 6.231 ( -0.178 0.000 1.199) 1.212 6.374 ( 2.429 0.000 -1.704) 2.967 6.388 ( -3.820 0.000 9.362) 10.111 6.485 ( 6.779 0.000 1.471) 6.937 6.525 ( 3.937 0.000 2.343) 4.581 6.668 ( -0.687 0.000 -3.901) 3.961 6.685 ( -1.114 0.000 1.436) 1.818 6.698 ( -2.972 0.000 -0.145) 2.975 6.741 ( 6.399 0.000 -0.460) 6.416 6.797 ( -4.887 0.000 1.147) 5.020 6.949 ( -3.029 0.000 -0.459) 3.064 6.960 ( -4.390 0.000 3.356) 5.526 7.018 ( -0.150 0.000 -0.532) 0.553 7.117 ( 6.117 0.000 -1.139) 6.222 7.171 ( -4.225 0.000 5.764) 7.147 7.258 ( -5.269 0.000 -0.679) 5.313 7.314 ( 2.286 0.000 1.129) 2.550 7.321 ( 1.269 0.000 -2.130) 2.479 7.330 ( 1.028 0.000 5.440) 5.536 7.406 ( 4.542 0.000 0.559) 4.576 7.438 ( 1.365 0.000 3.548) 3.801 7.555 ( 0.951 0.000 -5.292) 5.377 7.600 ( -7.525 0.000 -0.809) 7.568 7.641 ( 2.368 0.000 3.053) 3.864 7.761 ( -5.285 0.000 -6.308) 8.229 7.814 ( 1.913 0.000 -0.046) 1.914 7.910 ( 0.136 0.000 1.130) 1.138 7.919 ( 1.423 0.000 -2.033) 2.481 8.019 ( -0.540 0.000 -3.864) 3.902 8.085 ( -6.067 0.000 3.005) 6.770 8.199 ( -10.104 0.000 -4.372) 11.010 8.272 ( 9.275 0.000 16.987) 19.354 8.279 ( 0.813 0.000 1.543) 1.744 8.362 ( -3.520 0.000 0.551) 3.563 8.390 ( -1.902 0.000 2.020) 2.775 8.536 ( 2.402 0.000 -0.672) 2.494 8.647 ( 2.887 0.000 -7.529) 8.064 8.784 ( 4.911 0.000 -3.260) 5.894 8.890 ( 5.861 0.000 -0.015) 5.861 8.947 ( 6.102 0.000 -4.765) 7.742 9.009 ( 4.429 0.000 3.604) 5.710 9.067 ( -2.434 0.000 2.419) 3.431 9.259 ( 1.833 0.000 -4.165) 4.550 9.414 ( 0.157 0.000 -6.260) 6.262 9.516 ( -0.728 0.000 4.490) 4.548 9.922 ( 6.120 0.000 15.081) 16.276 9.962 ( -2.052 0.000 -7.985) 8.244 9.976 ( -9.685 0.000 6.878) 11.879 10.258 ( 2.451 0.000 -2.603) 3.576 10.804 ( -0.427 0.000 2.490) 2.526 10.981 ( -4.581 0.000 -21.846) 22.321 11.338 ( 4.208 0.000 -5.951) 7.288 11.654 ( -4.405 0.000 10.407) 11.301 12.363 ( 3.034 0.000 -4.817) 5.693 12.480 ( -0.842 0.000 0.111) 0.849 12.539 ( -6.982 0.000 -7.452) 10.212 13.306 ( -2.282 0.000 3.716) 4.361 13.414 ( 25.031 0.000 55.573) 60.950 14.884 ( 2.259 0.000 2.006) 3.021 15.231 ( -3.257 0.000 -20.110) 20.372 15.885 ( -0.878 0.000 0.138) 0.889 15.922 ( -0.481 0.000 1.788) 1.852 16.919 ( 1.964 0.000 2.526) 3.200 16.973 ( -2.332 0.000 4.865) 5.395 17.038 ( 5.362 0.000 -0.591) 5.394 17.265 ( -4.180 0.000 -0.592) 4.221 17.278 ( -1.078 0.000 0.802) 1.344 17.347 ( -3.278 0.000 0.331) 3.295 17.575 ( 2.113 0.000 0.351) 2.142 17.723 ( 4.419 0.000 1.266) 4.596 17.922 ( -0.686 0.000 1.526) 1.673 17.959 ( 0.355 0.000 -4.259) 4.274 17.974 ( -1.619 0.000 -2.720) 3.165 18.170 ( 1.327 0.000 -0.644) 1.475 18.393 ( 1.347 0.000 3.841) 4.070 18.545 ( -3.582 0.000 -0.384) 3.602 18.562 ( 1.464 0.000 -2.135) 2.589 18.753 ( -1.232 0.000 -2.476) 2.766 20.692 ( 2.725 0.000 7.107) 7.611 20.750 ( -0.071 0.000 -0.638) 0.642 20.776 ( -1.426 0.000 0.681) 1.580 20.819 ( 0.054 0.000 0.912) 0.913 21.472 ( 0.233 0.000 0.813) 0.846 21.492 ( -0.319 0.000 0.596) 0.676 21.540 ( 0.643 0.000 -0.186) 0.669 21.548 ( -0.003 0.000 -0.841) 0.841 27.215 ( 1.328 0.000 0.702) 1.502 27.287 ( -1.648 0.000 0.738) 1.806 27.290 ( -0.280 0.000 -1.822) 1.844 27.303 ( -0.945 0.000 -1.257) 1.572 27.593 ( -0.344 0.000 0.203) 0.400 27.626 ( -0.290 0.000 -0.401) 0.495 27.662 ( 0.661 0.000 0.627) 0.911 27.680 ( 0.410 0.000 0.109) 0.425 35.087 ( -3.046 0.000 2.791) 4.131 35.437 ( -2.096 0.000 1.578) 2.624 35.485 ( -5.869 0.000 -18.955) 19.843 35.599 ( -5.876 0.000 -2.267) 6.298 36.029 ( 2.433 0.000 -2.077) 3.199 36.070 ( 8.467 0.000 -6.730) 10.816 36.434 ( -7.419 0.000 0.603) 7.443 36.627 ( 0.789 0.000 1.487) 1.684 39.204 ( -2.331 0.000 6.825) 7.212 39.582 ( 9.284 0.000 21.678) 23.582 39.628 ( -0.575 0.000 -3.115) 3.168 39.982 ( 0.346 0.000 -6.610) 6.619 40.317 ( -1.061 0.000 3.173) 3.345 40.902 ( 4.122 0.000 -7.610) 8.654 41.233 ( -3.465 0.000 -5.134) 6.194 41.372 ( 2.472 0.000 0.274) 2.487 ======================= Grid point 50 (21/80) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.413 27.501 20.691) 34.418 1.059 ( 0.987 23.018 29.508) 37.437 1.644 ( 2.237 45.899 31.977) 55.985 2.393 ( -2.620 2.204 2.231) 4.087 2.542 ( 5.394 1.401 -4.264) 7.017 2.856 ( 1.826 4.686 -0.239) 5.035 2.954 ( -0.663 0.855 -15.877) 15.914 2.976 ( 5.606 0.538 -10.457) 11.877 3.179 ( 1.362 11.868 -8.053) 14.407 3.274 ( -1.605 -1.002 -6.405) 6.679 3.462 ( -8.597 1.183 -9.497) 12.865 3.541 ( 10.922 7.594 -1.481) 13.385 3.624 ( -8.380 -0.156 -2.506) 8.748 3.688 ( -7.274 -0.987 7.541) 10.524 3.725 ( -2.047 5.018 2.514) 5.974 3.897 ( 3.055 1.317 4.557) 5.643 3.913 ( -0.514 -2.365 4.540) 5.145 3.947 ( 3.039 0.154 4.812) 5.693 4.037 ( 5.979 0.787 6.897) 9.161 4.072 ( -3.434 6.155 6.652) 9.692 4.188 ( 0.778 3.689 2.796) 4.694 4.226 ( 1.034 1.513 -0.135) 1.838 4.364 ( 0.401 -2.389 0.290) 2.439 4.493 ( -6.500 -0.451 1.466) 6.679 4.561 ( -1.222 1.260 -1.992) 2.655 4.625 ( 5.676 3.377 -6.923) 9.569 4.683 ( 0.700 2.978 6.403) 7.096 4.743 ( 3.501 0.632 2.519) 4.359 4.860 ( -2.712 -6.320 -1.195) 6.980 4.975 ( -4.211 3.252 0.120) 5.322 5.127 ( 2.993 -2.239 -4.130) 5.570 5.265 ( -0.930 -2.184 -4.117) 4.753 5.272 ( 0.576 -2.798 -3.951) 4.875 5.346 ( -2.207 -2.291 -1.502) 3.518 5.518 ( -1.757 -2.071 -7.759) 8.220 5.542 ( -3.641 -4.627 -0.193) 5.891 5.611 ( -2.306 -1.940 1.087) 3.203 5.714 ( 1.209 -4.521 -7.148) 8.544 5.750 ( -3.042 3.487 -1.746) 4.945 5.850 ( 0.426 -2.213 3.956) 4.553 5.897 ( 2.365 -0.322 -3.808) 4.494 5.910 ( -1.797 1.782 -3.108) 4.008 5.955 ( 6.644 5.150 0.297) 8.412 6.042 ( -2.849 2.072 0.736) 3.599 6.157 ( -0.902 -1.507 2.400) 2.974 6.200 ( -3.378 3.546 0.867) 4.974 6.270 ( 0.025 0.689 3.271) 3.343 6.330 ( 0.496 0.793 -1.588) 1.844 6.397 ( -3.294 -8.830 2.247) 9.689 6.477 ( 2.224 3.061 2.312) 4.434 6.643 ( 2.024 2.313 -1.255) 3.320 6.675 ( 0.112 -0.620 0.091) 0.636 6.684 ( 2.092 3.580 0.680) 4.202 6.734 ( 1.874 0.949 5.384) 5.779 6.808 ( 3.451 0.113 3.744) 5.093 6.840 ( 1.667 2.659 0.909) 3.268 6.932 ( -2.116 4.423 0.730) 4.957 6.974 ( -2.835 -0.523 1.995) 3.506 7.041 ( -1.010 -0.423 -3.450) 3.620 7.103 ( -0.214 -1.793 -2.228) 2.868 7.130 ( 0.552 -2.426 1.840) 3.095 7.144 ( -4.426 3.113 -1.823) 5.710 7.272 ( 0.638 -4.734 2.448) 5.368 7.319 ( -2.256 -5.468 0.719) 5.959 7.367 ( -1.397 -0.888 1.233) 2.064 7.424 ( 0.109 0.688 1.726) 1.862 7.490 ( -2.719 0.476 -0.089) 2.761 7.528 ( 1.464 0.470 0.204) 1.551 7.583 ( 2.683 2.325 0.904) 3.664 7.658 ( 2.143 1.638 1.872) 3.283 7.719 ( 2.425 -1.322 1.957) 3.385 7.779 ( -0.211 0.794 1.629) 1.824 7.843 ( 4.095 -1.270 -1.570) 4.566 7.917 ( -6.142 -0.813 1.214) 6.314 7.973 ( 2.158 1.232 -0.791) 2.607 8.035 ( -1.527 -1.783 1.293) 2.680 8.097 ( 3.144 -1.388 5.179) 6.216 8.169 ( -1.107 -6.127 8.939) 10.893 8.390 ( 0.253 3.871 -1.097) 4.032 8.415 ( -1.871 3.413 -5.017) 6.350 8.520 ( -1.386 -8.494 -5.832) 10.396 8.537 ( 1.464 -3.369 -0.277) 3.684 8.574 ( 2.242 0.406 -0.362) 2.307 8.689 ( 1.808 -3.065 -7.537) 8.334 8.937 ( 1.142 0.168 1.603) 1.976 9.011 ( 0.786 0.459 0.574) 1.076 9.059 ( -2.076 -2.049 1.193) 3.151 9.142 ( -0.077 7.406 1.031) 7.478 9.296 ( 3.787 0.528 -2.042) 4.335 9.401 ( 2.350 -1.267 -2.687) 3.788 9.501 ( -1.904 -1.532 2.860) 3.762 9.689 ( -0.357 -5.794 1.372) 5.965 10.110 ( -1.033 8.541 -1.930) 8.817 10.287 ( 1.846 -2.171 2.043) 3.506 10.352 ( -11.714 2.461 -5.187) 13.045 10.527 ( 7.285 4.825 -0.414) 8.747 10.830 ( -1.748 0.502 5.508) 5.801 11.542 ( 0.476 5.013 -4.321) 6.635 11.756 ( 1.541 8.718 -5.773) 10.569 12.271 ( -8.745 1.833 -2.668) 9.325 12.321 ( 2.779 -4.466 -3.341) 6.232 12.521 ( 0.530 4.728 -3.162) 5.713 13.170 ( -9.750 -16.780 11.679) 22.650 13.325 ( -6.119 -3.027 4.620) 8.243 15.128 ( 0.009 6.984 -6.702) 9.680 15.580 ( 15.576 -2.756 -12.357) 20.072 15.904 ( -1.217 1.591 0.412) 2.045 16.014 ( -0.545 4.103 -1.000) 4.258 16.914 ( -2.109 -2.322 2.874) 4.254 16.953 ( -3.138 -2.715 4.013) 5.773 17.111 ( 2.107 -0.781 0.055) 2.247 17.219 ( -0.879 1.658 -1.737) 2.557 17.282 ( 0.164 1.271 1.278) 1.810 17.370 ( -0.918 4.311 0.162) 4.411 17.567 ( -2.825 -3.444 1.398) 4.668 17.685 ( -1.200 0.267 0.431) 1.302 17.868 ( 1.396 0.148 -2.142) 2.561 17.921 ( 1.222 -2.975 -0.149) 3.220 17.985 ( 0.849 -0.409 0.927) 1.322 18.181 ( -0.415 0.006 -1.655) 1.706 18.344 ( -2.841 -3.232 -1.629) 4.601 18.490 ( 1.568 -3.778 -2.696) 4.899 18.518 ( 1.695 -4.866 2.680) 5.808 18.733 ( 0.571 -3.456 0.438) 3.530 20.700 ( 0.196 -2.828 2.024) 3.483 20.749 ( -0.806 -1.362 0.152) 1.590 20.828 ( 0.128 -0.244 1.383) 1.410 20.946 ( 3.740 -4.075 2.468) 6.057 21.478 ( -1.256 0.584 0.792) 1.596 21.488 ( 0.315 0.521 1.014) 1.183 21.558 ( 0.350 0.905 -0.227) 0.996 21.648 ( 0.810 3.391 -4.568) 5.746 27.240 ( -0.198 -0.301 0.374) 0.519 27.254 ( -0.919 -0.092 0.314) 0.976 27.284 ( 0.182 0.196 -0.414) 0.493 27.312 ( 2.242 -0.287 0.233) 2.272 27.597 ( -0.169 0.768 0.143) 0.799 27.628 ( -0.240 0.920 -0.674) 1.166 27.666 ( -0.658 0.348 1.086) 1.317 27.695 ( 0.052 1.646 0.345) 1.682 35.087 ( -7.486 2.409 -2.287) 8.190 35.125 ( 11.341 1.585 -1.386) 11.535 35.423 ( -0.179 -1.605 3.198) 3.582 35.572 ( -1.818 0.367 1.625) 2.466 35.931 ( -1.583 -7.249 10.026) 12.473 36.085 ( 1.708 2.978 -2.025) 3.986 36.264 ( 0.116 -2.684 3.370) 4.310 36.906 ( 3.593 5.723 -13.434) 15.038 39.213 ( -4.694 0.102 5.757) 7.429 39.440 ( -5.913 -8.177 12.416) 15.999 39.737 ( 0.648 -8.453 -1.517) 8.612 40.160 ( -2.398 7.247 -2.207) 7.946 40.381 ( -12.258 10.465 -4.377) 16.701 40.432 ( 10.622 -4.005 -8.327) 14.079 40.908 ( -3.333 -6.491 6.193) 9.570 41.437 ( 0.658 3.816 -4.167) 5.688 ======================= Grid point 51 (22/80) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 19.267 16.587 20.772) 32.831 1.449 ( 12.448 21.426 22.877) 33.726 2.178 ( 11.037 16.016 19.040) 27.219 2.310 ( -5.072 0.638 -4.705) 6.947 2.643 ( 5.537 7.925 2.842) 10.076 2.804 ( 2.191 4.619 -10.070) 11.293 2.914 ( 2.420 -0.363 -3.404) 4.192 2.966 ( 3.283 3.880 -7.025) 8.670 3.012 ( -11.305 2.509 -7.813) 13.969 3.171 ( 1.372 13.779 -1.466) 13.924 3.286 ( -6.222 6.343 -2.517) 9.235 3.396 ( 0.263 4.942 -8.156) 9.540 3.575 ( -10.870 -4.152 7.430) 13.806 3.685 ( -2.610 0.864 2.484) 3.705 3.723 ( 4.242 0.661 2.230) 4.838 3.871 ( -5.826 0.178 5.337) 7.903 3.904 ( -4.013 0.627 1.552) 4.348 4.014 ( -6.058 0.303 2.949) 6.744 4.113 ( 3.720 2.712 3.040) 5.516 4.172 ( -0.282 3.093 0.726) 3.190 4.248 ( 2.668 5.926 4.063) 7.664 4.300 ( 4.112 5.893 -1.254) 7.294 4.432 ( 1.501 -2.223 -0.722) 2.777 4.517 ( 5.909 -2.743 1.295) 6.642 4.567 ( 6.403 -1.971 3.226) 7.436 4.646 ( 4.273 2.260 -2.737) 5.555 4.730 ( 4.258 3.777 -3.238) 6.548 4.793 ( -1.192 -5.618 -2.385) 6.219 4.838 ( 2.110 0.144 2.554) 3.316 5.052 ( -1.469 3.675 -4.908) 6.305 5.088 ( 0.746 1.718 -0.594) 1.965 5.163 ( 4.898 -1.737 -0.546) 5.225 5.236 ( -6.576 -6.285 -2.880) 9.541 5.298 ( -0.152 1.403 0.169) 1.421 5.403 ( -3.408 5.568 -2.840) 7.120 5.497 ( 2.626 -3.313 -5.443) 6.892 5.523 ( -8.678 -1.621 -1.317) 8.926 5.591 ( -2.444 -4.599 -0.958) 5.296 5.733 ( 0.090 4.870 -4.747) 6.801 5.769 ( -7.088 -1.725 -0.688) 7.327 5.822 ( -2.873 -6.247 2.368) 7.272 5.931 ( 1.580 0.806 -5.777) 6.043 5.996 ( -1.370 -2.630 -0.836) 3.080 6.008 ( -0.871 4.452 2.912) 5.391 6.105 ( -2.781 2.454 -0.625) 3.761 6.222 ( -3.419 -3.992 1.792) 5.553 6.283 ( 0.114 -2.310 2.535) 3.431 6.335 ( -4.057 -2.133 2.559) 5.249 6.383 ( 1.947 -2.761 5.420) 6.387 6.512 ( 0.315 4.672 -0.170) 4.686 6.652 ( -1.518 2.087 -0.648) 2.661 6.691 ( 1.487 -4.544 1.944) 5.161 6.724 ( 1.306 7.635 1.678) 7.926 6.787 ( 0.580 3.216 0.470) 3.302 6.828 ( -3.824 4.540 -0.641) 5.970 6.869 ( 1.356 -2.021 -0.898) 2.594 6.942 ( -0.496 -1.037 1.773) 2.113 6.959 ( 2.528 -0.013 4.802) 5.426 7.028 ( 3.812 -4.118 -4.645) 7.284 7.075 ( -1.233 5.343 -0.325) 5.493 7.113 ( 3.403 -0.177 -1.250) 3.629 7.164 ( -4.488 2.244 5.421) 7.387 7.267 ( 0.412 0.249 -0.044) 0.483 7.289 ( -1.194 -0.260 -1.439) 1.888 7.389 ( 0.781 -3.510 -0.860) 3.697 7.398 ( -0.471 2.803 2.071) 3.517 7.498 ( 0.891 0.354 -2.653) 2.821 7.573 ( 2.576 -0.877 5.333) 5.987 7.644 ( 0.996 -3.916 8.728) 9.618 7.720 ( -4.006 -3.884 -0.820) 5.640 7.796 ( 5.225 -0.481 -3.802) 6.480 7.838 ( 0.989 0.506 1.412) 1.797 7.865 ( 3.531 1.951 1.167) 4.200 7.922 ( 3.188 0.402 0.090) 3.215 7.980 ( 2.400 2.572 -0.959) 3.646 8.032 ( -0.365 5.152 2.005) 5.541 8.186 ( 1.534 -3.903 0.411) 4.214 8.271 ( 4.597 -4.089 7.778) 9.917 8.317 ( -2.286 -0.920 -1.679) 2.982 8.396 ( -0.495 0.753 -0.652) 1.113 8.439 ( -1.532 -5.889 -5.463) 8.178 8.510 ( -1.074 1.435 -2.086) 2.750 8.592 ( 3.425 -0.420 -3.303) 4.777 8.712 ( 3.409 -3.741 -7.215) 8.813 8.878 ( -4.130 -0.881 -0.159) 4.226 8.971 ( -7.721 -2.058 0.552) 8.010 8.990 ( -3.938 0.241 -0.191) 3.950 9.119 ( -3.268 9.446 2.215) 10.238 9.334 ( 0.494 -2.824 -0.177) 2.873 9.399 ( -0.403 -2.504 -1.364) 2.880 9.524 ( 0.567 2.639 1.438) 3.059 9.754 ( 3.494 -5.167 3.236) 7.027 9.975 ( -9.113 10.743 -2.006) 14.229 10.170 ( 3.954 2.889 -2.572) 5.531 10.369 ( 1.814 -2.166 2.315) 3.652 10.657 ( 6.130 -0.532 -6.189) 8.727 10.877 ( 1.264 -1.273 4.203) 4.570 11.491 ( 0.637 5.714 -6.492) 8.672 11.702 ( -1.456 8.313 -2.824) 8.900 12.197 ( -4.785 0.874 11.644) 12.619 12.349 ( 2.520 -4.008 -0.969) 4.833 12.502 ( 1.624 4.758 -4.280) 6.603 12.996 ( -13.606 -9.511 5.982) 17.646 13.309 ( -1.511 -0.144 3.932) 4.215 15.071 ( -1.990 11.919 -2.337) 12.308 15.614 ( 2.546 -7.288 -11.534) 13.879 15.891 ( -1.011 1.129 1.182) 1.922 15.944 ( -3.216 2.295 0.005) 3.951 16.869 ( -3.903 -2.125 1.852) 4.815 16.944 ( -2.212 -2.330 4.664) 5.664 17.086 ( -3.471 3.448 -0.177) 4.896 17.244 ( 3.588 -1.434 -0.811) 3.948 17.296 ( 0.539 1.492 0.726) 1.744 17.390 ( 3.051 2.391 0.363) 3.893 17.548 ( -1.323 -2.737 0.498) 3.081 17.657 ( -2.227 1.543 0.199) 2.716 17.884 ( 2.370 -0.402 -1.987) 3.119 17.951 ( 1.328 -2.987 -0.045) 3.269 18.011 ( 1.691 -1.432 -0.634) 2.305 18.139 ( -2.200 0.618 -1.020) 2.503 18.272 ( -3.209 -3.852 0.122) 5.015 18.497 ( 2.570 -3.505 -3.720) 5.721 18.581 ( 1.595 -5.044 2.548) 5.872 18.771 ( 2.449 -4.909 0.868) 5.554 20.718 ( -0.333 -2.461 1.236) 2.773 20.735 ( -0.454 -2.378 0.054) 2.421 20.840 ( -0.393 0.308 1.224) 1.322 20.954 ( -2.864 -1.877 0.971) 3.559 21.463 ( -1.095 0.906 1.017) 1.748 21.503 ( 0.199 0.497 0.717) 0.895 21.561 ( 0.168 1.274 -0.368) 1.337 21.595 ( -1.316 3.054 -1.726) 3.747 27.208 ( -2.076 0.177 0.299) 2.105 27.270 ( 1.048 -0.358 0.103) 1.112 27.285 ( 0.615 0.212 -0.683) 0.943 27.348 ( 0.760 -1.526 0.013) 1.705 27.597 ( 0.008 0.633 0.148) 0.650 27.618 ( -0.107 0.624 -0.379) 0.738 27.666 ( -0.396 1.045 0.922) 1.449 27.693 ( -0.540 1.686 0.070) 1.772 35.028 ( 0.567 0.783 -0.409) 1.050 35.412 ( 18.267 -1.523 -8.319) 20.129 35.435 ( -2.299 -2.991 3.004) 4.822 35.577 ( 1.051 1.769 1.548) 2.575 35.994 ( 0.231 -6.173 3.112) 6.917 36.083 ( 0.217 2.242 -2.179) 3.134 36.297 ( -2.033 -5.849 6.252) 8.799 36.815 ( -0.192 7.689 -7.855) 10.993 39.167 ( -5.592 0.293 6.092) 8.274 39.408 ( -6.734 -2.464 8.274) 10.949 39.808 ( 5.098 -7.645 4.930) 10.428 40.030 ( 0.262 2.791 -4.558) 5.351 40.199 ( -5.360 6.274 -5.085) 9.693 40.664 ( 14.649 0.791 -7.022) 16.265 40.904 ( -4.063 -7.425 6.034) 10.395 41.398 ( -0.095 5.903 -3.734) 6.986 ======================= Grid point 52 (23/80) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 1.916 14.278 11.122) 18.200 1.923 ( 0.387 26.522 12.852) 29.474 2.002 ( -6.011 -11.928 -6.415) 14.818 2.309 ( 4.567 -1.529 -1.605) 5.076 2.610 ( -5.130 9.870 -2.665) 11.438 2.742 ( -1.708 7.592 -7.041) 10.494 2.755 ( 2.558 0.658 -14.945) 15.177 2.999 ( 2.462 -0.884 -1.021) 2.808 3.032 ( 6.002 4.102 0.645) 7.298 3.247 ( 2.420 7.674 0.561) 8.066 3.302 ( 0.110 13.333 0.770) 13.356 3.372 ( 0.017 11.010 -0.152) 11.011 3.502 ( -1.382 -3.895 6.870) 8.018 3.674 ( -0.835 1.337 5.708) 5.922 3.750 ( -7.049 -2.424 7.948) 10.897 3.804 ( -4.838 -0.003 -1.090) 4.959 3.871 ( -0.587 0.607 2.980) 3.098 3.962 ( 1.565 -0.794 -0.523) 1.831 4.085 ( -3.003 1.069 1.207) 3.408 4.225 ( -2.355 5.540 -0.660) 6.056 4.272 ( 1.852 6.388 3.111) 7.343 4.299 ( 0.570 5.772 -2.793) 6.438 4.469 ( 0.828 2.608 2.384) 3.629 4.599 ( -0.333 -3.227 -4.300) 5.387 4.663 ( 3.120 -0.243 -2.802) 4.201 4.700 ( 3.585 2.114 -1.506) 4.426 4.791 ( 1.454 -1.479 -1.501) 2.560 4.850 ( 1.251 0.658 -3.365) 3.650 4.897 ( 7.543 -5.101 2.379) 9.411 5.007 ( 4.474 -4.587 -0.391) 6.420 5.027 ( -6.282 3.565 -2.405) 7.613 5.121 ( -1.356 -0.377 4.499) 4.714 5.206 ( 1.419 2.523 -0.023) 2.895 5.293 ( -3.407 3.393 1.728) 5.109 5.319 ( 0.127 1.507 -1.692) 2.269 5.464 ( -0.052 -3.474 1.267) 3.698 5.525 ( -2.049 -0.245 -0.385) 2.099 5.576 ( -3.591 0.316 2.056) 4.150 5.619 ( 3.310 -1.094 -1.814) 3.930 5.686 ( -1.026 -1.415 -4.868) 5.172 5.835 ( 1.093 -1.036 -4.601) 4.841 5.862 ( -0.378 0.647 0.989) 1.241 5.993 ( -0.357 -2.471 -0.101) 2.499 6.038 ( 3.606 -3.752 0.385) 5.218 6.108 ( 2.453 -2.006 2.482) 4.025 6.176 ( -1.546 -2.985 -0.862) 3.470 6.279 ( -0.684 -1.456 4.320) 4.610 6.314 ( -2.606 1.155 3.476) 4.495 6.448 ( -3.886 1.002 7.321) 8.348 6.513 ( -3.228 -2.750 -1.663) 4.556 6.534 ( -2.114 6.146 -2.179) 6.855 6.663 ( -4.816 1.221 1.978) 5.348 6.742 ( 0.895 2.715 -3.639) 4.627 6.787 ( -1.687 3.553 1.794) 4.323 6.853 ( -0.673 4.761 2.063) 5.232 6.901 ( 3.693 -3.412 -1.500) 5.247 6.903 ( -0.667 -1.748 -0.861) 2.060 7.022 ( 2.443 -1.228 -2.348) 3.604 7.040 ( -0.380 -1.153 -1.879) 2.237 7.086 ( -0.130 1.162 -0.409) 1.239 7.138 ( -0.587 0.730 0.515) 1.069 7.187 ( 1.670 1.914 4.564) 5.223 7.259 ( 1.248 2.312 -0.105) 2.630 7.305 ( 2.973 3.958 2.041) 5.354 7.403 ( 2.740 -1.786 -2.333) 4.018 7.445 ( 0.127 1.508 0.357) 1.555 7.522 ( 3.363 -0.465 1.056) 3.555 7.571 ( -6.914 -2.000 0.306) 7.204 7.652 ( -7.285 -2.392 -1.612) 7.835 7.671 ( 1.109 -4.345 3.220) 5.520 7.744 ( -1.514 -1.467 2.151) 3.012 7.839 ( 0.567 2.056 1.175) 2.435 7.928 ( -3.732 6.563 -1.197) 7.644 8.005 ( 5.827 0.344 -4.432) 7.330 8.084 ( 6.260 2.992 -2.079) 7.244 8.123 ( 7.068 -1.162 2.617) 7.626 8.189 ( -0.719 -1.755 0.019) 1.896 8.293 ( -2.136 -2.985 1.411) 3.932 8.324 ( -2.711 -3.722 -5.225) 6.965 8.373 ( -0.593 -1.871 0.440) 2.012 8.429 ( 3.516 -4.496 3.298) 6.592 8.516 ( -1.789 0.464 1.729) 2.531 8.595 ( 2.269 -2.289 -5.672) 6.523 8.634 ( 0.280 0.436 -2.067) 2.131 8.794 ( -6.780 3.214 -1.499) 7.652 8.861 ( -0.399 3.115 0.680) 3.213 8.938 ( -0.602 -1.515 -1.733) 2.379 9.085 ( -0.837 3.788 -0.921) 3.987 9.337 ( -1.155 -2.503 3.973) 4.835 9.377 ( -0.132 -1.078 -1.513) 1.862 9.509 ( -0.954 2.906 -2.560) 3.988 9.826 ( -0.332 -1.547 4.893) 5.143 9.906 ( 0.528 6.409 1.166) 6.535 10.222 ( 3.211 -0.724 -5.730) 6.608 10.397 ( -0.635 -1.788 1.270) 2.284 10.688 ( 3.340 -0.896 -3.374) 4.832 10.929 ( 1.116 -3.548 0.794) 3.803 11.453 ( 2.266 5.637 -6.009) 8.545 11.675 ( -0.238 6.719 1.058) 6.805 12.262 ( -1.691 -0.951 10.543) 10.720 12.418 ( 0.275 -2.592 11.747) 12.033 12.501 ( 2.894 3.357 -4.379) 6.231 12.818 ( -8.505 -6.104 0.490) 10.480 13.324 ( -1.890 0.637 5.419) 5.774 15.015 ( -0.612 13.978 -2.246) 14.171 15.523 ( 0.871 -6.438 -11.143) 12.899 15.888 ( -0.671 0.706 1.690) 1.951 15.924 ( -0.339 1.290 1.348) 1.897 16.834 ( -1.688 -1.848 2.212) 3.340 16.948 ( -2.260 -2.437 4.231) 5.380 17.027 ( -1.686 4.331 -0.653) 4.693 17.283 ( 0.150 -1.874 0.715) 2.011 17.337 ( 3.071 1.500 -0.269) 3.428 17.453 ( 2.952 1.015 -0.876) 3.242 17.507 ( -3.278 -1.531 0.512) 3.654 17.622 ( -0.900 1.020 0.062) 1.362 17.912 ( 1.835 -0.120 -0.870) 2.034 17.951 ( -1.234 -2.232 0.900) 2.704 18.054 ( 3.952 -2.291 -2.304) 5.116 18.087 ( -1.960 0.531 -0.947) 2.241 18.237 ( -1.711 -4.172 2.663) 5.237 18.509 ( 2.892 -3.925 -4.685) 6.762 18.612 ( -0.522 -5.307 1.006) 5.427 18.806 ( 0.659 -5.677 -1.041) 5.809 20.704 ( -0.948 -1.276 -0.446) 1.651 20.741 ( -0.038 -3.288 1.260) 3.521 20.832 ( -0.903 1.081 -0.303) 1.441 20.902 ( -2.457 0.500 -0.692) 2.601 21.458 ( -0.595 0.842 1.100) 1.508 21.508 ( -0.177 0.528 0.398) 0.685 21.556 ( 0.062 2.376 -0.648) 2.463 21.574 ( 0.019 0.839 -0.768) 1.138 27.183 ( -0.781 0.479 0.552) 1.070 27.287 ( 0.535 -0.483 0.345) 0.799 27.293 ( 1.093 0.077 -1.053) 1.520 27.345 ( -0.853 -1.065 0.033) 1.365 27.600 ( 0.105 0.542 0.227) 0.597 27.618 ( 0.219 0.165 0.178) 0.327 27.665 ( -0.612 1.236 0.491) 1.464 27.683 ( -0.249 1.798 0.059) 1.816 35.066 ( 2.168 1.034 1.302) 2.732 35.405 ( -2.815 -4.619 1.613) 5.645 35.570 ( 4.481 2.014 -2.887) 5.699 35.659 ( 6.972 1.632 -0.577) 7.184 35.983 ( -0.611 -3.732 -4.811) 6.119 36.062 ( 0.566 2.330 -2.531) 3.487 36.298 ( -4.587 -10.300 6.922) 13.231 36.777 ( 1.822 7.683 -3.069) 8.472 39.149 ( -2.987 1.172 6.906) 7.615 39.378 ( -3.638 -0.353 5.211) 6.365 39.892 ( -3.497 -8.423 -1.164) 9.194 40.019 ( 2.997 2.538 -5.493) 6.753 40.139 ( 3.818 -0.166 2.670) 4.662 40.773 ( 2.378 0.290 -5.212) 5.736 40.929 ( 1.947 -8.338 6.237) 10.593 41.380 ( 1.111 7.134 -1.329) 7.342 ======================= Grid point 53 (24/80) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -28.406 10.212 -12.177) 32.550 1.596 ( -24.692 19.592 0.951) 31.535 2.216 ( -12.199 21.281 6.136) 25.285 2.358 ( 0.215 -2.484 1.790) 3.069 2.614 ( 0.603 7.521 -6.010) 9.647 2.706 ( 7.125 -0.303 -4.814) 8.604 2.779 ( 11.391 6.988 -5.968) 14.636 3.020 ( 3.954 0.327 -2.183) 4.529 3.098 ( 3.009 3.727 5.223) 7.088 3.267 ( 1.937 8.057 0.608) 8.309 3.328 ( 3.072 1.663 2.854) 4.511 3.397 ( 5.502 7.692 0.194) 9.460 3.488 ( -3.156 3.631 -2.402) 5.377 3.649 ( -4.148 0.743 -11.541) 12.286 3.700 ( -5.956 0.947 9.153) 10.961 3.778 ( 1.515 -1.984 9.347) 9.675 3.900 ( -1.289 0.477 5.368) 5.542 4.016 ( 4.301 -4.643 -4.807) 7.947 4.061 ( -0.553 0.104 4.322) 4.359 4.155 ( -5.583 7.703 1.665) 9.658 4.289 ( -3.407 6.503 -0.604) 7.366 4.301 ( -2.278 5.573 1.413) 6.184 4.457 ( -2.565 -3.647 -5.627) 7.180 4.482 ( -1.390 -2.223 -0.416) 2.655 4.618 ( -4.732 -0.518 -1.615) 5.026 4.721 ( -2.367 3.409 -2.480) 4.834 4.763 ( 0.004 0.384 -1.795) 1.835 4.834 ( 0.996 -3.814 -1.288) 4.147 4.941 ( -1.501 -3.329 2.757) 4.576 5.118 ( 7.477 1.728 3.716) 8.527 5.141 ( -0.551 -2.223 -3.636) 4.297 5.234 ( 7.432 1.589 2.839) 8.113 5.247 ( 2.073 1.786 5.636) 6.265 5.252 ( -1.273 1.826 0.396) 2.261 5.339 ( 0.698 2.349 0.872) 2.601 5.422 ( 1.757 -3.039 0.269) 3.520 5.471 ( 2.044 0.562 1.102) 2.389 5.566 ( 5.768 -0.834 0.002) 5.828 5.705 ( 4.272 -2.806 -7.760) 9.292 5.732 ( 3.624 -1.409 3.395) 5.162 5.804 ( 0.152 0.943 -6.135) 6.209 5.898 ( 5.043 3.833 5.559) 8.428 6.043 ( -0.811 -3.374 5.110) 6.177 6.096 ( -0.374 -7.208 0.479) 7.234 6.150 ( -0.058 -1.736 -0.066) 1.738 6.200 ( 3.875 -4.159 4.223) 7.082 6.250 ( -4.552 0.833 -0.770) 4.691 6.310 ( -2.668 -0.348 1.729) 3.199 6.400 ( -0.857 3.710 3.297) 5.037 6.482 ( -0.822 0.919 -0.790) 1.464 6.546 ( 5.047 6.632 -3.232) 8.939 6.574 ( -3.948 -0.495 -0.240) 3.986 6.710 ( -1.485 -0.526 -1.548) 2.209 6.772 ( 0.091 1.729 -0.416) 1.781 6.822 ( -3.562 -1.482 -3.403) 5.144 6.848 ( -2.153 6.440 0.679) 6.824 6.953 ( 0.151 -2.659 1.366) 2.993 6.994 ( -2.671 -1.971 -2.282) 4.028 7.014 ( -1.297 0.820 -0.821) 1.741 7.082 ( 4.927 -0.460 -1.716) 5.237 7.182 ( 1.536 -0.273 3.163) 3.527 7.248 ( -1.337 3.651 5.861) 7.033 7.288 ( -2.699 -1.256 0.051) 2.977 7.336 ( -2.039 -0.096 4.147) 4.622 7.379 ( -2.541 -0.057 -2.242) 3.389 7.416 ( 0.227 4.903 0.701) 4.958 7.485 ( -0.294 -0.380 -0.825) 0.955 7.523 ( -3.249 -2.274 -0.900) 4.066 7.644 ( 4.549 0.761 -0.032) 4.613 7.694 ( -3.175 -2.703 -0.779) 4.242 7.749 ( 0.768 0.291 -1.491) 1.702 7.833 ( -0.885 1.392 -1.090) 1.977 7.866 ( 0.417 1.672 -0.798) 1.899 8.007 ( -0.587 1.803 0.077) 1.898 8.071 ( -4.445 -0.851 1.238) 4.692 8.097 ( -5.665 -3.620 -4.750) 8.232 8.143 ( -8.852 -5.049 0.127) 10.191 8.213 ( -0.978 -4.316 -5.365) 6.955 8.315 ( 5.380 2.967 -0.167) 6.147 8.399 ( -1.653 -2.462 1.399) 3.279 8.472 ( 3.670 0.471 1.020) 3.838 8.576 ( 1.438 -1.533 5.087) 5.504 8.634 ( 4.719 -0.218 -2.769) 5.476 8.676 ( 0.262 7.740 -3.834) 8.642 8.755 ( 7.773 -0.523 0.031) 7.791 8.884 ( -0.657 -5.472 -3.780) 6.683 8.902 ( 2.340 0.960 2.652) 3.665 9.084 ( 1.459 4.547 -0.319) 4.786 9.354 ( 0.240 3.222 -4.350) 5.419 9.376 ( 1.131 -3.237 2.269) 4.112 9.477 ( -0.011 -0.309 -0.465) 0.559 9.848 ( -3.146 -6.015 2.879) 7.373 9.947 ( 2.114 9.496 3.888) 10.476 10.187 ( -0.250 2.012 -2.249) 3.028 10.353 ( -3.432 1.701 -2.998) 4.865 10.731 ( 2.622 -3.729 -0.072) 4.559 10.922 ( -1.961 -5.172 -1.407) 5.707 11.470 ( 4.773 5.645 -4.061) 8.435 11.703 ( 1.307 6.179 1.504) 6.493 12.302 ( 0.677 -3.122 0.062) 3.196 12.512 ( 2.458 3.579 -2.863) 5.200 12.624 ( -7.908 -1.344 31.326) 32.336 12.698 ( 3.475 -7.689 -4.535) 9.579 13.339 ( -2.338 0.923 5.565) 6.106 15.037 ( 5.297 14.944 -0.943) 15.883 15.430 ( 3.154 -3.108 -16.038) 16.638 15.903 ( 0.108 1.763 2.350) 2.940 15.935 ( -0.467 1.457 1.935) 2.467 16.851 ( 0.533 -1.407 3.053) 3.403 16.944 ( -2.153 -2.345 3.767) 4.932 17.016 ( 1.053 3.233 -0.723) 3.476 17.277 ( -1.035 -1.405 0.613) 1.849 17.354 ( -2.382 1.646 0.267) 2.908 17.424 ( -1.897 0.635 -1.679) 2.612 17.521 ( 2.726 -0.321 0.960) 2.907 17.639 ( 2.069 -0.129 0.839) 2.236 17.918 ( -0.859 -0.617 -0.041) 1.058 17.942 ( -0.379 -2.258 -0.418) 2.327 18.026 ( -1.419 0.195 -2.237) 2.656 18.121 ( 3.801 -1.716 -1.147) 4.325 18.269 ( 1.049 -4.063 4.854) 6.416 18.509 ( 1.630 -4.014 -3.616) 5.643 18.577 ( -3.085 -4.887 -0.789) 5.833 18.769 ( -1.922 -5.535 -3.193) 6.673 20.682 ( -0.861 -0.584 -0.290) 1.080 20.751 ( -0.235 -2.658 1.042) 2.865 20.810 ( -0.045 2.050 -1.521) 2.553 20.851 ( -1.503 0.871 -1.696) 2.428 21.462 ( -0.188 0.604 1.161) 1.322 21.504 ( -0.578 0.523 0.233) 0.813 21.556 ( 0.370 1.648 -0.595) 1.791 21.574 ( 1.131 1.757 -0.857) 2.258 27.190 ( 0.600 0.395 0.886) 1.141 27.294 ( -0.451 -0.524 0.662) 0.957 27.301 ( 0.923 -0.046 -1.563) 1.816 27.323 ( -1.246 -0.610 -0.131) 1.393 27.602 ( -0.191 0.608 0.294) 0.702 27.632 ( 0.752 -0.194 0.623) 0.996 27.653 ( -0.727 1.290 0.119) 1.486 27.687 ( 0.314 1.626 0.164) 1.665 35.101 ( -1.366 0.749 3.145) 3.510 35.381 ( -0.528 -4.976 0.422) 5.022 35.592 ( 0.025 3.351 -0.345) 3.369 35.742 ( 0.076 1.573 -2.083) 2.611 35.902 ( -0.354 -7.503 -6.194) 9.736 36.054 ( 1.683 3.061 -3.135) 4.694 36.266 ( -5.753 -10.763 6.320) 13.743 36.814 ( 5.328 7.308 -3.281) 9.621 39.183 ( -1.570 1.350 7.734) 8.007 39.375 ( -3.035 -0.830 7.281) 7.931 39.758 ( -3.639 -2.103 -4.691) 6.299 40.005 ( 1.637 -1.610 -6.658) 7.043 40.284 ( 3.393 2.499 7.195) 8.338 40.746 ( 1.246 -7.913 -4.150) 9.022 41.030 ( -0.225 -7.148 7.213) 10.158 41.408 ( 2.661 5.378 -0.901) 6.067 ======================= Grid point 54 (25/80) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -15.129 23.446 10.319) 29.750 1.136 ( -25.903 25.016 9.672) 37.287 1.756 ( -32.468 43.695 13.057) 55.981 2.382 ( 0.731 -0.782 0.972) 1.446 2.545 ( 0.747 3.130 -6.971) 7.677 2.792 ( 5.427 3.737 -1.906) 6.860 2.918 ( 8.571 2.494 -6.417) 10.994 3.128 ( 3.093 1.540 -11.314) 11.830 3.214 ( 3.734 1.142 0.088) 3.905 3.306 ( 0.277 2.558 -1.527) 2.992 3.406 ( 4.152 11.805 -10.940) 16.622 3.490 ( 7.421 1.283 7.342) 10.518 3.558 ( 11.180 3.249 3.278) 12.095 3.618 ( 10.021 -0.845 1.239) 10.133 3.701 ( -3.773 -1.010 7.464) 8.424 3.824 ( -4.820 0.596 -4.378) 6.539 3.894 ( -1.977 2.886 8.584) 9.270 3.953 ( -3.895 0.558 -1.076) 4.079 4.042 ( -7.367 -0.084 -0.403) 7.378 4.107 ( -3.977 2.513 5.673) 7.370 4.241 ( -2.539 3.935 0.427) 4.702 4.265 ( -3.500 2.661 1.092) 4.530 4.378 ( -1.938 -2.477 0.178) 3.150 4.468 ( 4.172 0.684 -2.138) 4.738 4.534 ( -2.849 -0.084 4.687) 5.486 4.647 ( -3.655 2.919 1.170) 4.821 4.727 ( -2.707 -0.971 -0.846) 2.997 4.768 ( -4.428 0.564 -4.945) 6.662 4.964 ( -7.277 -6.301 -1.262) 9.708 5.004 ( 2.704 -0.147 1.194) 2.960 5.150 ( -3.918 -0.091 -1.071) 4.063 5.269 ( 2.067 -1.670 -0.452) 2.696 5.303 ( 3.201 -3.878 -3.784) 6.293 5.363 ( 0.998 0.034 0.408) 1.078 5.493 ( 6.286 -1.572 5.808) 8.701 5.525 ( 8.171 -2.660 5.234) 10.062 5.602 ( 4.688 -2.167 -3.144) 6.046 5.646 ( 0.659 -1.229 0.045) 1.395 5.716 ( 6.678 -0.165 -0.950) 6.748 5.766 ( 3.419 1.386 -5.573) 6.683 5.856 ( 3.654 5.198 0.709) 6.394 5.996 ( -2.474 1.140 -2.044) 3.406 6.018 ( -3.478 2.137 -5.940) 7.207 6.055 ( -1.799 -0.271 1.388) 2.289 6.150 ( -0.679 -0.320 6.686) 6.728 6.177 ( 1.443 -0.953 0.408) 1.776 6.277 ( -2.264 1.795 -0.156) 2.893 6.330 ( 4.356 -5.704 1.991) 7.448 6.378 ( -3.492 1.072 1.343) 3.892 6.485 ( 1.528 1.597 0.137) 2.215 6.567 ( 2.157 -4.548 0.436) 5.053 6.625 ( 4.427 8.026 -2.348) 9.462 6.658 ( -1.185 -0.665 0.448) 1.431 6.714 ( -3.006 -1.572 2.159) 4.021 6.796 ( -2.614 5.660 -0.643) 6.268 6.824 ( 2.007 -1.706 -1.379) 2.973 6.939 ( -1.656 1.309 1.849) 2.806 6.972 ( 0.834 -1.195 0.696) 1.615 7.028 ( 1.768 3.558 0.698) 4.034 7.096 ( -0.425 -3.887 -2.420) 4.598 7.205 ( -0.512 1.862 3.207) 3.743 7.223 ( -4.991 -0.563 1.892) 5.368 7.255 ( -1.481 -2.724 -2.686) 4.102 7.331 ( 0.070 0.761 1.140) 1.372 7.388 ( 1.433 0.762 6.581) 6.779 7.430 ( -2.377 -0.789 -1.406) 2.872 7.484 ( 0.158 -1.486 3.319) 3.640 7.524 ( 0.538 -3.320 2.047) 3.938 7.557 ( -5.156 0.362 -3.228) 6.094 7.634 ( -1.846 2.678 -0.620) 3.310 7.762 ( 2.136 2.137 -1.891) 3.564 7.774 ( -0.679 -0.409 -4.564) 4.632 7.871 ( -4.828 -2.107 -1.485) 5.473 7.964 ( -0.434 2.087 -2.593) 3.357 7.999 ( -0.408 -2.300 -1.794) 2.945 8.023 ( -3.515 -1.914 3.645) 5.413 8.076 ( -1.740 -5.642 9.504) 11.189 8.122 ( -5.603 -3.785 0.922) 6.825 8.384 ( 2.001 5.183 -0.198) 5.560 8.425 ( 3.912 -2.821 -4.254) 6.431 8.510 ( 0.656 6.045 0.069) 6.080 8.519 ( -1.021 -1.576 0.713) 2.008 8.645 ( -2.084 -1.761 -4.116) 4.938 8.759 ( 0.389 -5.096 -7.535) 9.105 8.810 ( 7.560 0.092 2.149) 7.860 8.954 ( 5.543 -0.489 0.483) 5.585 9.004 ( 4.035 -0.419 4.285) 5.901 9.117 ( 2.051 6.258 -0.997) 6.660 9.302 ( -0.037 2.523 -5.164) 5.747 9.391 ( 1.680 -2.262 -3.527) 4.514 9.500 ( -0.833 -1.259 4.379) 4.632 9.750 ( -5.878 -7.952 -0.471) 9.900 10.107 ( 6.756 11.384 5.076) 14.178 10.199 ( 0.009 5.693 3.714) 6.797 10.269 ( 2.023 3.592 -2.649) 4.900 10.729 ( -4.609 -8.702 -4.985) 11.037 10.835 ( -5.123 -0.339 3.210) 6.056 11.532 ( 4.155 5.130 -2.574) 7.086 11.743 ( 2.806 6.859 -1.522) 7.566 12.309 ( 2.011 -4.227 -3.191) 5.665 12.488 ( -3.323 -0.327 -8.117) 8.776 12.546 ( -1.487 1.724 -2.952) 3.727 13.021 ( 2.872 -15.387 29.715) 33.585 13.355 ( -2.430 -1.738 6.948) 7.563 15.182 ( 5.925 2.630 -2.061) 6.802 15.349 ( 13.164 12.905 -18.961) 26.445 15.922 ( -1.009 1.950 1.166) 2.486 15.962 ( 1.865 5.195 3.135) 6.347 16.898 ( 0.310 -1.630 3.535) 3.905 16.947 ( -1.680 -2.014 4.511) 5.218 17.051 ( 3.670 0.924 -1.245) 3.984 17.267 ( -1.135 -0.094 0.631) 1.302 17.285 ( -2.830 1.182 -0.472) 3.103 17.388 ( -1.703 2.938 0.436) 3.424 17.579 ( 1.378 -0.636 1.366) 2.042 17.692 ( 1.141 -2.506 1.276) 3.035 17.885 ( -1.491 -1.610 -1.668) 2.756 17.917 ( -0.763 -1.687 -0.186) 1.861 17.992 ( -0.786 -0.034 -1.569) 1.755 18.174 ( 2.654 -0.708 -1.285) 3.033 18.351 ( 1.826 -3.765 3.656) 5.557 18.503 ( -1.595 -4.760 -0.685) 5.066 18.504 ( -0.229 -4.275 -2.713) 5.068 18.715 ( 0.141 -3.138 -1.034) 3.307 20.676 ( -0.304 -0.488 1.978) 2.060 20.755 ( -0.248 -1.338 0.825) 1.592 20.819 ( 0.043 0.269 0.354) 0.446 20.826 ( 3.156 2.363 -0.726) 4.009 21.473 ( 0.108 0.499 1.153) 1.261 21.493 ( -0.918 0.451 0.389) 1.094 21.556 ( 0.273 0.954 -0.460) 1.094 21.611 ( 4.169 3.631 -1.718) 5.790 27.217 ( 1.207 0.120 0.740) 1.421 27.281 ( -1.559 -0.512 0.624) 1.756 27.290 ( 0.034 -0.085 -2.103) 2.105 27.303 ( -0.786 0.394 0.232) 0.909 27.600 ( -0.301 0.717 0.238) 0.813 27.639 ( -0.180 1.044 -0.680) 1.258 27.657 ( 0.296 -0.249 1.445) 1.496 27.692 ( 0.063 1.450 0.068) 1.452 35.082 ( -2.728 -0.186 2.057) 3.421 35.376 ( -1.630 -2.651 -2.696) 4.117 35.479 ( -12.522 -3.536 -11.793) 17.560 35.600 ( -3.857 0.860 2.007) 4.432 35.889 ( -3.738 -7.063 8.613) 11.749 36.066 ( 2.444 3.165 -2.666) 4.806 36.237 ( -1.387 -4.652 3.221) 5.825 36.897 ( 8.686 5.790 -9.045) 13.812 39.220 ( -2.507 1.510 6.596) 7.216 39.406 ( -3.595 -5.827 10.754) 12.749 39.726 ( 2.125 -4.278 -0.470) 4.799 40.011 ( 7.486 6.054 -3.402) 10.211 40.372 ( 0.414 5.360 2.850) 6.085 40.722 ( -1.530 -13.320 -6.261) 14.798 40.998 ( -10.600 -10.287 4.751) 15.516 41.442 ( 2.530 3.376 -2.964) 5.156 ======================= Grid point 55 (26/80) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.678 24.789 21.136) 32.619 1.550 ( -2.575 30.113 14.084) 33.343 2.288 ( -2.128 7.470 4.103) 8.784 2.560 ( 3.499 1.408 -1.774) 4.168 2.792 ( 2.380 37.040 10.498) 38.573 2.942 ( 6.445 2.766 -11.668) 13.613 2.961 ( -1.035 4.788 -0.291) 4.907 3.124 ( 1.996 10.991 -13.124) 17.235 3.251 ( -3.751 -1.357 -7.522) 8.514 3.340 ( -3.319 4.185 -0.200) 5.345 3.481 ( -1.809 -3.079 2.455) 4.334 3.596 ( -6.357 5.901 -5.297) 10.163 3.685 ( 1.753 2.341 -2.582) 3.901 3.775 ( -3.441 2.231 0.435) 4.124 3.813 ( 1.032 -4.697 8.619) 9.870 3.846 ( 8.784 8.419 1.000) 12.208 3.931 ( -7.550 2.844 3.046) 8.624 3.959 ( 1.892 2.419 3.142) 4.394 4.024 ( 13.947 -0.270 2.122) 14.110 4.153 ( -4.603 -0.404 2.782) 5.394 4.256 ( -3.160 3.802 0.764) 5.002 4.278 ( 3.353 1.673 2.172) 4.331 4.376 ( -1.571 3.583 4.233) 5.765 4.492 ( -5.459 1.464 2.039) 6.008 4.554 ( -3.534 -0.802 1.023) 3.765 4.721 ( 3.427 1.707 -0.095) 3.830 4.745 ( 1.693 2.777 -0.732) 3.334 4.748 ( 1.802 1.575 3.386) 4.146 4.793 ( 0.818 0.481 1.670) 1.920 4.976 ( -2.585 -2.387 0.331) 3.534 5.065 ( 3.450 -4.009 -3.543) 6.366 5.131 ( 3.183 -5.679 -7.328) 9.802 5.288 ( -1.748 0.363 -1.967) 2.656 5.356 ( -1.068 2.098 -0.713) 2.460 5.435 ( 0.270 -2.758 -3.066) 4.133 5.497 ( -1.019 -2.438 0.981) 2.819 5.589 ( -4.345 -0.723 -1.958) 4.820 5.651 ( -1.518 -0.503 -1.656) 2.302 5.795 ( -1.813 0.767 -0.395) 2.008 5.854 ( 0.300 -0.860 -3.499) 3.615 5.879 ( -1.844 5.096 -5.782) 7.925 5.964 ( -2.007 0.092 -3.131) 3.720 6.005 ( 2.769 -1.172 0.055) 3.007 6.068 ( 1.466 -3.808 -2.278) 4.673 6.090 ( -0.083 -3.642 -1.132) 3.815 6.148 ( 1.113 -7.128 3.673) 8.096 6.222 ( -2.580 -1.509 4.370) 5.295 6.346 ( -3.085 6.477 -0.191) 7.176 6.417 ( 1.186 3.589 -4.510) 5.885 6.559 ( 1.496 0.330 2.723) 3.124 6.569 ( 0.633 -1.818 0.432) 1.973 6.685 ( 4.421 0.253 0.805) 4.501 6.710 ( 1.627 0.959 2.566) 3.187 6.775 ( 1.116 -5.607 5.500) 7.933 6.839 ( -2.919 2.431 0.460) 3.826 6.900 ( -1.417 4.873 1.944) 5.434 6.951 ( 4.451 4.502 -0.675) 6.367 6.954 ( -0.840 -2.827 -3.969) 4.945 6.988 ( -0.124 -3.792 1.468) 4.068 7.079 ( -3.610 -2.035 -1.449) 4.390 7.179 ( -1.303 2.436 2.535) 3.749 7.213 ( -0.857 0.738 -0.231) 1.154 7.238 ( 1.849 0.999 2.046) 2.933 7.268 ( -0.542 3.143 1.634) 3.583 7.326 ( 0.184 -1.323 2.920) 3.211 7.418 ( 0.639 -1.495 -1.096) 1.961 7.475 ( -5.032 0.225 4.497) 6.753 7.578 ( -0.326 3.454 3.466) 4.904 7.615 ( -1.156 -3.064 5.235) 6.175 7.663 ( 3.258 4.393 -4.203) 6.898 7.740 ( 3.193 1.015 -4.927) 5.958 7.776 ( 2.856 -3.645 2.293) 5.167 7.841 ( -0.328 2.677 0.123) 2.700 7.905 ( -1.744 -1.259 -0.534) 2.216 7.940 ( -1.997 -2.948 1.559) 3.887 7.994 ( 3.032 -0.207 -0.685) 3.116 8.079 ( 2.242 -0.121 5.044) 5.521 8.132 ( 1.564 -0.843 5.624) 5.898 8.314 ( 2.614 -7.103 -4.913) 9.024 8.380 ( -0.836 -3.822 -2.547) 4.668 8.411 ( -1.027 -6.311 1.111) 6.490 8.536 ( -5.464 4.293 -1.648) 7.142 8.615 ( 1.721 1.048 -3.855) 4.350 8.700 ( 1.327 3.288 -6.771) 7.643 8.918 ( 2.843 -2.442 -0.591) 3.794 8.979 ( -2.889 -1.846 -0.028) 3.428 9.071 ( -0.881 2.670 0.824) 2.930 9.278 ( -0.621 1.033 0.867) 1.485 9.315 ( 5.008 3.891 -2.608) 6.857 9.367 ( 0.389 -1.865 0.267) 1.923 9.482 ( 1.710 1.382 1.054) 2.439 9.643 ( -0.936 0.740 1.612) 2.005 10.211 ( 0.478 -0.685 0.620) 1.040 10.286 ( -0.899 3.638 1.082) 3.901 10.391 ( -6.552 1.568 -5.036) 8.411 10.569 ( 4.173 -0.454 1.061) 4.330 10.883 ( -2.883 5.398 6.658) 9.043 11.560 ( -2.709 -2.128 2.649) 4.346 11.866 ( 3.014 3.171 -4.988) 6.635 12.225 ( 2.580 -4.758 -3.448) 6.418 12.334 ( -3.350 3.554 -7.009) 8.543 12.628 ( 2.211 6.003 -4.195) 7.650 12.892 ( -6.497 -11.155 8.888) 15.674 13.265 ( -1.018 -4.374 0.684) 4.543 15.192 ( 2.973 1.660 -2.712) 4.353 15.525 ( 5.884 -3.289 -8.443) 10.804 15.935 ( -1.789 1.702 0.941) 2.642 16.080 ( -1.073 2.019 -2.552) 3.426 16.875 ( -1.943 -1.277 2.558) 3.457 16.913 ( -3.493 -1.290 4.484) 5.828 17.104 ( 2.608 0.554 -0.106) 2.669 17.248 ( -0.730 0.977 -2.176) 2.495 17.308 ( 0.785 1.069 1.440) 1.958 17.445 ( 0.813 1.982 -0.820) 2.294 17.491 ( -3.880 -2.774 1.816) 5.104 17.676 ( 0.767 -2.274 -0.213) 2.409 17.857 ( 0.280 -1.426 -1.142) 1.849 17.885 ( -0.044 0.269 1.107) 1.140 17.951 ( -0.611 -2.981 0.910) 3.176 18.160 ( 0.855 -2.299 -1.607) 2.933 18.271 ( -3.076 -3.213 -1.351) 4.649 18.391 ( 2.409 -6.137 1.811) 6.837 18.425 ( 1.386 -2.505 0.069) 2.863 18.648 ( 0.259 -4.679 -1.115) 4.817 20.670 ( -0.200 -0.480 0.759) 0.920 20.719 ( -0.797 -1.483 -0.191) 1.694 20.815 ( 0.594 -0.917 0.850) 1.384 20.885 ( 1.692 -2.540 0.901) 3.182 21.494 ( -0.838 0.883 0.931) 1.532 21.503 ( 0.052 0.805 1.043) 1.319 21.582 ( 0.349 1.358 -0.356) 1.446 21.676 ( 0.639 0.066 -2.375) 2.460 27.234 ( -0.328 -0.184 0.412) 0.558 27.251 ( -0.539 -0.208 0.339) 0.670 27.291 ( 0.353 0.398 -0.637) 0.830 27.314 ( 0.516 0.287 -0.044) 0.592 27.618 ( -0.272 1.309 0.228) 1.356 27.651 ( -0.606 1.278 -0.266) 1.439 27.679 ( 0.252 0.960 0.970) 1.388 27.727 ( 0.033 1.260 0.145) 1.268 35.126 ( -6.800 1.315 -1.649) 7.119 35.153 ( 7.318 1.303 -0.522) 7.452 35.398 ( 0.158 -0.232 2.730) 2.744 35.579 ( -1.298 0.111 0.839) 1.550 35.876 ( -1.067 -0.136 5.968) 6.064 36.126 ( 2.192 -1.654 -2.991) 4.060 36.249 ( -0.416 3.468 3.010) 4.610 36.886 ( 3.030 -5.246 -8.137) 10.145 39.229 ( -4.319 1.416 3.578) 5.785 39.351 ( -2.921 -2.139 8.367) 9.117 39.608 ( 0.800 -4.154 -1.140) 4.381 40.146 ( -5.265 -13.610 -8.092) 16.686 40.327 ( 9.056 4.389 1.962) 10.253 40.673 ( -5.345 14.238 -3.976) 15.719 40.812 ( -0.359 -3.049 7.002) 7.645 41.465 ( 2.127 -1.364 -5.144) 5.731 ======================= Grid point 56 (27/80) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 2.761 13.423 13.932) 19.542 1.811 ( 9.853 21.117 18.793) 29.936 2.297 ( 0.376 3.902 0.949) 4.033 2.642 ( 4.747 7.448 -4.510) 9.917 2.848 ( -1.248 15.763 -7.553) 17.524 2.872 ( -7.912 1.666 -3.379) 8.763 2.997 ( 0.490 13.199 2.286) 13.405 3.084 ( 4.630 5.935 -10.469) 12.894 3.144 ( 1.045 10.087 2.741) 10.505 3.291 ( -0.904 1.033 -0.980) 1.686 3.379 ( -7.820 -0.697 2.240) 8.164 3.539 ( 3.647 9.751 -3.602) 11.016 3.637 ( -3.395 3.968 -0.630) 5.260 3.701 ( -1.427 8.083 6.672) 10.577 3.795 ( -2.674 3.315 -0.374) 4.276 3.865 ( -1.879 -0.855 4.134) 4.621 3.907 ( -3.554 2.179 2.032) 4.637 4.058 ( -7.952 4.499 3.460) 9.770 4.136 ( -3.815 -1.411 1.868) 4.477 4.234 ( 9.554 1.670 5.569) 11.184 4.327 ( 7.871 -2.511 -3.012) 8.794 4.381 ( 2.769 3.263 3.770) 5.703 4.403 ( 2.542 4.494 2.839) 5.893 4.501 ( 2.367 -0.264 1.299) 2.713 4.544 ( 5.363 -0.030 4.967) 7.310 4.686 ( -1.225 0.474 -1.244) 1.809 4.723 ( 0.066 -1.701 -2.354) 2.905 4.806 ( 1.147 3.458 -4.987) 6.176 4.875 ( 3.195 3.989 0.360) 5.123 5.027 ( 2.418 -4.981 -2.447) 6.054 5.086 ( -0.940 -2.433 -0.818) 2.733 5.127 ( 6.161 0.233 1.196) 6.281 5.192 ( -5.832 0.843 -1.659) 6.122 5.354 ( 0.428 1.409 -2.012) 2.494 5.422 ( 7.610 -0.963 -11.985) 14.229 5.483 ( -2.195 -2.462 0.033) 3.299 5.524 ( -1.167 1.393 0.854) 2.008 5.574 ( -5.200 5.679 2.501) 8.095 5.717 ( -3.143 -1.190 -0.903) 3.480 5.744 ( -8.685 -1.324 0.395) 8.794 5.821 ( 0.447 -0.083 -6.112) 6.129 5.891 ( -1.198 -1.185 -0.770) 1.852 5.921 ( -9.071 -4.737 -1.818) 10.394 6.067 ( 2.587 -2.951 -2.288) 4.542 6.106 ( 0.628 -2.378 -0.995) 2.653 6.182 ( -3.614 0.261 6.997) 7.879 6.219 ( -7.173 2.631 -0.458) 7.654 6.289 ( 4.520 -0.285 1.462) 4.759 6.444 ( 2.760 5.281 0.546) 5.984 6.556 ( -3.530 -4.428 0.132) 5.664 6.617 ( 0.247 2.013 3.227) 3.811 6.726 ( -0.232 -3.688 1.144) 3.869 6.740 ( 1.702 2.359 -0.215) 2.917 6.799 ( 0.173 -3.272 -4.763) 5.781 6.845 ( -0.754 -2.033 -3.072) 3.760 6.901 ( -0.563 -0.497 3.973) 4.043 6.921 ( 1.270 -1.005 2.959) 3.373 6.951 ( 1.653 1.300 -2.074) 2.953 7.004 ( -0.108 3.986 2.474) 4.692 7.097 ( 2.144 -1.005 1.002) 2.571 7.168 ( -1.259 1.162 -1.750) 2.449 7.232 ( -0.159 -0.296 2.300) 2.324 7.256 ( 2.043 4.139 4.575) 6.499 7.322 ( -0.871 -1.877 0.560) 2.144 7.342 ( 0.849 4.040 2.456) 4.804 7.426 ( 0.186 -0.323 -0.383) 0.534 7.471 ( 1.361 -1.034 -1.126) 2.046 7.574 ( 0.213 -1.712 -1.008) 1.998 7.594 ( -2.984 -0.521 5.836) 6.575 7.660 ( -1.401 0.732 -2.473) 2.935 7.785 ( 1.079 -0.654 0.704) 1.445 7.879 ( 3.824 3.028 -0.311) 4.888 7.914 ( 8.851 0.345 -1.675) 9.015 7.928 ( 1.907 0.903 1.389) 2.526 7.947 ( 1.074 -4.520 3.334) 5.718 8.097 ( 5.516 -2.266 3.342) 6.836 8.141 ( 1.565 2.919 0.361) 3.331 8.215 ( 0.720 -3.907 4.206) 5.786 8.285 ( -1.154 -0.167 -2.859) 3.088 8.331 ( -0.459 -3.934 -2.757) 4.826 8.384 ( -2.552 -3.193 -1.441) 4.334 8.496 ( 2.679 -2.492 -0.897) 3.767 8.638 ( 3.852 -1.644 -2.558) 4.908 8.648 ( 0.804 4.664 -4.104) 6.265 8.805 ( -6.554 -3.017 -4.676) 8.598 8.969 ( -1.723 1.113 0.346) 2.080 9.022 ( -5.152 1.626 1.828) 5.703 9.208 ( -4.620 -2.589 -2.857) 6.017 9.372 ( -0.158 1.382 -2.737) 3.070 9.384 ( 2.399 7.266 1.255) 7.754 9.558 ( 2.093 0.470 2.459) 3.263 9.671 ( 2.598 -2.450 1.904) 4.046 10.164 ( -7.145 4.275 -1.880) 8.535 10.235 ( -0.150 6.310 -0.457) 6.329 10.316 ( 0.157 -2.987 2.116) 3.663 10.638 ( 3.348 -1.759 -2.085) 4.319 10.906 ( -1.804 4.238 6.481) 7.950 11.525 ( -2.664 -1.424 1.367) 3.316 11.838 ( 1.678 4.459 -8.675) 9.897 12.241 ( 0.733 -0.287 -1.264) 1.489 12.261 ( 0.094 -1.247 1.743) 2.145 12.617 ( 1.165 6.636 -4.264) 7.974 12.790 ( -9.186 -10.195 4.573) 14.465 13.274 ( 0.437 -3.777 1.506) 4.090 15.233 ( 3.133 3.633 -2.036) 5.212 15.493 ( -0.062 -4.306 -8.669) 9.679 15.914 ( -1.547 1.375 1.578) 2.603 16.009 ( -2.673 3.437 -1.808) 4.715 16.842 ( -3.351 -0.489 1.964) 3.915 16.895 ( -2.926 -2.170 4.911) 6.115 17.142 ( -0.107 1.941 0.388) 1.983 17.231 ( 1.421 0.362 -1.546) 2.131 17.328 ( 0.622 1.384 0.241) 1.537 17.429 ( 0.423 1.213 0.164) 1.295 17.488 ( -0.032 -2.912 0.591) 2.972 17.665 ( -1.725 -1.594 0.264) 2.364 17.869 ( 1.922 -0.716 -0.879) 2.232 17.907 ( 1.439 -1.059 0.098) 1.789 17.952 ( 0.127 -3.865 0.339) 3.882 18.135 ( -1.648 -2.330 -1.705) 3.324 18.198 ( -3.413 -1.620 0.466) 3.806 18.441 ( 2.376 -2.660 -2.195) 4.188 18.458 ( 0.642 -5.432 2.610) 6.061 18.656 ( 1.633 -5.868 -0.398) 6.104 20.679 ( 0.126 -1.052 0.984) 1.446 20.701 ( -0.761 -1.227 -0.259) 1.467 20.834 ( 0.382 -0.901 0.607) 1.151 20.904 ( -0.383 -2.844 0.324) 2.888 21.488 ( -0.959 1.343 1.216) 2.050 21.514 ( 0.116 0.594 0.791) 0.996 21.585 ( 0.407 1.223 -0.354) 1.337 21.640 ( -1.391 1.212 -1.871) 2.628 27.214 ( -1.486 0.421 0.368) 1.588 27.261 ( 0.670 -0.460 0.222) 0.843 27.290 ( 0.398 0.296 -0.654) 0.821 27.326 ( 0.412 -0.635 0.076) 0.761 27.615 ( -0.240 1.165 0.224) 1.211 27.637 ( -0.709 1.128 0.112) 1.337 27.691 ( 0.105 1.332 0.697) 1.507 27.725 ( -0.273 1.325 -0.070) 1.354 35.055 ( 0.284 1.909 -0.149) 1.936 35.347 ( 5.860 -4.248 0.231) 7.241 35.421 ( 5.976 1.344 -1.592) 6.329 35.605 ( 2.774 0.786 0.833) 3.001 35.916 ( -0.608 -1.674 4.369) 4.718 36.111 ( -1.011 -1.888 -2.109) 3.006 36.250 ( -3.213 2.640 3.868) 5.679 36.851 ( 2.000 -2.913 -7.128) 7.956 39.190 ( -3.557 1.960 4.220) 5.857 39.368 ( -3.206 -1.630 6.499) 7.428 39.644 ( 2.900 -6.502 1.610) 7.299 39.957 ( -4.608 -9.189 -6.398) 12.108 40.423 ( -2.359 10.793 -2.848) 11.409 40.655 ( 7.490 2.281 2.283) 8.156 40.843 ( -2.316 0.208 2.154) 3.169 41.449 ( 1.698 -0.955 -4.732) 5.118 ======================= Grid point 57 (28/80) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -4.336 -2.090 3.546) 5.979 2.104 ( -2.865 14.406 8.143) 16.794 2.347 ( 6.609 5.085 -1.530) 8.478 2.590 ( 0.861 30.349 1.931) 30.422 2.659 ( -5.948 -1.919 -0.024) 6.250 2.852 ( 1.032 8.245 -6.250) 10.398 2.971 ( -1.609 13.975 -5.360) 15.053 3.029 ( 3.337 2.978 -0.203) 4.477 3.146 ( -0.207 4.381 -0.949) 4.488 3.271 ( -0.374 -0.947 -4.145) 4.268 3.357 ( 2.508 0.635 0.392) 2.617 3.595 ( 3.648 1.968 1.881) 4.552 3.613 ( -0.863 8.298 -4.024) 9.262 3.704 ( -5.988 4.925 8.650) 11.616 3.773 ( -0.626 0.643 -0.743) 1.165 3.892 ( -5.462 6.415 2.217) 8.712 3.900 ( 1.205 1.559 0.523) 2.039 3.962 ( -3.217 4.787 5.031) 7.653 4.082 ( -3.887 0.518 3.181) 5.049 4.319 ( 0.379 2.729 1.159) 2.989 4.384 ( 2.749 2.173 1.222) 3.711 4.397 ( -2.581 4.146 -3.194) 5.835 4.523 ( -0.382 -1.927 -0.653) 2.070 4.538 ( 2.491 1.423 3.183) 4.285 4.673 ( 1.735 1.124 -2.610) 3.330 4.699 ( 1.038 -2.458 -0.841) 2.798 4.756 ( 1.103 0.507 -0.442) 1.292 4.873 ( 7.227 0.548 -0.486) 7.264 4.899 ( 6.789 2.495 -2.122) 7.538 4.928 ( -2.688 1.522 -4.440) 5.409 5.066 ( 2.118 -0.534 0.567) 2.257 5.160 ( -2.232 2.519 3.925) 5.170 5.283 ( -5.505 5.611 -1.359) 7.977 5.306 ( 0.069 -0.273 -1.230) 1.262 5.351 ( 2.055 -1.185 -2.288) 3.296 5.387 ( 0.322 -2.175 1.303) 2.556 5.503 ( 1.441 -2.283 -5.317) 5.963 5.597 ( -3.626 1.492 -0.913) 4.025 5.616 ( 1.122 1.563 3.973) 4.414 5.713 ( -0.439 4.323 -0.172) 4.349 5.771 ( 1.127 -4.565 -0.487) 4.727 5.887 ( 4.196 -1.779 0.619) 4.599 5.904 ( -0.230 -2.800 4.906) 5.654 5.998 ( -9.085 2.168 1.282) 9.427 6.095 ( -0.422 -1.670 -0.010) 1.723 6.177 ( 4.296 4.817 -0.931) 6.521 6.219 ( 0.256 -4.592 3.951) 6.063 6.318 ( 0.164 -0.162 0.516) 0.565 6.426 ( -6.740 -3.635 -0.783) 7.698 6.520 ( 0.879 5.059 3.987) 6.500 6.639 ( -1.368 -1.644 2.470) 3.267 6.698 ( -2.791 -0.187 -6.847) 7.396 6.720 ( -2.448 -2.064 -2.687) 4.180 6.774 ( 3.250 -0.121 -0.779) 3.344 6.845 ( 1.556 -4.112 -4.749) 6.472 6.905 ( -0.673 0.647 3.457) 3.581 6.953 ( 3.610 2.391 -0.405) 4.349 6.981 ( -2.394 0.551 0.379) 2.486 7.027 ( 0.581 -1.130 2.393) 2.709 7.115 ( -2.012 0.481 3.115) 3.739 7.154 ( -0.247 2.100 -1.695) 2.710 7.224 ( -1.284 1.203 5.895) 6.152 7.321 ( 0.948 -4.719 0.333) 4.824 7.323 ( -0.400 3.471 -1.908) 3.981 7.388 ( 2.561 3.725 -1.262) 4.694 7.444 ( 0.350 -3.605 0.758) 3.701 7.501 ( 3.804 -1.072 -1.084) 4.098 7.545 ( -1.461 -0.934 -0.375) 1.774 7.575 ( 2.199 2.530 -5.103) 6.105 7.659 ( -0.886 -0.636 2.648) 2.864 7.751 ( -5.349 1.820 1.944) 5.975 7.870 ( -0.286 -0.518 0.626) 0.862 7.995 ( 0.970 -0.530 1.022) 1.506 8.030 ( 0.992 -4.243 1.401) 4.577 8.038 ( 5.014 -4.950 -2.432) 7.453 8.107 ( -1.797 3.779 -2.915) 5.100 8.178 ( -0.614 -2.629 -4.132) 4.936 8.242 ( 1.806 -0.701 -3.736) 4.208 8.291 ( -0.908 -1.552 -1.028) 2.071 8.343 ( 2.014 -3.895 5.107) 6.732 8.364 ( 5.541 4.158 2.406) 7.334 8.523 ( 0.906 -3.147 -2.067) 3.872 8.595 ( -6.961 4.971 0.897) 8.601 8.644 ( 3.089 1.101 0.317) 3.295 8.755 ( 1.885 -2.979 -0.180) 3.530 8.923 ( -2.079 0.605 -2.193) 3.082 8.973 ( -1.185 4.727 -1.468) 5.090 9.089 ( -2.229 -2.230 0.062) 3.154 9.318 ( -1.498 0.443 -3.261) 3.616 9.430 ( 0.994 5.388 2.350) 5.962 9.560 ( -0.420 1.982 -4.362) 4.809 9.739 ( 0.726 -4.912 2.242) 5.448 10.086 ( -0.765 7.594 2.740) 8.109 10.234 ( -0.056 2.939 -1.142) 3.154 10.339 ( -0.207 -3.852 2.437) 4.563 10.657 ( 1.402 -2.266 -3.229) 4.187 10.933 ( -2.324 3.475 6.138) 7.426 11.500 ( -0.976 -0.619 1.242) 1.696 11.791 ( 2.322 4.262 -7.043) 8.553 12.251 ( 1.234 -1.733 -1.976) 2.904 12.341 ( 1.994 -3.114 10.530) 11.160 12.598 ( 0.698 4.843 -2.636) 5.558 12.677 ( -5.570 -6.032 1.288) 8.311 13.299 ( -0.238 -3.813 2.513) 4.573 15.259 ( 3.084 7.682 -4.756) 9.547 15.394 ( -0.754 -5.024 -6.505) 8.254 15.914 ( -0.712 1.494 2.954) 3.386 15.975 ( -0.312 3.837 0.701) 3.913 16.814 ( -1.995 -0.144 3.222) 3.793 16.893 ( -2.391 -2.703 4.454) 5.733 17.113 ( -1.282 3.964 -1.356) 4.381 17.253 ( 0.691 -0.815 0.061) 1.070 17.361 ( 3.111 0.661 -0.847) 3.292 17.459 ( 1.548 -0.649 0.843) 1.879 17.468 ( -2.251 -2.067 -0.514) 3.099 17.631 ( -1.937 -0.722 0.905) 2.256 17.901 ( 1.444 -0.714 0.064) 1.612 17.917 ( -0.712 -1.134 0.399) 1.397 17.986 ( 4.203 -4.111 -1.417) 6.047 18.075 ( -2.970 -2.725 -1.225) 4.213 18.166 ( -1.232 -0.850 2.058) 2.544 18.449 ( 1.528 -1.918 -3.127) 3.974 18.483 ( -0.639 -6.567 1.626) 6.795 18.675 ( 0.693 -6.643 -1.573) 6.862 20.685 ( -0.595 -0.595 0.055) 0.843 20.693 ( 0.175 -1.491 0.991) 1.798 20.837 ( 0.001 -0.552 -0.568) 0.792 20.884 ( -1.156 -1.914 -1.035) 2.464 21.483 ( -0.793 1.478 1.207) 2.066 21.520 ( -0.217 0.554 0.511) 0.784 21.591 ( 0.586 1.049 -0.606) 1.346 21.604 ( -0.549 1.735 -1.148) 2.152 27.197 ( -0.657 0.839 0.554) 1.201 27.275 ( 0.377 -0.740 0.374) 0.911 27.294 ( 0.720 -0.025 -0.909) 1.160 27.327 ( -0.430 -0.668 0.148) 0.808 27.616 ( 0.015 0.990 0.355) 1.052 27.629 ( -0.447 0.855 0.608) 1.141 27.695 ( -0.358 1.507 0.219) 1.565 27.719 ( -0.026 1.564 -0.203) 1.577 35.098 ( 2.685 2.142 1.096) 3.605 35.327 ( -3.923 -2.986 2.000) 5.320 35.588 ( 8.587 -0.003 -4.075) 9.505 35.687 ( 5.580 0.675 0.403) 5.635 35.906 ( -2.750 -3.104 -2.765) 4.984 36.064 ( -2.933 -4.394 2.319) 5.770 36.212 ( -3.795 3.737 2.975) 6.101 36.836 ( 2.965 -1.597 -5.295) 6.275 39.186 ( -2.054 2.473 5.736) 6.576 39.366 ( -2.723 -0.847 4.830) 5.609 39.705 ( -0.390 -8.421 0.674) 8.456 39.861 ( 1.173 -11.252 -3.885) 11.962 40.366 ( 0.778 14.412 -1.226) 14.485 40.761 ( -6.170 -2.082 1.971) 6.803 40.841 ( 6.597 0.766 1.380) 6.783 41.442 ( 1.963 -0.980 -3.730) 4.328 ======================= Grid point 58 (29/80) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -15.689 15.078 -4.719) 22.265 1.929 ( -15.409 14.457 2.923) 21.330 2.382 ( -4.889 6.049 1.815) 7.986 2.603 ( 6.525 -0.576 -6.958) 9.556 2.767 ( -1.767 8.661 -3.750) 9.602 2.871 ( 9.241 26.441 13.329) 31.019 3.003 ( 4.969 13.664 -9.147) 17.178 3.089 ( 4.817 4.426 -2.845) 7.134 3.172 ( 2.125 3.523 4.775) 6.303 3.250 ( 2.262 -7.097 3.040) 8.045 3.392 ( 0.762 1.976 -1.670) 2.697 3.532 ( -2.493 10.710 0.573) 11.011 3.673 ( -2.303 1.223 -4.458) 5.164 3.687 ( 0.236 9.240 -2.721) 9.635 3.736 ( -1.073 0.886 2.775) 3.105 3.816 ( -2.137 5.250 5.749) 8.073 3.903 ( -2.281 0.780 3.398) 4.166 3.946 ( 2.901 -1.319 -6.957) 7.652 4.044 ( -2.022 0.623 5.243) 5.654 4.272 ( -5.498 -0.278 -1.327) 5.663 4.336 ( -1.469 3.254 -1.624) 3.922 4.418 ( -1.641 -0.845 -3.300) 3.781 4.450 ( -0.675 1.940 1.790) 2.724 4.489 ( -9.393 6.408 0.352) 11.376 4.603 ( -3.176 -2.078 -0.588) 3.841 4.715 ( 0.033 -1.745 -0.332) 1.776 4.754 ( 1.101 -1.714 -0.493) 2.096 4.811 ( -2.603 3.188 -3.685) 5.524 4.896 ( 1.547 -1.387 -1.413) 2.512 5.064 ( -2.644 -4.377 -2.780) 5.821 5.092 ( 0.202 -1.932 -0.072) 1.944 5.232 ( -2.172 -3.235 -0.022) 3.897 5.292 ( 5.318 3.377 7.976) 10.163 5.343 ( 5.268 5.208 0.729) 7.444 5.371 ( -0.734 -1.215 2.673) 3.026 5.396 ( 6.926 2.022 -4.412) 8.457 5.557 ( 4.222 2.179 -0.991) 4.854 5.603 ( 4.076 6.606 8.015) 11.157 5.641 ( -2.646 -1.335 -3.130) 4.310 5.731 ( 1.824 -1.776 -0.821) 2.675 5.777 ( 4.744 0.616 -2.857) 5.572 5.921 ( 5.365 -5.813 2.290) 8.235 5.946 ( -2.322 -3.326 5.260) 6.642 6.067 ( 3.635 4.664 6.510) 8.795 6.091 ( 2.361 -0.142 2.006) 3.101 6.220 ( -2.340 0.462 2.622) 3.545 6.253 ( 0.826 -1.941 -2.071) 2.956 6.264 ( -4.523 2.171 0.939) 5.104 6.397 ( 2.292 -3.968 -2.414) 5.179 6.519 ( -1.996 1.623 -0.313) 2.591 6.597 ( -0.006 -0.223 -5.183) 5.187 6.623 ( -2.244 0.837 3.473) 4.219 6.697 ( 2.694 -1.490 -2.895) 4.226 6.752 ( -2.302 -0.868 -2.848) 3.764 6.832 ( -2.914 2.444 -0.265) 3.813 6.891 ( -1.344 -1.269 0.073) 1.850 6.900 ( -1.730 -1.773 -0.745) 2.587 7.036 ( 3.345 -1.108 -1.919) 4.012 7.056 ( 0.443 3.738 0.376) 3.783 7.107 ( -0.478 5.141 1.506) 5.378 7.158 ( 0.769 -0.714 2.054) 2.307 7.270 ( -6.380 -1.688 -0.372) 6.610 7.286 ( -0.914 -1.887 4.838) 5.273 7.308 ( -1.081 -4.369 0.743) 4.562 7.360 ( -0.232 2.215 -1.206) 2.533 7.429 ( -1.522 1.299 -0.794) 2.152 7.452 ( -0.844 0.586 -1.389) 1.728 7.568 ( 1.718 2.574 -2.009) 3.690 7.640 ( -3.470 -1.176 3.292) 4.926 7.673 ( 5.794 1.823 -1.113) 6.176 7.726 ( -0.015 -3.101 -0.143) 3.104 7.841 ( -0.960 -2.337 0.028) 2.527 7.961 ( -4.059 -5.754 -3.897) 8.048 7.994 ( -2.953 6.186 -0.249) 6.859 8.015 ( -2.793 -3.522 -2.477) 5.132 8.077 ( -0.873 0.238 -4.515) 4.605 8.091 ( -4.758 -1.631 -2.033) 5.425 8.142 ( -1.085 0.707 -2.314) 2.652 8.288 ( 1.090 -3.941 -2.823) 4.969 8.427 ( 0.561 -2.498 0.784) 2.677 8.471 ( -1.747 3.992 4.051) 5.949 8.535 ( 0.135 -1.287 6.563) 6.689 8.606 ( 8.733 0.323 0.311) 8.744 8.710 ( -3.669 -5.258 -3.027) 7.090 8.786 ( 3.257 -0.323 -1.937) 3.803 8.840 ( 2.906 6.751 -1.157) 7.440 8.956 ( 1.583 4.078 1.832) 4.743 9.167 ( 5.319 1.162 -0.518) 5.469 9.286 ( 1.360 -2.124 -1.037) 2.727 9.464 ( -0.397 -1.160 -4.966) 5.115 9.484 ( -1.249 7.010 0.314) 7.127 9.724 ( -3.308 -4.532 0.386) 5.624 10.161 ( 3.072 6.530 4.579) 8.547 10.219 ( 0.760 4.234 -0.002) 4.302 10.352 ( -0.998 -2.069 2.015) 3.056 10.635 ( 0.165 -4.676 -3.598) 5.902 10.927 ( -4.220 4.299 5.117) 7.904 11.520 ( 0.861 -0.385 2.660) 2.822 11.793 ( 3.570 3.034 -4.213) 6.301 12.239 ( 0.856 -3.602 -3.750) 5.269 12.516 ( 6.428 -5.679 -0.753) 8.611 12.591 ( -6.105 -2.890 14.604) 16.091 12.623 ( 2.502 5.101 -1.999) 6.023 13.308 ( -1.359 -4.374 2.208) 5.085 15.248 ( 0.512 4.625 -4.652) 6.580 15.375 ( 6.550 -1.412 -8.095) 10.508 15.941 ( -0.365 1.391 3.496) 3.780 16.004 ( 1.860 4.885 2.169) 5.659 16.832 ( -0.430 -0.414 4.611) 4.649 16.894 ( -1.813 -2.204 4.178) 5.060 17.085 ( 0.282 3.496 -2.317) 4.204 17.258 ( 0.133 -0.304 0.285) 0.438 17.378 ( -2.765 0.343 -1.033) 2.972 17.421 ( 0.358 -1.253 -0.930) 1.601 17.501 ( 1.455 -1.423 2.067) 2.901 17.626 ( 0.689 -1.344 0.461) 1.579 17.900 ( -0.974 -0.634 0.140) 1.171 17.916 ( -0.597 -0.899 0.174) 1.093 18.005 ( -2.837 -2.603 -0.991) 3.976 18.068 ( 5.297 -3.284 -1.200) 6.347 18.192 ( 1.168 -2.071 3.393) 4.143 18.434 ( -0.105 -3.616 -2.976) 4.684 18.465 ( -1.899 -4.959 -0.002) 5.310 18.650 ( -0.547 -5.740 -2.434) 6.259 20.677 ( -0.584 -0.052 0.536) 0.794 20.708 ( 0.303 -1.571 1.086) 1.934 20.829 ( 0.157 -0.182 -1.074) 1.100 20.846 ( -0.810 -1.070 -2.329) 2.688 21.483 ( -0.447 1.282 1.145) 1.776 21.516 ( -0.641 0.574 0.371) 0.937 21.584 ( -0.022 1.279 -0.817) 1.518 21.613 ( 1.993 1.529 -0.865) 2.657 27.201 ( 0.326 0.691 0.772) 1.086 27.280 ( -0.456 -0.866 0.624) 1.161 27.295 ( 0.498 -0.261 -1.239) 1.360 27.319 ( -0.389 -0.008 0.118) 0.407 27.619 ( -0.126 1.044 0.414) 1.131 27.636 ( 0.308 0.552 1.054) 1.229 27.684 ( -0.570 1.618 -0.296) 1.741 27.720 ( 0.237 1.494 -0.120) 1.518 35.126 ( -2.524 1.678 2.491) 3.923 35.304 ( 0.893 -2.545 0.702) 2.787 35.631 ( -0.794 0.210 -2.147) 2.298 35.741 ( -9.445 -3.852 -4.561) 11.173 35.798 ( 3.702 0.476 1.458) 4.007 36.061 ( 0.171 -5.306 1.561) 5.534 36.188 ( -0.553 5.133 1.352) 5.337 36.853 ( 4.274 -2.741 -5.370) 7.390 39.221 ( -1.369 2.275 7.128) 7.607 39.360 ( -3.530 -0.758 5.308) 6.420 39.645 ( -2.345 -6.218 -2.114) 6.974 39.910 ( 5.969 -8.867 -2.975) 11.095 40.438 ( 4.383 10.797 3.368) 12.129 40.634 ( -5.515 -2.189 -2.581) 6.471 40.938 ( -0.435 -1.525 4.085) 4.382 41.448 ( 2.737 -1.401 -3.973) 5.024 ======================= Grid point 59 (30/80) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -6.245 28.383 8.450) 30.265 1.647 ( -17.170 25.682 7.895) 31.886 2.319 ( -4.028 3.183 2.416) 5.674 2.579 ( -1.829 2.661 -3.722) 4.927 2.750 ( -3.013 28.764 3.444) 29.126 2.898 ( 4.563 13.485 -8.984) 16.834 3.004 ( -0.126 5.149 -3.675) 6.327 3.225 ( 4.490 6.406 -5.526) 9.578 3.269 ( 5.019 6.217 -1.434) 8.118 3.362 ( -2.045 2.925 1.284) 3.793 3.423 ( 4.897 -5.996 9.080) 11.932 3.605 ( 5.464 2.623 -2.102) 6.415 3.632 ( 8.011 2.545 5.323) 9.949 3.683 ( 3.897 9.010 -4.663) 10.868 3.718 ( -1.434 2.219 3.381) 4.291 3.807 ( -3.745 -0.404 -3.348) 5.040 3.888 ( 1.516 -3.569 -7.760) 8.675 3.963 ( -0.955 3.515 6.126) 7.127 4.074 ( -2.079 0.985 2.523) 3.415 4.157 ( -4.486 3.684 1.372) 5.965 4.291 ( -3.953 0.212 -0.266) 3.967 4.322 ( -3.349 1.506 0.345) 3.689 4.387 ( -0.681 1.705 0.069) 1.838 4.507 ( -4.110 1.686 4.819) 6.554 4.563 ( 4.943 4.983 4.548) 8.363 4.659 ( -8.628 0.080 2.130) 8.888 4.726 ( 0.493 0.531 -1.601) 1.757 4.793 ( 0.405 1.444 -1.841) 2.375 4.862 ( -7.002 -3.041 -3.326) 8.327 4.959 ( 2.312 -3.691 0.660) 4.405 5.069 ( -0.758 -4.928 -2.069) 5.398 5.178 ( -1.123 -5.304 -4.768) 7.220 5.362 ( 0.025 4.934 0.917) 5.018 5.395 ( -3.466 3.021 0.551) 4.631 5.449 ( 2.076 -2.321 -1.729) 3.562 5.466 ( 0.982 -3.527 -0.395) 3.683 5.567 ( 3.295 -0.842 3.829) 5.121 5.657 ( -0.332 0.879 2.221) 2.411 5.726 ( 11.341 2.519 2.396) 11.862 5.802 ( 4.857 1.696 -7.649) 9.218 5.909 ( 2.538 -3.026 -1.738) 4.315 5.969 ( 3.371 -3.171 0.870) 4.709 6.018 ( 2.554 -1.783 1.146) 3.319 6.091 ( -4.742 3.065 0.016) 5.647 6.149 ( -3.004 -3.357 0.886) 4.591 6.165 ( -3.456 -0.241 2.841) 4.480 6.182 ( -1.696 -2.747 -0.211) 3.235 6.296 ( 3.284 2.861 0.927) 4.453 6.441 ( 7.098 2.331 -0.746) 7.508 6.494 ( 2.140 0.780 -5.262) 5.734 6.591 ( -2.030 -1.223 2.319) 3.315 6.621 ( -2.488 2.582 5.413) 6.493 6.663 ( -1.272 -0.713 -1.488) 2.083 6.750 ( 2.976 -3.441 -0.249) 4.556 6.825 ( 5.119 3.697 -1.985) 6.619 6.866 ( -1.272 3.509 0.331) 3.747 6.908 ( 1.409 0.060 0.413) 1.469 7.004 ( -2.509 -3.801 -2.265) 5.087 7.021 ( -4.804 2.168 -0.658) 5.311 7.126 ( 1.697 3.028 1.232) 3.684 7.173 ( -0.827 -2.081 3.364) 4.041 7.195 ( -2.612 -4.460 1.985) 5.537 7.264 ( -3.038 4.084 -2.258) 5.569 7.289 ( -1.269 -5.992 1.144) 6.231 7.347 ( -2.366 0.339 1.748) 2.961 7.424 ( -0.347 -0.845 0.151) 0.926 7.481 ( 2.457 6.146 4.578) 8.048 7.548 ( -4.859 1.302 3.006) 5.860 7.591 ( -1.094 1.984 -1.077) 2.509 7.681 ( -0.595 2.070 -1.190) 2.461 7.728 ( 1.463 -2.041 -2.002) 3.212 7.821 ( -4.744 -2.718 -3.507) 6.496 7.870 ( 0.626 -2.402 -1.197) 2.756 7.917 ( -1.780 0.451 -2.155) 2.831 7.972 ( -1.906 -2.155 2.859) 4.056 7.995 ( -1.447 -1.972 -2.374) 3.409 8.052 ( 1.941 2.777 0.830) 3.488 8.092 ( -5.697 0.947 1.757) 6.036 8.317 ( 2.288 -5.232 -2.961) 6.433 8.402 ( 0.542 -3.454 -2.276) 4.172 8.458 ( -5.427 -4.661 2.328) 7.523 8.566 ( 0.811 3.101 3.368) 4.650 8.630 ( -0.117 -2.498 -2.281) 3.385 8.735 ( 3.310 2.634 -7.465) 8.580 8.800 ( 6.091 -0.497 0.079) 6.112 8.993 ( 3.478 1.687 5.737) 6.918 9.012 ( 3.130 3.829 -0.130) 4.947 9.239 ( 3.965 3.244 -0.826) 5.189 9.315 ( -0.883 -2.067 -4.108) 4.683 9.357 ( 1.268 0.100 -3.407) 3.637 9.489 ( -2.077 1.301 1.371) 2.809 9.663 ( -2.557 -0.597 0.588) 2.691 10.194 ( 0.251 -1.133 0.720) 1.365 10.295 ( 0.245 5.386 1.042) 5.491 10.389 ( 4.805 5.236 3.367) 7.864 10.581 ( -2.522 -6.223 -3.526) 7.584 10.892 ( -4.536 5.618 5.655) 9.172 11.562 ( -0.645 -1.550 3.768) 4.125 11.833 ( 4.337 2.909 -3.518) 6.296 12.222 ( 1.581 -4.386 -3.920) 6.091 12.465 ( -1.701 -1.074 -7.952) 8.202 12.619 ( 2.933 4.793 -4.007) 6.902 12.805 ( 1.215 -7.531 17.308) 18.915 13.292 ( -2.052 -4.986 1.178) 5.519 15.200 ( 0.260 1.086 -4.834) 4.961 15.455 ( 9.545 -0.112 -8.616) 12.859 15.952 ( -1.356 1.524 2.027) 2.876 16.071 ( 2.604 3.839 0.721) 4.694 16.868 ( -1.050 -1.084 4.379) 4.632 16.911 ( -1.219 -1.345 4.521) 4.872 17.076 ( 1.410 1.889 -2.220) 3.238 17.272 ( 0.691 0.462 0.440) 0.941 17.304 ( -2.329 0.492 -1.346) 2.735 17.427 ( 0.618 -0.016 -0.083) 0.623 17.537 ( -1.525 -2.057 3.089) 4.012 17.651 ( 1.763 -2.171 -0.643) 2.869 17.878 ( -1.152 -1.753 -0.757) 2.230 17.890 ( -1.520 1.171 0.729) 2.052 17.963 ( -1.328 -2.854 0.212) 3.155 18.137 ( 3.264 -2.704 -1.722) 4.575 18.270 ( 2.632 -3.467 3.227) 5.419 18.383 ( -2.081 -5.981 -1.949) 6.625 18.427 ( -0.910 -2.804 -1.353) 3.244 18.639 ( 1.312 -4.251 -0.868) 4.533 20.671 ( -0.636 -0.026 0.700) 0.945 20.724 ( 0.080 -1.537 0.894) 1.780 20.810 ( -0.485 -0.790 -0.738) 1.185 20.843 ( 2.036 -0.512 -0.850) 2.265 21.489 ( -0.067 0.934 1.108) 1.451 21.506 ( -0.868 0.713 0.561) 1.255 21.580 ( 0.282 1.382 -0.543) 1.512 21.653 ( 3.156 0.790 -1.458) 3.565 27.220 ( 0.738 0.210 0.677) 1.024 27.269 ( -1.218 -0.679 0.564) 1.504 27.291 ( 0.426 0.183 -1.161) 1.250 27.314 ( -0.250 0.464 0.001) 0.527 27.620 ( -0.203 1.233 0.350) 1.297 27.655 ( 0.337 0.507 0.889) 1.078 27.671 ( -0.327 1.529 -0.150) 1.570 27.724 ( 0.159 1.364 0.004) 1.373 35.090 ( -1.544 1.095 1.330) 2.313 35.350 ( 1.124 -2.419 1.901) 3.276 35.400 ( -13.736 -0.910 -6.301) 15.140 35.623 ( -3.986 0.886 1.662) 4.409 35.846 ( -1.290 0.405 4.953) 5.135 36.095 ( 3.540 -3.380 -2.517) 5.504 36.214 ( 1.224 4.780 1.667) 5.209 36.883 ( 4.929 -4.989 -6.846) 9.801 39.257 ( -2.562 1.901 5.931) 6.735 39.337 ( -4.191 -1.843 6.409) 7.876 39.613 ( 0.134 -4.399 -1.135) 4.545 40.042 ( 11.322 -6.342 -2.254) 13.172 40.416 ( -7.460 -0.913 -4.030) 8.528 40.642 ( 5.146 6.244 4.253) 9.141 40.886 ( -8.081 -0.963 2.179) 8.425 41.463 ( 3.125 -1.554 -4.621) 5.791 ======================= Grid point 60 (31/80) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -2.963 23.217 11.500) 26.078 2.132 ( -2.818 25.117 8.327) 26.611 2.364 ( -1.009 2.555 3.052) 4.107 2.596 ( 3.304 4.071 -0.273) 5.250 2.908 ( 0.646 -13.038 -3.561) 13.532 3.029 ( -0.841 3.816 -7.792) 8.717 3.083 ( 2.401 5.304 1.230) 5.951 3.190 ( 1.912 -3.470 -3.166) 5.072 3.328 ( -0.376 -6.205 -0.441) 6.232 3.453 ( 0.723 3.415 -0.733) 3.567 3.557 ( 1.157 -6.253 -2.649) 6.889 3.618 ( 1.698 -0.923 -1.061) 2.205 3.692 ( -4.504 12.209 -2.279) 13.211 3.798 ( -1.118 7.324 5.141) 9.017 3.950 ( 1.068 4.759 3.081) 5.769 3.983 ( 5.128 9.753 4.311) 11.832 3.991 ( -0.536 1.341 0.624) 1.573 4.055 ( -1.406 3.208 0.151) 3.506 4.108 ( -2.689 4.771 -4.469) 7.069 4.178 ( 3.102 11.817 7.018) 14.090 4.275 ( 1.140 0.509 1.795) 2.187 4.309 ( 2.891 3.537 2.725) 5.320 4.429 ( 0.687 0.820 1.893) 2.174 4.541 ( -6.381 0.372 1.997) 6.697 4.583 ( -5.726 4.374 5.518) 9.076 4.683 ( 0.724 -1.904 -1.084) 2.308 4.788 ( -0.327 0.097 -0.146) 0.371 4.801 ( 1.486 0.097 -1.576) 2.168 4.838 ( 3.541 7.052 5.047) 9.367 4.934 ( 1.974 -1.358 -0.104) 2.398 4.991 ( 0.850 -2.569 -3.877) 4.728 5.072 ( 3.405 -0.665 -4.886) 5.993 5.224 ( -0.872 -5.672 -0.769) 5.790 5.386 ( 0.676 0.678 1.475) 1.758 5.425 ( -2.093 -1.991 -0.829) 3.005 5.471 ( -0.477 3.802 -1.621) 4.161 5.562 ( -4.938 -5.186 -4.548) 8.483 5.646 ( -2.255 -1.629 2.369) 3.653 5.756 ( -1.122 -8.558 1.890) 8.836 5.830 ( 0.480 -7.994 -3.861) 8.891 5.902 ( -1.315 -0.858 -1.135) 1.937 5.920 ( -2.492 -5.500 0.690) 6.078 5.946 ( -1.889 3.105 -0.536) 3.674 6.008 ( 1.743 3.473 -5.039) 6.363 6.035 ( -1.439 2.646 -4.304) 5.253 6.121 ( 5.811 3.170 2.386) 7.036 6.254 ( 1.771 1.432 -3.961) 4.569 6.434 ( -2.729 -2.174 -2.359) 4.211 6.480 ( 5.431 3.541 -2.641) 7.001 6.532 ( -2.295 1.040 0.094) 2.522 6.561 ( -1.596 -2.976 0.443) 3.406 6.650 ( 1.973 2.090 3.162) 4.273 6.670 ( 5.121 -3.003 4.945) 7.726 6.787 ( 2.563 -3.790 -0.599) 4.614 6.846 ( 2.108 0.828 -2.879) 3.663 6.871 ( -4.262 1.458 1.936) 4.903 6.918 ( -4.955 1.641 5.087) 7.288 6.985 ( -3.517 -1.072 3.179) 4.860 7.017 ( 0.068 -2.050 -2.048) 2.898 7.094 ( 3.603 -1.192 -1.902) 4.245 7.145 ( 1.416 -2.096 2.419) 3.500 7.156 ( -0.742 -2.162 0.411) 2.322 7.246 ( -0.270 1.334 2.989) 3.284 7.325 ( -4.294 3.191 2.513) 5.911 7.382 ( 2.616 1.269 0.540) 2.957 7.438 ( -2.288 1.769 1.981) 3.505 7.519 ( 1.484 5.630 -1.263) 5.958 7.561 ( -3.783 -0.833 3.235) 5.047 7.630 ( -2.467 -2.019 3.924) 5.056 7.649 ( 2.686 -0.348 1.836) 3.272 7.727 ( 0.671 -1.846 -3.348) 3.882 7.826 ( 3.628 6.660 -1.514) 7.733 7.852 ( 0.984 -4.400 -2.160) 4.999 7.894 ( -1.588 0.190 1.460) 2.166 7.933 ( 2.876 0.292 0.720) 2.979 7.951 ( 3.285 -0.298 1.634) 3.681 8.056 ( -1.429 -0.492 4.073) 4.344 8.192 ( 2.423 4.670 -1.682) 5.524 8.222 ( -1.453 -7.855 0.563) 8.008 8.261 ( 3.004 -1.025 -3.951) 5.068 8.366 ( -4.098 1.588 1.829) 4.761 8.549 ( -3.099 -2.091 -0.140) 3.742 8.613 ( -0.130 -0.554 -2.678) 2.738 8.773 ( 2.730 -1.368 -7.985) 8.549 8.839 ( 0.504 -0.556 -0.075) 0.754 8.966 ( 0.197 -1.107 0.068) 1.127 9.134 ( -2.408 3.248 -3.509) 5.353 9.251 ( -3.266 -2.429 -1.499) 4.337 9.330 ( 4.641 0.748 5.550) 7.273 9.379 ( 3.900 0.753 1.190) 4.147 9.580 ( 1.837 6.280 -2.115) 6.876 9.677 ( -1.260 1.584 -0.048) 2.025 10.187 ( -0.340 -0.305 2.322) 2.367 10.303 ( -2.834 -2.957 0.757) 4.165 10.436 ( -1.827 3.059 -3.127) 4.741 10.538 ( 2.709 -1.909 0.744) 3.396 11.045 ( -3.019 10.089 5.317) 11.797 11.458 ( -2.352 -7.845 2.667) 8.614 11.937 ( 2.101 4.182 -3.202) 5.670 12.127 ( 2.494 -4.868 -4.148) 6.864 12.412 ( -2.129 4.372 -4.070) 6.342 12.673 ( -1.800 -7.629 1.640) 8.008 12.787 ( -0.257 6.658 -1.607) 6.854 13.138 ( 0.903 -8.097 -1.723) 8.327 15.241 ( 1.668 3.540 -0.840) 4.002 15.440 ( 2.196 -5.041 -3.491) 6.513 15.980 ( -1.166 2.761 -0.265) 3.009 16.087 ( -0.373 -1.217 -2.601) 2.896 16.865 ( -2.102 0.231 2.865) 3.561 16.894 ( -3.380 -0.765 4.391) 5.594 17.144 ( 2.363 3.373 -1.387) 4.345 17.253 ( 0.452 -0.499 -2.608) 2.694 17.325 ( 0.740 0.769 1.561) 1.891 17.404 ( 0.890 -3.014 1.058) 3.316 17.502 ( -2.666 0.851 -0.899) 2.940 17.592 ( 0.562 -4.931 -0.347) 4.975 17.831 ( 0.023 -0.906 0.526) 1.047 17.877 ( -0.828 -2.981 0.752) 3.184 17.927 ( -0.818 2.779 0.925) 3.041 18.087 ( 0.518 -4.434 -1.857) 4.835 18.234 ( -1.765 -0.511 0.308) 1.863 18.292 ( 1.481 -3.462 2.584) 4.567 18.413 ( 1.383 1.299 -0.568) 1.980 18.552 ( 0.533 -4.661 -1.592) 4.954 20.669 ( -0.196 0.255 0.188) 0.372 20.693 ( -0.459 -1.028 -0.157) 1.137 20.799 ( 0.587 -0.411 0.238) 0.755 20.838 ( 0.865 -2.096 0.117) 2.270 21.510 ( -0.427 0.632 1.082) 1.324 21.516 ( -0.289 0.436 1.090) 1.209 21.611 ( 0.347 1.504 -0.577) 1.648 21.665 ( 0.472 -0.969 -1.336) 1.716 27.234 ( -0.277 0.147 0.438) 0.539 27.246 ( -0.345 -0.310 0.391) 0.607 27.300 ( 0.292 0.511 -0.574) 0.822 27.317 ( 0.151 -0.104 -0.335) 0.382 27.646 ( -0.368 1.314 0.382) 1.417 27.670 ( -0.654 0.409 0.555) 0.950 27.704 ( 0.466 1.440 0.089) 1.516 27.741 ( 0.089 0.089 -0.033) 0.131 35.143 ( -2.486 0.646 -0.215) 2.578 35.168 ( 1.509 -0.083 0.265) 1.534 35.431 ( 0.677 3.444 0.788) 3.597 35.567 ( -0.585 -1.488 -0.240) 1.617 35.891 ( -0.634 1.503 3.720) 4.062 36.036 ( 0.688 -5.456 0.950) 5.581 36.384 ( 0.763 8.512 -0.782) 8.582 36.745 ( 2.418 -8.223 -5.062) 9.954 39.264 ( -3.171 1.902 2.657) 4.553 39.324 ( -1.946 -0.970 5.345) 5.770 39.572 ( 0.035 0.648 -1.363) 1.510 39.851 ( -0.945 -13.282 -4.428) 14.032 40.455 ( 2.225 7.005 3.436) 8.113 40.707 ( -2.676 -4.835 5.574) 7.849 40.982 ( 0.807 13.231 -4.190) 13.902 41.386 ( 2.269 -6.260 -5.398) 8.572 ======================= Grid point 61 (32/80) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -7.994 12.844 5.304) 16.031 2.201 ( 2.937 12.937 9.810) 16.499 2.407 ( 1.771 6.906 2.247) 7.475 2.688 ( 2.709 5.056 -0.035) 5.736 2.820 ( -1.028 -8.903 -2.644) 9.344 3.031 ( 0.632 1.288 1.682) 2.210 3.143 ( 3.392 9.467 -1.393) 10.153 3.195 ( 2.613 0.300 -5.117) 5.753 3.290 ( -2.534 -2.640 -1.506) 3.957 3.399 ( -2.755 9.887 -1.788) 10.418 3.530 ( -4.345 7.300 -1.191) 8.578 3.565 ( 1.253 0.043 -5.059) 5.212 3.683 ( 2.653 -0.401 -0.565) 2.742 3.782 ( -8.662 5.199 1.425) 10.203 3.867 ( -6.926 1.730 3.862) 8.116 3.980 ( -1.456 -4.803 2.636) 5.669 4.015 ( 0.950 5.236 -1.215) 5.459 4.094 ( 2.565 11.828 5.270) 13.201 4.175 ( -1.460 2.894 7.225) 7.919 4.240 ( -0.236 3.334 -2.330) 4.074 4.335 ( 2.200 -2.065 2.690) 4.042 4.423 ( -1.961 0.182 1.363) 2.395 4.501 ( 7.900 7.727 3.327) 11.541 4.504 ( 3.650 4.466 4.384) 7.244 4.569 ( 2.705 1.522 3.436) 4.630 4.657 ( -1.138 -0.672 -2.492) 2.821 4.746 ( 0.294 1.958 -1.140) 2.285 4.844 ( 3.110 -0.583 -1.649) 3.568 4.884 ( 0.083 -2.406 -3.547) 4.287 5.025 ( 3.202 3.850 4.200) 6.536 5.033 ( 3.735 -1.873 0.160) 4.181 5.150 ( 6.795 1.705 -2.633) 7.484 5.220 ( -1.073 2.314 4.785) 5.422 5.286 ( -5.893 -6.274 -6.433) 10.746 5.441 ( 0.511 1.049 -3.570) 3.756 5.456 ( 1.295 -1.908 -0.652) 2.396 5.513 ( 1.471 -3.041 2.660) 4.300 5.580 ( -0.679 -4.050 1.570) 4.396 5.692 ( -6.973 -2.946 -5.232) 9.201 5.758 ( -4.871 -0.401 -2.072) 5.309 5.787 ( -3.313 -1.937 -0.882) 3.938 5.863 ( -1.343 -1.282 -3.185) 3.687 5.929 ( 0.860 6.310 1.928) 6.654 6.027 ( 3.134 -0.164 -1.635) 3.538 6.063 ( 3.043 1.598 1.065) 3.598 6.180 ( -1.593 1.202 -4.096) 4.556 6.269 ( 1.749 -0.986 -1.974) 2.816 6.356 ( -4.120 3.070 1.694) 5.410 6.506 ( -1.425 2.334 -0.123) 2.737 6.519 ( 1.762 -1.337 -0.816) 2.357 6.618 ( -3.273 -2.216 4.594) 6.060 6.635 ( 5.382 0.141 -2.307) 5.857 6.707 ( -6.424 -3.885 -1.623) 7.680 6.775 ( -0.791 -0.022 -3.018) 3.120 6.820 ( 0.007 -3.923 1.361) 4.152 6.879 ( 0.748 1.334 -0.591) 1.640 6.916 ( 0.181 1.710 3.593) 3.984 6.960 ( -0.868 -1.338 2.849) 3.265 7.050 ( 2.582 0.682 2.740) 3.826 7.101 ( -0.236 1.689 -2.855) 3.325 7.165 ( 3.038 -7.159 -0.028) 7.777 7.202 ( -2.859 2.357 2.064) 4.242 7.239 ( 0.914 -1.298 2.406) 2.882 7.287 ( -0.075 -3.259 2.656) 4.205 7.440 ( -0.049 1.898 1.549) 2.451 7.474 ( -4.829 4.709 2.382) 7.153 7.516 ( 2.349 4.606 -1.282) 5.327 7.537 ( 3.616 2.384 -0.405) 4.350 7.604 ( -2.451 0.821 2.831) 3.834 7.697 ( -0.121 -0.513 -1.714) 1.793 7.784 ( 3.197 -4.683 1.647) 5.904 7.803 ( -0.521 -1.268 0.332) 1.410 7.874 ( -0.276 -3.116 1.523) 3.480 7.905 ( 5.650 -0.827 -1.551) 5.917 8.001 ( 3.061 3.182 -1.348) 4.617 8.047 ( 1.743 -2.043 1.023) 2.874 8.136 ( 2.906 -0.822 4.378) 5.319 8.205 ( 0.462 -4.853 0.424) 4.893 8.231 ( 2.666 1.256 -2.577) 3.915 8.287 ( 1.164 -3.491 -1.695) 4.052 8.338 ( 0.450 3.216 1.833) 3.729 8.475 ( -2.084 -1.238 -0.807) 2.555 8.615 ( 3.986 0.460 -0.177) 4.016 8.707 ( -0.432 -1.036 -8.894) 8.965 8.820 ( -1.657 4.477 0.502) 4.800 8.979 ( -1.362 -0.866 1.077) 1.940 9.056 ( -2.768 1.940 -1.275) 3.612 9.146 ( -4.096 -2.524 -3.216) 5.787 9.417 ( 0.017 3.098 0.857) 3.215 9.490 ( 5.921 1.503 -0.034) 6.109 9.584 ( -2.240 3.089 1.397) 4.063 9.647 ( 0.261 -0.736 -1.292) 1.509 10.185 ( -3.117 0.104 1.860) 3.631 10.251 ( -2.280 -3.289 1.889) 4.425 10.384 ( -0.811 6.589 -1.995) 6.932 10.583 ( 2.136 -3.546 -0.711) 4.200 11.044 ( -3.031 9.024 6.075) 11.292 11.435 ( -2.601 -7.434 2.576) 8.287 11.921 ( 1.350 4.480 -6.215) 7.779 12.136 ( 2.787 -5.792 -4.419) 7.800 12.339 ( -2.330 4.696 0.129) 5.244 12.598 ( -7.211 -8.510 3.400) 11.660 12.773 ( 1.856 8.610 -4.188) 9.752 13.150 ( 1.633 -8.303 -1.158) 8.541 15.276 ( 2.212 2.091 -0.423) 3.073 15.417 ( -0.551 -3.838 -4.133) 5.667 15.955 ( -1.022 2.747 0.182) 2.936 16.048 ( -0.619 0.026 -2.367) 2.447 16.843 ( -2.802 0.311 2.333) 3.660 16.864 ( -3.888 -0.969 4.603) 6.103 17.183 ( 2.071 2.554 -0.611) 3.345 17.244 ( 1.050 0.458 -2.114) 2.405 17.347 ( 0.230 0.569 0.666) 0.906 17.429 ( -0.117 -2.526 1.740) 3.070 17.448 ( -1.103 0.607 -1.085) 1.662 17.591 ( -0.059 -4.939 -0.572) 4.973 17.849 ( 1.111 -1.188 0.602) 1.734 17.879 ( 0.432 -2.622 0.378) 2.684 17.925 ( -0.016 2.317 0.249) 2.330 18.059 ( -1.427 -3.991 -1.559) 4.516 18.210 ( -1.690 1.701 1.079) 2.630 18.336 ( 0.649 -4.859 1.863) 5.244 18.438 ( 1.439 0.757 -0.836) 1.828 18.550 ( 1.014 -4.497 -1.263) 4.780 20.671 ( 0.079 0.065 0.278) 0.296 20.683 ( -0.354 -0.571 -0.104) 0.680 20.814 ( 0.563 -0.756 0.154) 0.955 20.849 ( 0.158 -2.433 -0.097) 2.440 21.512 ( -0.639 0.950 1.289) 1.724 21.524 ( -0.090 0.288 0.945) 0.992 21.611 ( 0.252 1.236 -0.599) 1.396 21.648 ( -0.642 -0.304 -1.316) 1.496 27.225 ( -0.852 0.639 0.448) 1.155 27.251 ( 0.216 -0.554 0.380) 0.706 27.297 ( 0.123 0.430 -0.561) 0.717 27.317 ( 0.153 -0.435 -0.323) 0.563 27.640 ( -0.543 1.203 0.403) 1.380 27.657 ( -1.052 0.653 0.526) 1.345 27.717 ( 0.473 1.146 0.205) 1.257 27.741 ( 0.051 0.262 -0.167) 0.315 35.104 ( 0.553 2.985 0.241) 3.046 35.258 ( 3.394 -4.411 0.811) 5.624 35.475 ( 4.848 3.709 -1.023) 6.189 35.602 ( 3.818 -1.190 -0.358) 4.015 35.907 ( -1.565 0.604 3.174) 3.590 36.025 ( -3.446 -5.007 1.939) 6.380 36.377 ( -0.658 8.455 -0.667) 8.506 36.737 ( 2.297 -7.687 -5.010) 9.459 39.240 ( -2.368 2.814 3.370) 4.988 39.337 ( -2.077 -1.602 4.886) 5.545 39.563 ( 0.517 -1.439 -0.510) 1.612 39.745 ( -3.876 -10.059 -4.655) 11.742 40.561 ( 2.832 4.710 3.256) 6.388 40.705 ( -2.297 -0.895 5.565) 6.086 40.955 ( 1.025 11.091 -4.705) 12.092 41.368 ( 1.776 -6.759 -5.377) 8.817 ======================= Grid point 62 (33/80) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -4.818 8.470 5.186) 11.039 2.367 ( -3.181 -0.742 -5.517) 6.412 2.377 ( 3.924 5.491 5.853) 8.933 2.691 ( -2.352 10.891 5.206) 12.298 2.880 ( 2.811 -7.507 1.828) 8.222 3.025 ( -3.216 5.740 -2.906) 7.192 3.140 ( 1.471 12.440 1.931) 12.675 3.187 ( 3.516 8.025 -6.836) 11.113 3.231 ( 0.081 1.678 -0.977) 1.943 3.355 ( -6.191 10.181 -0.048) 11.916 3.431 ( 1.571 1.953 -5.267) 5.833 3.589 ( 2.012 -1.749 1.185) 2.917 3.695 ( -0.543 0.545 0.307) 0.828 3.728 ( 4.164 -0.355 -2.153) 4.701 3.824 ( -2.215 7.081 6.257) 9.705 3.935 ( -4.387 0.767 1.057) 4.577 3.973 ( -4.234 3.454 1.330) 5.624 4.076 ( -4.625 -1.549 -1.359) 5.064 4.151 ( -2.458 8.629 -0.426) 8.982 4.304 ( 4.620 -1.305 -1.547) 5.044 4.362 ( 0.150 -3.646 2.513) 4.430 4.440 ( -2.957 -0.637 -0.684) 3.102 4.466 ( -3.085 -0.757 3.871) 5.008 4.608 ( -1.556 1.027 -2.732) 3.307 4.651 ( 2.035 0.198 1.663) 2.636 4.732 ( 2.910 4.415 -3.073) 6.116 4.811 ( 1.663 3.054 0.404) 3.501 4.857 ( 4.834 0.246 -1.383) 5.034 4.959 ( 8.273 1.076 -0.246) 8.347 5.005 ( -1.613 -1.398 -6.053) 6.418 5.071 ( 0.190 4.688 0.495) 4.718 5.154 ( 0.036 -1.461 3.830) 4.099 5.196 ( -0.576 -4.932 1.050) 5.075 5.360 ( -6.041 0.171 0.830) 6.100 5.387 ( -3.123 1.087 -1.834) 3.782 5.417 ( 6.640 3.953 2.651) 8.170 5.499 ( -0.352 1.773 -3.052) 3.547 5.602 ( -4.306 -2.392 0.686) 4.973 5.610 ( 3.078 -0.906 3.978) 5.110 5.684 ( -0.799 -2.585 1.509) 3.098 5.805 ( 3.126 0.710 1.814) 3.683 5.846 ( 2.123 4.470 -2.113) 5.381 5.994 ( 2.583 7.386 5.132) 9.358 6.050 ( -4.973 2.695 -2.021) 6.006 6.120 ( 3.764 -0.399 -0.654) 3.841 6.140 ( -1.204 1.621 1.204) 2.351 6.202 ( 1.854 -1.816 -0.406) 2.627 6.310 ( -1.377 -4.591 -3.513) 5.943 6.413 ( -3.869 5.892 -0.608) 7.075 6.541 ( -0.187 -4.021 -0.796) 4.104 6.593 ( -1.472 -4.040 -1.741) 4.639 6.622 ( -3.499 -4.398 -1.300) 5.769 6.707 ( 2.337 6.603 3.054) 7.641 6.741 ( 0.545 -2.176 -3.515) 4.169 6.811 ( 2.350 -5.399 -0.005) 5.888 6.907 ( -0.369 -1.149 0.218) 1.226 6.935 ( -3.842 -3.979 2.834) 6.215 7.004 ( 1.139 6.083 2.567) 6.699 7.048 ( -0.182 -4.389 2.503) 5.056 7.074 ( -1.725 1.417 1.625) 2.761 7.195 ( 0.373 1.521 0.790) 1.754 7.234 ( 0.436 0.054 1.612) 1.671 7.259 ( 0.661 -1.490 -3.050) 3.458 7.337 ( 0.563 -5.111 -0.023) 5.141 7.413 ( 0.176 3.861 3.202) 5.019 7.448 ( -2.269 2.823 0.675) 3.684 7.526 ( 5.130 2.908 -4.186) 7.232 7.576 ( -0.392 0.397 1.715) 1.803 7.626 ( 2.320 2.907 -2.137) 4.290 7.664 ( -0.946 2.998 -2.422) 3.968 7.783 ( -2.779 -0.979 2.205) 3.680 7.829 ( -4.670 -0.702 0.109) 4.724 7.876 ( 4.649 -6.781 -1.221) 8.311 7.949 ( -1.658 -2.335 -2.085) 3.542 8.004 ( -3.945 -4.536 0.611) 6.043 8.056 ( 6.777 -6.544 -4.728) 10.540 8.154 ( -0.923 -1.158 -4.021) 4.285 8.189 ( -2.379 -1.964 -2.000) 3.677 8.261 ( -1.436 -0.061 0.892) 1.691 8.343 ( 4.349 2.762 5.936) 7.860 8.433 ( 4.343 -0.560 3.682) 5.721 8.457 ( 0.307 -1.120 -1.893) 2.221 8.661 ( 4.299 1.590 -1.130) 4.721 8.739 ( 3.659 0.243 0.755) 3.744 8.771 ( -3.707 9.094 0.732) 9.848 8.920 ( -0.810 -0.608 -3.656) 3.794 9.033 ( 0.359 1.957 -0.787) 2.139 9.072 ( -2.046 0.193 1.907) 2.804 9.366 ( -2.227 3.682 -4.423) 6.171 9.497 ( -2.081 0.413 -4.821) 5.267 9.585 ( 3.162 0.855 -0.707) 3.350 9.668 ( -0.798 -1.912 3.701) 4.241 10.159 ( -1.707 1.241 4.659) 5.114 10.245 ( -1.181 -4.060 2.120) 4.730 10.364 ( 0.530 7.219 -1.477) 7.388 10.595 ( 0.444 -3.922 -2.402) 4.620 11.053 ( -2.993 8.102 7.094) 11.177 11.422 ( -1.629 -7.083 3.367) 8.010 11.880 ( 2.025 5.162 -7.296) 9.164 12.142 ( 2.658 -7.176 -4.848) 9.058 12.349 ( 0.762 2.491 4.956) 5.599 12.522 ( -5.027 -6.071 5.596) 9.667 12.767 ( 2.094 8.799 -4.496) 10.100 13.166 ( 0.945 -8.950 -0.835) 9.039 15.310 ( 2.251 -0.104 -1.503) 2.709 15.353 ( -1.020 -0.505 -4.125) 4.279 15.953 ( -0.179 2.615 1.837) 3.201 16.034 ( 0.757 0.995 -0.301) 1.286 16.820 ( -2.478 0.496 3.935) 4.676 16.849 ( -2.293 -1.518 4.183) 5.006 17.187 ( -0.175 3.548 -1.842) 4.002 17.253 ( 1.270 0.575 -1.080) 1.763 17.358 ( 1.502 -0.838 -0.952) 1.966 17.414 ( -1.747 -3.429 -0.771) 3.925 17.452 ( 0.529 0.779 1.549) 1.813 17.584 ( -0.697 -3.742 0.559) 3.847 17.879 ( 1.135 -1.484 0.577) 1.955 17.891 ( -0.273 -2.045 0.778) 2.205 17.940 ( 2.113 0.855 -0.609) 2.359 18.016 ( -1.587 -2.323 -0.628) 2.883 18.191 ( -1.160 2.445 0.892) 2.850 18.351 ( -0.674 -5.629 1.134) 5.782 18.445 ( 0.717 0.719 -1.789) 2.057 18.557 ( 0.776 -4.875 -1.641) 5.202 20.677 ( 0.178 -0.262 0.442) 0.544 20.678 ( -0.212 -0.155 0.211) 0.337 20.820 ( 0.272 -0.862 -0.572) 1.069 20.841 ( -0.404 -1.994 -0.887) 2.219 21.511 ( -0.747 1.141 1.131) 1.772 21.528 ( -0.352 0.192 0.700) 0.807 21.610 ( 0.388 0.880 -0.726) 1.205 21.626 ( -0.148 0.412 -1.036) 1.124 27.216 ( -0.499 1.058 0.554) 1.294 27.258 ( 0.040 -0.901 0.491) 1.026 27.295 ( 0.310 0.274 -0.617) 0.743 27.315 ( 0.038 -0.541 -0.236) 0.591 27.637 ( -0.268 0.972 0.557) 1.152 27.646 ( -0.715 0.645 0.795) 1.249 27.722 ( -0.036 1.151 -0.100) 1.156 27.740 ( 0.152 0.495 -0.322) 0.610 35.151 ( 2.724 3.050 1.033) 4.217 35.275 ( -2.226 -2.573 1.672) 3.791 35.588 ( 7.620 0.503 -3.226) 8.290 35.672 ( 3.538 -2.170 -1.046) 4.280 35.876 ( -3.941 0.191 0.016) 3.946 35.968 ( -4.835 -4.068 4.987) 8.050 36.354 ( -0.443 8.971 -1.414) 9.093 36.735 ( 2.582 -7.794 -5.010) 9.619 39.244 ( -1.592 3.082 4.834) 5.950 39.343 ( -2.094 -1.485 4.420) 5.111 39.579 ( 0.198 -3.882 -0.054) 3.887 39.658 ( -0.096 -8.039 -2.117) 8.314 40.592 ( -0.095 6.950 0.668) 6.983 40.716 ( -3.873 -1.983 4.005) 5.914 40.950 ( 3.221 9.538 -2.744) 10.434 41.355 ( 2.318 -7.133 -4.720) 8.861 ======================= Grid point 63 (34/80) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.926 15.676 4.704) 16.393 2.195 ( -6.869 11.350 -1.820) 13.391 2.488 ( -0.308 -3.803 0.477) 3.845 2.645 ( -4.292 15.091 2.999) 15.973 2.908 ( -3.422 -0.629 2.025) 4.026 2.952 ( 2.658 -7.390 -1.065) 7.925 3.157 ( -2.189 -3.326 -4.964) 6.363 3.196 ( 3.357 5.310 -6.318) 8.909 3.281 ( 0.615 2.190 2.888) 3.676 3.344 ( 10.255 12.332 1.766) 16.136 3.466 ( 2.350 7.945 1.741) 8.466 3.599 ( -0.131 -5.127 -0.118) 5.130 3.727 ( 1.939 3.950 0.608) 4.442 3.795 ( -0.472 0.836 -3.141) 3.284 3.815 ( -0.243 8.543 2.069) 8.793 3.883 ( -1.407 2.870 -0.844) 3.305 3.956 ( -3.688 0.255 -1.063) 3.846 4.005 ( 6.211 6.203 1.380) 8.886 4.118 ( -0.513 5.156 -0.094) 5.182 4.270 ( -5.917 4.169 0.151) 7.240 4.357 ( 1.294 -2.812 -1.330) 3.369 4.414 ( -4.099 1.500 -6.451) 7.789 4.428 ( -4.244 -2.854 0.932) 5.198 4.537 ( 1.665 -3.320 0.427) 3.739 4.650 ( -1.133 -0.211 -1.832) 2.165 4.663 ( -7.829 6.716 0.873) 10.352 4.769 ( 3.091 0.435 0.537) 3.168 4.877 ( -0.644 -2.197 -4.355) 4.920 4.913 ( -4.350 7.749 -1.736) 9.054 4.991 ( -4.001 -0.993 -0.453) 4.147 5.091 ( -2.168 0.252 1.727) 2.784 5.191 ( -3.617 0.277 -1.175) 3.813 5.309 ( 9.755 -3.562 4.707) 11.402 5.365 ( -0.946 1.212 6.090) 6.281 5.385 ( 2.704 1.024 0.079) 2.892 5.413 ( 1.133 -4.351 -0.816) 4.569 5.521 ( -0.087 -0.583 -0.364) 0.693 5.632 ( -1.182 -2.509 3.211) 4.243 5.673 ( 5.969 0.262 0.897) 6.042 5.714 ( -0.178 -0.433 1.132) 1.225 5.785 ( 0.211 -1.134 -2.497) 2.751 5.868 ( -0.528 -1.532 1.150) 1.987 5.976 ( 0.204 9.444 0.601) 9.465 6.110 ( 0.538 0.665 1.407) 1.646 6.171 ( 0.968 -2.352 0.887) 2.694 6.199 ( 6.384 5.196 5.670) 9.996 6.212 ( -2.692 -0.849 -1.105) 3.031 6.303 ( 6.236 -1.458 -2.920) 7.038 6.369 ( -1.259 2.104 -3.102) 3.954 6.517 ( -3.122 1.362 -1.381) 3.676 6.522 ( -0.487 -6.859 -1.811) 7.111 6.622 ( 3.347 0.887 2.195) 4.100 6.713 ( -1.754 -1.290 -2.002) 2.958 6.748 ( -0.026 2.233 0.945) 2.425 6.850 ( -2.293 -0.489 -0.719) 2.452 6.860 ( -3.048 2.101 1.180) 3.885 6.904 ( 4.529 -3.488 2.760) 6.348 7.020 ( -1.635 -0.019 -0.559) 1.728 7.095 ( 1.063 2.592 4.091) 4.958 7.141 ( 0.224 0.100 2.428) 2.440 7.159 ( -2.554 -0.881 -3.253) 4.228 7.216 ( -4.153 -3.012 -1.566) 5.364 7.228 ( 2.129 -3.721 1.747) 4.630 7.247 ( -4.282 -1.000 -1.514) 4.651 7.444 ( -1.166 2.886 2.107) 3.759 7.472 ( -3.887 3.378 0.029) 5.150 7.526 ( 4.116 4.669 -0.132) 6.225 7.599 ( -2.081 0.564 -0.066) 2.157 7.639 ( -1.487 0.851 1.027) 1.997 7.662 ( 4.288 -1.827 -1.523) 4.904 7.714 ( 1.183 0.809 -3.965) 4.216 7.766 ( -2.829 -1.103 0.964) 3.186 7.847 ( -3.934 -5.694 -3.976) 7.982 7.931 ( -0.896 -5.913 -0.639) 6.014 7.976 ( 1.833 -2.012 -0.476) 2.763 8.072 ( -3.858 -0.280 -4.254) 5.750 8.112 ( 0.251 0.660 -4.958) 5.008 8.158 ( 5.646 -3.806 -0.078) 6.810 8.242 ( -1.447 -0.318 -0.348) 1.522 8.315 ( -1.744 -3.813 -4.002) 5.796 8.493 ( -3.938 -0.008 4.458) 5.948 8.532 ( -0.860 -0.880 7.223) 7.327 8.671 ( -4.331 1.853 -2.189) 5.195 8.755 ( 2.323 10.531 0.514) 10.796 8.776 ( 3.188 -0.976 -0.674) 3.401 8.945 ( 3.415 3.272 1.034) 4.841 9.041 ( 0.858 3.630 0.612) 3.780 9.129 ( 6.058 -2.847 1.288) 6.816 9.295 ( 0.010 1.686 -4.162) 4.491 9.417 ( -0.776 -3.370 -6.349) 7.230 9.611 ( -0.839 4.934 0.307) 5.014 9.678 ( 0.102 -0.473 0.741) 0.886 10.181 ( -1.369 -0.289 2.807) 3.136 10.272 ( 1.106 -4.351 4.743) 6.531 10.379 ( 2.337 6.827 -0.321) 7.223 10.558 ( -0.962 -3.178 -3.309) 4.688 11.061 ( -3.408 8.583 6.381) 11.225 11.441 ( -0.578 -7.298 4.135) 8.408 11.872 ( 3.710 5.275 -5.048) 8.190 12.136 ( 2.108 -6.504 -5.253) 8.622 12.444 ( 4.064 -1.027 0.926) 4.292 12.521 ( -2.275 -3.602 9.859) 10.740 12.768 ( 2.267 8.617 -3.316) 9.507 13.166 ( 0.136 -9.226 -1.183) 9.303 15.285 ( -1.249 1.182 -2.740) 3.235 15.360 ( 4.314 -1.182 -3.440) 5.642 15.977 ( 0.118 2.484 2.404) 3.458 16.066 ( 1.891 0.537 0.746) 2.102 16.831 ( -1.264 0.260 5.120) 5.280 16.861 ( -0.947 -1.183 4.305) 4.564 17.159 ( -0.032 3.957 -2.891) 4.901 17.264 ( 1.025 0.547 -0.838) 1.432 17.357 ( -2.336 -2.295 -2.086) 3.882 17.378 ( 1.036 -2.635 -0.737) 2.926 17.484 ( 0.675 0.249 2.599) 2.697 17.583 ( 0.222 -2.899 0.347) 2.929 17.872 ( -1.693 -1.432 0.227) 2.229 17.902 ( -0.218 -1.959 1.227) 2.322 17.959 ( -1.018 0.156 0.042) 1.031 18.018 ( 3.202 -1.689 -0.591) 3.668 18.192 ( 0.276 1.461 1.269) 1.955 18.332 ( -1.858 -5.270 -0.174) 5.591 18.432 ( -0.033 0.650 -2.027) 2.129 18.547 ( 0.449 -4.434 -1.818) 4.813 20.677 ( -0.333 0.059 0.446) 0.560 20.687 ( 0.271 -0.618 0.683) 0.960 20.814 ( -0.326 -0.884 -0.827) 1.253 20.821 ( 0.122 -1.160 -1.669) 2.036 21.507 ( -0.656 1.041 0.949) 1.554 21.524 ( -0.679 0.182 0.569) 0.905 21.608 ( 0.303 1.075 -0.786) 1.366 21.630 ( 1.427 0.237 -0.850) 1.678 27.218 ( 0.006 0.957 0.633) 1.147 27.260 ( -0.412 -1.034 0.576) 1.253 27.296 ( 0.422 0.325 -0.682) 0.865 27.316 ( 0.212 -0.351 -0.191) 0.453 27.640 ( -0.051 0.916 0.588) 1.090 27.648 ( 0.032 0.522 1.066) 1.188 27.715 ( -0.309 1.383 -0.449) 1.487 27.740 ( 0.138 0.406 -0.287) 0.517 35.168 ( -3.257 2.491 1.844) 4.496 35.266 ( 0.724 -1.747 1.165) 2.222 35.611 ( -3.928 -0.812 -3.588) 5.382 35.681 ( -1.208 -2.436 -1.477) 3.095 35.831 ( 0.705 2.014 1.302) 2.500 35.952 ( -1.582 -4.624 3.865) 6.231 36.344 ( 1.464 9.274 -2.026) 9.605 36.735 ( 2.888 -8.278 -5.225) 10.206 39.269 ( -1.524 2.426 5.800) 6.469 39.341 ( -3.055 -1.131 4.387) 5.464 39.561 ( 0.112 -1.786 -0.859) 1.985 39.714 ( 5.442 -9.057 -0.140) 10.568 40.586 ( -3.560 3.395 0.258) 4.926 40.649 ( -2.235 1.538 1.279) 3.000 40.997 ( 2.177 7.721 -0.440) 8.034 41.363 ( 3.303 -6.679 -4.517) 8.713 ======================= Grid point 64 (35/80) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -1.583 27.617 7.406) 28.636 2.120 ( -3.212 18.798 4.569) 19.610 2.386 ( -6.017 4.177 2.287) 7.673 2.612 ( -2.430 3.662 -1.257) 4.571 2.939 ( 3.302 1.094 -4.042) 5.333 2.978 ( 1.536 -8.872 2.424) 9.324 3.124 ( 2.017 -2.630 -4.186) 5.339 3.179 ( 0.888 -1.801 -1.684) 2.621 3.308 ( 1.276 -3.490 -1.159) 3.893 3.422 ( 0.260 2.561 0.239) 2.585 3.590 ( 2.114 -4.406 -5.452) 7.321 3.654 ( -2.223 2.081 -4.712) 5.610 3.691 ( 9.249 3.275 6.225) 11.619 3.766 ( 0.056 8.387 0.974) 8.443 3.837 ( -0.987 11.381 3.062) 11.827 3.881 ( -0.349 10.049 0.445) 10.065 3.961 ( 5.399 4.778 1.225) 7.313 4.069 ( -1.967 8.205 -0.652) 8.463 4.137 ( -1.958 6.860 0.028) 7.134 4.226 ( 3.140 0.538 -1.611) 3.570 4.270 ( -4.310 3.137 -0.436) 5.349 4.299 ( -3.159 -1.867 -1.015) 3.808 4.395 ( 1.788 -1.569 0.613) 2.456 4.556 ( -5.483 3.108 5.616) 8.442 4.630 ( -0.787 1.513 6.646) 6.861 4.671 ( -1.292 -3.164 -0.064) 3.419 4.735 ( 2.766 2.201 -3.048) 4.667 4.836 ( -2.270 0.367 0.301) 2.319 4.878 ( -4.114 7.289 0.627) 8.394 4.894 ( 0.273 -0.082 -3.587) 3.598 5.038 ( -3.815 1.611 0.763) 4.211 5.096 ( -0.990 -2.862 -3.611) 4.713 5.314 ( -5.395 -8.694 -1.877) 10.403 5.388 ( -0.116 -1.472 -0.390) 1.527 5.436 ( 0.013 -0.746 0.857) 1.136 5.504 ( -0.854 5.571 -0.685) 5.678 5.547 ( 6.198 -3.645 6.140) 9.455 5.640 ( -1.185 -3.199 1.202) 3.617 5.750 ( 0.249 -4.551 1.396) 4.766 5.782 ( 6.287 -1.617 -1.674) 6.704 5.830 ( 5.911 -5.163 0.367) 7.857 5.888 ( 2.533 -6.139 0.849) 6.695 5.990 ( 0.892 7.179 -1.142) 7.324 6.049 ( -4.829 -1.454 -2.662) 5.703 6.140 ( -3.333 0.317 0.196) 3.353 6.177 ( -3.066 3.115 -4.497) 6.271 6.257 ( -2.552 5.063 -1.977) 6.004 6.365 ( 4.809 0.471 0.676) 4.879 6.446 ( 6.892 -1.972 0.553) 7.190 6.505 ( 2.712 -2.440 2.485) 4.414 6.522 ( 2.161 -2.608 0.172) 3.391 6.629 ( -2.833 1.376 -0.964) 3.294 6.662 ( -1.072 -0.703 -2.061) 2.427 6.762 ( -0.337 0.685 -0.027) 0.764 6.810 ( 0.562 -0.249 -1.825) 1.926 6.913 ( 3.379 4.104 1.692) 5.579 6.961 ( -2.840 -0.185 3.910) 4.836 7.003 ( -3.134 0.675 0.383) 3.229 7.042 ( 0.920 1.645 -1.667) 2.516 7.069 ( -4.271 -2.125 2.633) 5.449 7.132 ( -1.278 -3.881 -3.528) 5.398 7.179 ( -0.980 -0.784 4.120) 4.307 7.192 ( -1.452 -0.182 1.631) 2.191 7.327 ( 2.747 -3.575 2.431) 5.123 7.379 ( -1.141 5.606 -0.966) 5.802 7.478 ( 0.709 5.820 -0.344) 5.873 7.514 ( -4.288 -0.979 2.429) 5.024 7.605 ( -2.579 1.912 1.666) 3.617 7.611 ( -0.104 -1.648 0.897) 1.880 7.662 ( -2.965 -1.811 3.076) 4.640 7.743 ( 0.758 -2.750 -1.780) 3.362 7.772 ( 2.557 4.583 -0.886) 5.322 7.807 ( 4.503 -2.573 -2.149) 5.613 7.902 ( -0.152 -3.952 -1.599) 4.266 7.914 ( -2.847 -2.883 -3.884) 5.613 7.960 ( -2.582 2.782 -0.639) 3.850 8.132 ( -2.932 1.150 1.003) 3.305 8.160 ( -1.219 5.092 -1.708) 5.507 8.237 ( 2.610 -5.675 -1.588) 6.445 8.279 ( -1.596 -3.182 -1.073) 3.718 8.431 ( -5.175 0.805 2.982) 6.027 8.569 ( -0.203 -2.413 2.675) 3.609 8.612 ( 0.866 1.101 -0.171) 1.411 8.766 ( 1.698 -3.240 -3.642) 5.162 8.811 ( 3.850 4.670 -4.751) 7.695 8.991 ( -1.798 -1.821 2.528) 3.598 9.141 ( 6.350 6.922 2.066) 9.617 9.234 ( 1.905 -1.380 -0.176) 2.359 9.262 ( -0.199 -2.094 -1.357) 2.503 9.353 ( 0.316 -1.333 -2.930) 3.235 9.580 ( -0.047 6.274 -2.424) 6.726 9.687 ( -0.219 1.493 0.626) 1.634 10.177 ( -0.877 0.043 1.754) 1.961 10.320 ( -0.514 -3.549 2.218) 4.217 10.457 ( 3.920 1.869 2.250) 4.891 10.502 ( -1.289 -0.817 -3.495) 3.813 11.053 ( -3.380 9.918 5.304) 11.744 11.464 ( -1.420 -7.879 3.608) 8.781 11.909 ( 3.787 4.858 -2.963) 6.835 12.126 ( 2.107 -5.146 -4.495) 7.151 12.465 ( 0.410 1.312 -2.902) 3.211 12.627 ( 2.548 -5.380 5.348) 8.003 12.786 ( 1.353 6.839 -0.469) 6.987 13.151 ( -0.134 -8.753 -1.730) 8.923 15.243 ( -0.231 3.242 -2.265) 3.962 15.410 ( 4.279 -3.687 -3.471) 6.630 15.993 ( -0.515 2.609 1.108) 2.881 16.099 ( 1.096 -0.895 -0.722) 1.588 16.860 ( -1.174 0.218 4.443) 4.601 16.890 ( -1.125 -0.892 4.705) 4.919 17.135 ( 0.776 3.970 -2.759) 4.896 17.274 ( 0.714 -0.878 -1.926) 2.234 17.306 ( -0.638 0.252 -0.365) 0.777 17.385 ( 0.586 -3.048 -0.176) 3.109 17.522 ( 0.148 -0.152 2.270) 2.279 17.588 ( 0.175 -3.606 -0.492) 3.644 17.841 ( -1.378 -1.129 0.118) 1.785 17.894 ( -1.656 -3.342 1.124) 3.895 17.938 ( -1.239 2.986 0.769) 3.323 18.072 ( 2.705 -3.513 -1.311) 4.623 18.228 ( 1.584 -0.751 2.168) 2.788 18.284 ( -2.322 -3.644 -0.679) 4.374 18.411 ( -0.001 1.184 -1.467) 1.886 18.549 ( 1.220 -4.542 -1.287) 4.876 20.673 ( -0.439 0.205 0.321) 0.581 20.697 ( -0.004 -1.115 0.498) 1.221 20.796 ( -0.159 -0.357 -0.736) 0.834 20.822 ( 0.941 -1.281 -0.716) 1.743 21.507 ( -0.376 0.741 0.946) 1.259 21.517 ( -0.717 0.316 0.776) 1.102 21.609 ( 0.488 1.427 -0.638) 1.638 21.654 ( 1.780 -0.556 -1.030) 2.131 27.227 ( 0.250 0.503 0.564) 0.797 27.254 ( -0.737 -0.747 0.496) 1.161 27.298 ( 0.495 0.519 -0.694) 0.998 27.317 ( 0.132 -0.151 -0.223) 0.300 27.645 ( -0.064 1.150 0.522) 1.265 27.664 ( 0.299 0.278 1.024) 1.102 27.704 ( -0.216 1.609 -0.437) 1.681 27.740 ( 0.073 0.194 -0.146) 0.254 35.125 ( -1.482 2.331 1.091) 2.970 35.264 ( -3.981 -4.457 0.916) 6.046 35.458 ( -4.734 4.784 -2.323) 7.120 35.621 ( -4.096 -1.372 0.240) 4.326 35.865 ( -0.036 1.287 2.861) 3.137 35.991 ( 2.596 -5.417 0.873) 6.071 36.365 ( 2.203 8.954 -1.455) 9.335 36.742 ( 3.114 -8.506 -5.037) 10.364 39.291 ( -2.364 1.379 4.718) 5.454 39.316 ( -3.190 -0.403 4.140) 5.242 39.572 ( 1.024 0.402 -0.526) 1.219 39.825 ( 5.923 -11.690 -1.282) 13.168 40.473 ( -5.165 5.237 -0.476) 7.371 40.679 ( -0.013 -2.959 4.688) 5.544 41.006 ( 0.356 10.770 -2.267) 11.012 41.383 ( 3.359 -6.192 -4.810) 8.530 ======================= Grid point 65 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.336 ( -4.427 -5.252 1.879) 7.121 2.336 ( -4.427 5.252 1.879) 7.121 2.559 ( -1.542 -18.552 4.977) 19.270 2.559 ( -1.542 18.552 4.977) 19.270 2.839 ( 3.025 -18.116 1.093) 18.400 2.839 ( 3.025 18.116 1.093) 18.400 3.200 ( -1.969 -3.883 1.109) 4.492 3.200 ( -1.969 3.883 1.109) 4.492 3.279 ( 5.262 -10.668 -3.822) 12.494 3.279 ( 5.262 10.668 -3.822) 12.494 3.593 ( 2.634 -2.350 -2.555) 4.358 3.593 ( 2.634 2.350 -2.555) 4.358 3.848 ( -0.930 -2.303 4.398) 5.051 3.848 ( -0.930 2.303 4.398) 5.051 3.966 ( -4.522 -1.289 -2.623) 5.384 3.966 ( -4.522 1.289 -2.623) 5.384 4.101 ( 1.084 -1.234 -2.496) 2.989 4.101 ( 1.084 1.234 -2.496) 2.989 4.180 ( 4.690 -6.091 1.956) 7.932 4.180 ( 4.690 6.091 1.956) 7.932 4.374 ( -1.543 -5.110 2.780) 6.018 4.374 ( -1.543 5.110 2.780) 6.018 4.537 ( -0.224 -4.880 3.814) 6.197 4.537 ( -0.224 4.880 3.814) 6.197 4.663 ( -1.086 -1.933 7.223) 7.556 4.663 ( -1.086 1.933 7.223) 7.556 4.779 ( -0.651 -1.586 -3.946) 4.302 4.779 ( -0.651 1.586 -3.946) 4.302 4.935 ( 1.539 -2.349 -2.589) 3.819 4.935 ( 1.539 2.349 -2.589) 3.819 5.099 ( 4.398 -3.008 -3.202) 6.217 5.099 ( 4.398 3.008 -3.202) 6.217 5.185 ( -4.614 -19.906 1.201) 20.469 5.185 ( -4.614 19.906 1.201) 20.469 5.396 ( 0.127 -0.873 2.515) 2.665 5.396 ( 0.127 0.873 2.515) 2.665 5.599 ( -5.096 -6.471 -1.349) 8.346 5.599 ( -5.096 6.471 -1.349) 8.346 5.687 ( 2.271 -3.188 0.719) 3.980 5.687 ( 2.271 3.188 0.719) 3.980 5.876 ( -3.082 -0.616 -1.407) 3.444 5.876 ( -3.082 0.616 -1.407) 3.444 6.008 ( 2.420 -0.785 -2.146) 3.328 6.008 ( 2.420 0.785 -2.146) 3.328 6.201 ( 0.975 -6.982 -7.870) 10.566 6.201 ( 0.975 6.982 -7.870) 10.566 6.265 ( -0.127 -10.556 1.801) 10.709 6.265 ( -0.127 10.556 1.801) 10.709 6.521 ( -1.017 -1.862 2.827) 3.535 6.521 ( -1.017 1.862 2.827) 3.535 6.607 ( 4.009 -4.326 0.522) 5.921 6.607 ( 4.009 4.326 0.522) 5.921 6.704 ( 3.846 -1.969 -3.375) 5.482 6.704 ( 3.846 1.969 -3.375) 5.482 6.900 ( 0.504 -6.419 1.677) 6.653 6.900 ( 0.504 6.419 1.677) 6.653 6.943 ( -3.271 -3.158 -0.259) 4.554 6.943 ( -3.271 3.158 -0.259) 4.554 6.997 ( -2.865 -3.989 5.447) 7.334 6.997 ( -2.865 3.989 5.447) 7.334 7.150 ( -0.973 -1.678 0.437) 1.988 7.150 ( -0.973 1.678 0.437) 1.988 7.294 ( -1.384 -3.320 1.008) 3.736 7.294 ( -1.384 3.320 1.008) 3.736 7.457 ( 2.421 -2.562 0.311) 3.539 7.457 ( 2.421 2.562 0.311) 3.539 7.538 ( -2.032 -2.276 5.254) 6.076 7.538 ( -2.032 2.276 5.254) 6.076 7.664 ( 0.591 -4.997 -2.530) 5.632 7.664 ( 0.591 4.997 -2.530) 5.632 7.734 ( -1.096 -5.414 -0.667) 5.564 7.734 ( -1.096 5.414 -0.667) 5.564 7.888 ( 1.759 -0.591 0.773) 2.011 7.888 ( 1.759 0.591 0.773) 2.011 7.962 ( 3.964 -4.164 -0.181) 5.752 7.962 ( 3.964 4.164 -0.181) 5.752 8.087 ( -1.143 -4.746 2.171) 5.342 8.087 ( -1.143 4.746 2.171) 5.343 8.240 ( -0.319 -1.453 -2.690) 3.074 8.240 ( -0.319 1.453 -2.690) 3.074 8.477 ( -2.625 -5.557 0.809) 6.199 8.477 ( -2.625 5.557 0.809) 6.199 8.646 ( 1.821 -5.374 -2.806) 6.330 8.646 ( 1.821 5.374 -2.806) 6.330 8.912 ( 0.856 -3.889 -1.919) 4.420 8.912 ( 0.856 3.889 -1.919) 4.420 9.195 ( -2.850 -2.886 -2.764) 4.908 9.195 ( -2.850 2.886 -2.764) 4.908 9.368 ( 3.901 -1.842 4.393) 6.157 9.368 ( 3.901 1.843 4.393) 6.157 9.674 ( 0.300 -2.430 -2.240) 3.318 9.674 ( 0.300 2.430 -2.240) 3.318 10.221 ( -1.708 -3.661 1.884) 4.458 10.221 ( -1.708 3.661 1.884) 4.458 10.495 ( 0.615 -2.530 -0.910) 2.759 10.495 ( 0.615 2.530 -0.910) 2.759 11.263 ( -2.547 -10.888 3.552) 11.733 11.263 ( -2.547 10.888 3.552) 11.733 12.029 ( 2.195 -4.822 -3.865) 6.558 12.029 ( 2.195 4.822 -3.865) 6.558 12.521 ( -2.555 -6.578 -0.261) 7.062 12.521 ( -2.555 6.578 -0.261) 7.062 12.958 ( 1.548 -9.226 -2.922) 9.800 12.958 ( 1.548 9.226 -2.922) 9.800 15.333 ( 1.001 -5.257 -0.905) 5.427 15.333 ( 1.001 5.257 -0.905) 5.427 16.041 ( -0.432 -3.037 -1.679) 3.497 16.041 ( -0.432 3.037 -1.679) 3.497 16.878 ( -2.728 -0.844 3.661) 4.643 16.878 ( -2.728 0.844 3.661) 4.643 17.219 ( 1.835 -3.139 -2.769) 4.570 17.219 ( 1.835 3.139 -2.769) 4.570 17.351 ( 0.613 -2.074 1.706) 2.755 17.351 ( 0.613 2.074 1.706) 2.755 17.520 ( -1.035 -1.859 -0.652) 2.225 17.520 ( -1.035 1.859 -0.652) 2.225 17.832 ( -0.417 -1.153 0.917) 1.531 17.832 ( -0.417 1.153 0.917) 1.531 17.999 ( -0.306 -4.094 -0.563) 4.144 17.999 ( -0.306 4.095 -0.563) 4.144 18.244 ( -0.055 -1.443 1.667) 2.205 18.244 ( -0.055 1.443 1.667) 2.205 18.467 ( 0.996 -3.688 -1.199) 4.003 18.467 ( 0.996 3.688 -1.199) 4.003 20.677 ( -0.205 -0.557 0.020) 0.594 20.677 ( -0.205 0.557 0.020) 0.594 20.805 ( 0.545 -1.023 -0.091) 1.163 20.805 ( 0.545 1.023 -0.091) 1.163 21.519 ( -0.344 -0.177 1.120) 1.185 21.519 ( -0.344 0.177 1.120) 1.185 21.641 ( 0.378 -1.394 -0.860) 1.681 21.641 ( 0.378 1.394 -0.860) 1.681 27.239 ( -0.263 -0.325 0.431) 0.601 27.239 ( -0.263 0.325 0.431) 0.601 27.310 ( 0.174 -0.483 -0.479) 0.702 27.310 ( 0.174 0.483 -0.479) 0.702 27.667 ( -0.457 -0.665 0.600) 1.005 27.667 ( -0.457 0.665 0.600) 1.005 27.731 ( 0.240 -1.023 -0.135) 1.059 27.731 ( 0.240 1.023 -0.135) 1.059 35.157 ( -0.631 -0.754 0.486) 1.097 35.157 ( -0.631 0.754 0.486) 1.097 35.512 ( 0.280 -3.871 -0.616) 3.930 35.512 ( 0.280 3.871 -0.616) 3.930 35.941 ( -0.243 -3.620 2.821) 4.595 35.941 ( -0.243 3.620 2.821) 4.595 36.567 ( 1.683 -9.218 -2.982) 9.833 36.567 ( 1.683 9.218 -2.982) 9.833 39.300 ( -2.181 -1.537 3.304) 4.247 39.300 ( -2.181 1.537 3.304) 4.247 39.645 ( -0.523 -6.885 -2.239) 7.259 39.645 ( -0.523 6.885 -2.239) 7.259 40.592 ( -0.290 -6.440 4.736) 7.999 40.592 ( -0.290 6.440 4.736) 7.999 41.219 ( 1.597 -10.149 -5.109) 11.475 41.219 ( 1.597 10.149 -5.109) 11.475 ======================= Grid point 67 (37/80) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.228 ( -6.978 -7.724 0.666) 10.431 2.228 ( -6.978 7.724 0.666) 10.431 2.587 ( 0.625 -11.237 2.519) 11.533 2.587 ( 0.625 11.237 2.519) 11.533 2.932 ( 3.745 -13.733 3.144) 14.577 2.932 ( 3.745 13.733 3.144) 14.578 3.178 ( -1.100 -2.019 2.833) 3.648 3.178 ( -1.100 2.019 2.833) 3.648 3.371 ( 5.308 -8.815 -2.362) 10.557 3.371 ( 5.308 8.815 -2.362) 10.558 3.628 ( 3.909 -3.640 -5.434) 7.620 3.628 ( 3.909 3.640 -5.434) 7.620 3.738 ( -8.750 -9.112 -3.960) 13.239 3.738 ( -8.750 9.112 -3.960) 13.239 3.894 ( -4.275 -0.887 7.711) 8.861 3.894 ( -4.275 0.887 7.711) 8.861 4.146 ( 2.025 -5.871 -4.328) 7.570 4.146 ( 2.025 5.871 -4.328) 7.570 4.251 ( -1.602 -3.139 3.502) 4.968 4.251 ( -1.602 3.139 3.502) 4.968 4.349 ( 1.476 -5.227 3.337) 6.375 4.349 ( 1.476 5.227 3.337) 6.375 4.575 ( -3.876 -1.181 1.570) 4.346 4.575 ( -3.876 1.181 1.570) 4.346 4.667 ( 3.548 -6.854 2.380) 8.077 4.667 ( 3.548 6.854 2.380) 8.077 4.797 ( 1.935 -4.983 -2.396) 5.858 4.797 ( 1.935 4.983 -2.396) 5.858 4.985 ( 3.725 -8.405 -1.943) 9.397 4.985 ( 3.725 8.405 -1.943) 9.397 5.073 ( -3.433 -6.133 1.460) 7.178 5.073 ( -3.433 6.133 1.460) 7.178 5.239 ( 7.087 -5.075 2.413) 9.045 5.239 ( 7.087 5.075 2.413) 9.045 5.416 ( -0.278 -1.094 1.009) 1.514 5.416 ( -0.278 1.094 1.009) 1.514 5.494 ( -3.655 -3.065 -0.164) 4.773 5.494 ( -3.655 3.065 -0.164) 4.773 5.737 ( -1.076 -5.356 -4.418) 7.026 5.737 ( -1.076 5.356 -4.418) 7.026 5.770 ( -0.114 -0.524 0.410) 0.675 5.770 ( -0.114 0.524 0.410) 0.675 6.016 ( 3.608 -2.457 -1.480) 4.610 6.016 ( 3.608 2.457 -1.480) 4.610 6.197 ( 0.092 -4.530 -1.940) 4.929 6.197 ( 0.092 4.530 -1.940) 4.929 6.278 ( -0.921 -8.575 0.124) 8.625 6.278 ( -0.921 8.575 0.124) 8.625 6.534 ( -2.079 -4.013 0.458) 4.543 6.534 ( -2.079 4.013 0.458) 4.543 6.594 ( 0.125 -4.902 -2.605) 5.553 6.594 ( 0.125 4.902 -2.605) 5.553 6.716 ( -0.644 -2.426 -2.003) 3.211 6.716 ( -0.644 2.426 -2.003) 3.211 6.880 ( -0.622 -5.322 -1.737) 5.632 6.880 ( -0.622 5.322 -1.737) 5.632 6.913 ( -3.970 -1.614 5.898) 7.291 6.913 ( -3.970 1.614 5.898) 7.291 7.085 ( 6.300 -1.878 1.437) 6.730 7.085 ( 6.300 1.878 1.437) 6.730 7.149 ( 1.090 -4.393 1.037) 4.644 7.149 ( 1.090 4.393 1.037) 4.644 7.245 ( -2.871 -1.990 1.201) 3.694 7.245 ( -2.871 1.990 1.201) 3.694 7.479 ( -4.322 -1.321 3.557) 5.751 7.479 ( -4.322 1.321 3.557) 5.751 7.598 ( 0.525 -2.335 -1.110) 2.638 7.598 ( 0.525 2.335 -1.110) 2.638 7.658 ( 4.455 -5.096 -0.141) 6.770 7.658 ( 4.455 5.096 -0.141) 6.770 7.723 ( 1.794 -5.807 1.157) 6.188 7.723 ( 1.794 5.807 1.157) 6.188 7.889 ( -1.258 -2.714 0.736) 3.081 7.889 ( -1.258 2.714 0.736) 3.081 8.018 ( 0.939 -0.854 -3.499) 3.722 8.018 ( 0.939 0.854 -3.499) 3.722 8.131 ( 0.612 -0.840 3.890) 4.026 8.131 ( 0.612 0.840 3.890) 4.026 8.265 ( 6.019 -1.112 -2.169) 6.494 8.265 ( 6.019 1.112 -2.169) 6.494 8.417 ( -3.022 -4.020 0.802) 5.093 8.417 ( -3.022 4.020 0.802) 5.093 8.654 ( 2.461 -3.045 -3.590) 5.312 8.654 ( 2.461 3.045 -3.590) 5.312 8.920 ( -0.013 -4.536 1.152) 4.680 8.920 ( -0.013 4.536 1.152) 4.680 9.101 ( -2.857 -2.291 -3.362) 4.971 9.101 ( -2.857 2.291 -3.362) 4.971 9.479 ( 2.381 -2.422 3.604) 4.952 9.479 ( 2.381 2.422 3.604) 4.952 9.631 ( -1.665 -1.238 -3.330) 3.924 9.631 ( -1.665 1.238 -3.330) 3.924 10.198 ( -2.591 -1.588 2.440) 3.897 10.198 ( -2.591 1.588 2.440) 3.897 10.498 ( 0.824 -4.906 -1.226) 5.124 10.498 ( 0.824 4.906 -1.226) 5.124 11.247 ( -2.965 -10.443 4.144) 11.620 11.247 ( -2.965 10.443 4.144) 11.620 12.022 ( 1.985 -5.393 -5.550) 7.989 12.022 ( 1.985 5.393 -5.550) 7.989 12.448 ( -4.443 -6.329 1.466) 7.871 12.448 ( -4.443 6.329 1.466) 7.871 12.961 ( 1.836 -9.823 -2.970) 10.425 12.961 ( 1.836 9.823 -2.970) 10.425 15.337 ( 0.309 -3.816 -1.009) 3.959 15.337 ( 0.309 3.816 -1.009) 3.959 16.015 ( -0.275 -2.813 -1.419) 3.163 16.015 ( -0.275 2.813 -1.419) 3.163 16.851 ( -3.435 -0.470 3.430) 4.877 16.851 ( -3.435 0.470 3.430) 4.877 17.234 ( 2.198 -1.787 -2.232) 3.607 17.234 ( 2.198 1.787 -2.232) 3.607 17.370 ( -0.770 -2.320 1.671) 2.961 17.370 ( -0.770 2.320 1.671) 2.961 17.496 ( -0.192 -3.942 -0.783) 4.023 17.496 ( -0.192 3.942 -0.783) 4.023 17.844 ( 0.657 -0.819 0.699) 1.262 17.844 ( 0.657 0.819 0.699) 1.262 17.985 ( -0.459 -3.360 -0.626) 3.449 17.985 ( -0.459 3.360 -0.626) 3.449 18.257 ( -0.527 -3.038 1.644) 3.494 18.257 ( -0.527 3.038 1.644) 3.494 18.476 ( 1.107 -2.847 -1.168) 3.270 18.476 ( 1.107 2.847 -1.168) 3.270 20.675 ( -0.049 -0.301 0.046) 0.308 20.675 ( -0.049 0.301 0.046) 0.308 20.814 ( 0.388 -0.890 -0.153) 0.983 20.814 ( 0.388 0.890 -0.153) 0.983 21.524 ( -0.336 -0.281 1.155) 1.235 21.524 ( -0.336 0.281 1.155) 1.235 21.634 ( -0.093 -0.999 -0.903) 1.350 21.634 ( -0.093 0.999 -0.903) 1.350 27.238 ( -0.282 -0.673 0.466) 0.866 27.238 ( -0.282 0.673 0.466) 0.866 27.307 ( 0.052 -0.516 -0.504) 0.723 27.307 ( 0.052 0.516 -0.504) 0.723 27.659 ( -0.895 -0.483 0.601) 1.181 27.659 ( -0.895 0.483 0.601) 1.181 27.736 ( 0.371 -0.712 -0.137) 0.815 27.736 ( 0.371 0.712 -0.137) 0.815 35.174 ( 1.682 -3.867 0.641) 4.265 35.174 ( 1.682 3.867 0.641) 4.265 35.553 ( 4.235 -3.550 -1.120) 5.638 35.553 ( 4.235 3.550 -1.120) 5.638 35.942 ( -2.837 -2.937 3.094) 5.123 35.942 ( -2.837 2.937 3.094) 5.123 36.561 ( 1.028 -9.356 -3.019) 9.884 36.561 ( 1.028 9.356 -3.019) 9.884 39.296 ( -1.862 -2.543 3.668) 4.836 39.296 ( -1.862 2.543 3.668) 4.836 39.593 ( -1.766 -4.588 -2.330) 5.441 39.593 ( -1.766 4.588 -2.330) 5.441 40.648 ( 0.223 -3.894 5.053) 6.383 40.648 ( 0.223 3.894 5.053) 6.383 41.188 ( 1.175 -10.776 -5.603) 12.202 41.188 ( 1.175 10.776 -5.603) 12.202 ======================= Grid point 69 (38/80) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.144 ( -2.586 -12.791 3.048) 13.401 2.144 ( -2.586 12.791 3.048) 13.401 2.615 ( 0.399 -11.875 0.225) 11.884 2.615 ( 0.399 11.875 0.225) 11.884 3.025 ( 1.263 -11.894 4.077) 12.637 3.025 ( 1.263 11.894 4.077) 12.637 3.165 ( -3.557 -1.184 -0.099) 3.750 3.165 ( -3.557 1.184 -0.099) 3.750 3.381 ( 0.664 -6.115 -6.204) 8.736 3.381 ( 0.664 6.115 -6.204) 8.736 3.588 ( 0.737 -2.794 -3.832) 4.799 3.588 ( 0.737 2.794 -3.832) 4.800 3.672 ( 1.865 -5.290 2.726) 6.237 3.672 ( 1.865 5.290 2.726) 6.237 3.927 ( 1.068 -1.221 4.586) 4.865 3.927 ( 1.068 1.221 4.586) 4.865 4.026 ( -7.571 -1.618 -1.744) 7.936 4.026 ( -7.571 1.618 -1.744) 7.936 4.273 ( 1.559 -4.100 -0.984) 4.495 4.273 ( 1.559 4.100 -0.984) 4.495 4.387 ( -0.063 -5.832 -2.317) 6.276 4.387 ( -0.063 5.832 -2.317) 6.276 4.509 ( -4.115 -6.166 1.916) 7.656 4.509 ( -4.115 6.166 1.916) 7.656 4.763 ( 1.635 -9.417 0.616) 9.578 4.763 ( 1.635 9.417 0.616) 9.578 4.860 ( -3.154 -3.786 -1.425) 5.130 4.860 ( -3.154 3.786 -1.425) 5.130 4.914 ( 8.939 -3.339 -3.769) 10.259 4.914 ( 8.939 3.339 -3.769) 10.259 5.130 ( 0.805 -1.070 3.235) 3.501 5.130 ( 0.805 1.070 3.235) 3.501 5.283 ( -3.820 -8.251 0.653) 9.116 5.283 ( -3.820 8.251 0.653) 9.116 5.414 ( -0.715 -2.955 0.812) 3.147 5.414 ( -0.715 2.955 0.812) 3.147 5.549 ( 3.708 -3.380 5.142) 7.185 5.549 ( 3.708 3.380 5.142) 7.185 5.637 ( -2.305 -2.555 -0.297) 3.454 5.637 ( -2.305 2.555 -0.297) 3.454 5.852 ( 3.558 -2.473 -0.953) 4.437 5.852 ( 3.558 2.473 -0.953) 4.437 6.089 ( 0.801 -1.572 -2.412) 2.988 6.089 ( 0.801 1.572 -2.412) 2.988 6.148 ( 1.037 -3.333 2.062) 4.054 6.148 ( 1.037 3.333 2.062) 4.054 6.229 ( -1.093 -4.259 -2.441) 5.029 6.229 ( -1.093 4.259 -2.441) 5.029 6.472 ( -2.132 -0.983 -2.005) 3.088 6.472 ( -2.132 0.983 -2.005) 3.088 6.597 ( 0.981 -2.092 1.176) 2.593 6.597 ( 0.981 2.092 1.176) 2.593 6.679 ( -0.188 -0.856 -3.917) 4.014 6.679 ( -0.188 0.856 -3.917) 4.014 6.889 ( -0.521 -8.813 5.301) 10.298 6.889 ( -0.521 8.813 5.301) 10.298 6.898 ( -1.866 -0.693 2.104) 2.896 6.898 ( -1.866 0.693 2.104) 2.896 7.092 ( -3.012 -1.519 0.962) 3.508 7.092 ( -3.012 1.519 0.962) 3.508 7.227 ( 1.090 -1.190 0.993) 1.895 7.227 ( 1.090 1.190 0.993) 1.895 7.258 ( 3.152 -2.289 -2.457) 4.606 7.258 ( 3.152 2.289 -2.457) 4.605 7.471 ( 0.424 -1.823 4.254) 4.648 7.471 ( 0.424 1.823 4.254) 4.648 7.554 ( -0.314 -0.404 -2.385) 2.440 7.554 ( -0.314 0.404 -2.385) 2.440 7.715 ( 1.820 -4.871 -1.135) 5.322 7.715 ( 1.820 4.871 -1.135) 5.322 7.790 ( -0.422 -0.877 1.214) 1.555 7.790 ( -0.422 0.877 1.214) 1.555 7.842 ( -3.553 -5.309 -2.174) 6.748 7.842 ( -3.553 5.309 -2.174) 6.748 7.958 ( 0.924 -1.685 -4.117) 4.544 7.958 ( 0.924 1.685 -4.117) 4.544 8.148 ( -1.203 -1.019 -0.213) 1.591 8.148 ( -1.203 1.019 -0.213) 1.591 8.331 ( 0.118 -4.296 -2.873) 5.169 8.331 ( 0.118 4.296 -2.873) 5.169 8.436 ( 2.672 -2.049 5.794) 6.701 8.436 ( 2.672 2.049 5.794) 6.701 8.707 ( 4.801 -2.644 -0.913) 5.557 8.707 ( 4.801 2.644 -0.913) 5.557 8.897 ( -1.062 -2.627 -0.976) 2.997 8.897 ( -1.062 2.627 -0.976) 2.997 9.066 ( 0.207 -1.071 0.315) 1.135 9.066 ( 0.207 1.071 0.315) 1.135 9.448 ( -3.264 -4.261 -5.968) 8.027 9.448 ( -3.264 4.261 -5.968) 8.027 9.626 ( 1.314 -2.766 2.865) 4.193 9.626 ( 1.314 2.766 2.865) 4.193 10.183 ( -1.890 -1.830 3.488) 4.369 10.183 ( -1.890 1.830 3.488) 4.369 10.497 ( 0.591 -5.770 -1.825) 6.080 10.497 ( 0.591 5.770 -1.825) 6.080 11.241 ( -2.417 -9.937 5.227) 11.485 11.241 ( -2.417 9.937 5.227) 11.485 12.001 ( 2.457 -6.654 -6.533) 9.643 12.001 ( 2.457 6.654 -6.533) 9.643 12.417 ( -1.937 -4.253 4.862) 6.744 12.417 ( -1.937 4.253 4.862) 6.744 12.964 ( 1.579 -10.429 -3.044) 10.979 12.964 ( 1.579 10.429 -3.044) 10.979 15.327 ( 0.198 -1.615 -1.425) 2.163 15.327 ( 0.198 1.615 -1.425) 2.163 16.012 ( 0.598 -2.660 0.203) 2.734 16.012 ( 0.598 2.660 0.203) 2.734 16.830 ( -2.423 -0.555 4.024) 4.730 16.830 ( -2.423 0.555 4.024) 4.730 17.249 ( 1.508 -1.843 -2.341) 3.339 17.249 ( 1.508 1.843 -2.341) 3.339 17.354 ( -1.268 -1.397 -0.164) 1.894 17.354 ( -1.268 1.397 -0.164) 1.894 17.501 ( 0.364 -3.806 0.871) 3.922 17.501 ( 0.364 3.806 0.871) 3.922 17.865 ( 0.601 -0.311 0.549) 0.871 17.865 ( 0.601 0.311 0.549) 0.871 17.975 ( 0.056 -2.004 -0.292) 2.026 17.975 ( 0.056 2.004 -0.292) 2.026 18.255 ( -1.053 -3.942 1.041) 4.211 18.255 ( -1.053 3.942 1.041) 4.211 18.480 ( 0.717 -2.756 -1.642) 3.287 18.480 ( 0.717 2.756 -1.642) 3.287 20.676 ( 0.025 -0.092 0.216) 0.236 20.676 ( 0.025 0.092 0.216) 0.236 20.814 ( 0.084 -0.502 -0.655) 0.830 20.814 ( 0.084 0.502 -0.655) 0.830 21.526 ( -0.558 -0.414 0.928) 1.159 21.526 ( -0.558 0.414 0.928) 1.159 21.624 ( 0.169 -0.467 -0.862) 0.995 21.624 ( 0.169 0.467 -0.862) 0.995 27.238 ( -0.276 -1.066 0.545) 1.228 27.238 ( -0.276 1.066 0.545) 1.228 27.304 ( 0.192 -0.543 -0.460) 0.737 27.304 ( 0.192 0.543 -0.460) 0.737 27.650 ( -0.604 -0.257 0.755) 1.000 27.650 ( -0.604 0.257 0.755) 1.000 27.739 ( 0.176 -0.534 -0.309) 0.641 27.739 ( 0.176 0.534 -0.309) 0.642 35.216 ( 1.137 -3.220 1.206) 3.622 35.216 ( 1.137 3.220 1.206) 3.622 35.619 ( 3.751 -2.485 -2.287) 5.047 35.619 ( 3.751 2.485 -2.287) 5.047 35.904 ( -3.886 -2.346 3.153) 5.527 35.904 ( -3.886 2.346 3.153) 5.527 36.549 ( 1.237 -9.975 -3.520) 10.650 36.549 ( 1.237 9.975 -3.520) 10.650 39.303 ( -1.701 -2.585 4.389) 5.371 39.303 ( -1.701 2.585 4.389) 5.371 39.556 ( 0.013 -1.860 -0.919) 2.075 39.556 ( 0.013 1.860 -0.919) 2.075 40.675 ( -1.931 -2.428 2.965) 4.291 40.675 ( -1.931 2.428 2.965) 4.291 41.170 ( 2.514 -10.832 -4.523) 12.005 41.170 ( 2.514 10.832 -4.523) 12.005 ======================= Grid point 71 (39/80) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.199 ( 3.706 -10.710 4.512) 12.199 2.199 ( 3.706 10.710 4.512) 12.199 2.599 ( -2.396 -15.205 0.395) 15.398 2.599 ( -2.396 15.205 0.395) 15.398 3.001 ( -9.393 -14.849 2.971) 17.819 3.001 ( -9.393 14.849 2.971) 17.819 3.069 ( -0.090 -5.752 -2.521) 6.281 3.069 ( -0.090 5.752 -2.521) 6.281 3.374 ( 4.486 -5.180 -6.620) 9.528 3.374 ( 4.486 5.180 -6.620) 9.528 3.609 ( 2.598 -2.792 -0.998) 3.943 3.609 ( 2.598 2.792 -0.998) 3.943 3.776 ( 4.216 -6.349 2.889) 8.150 3.776 ( 4.216 6.349 2.889) 8.150 3.875 ( -5.860 -2.171 0.536) 6.272 3.875 ( -5.860 2.171 0.536) 6.272 4.018 ( 5.141 -4.493 0.489) 6.845 4.018 ( 5.141 4.493 0.489) 6.845 4.256 ( -0.899 -6.008 -2.807) 6.692 4.256 ( -0.899 6.008 -2.807) 6.692 4.394 ( -3.761 -1.120 -1.437) 4.179 4.394 ( -3.761 1.120 -1.437) 4.179 4.436 ( 3.010 -4.476 -0.279) 5.402 4.436 ( 3.010 4.476 -0.279) 5.402 4.714 ( -2.868 -2.635 -4.361) 5.847 4.714 ( -2.868 2.635 -4.361) 5.847 4.797 ( -1.081 -3.484 1.221) 3.847 4.797 ( -1.081 3.484 1.221) 3.847 5.038 ( 0.470 -5.316 0.397) 5.351 5.038 ( 0.470 5.316 0.397) 5.351 5.141 ( -2.853 -11.168 3.517) 12.051 5.141 ( -2.853 11.168 3.517) 12.051 5.265 ( -1.589 -5.930 1.481) 6.315 5.265 ( -1.589 5.930 1.481) 6.315 5.402 ( 0.535 -1.582 0.561) 1.762 5.402 ( 0.535 1.582 0.561) 1.762 5.553 ( -1.491 -3.292 3.903) 5.319 5.553 ( -1.491 3.292 3.903) 5.319 5.688 ( 2.421 -1.281 1.386) 3.069 5.688 ( 2.421 1.281 1.386) 3.069 5.818 ( -2.396 -2.757 -3.797) 5.269 5.818 ( -2.396 2.757 -3.797) 5.269 6.105 ( 1.777 -0.851 -2.403) 3.108 6.105 ( 1.777 0.851 -2.403) 3.108 6.167 ( 1.199 -3.559 1.784) 4.158 6.167 ( 1.199 3.559 1.784) 4.158 6.293 ( 5.228 -3.423 -0.096) 6.250 6.293 ( 5.228 3.423 -0.096) 6.250 6.397 ( -3.405 -3.051 -2.213) 5.080 6.397 ( -3.405 3.051 -2.213) 5.080 6.612 ( -0.014 -6.371 -0.253) 6.376 6.612 ( -0.014 6.371 -0.253) 6.376 6.698 ( 2.256 -5.443 -0.004) 5.892 6.698 ( 2.256 5.443 -0.004) 5.892 6.865 ( -0.626 -1.114 4.293) 4.479 6.865 ( -0.626 1.114 4.293) 4.479 6.971 ( 0.681 -5.895 3.024) 6.660 6.971 ( 0.681 5.895 3.024) 6.660 7.105 ( 2.347 -0.687 1.352) 2.794 7.105 ( 2.347 0.687 1.352) 2.794 7.177 ( -4.301 -0.783 0.186) 4.376 7.177 ( -4.301 0.783 0.186) 4.376 7.217 ( -3.175 -2.065 -4.520) 5.897 7.217 ( -3.175 2.065 -4.520) 5.897 7.482 ( -3.122 -1.184 4.815) 5.859 7.482 ( -3.122 1.184 4.815) 5.859 7.595 ( 3.631 -2.040 -2.097) 4.663 7.595 ( 3.631 2.040 -2.097) 4.663 7.656 ( -1.823 -2.556 -3.626) 4.797 7.656 ( -1.823 2.556 -3.626) 4.797 7.742 ( -5.263 -4.198 -0.283) 6.738 7.742 ( -5.263 4.198 -0.283) 6.738 7.820 ( 2.775 -4.312 -0.193) 5.132 7.820 ( 2.775 4.312 -0.193) 5.132 8.012 ( 4.108 -6.578 -0.861) 7.802 8.012 ( 4.108 6.578 -0.861) 7.802 8.093 ( 0.269 -1.791 -3.841) 4.247 8.093 ( 0.269 1.791 -3.841) 4.247 8.272 ( -1.477 -2.008 -3.770) 4.520 8.272 ( -1.477 2.008 -3.770) 4.520 8.508 ( -2.740 -1.205 5.135) 5.944 8.508 ( -2.740 1.205 5.135) 5.944 8.730 ( -1.029 -3.050 0.201) 3.226 8.730 ( -1.029 3.050 0.201) 3.226 8.931 ( 0.194 -5.212 1.354) 5.388 8.931 ( 0.194 5.212 1.354) 5.388 9.090 ( 4.254 -1.439 0.308) 4.501 9.090 ( 4.254 1.439 0.308) 4.501 9.345 ( -0.640 -3.329 -5.662) 6.599 9.345 ( -0.640 3.329 -5.662) 6.599 9.670 ( 1.041 -1.094 0.599) 1.625 9.670 ( 1.041 1.094 0.599) 1.625 10.197 ( -0.627 -2.354 3.605) 4.351 10.197 ( -0.627 2.354 3.605) 4.351 10.489 ( 0.519 -4.156 -1.505) 4.450 10.489 ( 0.519 4.156 -1.505) 4.450 11.256 ( -1.770 -10.169 5.236) 11.574 11.256 ( -1.770 10.169 5.236) 11.574 11.998 ( 3.487 -6.849 -5.352) 9.365 11.998 ( 3.487 6.849 -5.352) 9.365 12.460 ( 0.719 -2.229 5.080) 5.594 12.460 ( 0.719 2.229 5.080) 5.594 12.962 ( 1.435 -10.373 -2.960) 10.882 12.962 ( 1.435 10.373 -2.960) 10.882 15.322 ( 0.786 -2.252 -1.605) 2.875 15.322 ( 0.786 2.252 -1.605) 2.875 16.036 ( 0.980 -2.847 0.926) 3.150 16.036 ( 0.980 2.847 0.926) 3.150 16.842 ( -1.014 -0.747 4.712) 4.877 16.842 ( -1.014 0.747 4.712) 4.877 17.241 ( 0.681 -3.557 -3.131) 4.788 17.241 ( 0.681 3.557 -3.131) 4.788 17.333 ( -0.464 -1.063 -0.498) 1.262 17.333 ( -0.464 1.063 -0.498) 1.262 17.519 ( 0.225 -2.925 1.437) 3.267 17.519 ( 0.225 2.925 1.437) 3.267 17.866 ( -1.121 -0.855 0.572) 1.521 17.866 ( -1.121 0.855 0.572) 1.521 17.986 ( 1.074 -1.659 0.084) 1.978 17.986 ( 1.074 1.659 0.084) 1.978 18.242 ( -0.977 -3.511 0.506) 3.680 18.242 ( -0.977 3.511 0.506) 3.680 18.471 ( 0.361 -3.012 -1.845) 3.551 18.471 ( 0.361 3.012 -1.845) 3.551 20.679 ( -0.045 -0.201 0.372) 0.425 20.679 ( -0.045 0.201 0.372) 0.425 20.806 ( 0.005 -0.236 -0.990) 1.017 20.806 ( 0.005 0.236 -0.990) 1.017 21.522 ( -0.713 -0.421 0.750) 1.117 21.522 ( -0.713 0.421 0.750) 1.117 21.625 ( 0.795 -0.617 -0.790) 1.279 21.625 ( 0.795 0.617 -0.790) 1.279 27.239 ( -0.251 -1.080 0.560) 1.243 27.239 ( -0.251 1.080 0.560) 1.243 27.306 ( 0.404 -0.562 -0.406) 0.803 27.306 ( 0.404 0.562 -0.406) 0.803 27.652 ( -0.046 -0.203 0.845) 0.871 27.652 ( -0.046 0.203 0.845) 0.871 27.737 ( -0.038 -0.715 -0.413) 0.827 27.737 ( -0.038 0.715 -0.413) 0.827 35.221 ( -2.005 -2.611 1.429) 3.589 35.221 ( -2.005 2.611 1.429) 3.589 35.629 ( -0.554 -2.339 -2.562) 3.514 35.629 ( -0.554 2.339 -2.562) 3.514 35.879 ( -1.557 -2.853 2.994) 4.419 35.879 ( -1.557 2.853 2.994) 4.419 36.544 ( 2.211 -10.131 -3.866) 11.067 36.544 ( 2.211 10.131 -3.866) 11.067 39.313 ( -2.139 -1.785 4.545) 5.331 39.313 ( -2.139 1.785 4.545) 5.331 39.580 ( 2.700 -3.848 0.140) 4.702 39.580 ( 2.700 3.848 0.140) 4.702 40.638 ( -3.716 -2.015 1.299) 4.422 40.638 ( -3.716 2.015 1.299) 4.422 41.192 ( 3.599 -9.928 -3.454) 11.111 41.192 ( 3.599 9.928 -3.454) 11.111 ======================= Grid point 73 (40/80) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.324 ( 3.254 -0.980 3.542) 4.909 2.324 ( 3.254 0.980 3.542) 4.909 2.551 ( -3.418 -19.879 3.616) 20.493 2.551 ( -3.418 19.879 3.616) 20.493 2.855 ( -5.528 -14.316 0.131) 15.347 2.855 ( -5.528 14.316 0.131) 15.347 3.113 ( 4.588 -6.682 1.842) 8.312 3.113 ( 4.588 6.682 1.842) 8.312 3.347 ( -0.350 -6.442 -8.102) 10.357 3.347 ( -0.350 6.442 -8.102) 10.357 3.607 ( -0.372 -3.986 -3.522) 5.332 3.607 ( -0.372 3.986 -3.522) 5.332 3.797 ( 0.496 -3.250 2.905) 4.387 3.797 ( 0.496 3.250 2.905) 4.387 3.951 ( 5.181 -2.975 4.594) 7.536 3.951 ( 5.181 2.975 4.594) 7.536 4.083 ( 1.998 -7.455 -2.922) 8.253 4.083 ( 1.998 7.455 -2.922) 8.253 4.200 ( -2.544 -4.393 -3.138) 5.968 4.200 ( -2.544 4.393 -3.138) 5.968 4.327 ( 1.409 -4.220 0.195) 4.453 4.327 ( 1.409 4.220 0.195) 4.453 4.507 ( 0.868 -9.112 2.235) 9.422 4.507 ( 0.868 9.112 2.235) 9.422 4.654 ( -3.951 -2.222 3.443) 5.692 4.654 ( -3.951 2.222 3.443) 5.692 4.814 ( 2.889 -3.874 0.192) 4.836 4.814 ( 2.889 3.874 0.192) 4.836 4.970 ( -5.491 -7.128 -2.941) 9.466 4.970 ( -5.491 7.128 -2.941) 9.466 5.100 ( -0.574 -7.703 -0.797) 7.765 5.100 ( -0.574 7.703 -0.797) 7.765 5.233 ( -2.585 -15.033 2.018) 15.386 5.233 ( -2.585 15.033 2.018) 15.386 5.405 ( -2.304 -1.694 0.964) 3.018 5.405 ( -2.304 1.694 0.964) 3.018 5.608 ( 1.448 -2.185 4.059) 4.832 5.608 ( 1.448 2.186 4.059) 4.832 5.720 ( -3.840 -1.886 -1.506) 4.536 5.720 ( -3.840 1.886 -1.506) 4.536 5.797 ( 7.264 -1.376 0.788) 7.435 5.797 ( 7.264 1.376 0.788) 7.435 6.074 ( -1.915 -2.163 -5.852) 6.526 6.074 ( -1.915 2.163 -5.852) 6.526 6.221 ( 2.563 -4.525 -0.539) 5.228 6.221 ( 2.563 4.525 -0.539) 5.228 6.302 ( -2.568 -2.810 -1.719) 4.177 6.302 ( -2.568 2.810 -1.719) 4.177 6.401 ( 4.598 -3.531 4.644) 7.428 6.401 ( 4.598 3.531 4.644) 7.428 6.609 ( -1.080 -4.832 -2.231) 5.430 6.609 ( -1.080 4.832 -2.231) 5.430 6.685 ( 1.840 -2.834 -4.101) 5.314 6.685 ( 1.840 2.834 -4.101) 5.314 6.906 ( -2.078 -5.495 1.959) 6.193 6.906 ( -2.078 5.495 1.959) 6.193 6.984 ( -0.986 -1.670 1.750) 2.613 6.984 ( -0.986 1.670 1.750) 2.613 7.053 ( -6.224 -1.869 1.032) 6.580 7.053 ( -6.224 1.869 1.032) 6.580 7.129 ( -0.127 -4.019 2.588) 4.782 7.129 ( -0.127 4.019 2.587) 4.782 7.242 ( 4.466 -3.609 1.052) 5.838 7.242 ( 4.466 3.609 1.052) 5.838 7.493 ( -1.925 -3.603 3.119) 5.140 7.493 ( -1.925 3.603 3.119) 5.140 7.531 ( -3.388 -3.015 -0.748) 4.596 7.531 ( -3.388 3.015 -0.748) 4.596 7.681 ( -0.132 -2.468 -0.325) 2.493 7.681 ( -0.132 2.468 -0.325) 2.493 7.700 ( 3.468 -5.326 -0.333) 6.364 7.700 ( 3.468 5.326 -0.333) 6.364 7.848 ( 1.813 -1.663 -1.145) 2.714 7.848 ( 1.813 1.663 -1.145) 2.714 7.958 ( -2.004 -5.746 -3.100) 6.829 7.958 ( -2.004 5.746 -3.100) 6.829 8.120 ( -2.172 -4.209 0.844) 4.811 8.120 ( -2.172 4.209 0.844) 4.811 8.261 ( 2.532 -2.564 -1.842) 4.047 8.261 ( 2.532 2.564 -1.842) 4.047 8.486 ( -1.768 -4.673 2.696) 5.677 8.486 ( -1.768 4.673 2.696) 5.677 8.678 ( -2.740 -4.737 -2.045) 5.842 8.678 ( -2.740 4.737 -2.045) 5.842 8.916 ( 0.595 -5.075 -1.853) 5.435 8.916 ( 0.595 5.075 -1.853) 5.435 9.213 ( 3.427 -1.217 3.399) 4.977 9.213 ( 3.427 1.217 3.399) 4.977 9.296 ( 0.545 -4.326 -3.320) 5.480 9.296 ( 0.545 4.326 -3.320) 5.480 9.680 ( 0.704 -2.754 -1.431) 3.182 9.680 ( 0.704 2.754 -1.431) 3.182 10.219 ( -0.505 -4.364 2.537) 5.073 10.219 ( -0.505 4.364 2.537) 5.073 10.490 ( 0.745 -1.195 -0.811) 1.625 10.490 ( 0.745 1.195 -0.811) 1.625 11.268 ( -1.998 -10.837 4.132) 11.768 11.268 ( -1.998 10.837 4.132) 11.768 12.017 ( 3.087 -5.586 -3.876) 7.467 12.017 ( 3.087 5.586 -3.876) 7.467 12.522 ( 1.175 -4.262 2.270) 4.970 12.522 ( 1.175 4.262 2.270) 4.970 12.960 ( 1.318 -9.583 -2.805) 10.072 12.960 ( 1.318 9.583 -2.805) 10.072 15.324 ( 1.042 -4.502 -1.415) 4.833 15.324 ( 1.042 4.502 -1.415) 4.833 16.053 ( 0.296 -3.077 -0.255) 3.102 16.053 ( 0.296 3.077 -0.255) 3.102 16.872 ( -1.103 -0.865 4.572) 4.782 16.872 ( -1.103 0.865 4.572) 4.782 17.223 ( 1.014 -4.024 -3.316) 5.312 17.223 ( 1.014 4.024 -3.316) 5.312 17.330 ( 0.305 -2.079 0.307) 2.123 17.330 ( 0.305 2.079 0.307) 2.123 17.532 ( -0.259 -1.589 0.832) 1.812 17.532 ( -0.259 1.589 0.832) 1.812 17.844 ( -1.525 -1.421 0.709) 2.202 17.844 ( -1.525 1.421 0.709) 2.202 18.003 ( 0.431 -3.355 -0.124) 3.385 18.003 ( 0.431 3.355 -0.124) 3.385 18.234 ( -0.399 -1.329 0.879) 1.643 18.234 ( -0.399 1.329 0.879) 1.643 18.464 ( 0.686 -3.708 -1.514) 4.063 18.464 ( 0.686 3.708 -1.514) 4.063 20.680 ( -0.202 -0.546 0.253) 0.635 20.680 ( -0.202 0.546 0.253) 0.635 20.800 ( 0.306 -0.726 -0.643) 1.017 20.800 ( 0.306 0.726 -0.643) 1.017 21.517 ( -0.578 -0.279 0.866) 1.078 21.517 ( -0.578 0.279 0.866) 1.078 21.635 ( 0.950 -1.175 -0.776) 1.698 21.635 ( 0.950 1.175 -0.776) 1.698 27.239 ( -0.236 -0.706 0.493) 0.893 27.239 ( -0.236 0.706 0.493) 0.893 27.309 ( 0.371 -0.560 -0.426) 0.796 27.309 ( 0.371 0.560 -0.426) 0.796 27.662 ( 0.128 -0.467 0.769) 0.909 27.662 ( 0.128 0.467 0.769) 0.909 27.732 ( -0.059 -0.970 -0.319) 1.023 27.732 ( -0.059 0.970 -0.319) 1.023 35.184 ( -2.676 -3.473 0.990) 4.495 35.184 ( -2.676 3.473 0.990) 4.495 35.559 ( -3.566 -4.596 -1.313) 5.963 35.559 ( -3.566 4.596 -1.313) 5.963 35.905 ( 0.950 -2.968 2.369) 3.915 35.905 ( 0.950 2.968 2.369) 3.915 36.556 ( 2.624 -9.637 -3.350) 10.535 36.556 ( 2.624 9.637 -3.350) 10.535 39.310 ( -2.432 -0.502 3.752) 4.499 39.310 ( -2.432 0.502 3.752) 4.499 39.638 ( 2.601 -6.340 -0.414) 6.865 39.638 ( 2.601 6.340 -0.414) 6.865 40.587 ( -2.898 -5.532 2.358) 6.676 40.587 ( -2.898 5.532 2.358) 6.676 41.221 ( 2.980 -9.697 -3.924) 10.877 41.221 ( 2.980 9.697 -3.924) 10.877 ======================= Grid point 90 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -2.881 0.000 33.151) 33.276 1.230 ( -0.949 0.000 32.625) 32.638 2.107 ( 2.077 0.000 34.197) 34.260 2.324 ( 1.706 0.000 -19.722) 19.796 2.343 ( 3.768 0.000 -8.493) 9.291 2.641 ( 6.174 0.000 -9.284) 11.149 2.691 ( -1.439 0.000 -1.137) 1.834 2.877 ( 4.988 0.000 2.258) 5.475 2.978 ( 5.411 0.000 -1.666) 5.662 3.132 ( 5.460 0.000 -10.116) 11.496 3.292 ( -16.286 0.000 -1.112) 16.324 3.478 ( -15.925 0.000 -4.345) 16.507 3.506 ( 11.681 0.000 0.261) 11.684 3.733 ( 1.158 0.000 3.937) 4.104 3.842 ( -3.026 0.000 0.801) 3.130 3.960 ( 3.979 0.000 -0.603) 4.024 4.015 ( 6.411 0.000 1.660) 6.623 4.082 ( -0.739 0.000 9.093) 9.123 4.115 ( -5.876 0.000 1.817) 6.151 4.122 ( 0.156 0.000 2.479) 2.484 4.201 ( -1.394 0.000 1.770) 2.254 4.232 ( -6.046 0.000 7.058) 9.294 4.396 ( 6.314 0.000 -0.605) 6.343 4.409 ( 1.433 0.000 -7.035) 7.179 4.461 ( -3.996 0.000 -2.380) 4.651 4.572 ( -1.229 0.000 -5.611) 5.744 4.645 ( -0.057 0.000 5.450) 5.450 4.857 ( 0.962 0.000 2.334) 2.524 4.902 ( 1.477 0.000 -0.017) 1.477 5.039 ( 0.236 0.000 1.871) 1.886 5.040 ( -2.875 0.000 -10.720) 11.099 5.054 ( 2.454 0.000 2.009) 3.172 5.276 ( 5.470 0.000 -7.267) 9.096 5.322 ( -8.156 0.000 -12.797) 15.175 5.425 ( -4.240 0.000 8.279) 9.302 5.579 ( -5.593 0.000 -0.653) 5.631 5.586 ( 4.979 0.000 -3.625) 6.159 5.635 ( -2.714 0.000 -1.578) 3.139 5.672 ( -3.131 0.000 -5.230) 6.096 5.769 ( 3.131 0.000 -7.621) 8.240 5.864 ( 4.236 0.000 -0.296) 4.246 5.917 ( 2.552 0.000 -0.287) 2.568 5.998 ( -1.440 0.000 1.117) 1.823 6.004 ( -0.870 0.000 -2.868) 2.997 6.238 ( -8.844 0.000 8.623) 12.352 6.276 ( 2.985 0.000 3.764) 4.804 6.332 ( 5.317 0.000 10.709) 11.957 6.415 ( 9.365 0.000 0.213) 9.367 6.424 ( -3.089 0.000 4.855) 5.754 6.572 ( -5.805 0.000 -0.644) 5.840 6.620 ( -4.855 0.000 -1.378) 5.047 6.641 ( 0.030 0.000 -0.043) 0.053 6.672 ( 2.921 0.000 3.506) 4.563 6.750 ( -1.522 0.000 -0.640) 1.651 6.815 ( -0.944 0.000 -0.558) 1.097 6.915 ( 2.226 0.000 3.591) 4.225 6.918 ( 0.270 0.000 -3.294) 3.305 6.931 ( -0.630 0.000 3.841) 3.892 6.986 ( 1.403 0.000 -2.586) 2.943 7.075 ( -0.927 0.000 -4.105) 4.209 7.130 ( -2.421 0.000 3.744) 4.458 7.245 ( -4.750 0.000 -0.455) 4.772 7.279 ( -1.026 0.000 -0.243) 1.054 7.303 ( 4.292 0.000 -1.177) 4.451 7.396 ( -4.235 0.000 -4.618) 6.266 7.410 ( 2.900 0.000 -1.560) 3.293 7.482 ( -1.361 0.000 0.489) 1.447 7.499 ( 7.511 0.000 -1.166) 7.601 7.603 ( -0.545 0.000 8.191) 8.209 7.726 ( 5.867 0.000 2.414) 6.344 7.787 ( 4.351 0.000 3.816) 5.788 7.872 ( -3.229 0.000 0.912) 3.356 7.876 ( -2.267 0.000 -1.408) 2.669 7.916 ( -3.369 0.000 7.187) 7.937 7.997 ( 0.139 0.000 -3.604) 3.607 8.035 ( -9.270 0.000 3.963) 10.081 8.177 ( 6.657 0.000 1.007) 6.733 8.227 ( 2.751 0.000 -7.187) 7.695 8.334 ( -0.603 0.000 -0.834) 1.029 8.362 ( 4.672 0.000 -0.264) 4.680 8.497 ( -2.328 0.000 -1.505) 2.772 8.573 ( -2.811 0.000 -1.527) 3.198 8.608 ( 2.407 0.000 -4.350) 4.972 8.611 ( -1.698 0.000 0.157) 1.705 8.960 ( 3.749 0.000 -0.262) 3.758 9.009 ( -6.245 0.000 0.429) 6.260 9.021 ( -0.693 0.000 0.360) 0.781 9.216 ( -4.885 0.000 6.397) 8.049 9.227 ( 10.347 0.000 -6.272) 12.099 9.348 ( 6.229 0.000 -2.815) 6.836 9.584 ( -4.439 0.000 4.824) 6.555 9.855 ( 7.275 0.000 -6.642) 9.851 9.889 ( -0.924 0.000 3.171) 3.303 10.129 ( -18.817 0.000 -9.231) 20.959 10.378 ( 1.149 0.000 3.443) 3.629 10.434 ( 7.366 0.000 0.844) 7.414 10.942 ( -2.534 0.000 7.006) 7.450 11.226 ( 3.806 0.000 -7.235) 8.175 11.862 ( -7.980 0.000 12.276) 14.642 12.277 ( 7.681 0.000 -6.421) 10.012 12.314 ( -1.113 0.000 0.926) 1.448 12.402 ( -2.856 0.000 -2.426) 3.747 13.374 ( -0.027 0.000 3.919) 3.919 13.504 ( -15.231 0.000 -3.280) 15.580 15.009 ( -3.657 0.000 6.113) 7.123 15.381 ( 16.411 0.000 -13.469) 21.230 15.875 ( 0.052 0.000 1.016) 1.017 15.953 ( -1.252 0.000 -1.756) 2.157 17.012 ( -2.746 0.000 3.650) 4.568 17.043 ( -1.878 0.000 3.037) 3.570 17.103 ( 0.485 0.000 -1.331) 1.417 17.161 ( 1.439 0.000 -2.595) 2.968 17.294 ( -0.509 0.000 1.499) 1.582 17.326 ( -0.442 0.000 0.594) 0.740 17.621 ( -0.374 0.000 1.599) 1.642 17.685 ( -2.538 0.000 -0.866) 2.682 17.821 ( -0.383 0.000 -1.487) 1.535 17.884 ( 4.392 0.000 -4.025) 5.958 18.047 ( -0.937 0.000 3.123) 3.260 18.144 ( 0.307 0.000 -1.934) 1.958 18.365 ( -2.223 0.000 0.071) 2.224 18.454 ( 1.685 0.000 -4.587) 4.886 18.653 ( -0.531 0.000 5.256) 5.283 18.779 ( 2.259 0.000 -0.878) 2.423 20.764 ( 1.099 0.000 0.387) 1.165 20.767 ( -1.215 0.000 0.248) 1.240 20.871 ( -0.646 0.000 2.872) 2.944 20.996 ( 3.545 0.000 -3.352) 4.879 21.493 ( -0.906 0.000 0.596) 1.084 21.508 ( -0.538 0.000 1.438) 1.536 21.522 ( 0.295 0.000 -0.892) 0.940 21.548 ( 0.797 0.000 -0.566) 0.978 27.252 ( 0.529 0.000 0.543) 0.758 27.267 ( -2.636 0.000 0.844) 2.767 27.274 ( -0.210 0.000 -0.568) 0.606 27.307 ( 3.835 0.000 -1.133) 3.999 27.592 ( -0.137 0.000 0.219) 0.259 27.606 ( -0.071 0.000 -0.563) 0.568 27.675 ( -0.548 0.000 0.613) 0.823 27.683 ( -0.147 0.000 0.330) 0.362 35.049 ( -4.341 0.000 0.485) 4.368 35.082 ( 7.025 0.000 -1.217) 7.130 35.515 ( -0.014 0.000 4.419) 4.419 35.600 ( -2.270 0.000 0.936) 2.455 36.021 ( 1.558 0.000 -1.662) 2.278 36.039 ( 2.622 0.000 -3.776) 4.597 36.496 ( 1.577 0.000 5.432) 5.656 36.616 ( -2.650 0.000 -1.142) 2.886 39.390 ( -6.701 0.000 11.397) 13.222 39.721 ( 7.140 0.000 2.633) 7.610 39.844 ( 9.941 0.000 -7.464) 12.432 39.888 ( -20.381 0.000 -1.595) 20.444 40.257 ( -7.291 0.000 -1.140) 7.380 40.305 ( 6.887 0.000 -4.283) 8.110 41.095 ( -0.316 0.000 5.260) 5.269 41.298 ( -1.925 0.000 -4.823) 5.193 ======================= Grid point 91 (42/80) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 6.083 0.000 26.458) 27.149 1.703 ( 15.993 0.000 28.743) 32.893 2.155 ( 7.185 0.000 -24.800) 25.820 2.229 ( 11.736 0.000 -21.786) 24.746 2.327 ( -11.294 0.000 1.282) 11.367 2.657 ( -2.589 0.000 -3.558) 4.400 2.710 ( -6.067 0.000 0.265) 6.073 2.846 ( -3.049 0.000 -7.730) 8.309 3.037 ( 2.164 0.000 -1.117) 2.435 3.105 ( 2.453 0.000 -10.980) 11.251 3.237 ( -0.229 0.000 30.197) 30.197 3.282 ( -1.697 0.000 3.684) 4.056 3.689 ( -4.856 0.000 2.204) 5.333 3.730 ( -1.079 0.000 -6.031) 6.126 3.775 ( 9.802 0.000 3.896) 10.548 3.858 ( -5.281 0.000 -8.684) 10.164 3.995 ( -5.137 0.000 -0.152) 5.139 4.009 ( -8.087 0.000 -0.820) 8.128 4.125 ( -3.426 0.000 7.526) 8.269 4.164 ( 2.619 0.000 4.684) 5.366 4.203 ( -2.352 0.000 3.136) 3.920 4.219 ( 1.243 0.000 0.901) 1.535 4.446 ( 1.796 0.000 -0.871) 1.996 4.494 ( 7.702 0.000 -1.832) 7.917 4.521 ( 3.574 0.000 -6.198) 7.155 4.606 ( 10.722 0.000 1.037) 10.772 4.729 ( 2.694 0.000 4.607) 5.337 4.811 ( -1.968 0.000 -5.193) 5.554 4.924 ( 0.799 0.000 -2.396) 2.526 4.929 ( 0.682 0.000 0.889) 1.120 5.112 ( 3.796 0.000 5.205) 6.442 5.113 ( -4.014 0.000 -9.293) 10.123 5.219 ( 5.798 0.000 4.825) 7.544 5.255 ( -1.559 0.000 -5.747) 5.955 5.398 ( -4.494 0.000 5.438) 7.054 5.481 ( -1.602 0.000 -1.915) 2.497 5.579 ( -5.489 0.000 3.040) 6.274 5.612 ( 0.295 0.000 4.940) 4.949 5.696 ( 4.394 0.000 0.381) 4.410 5.716 ( -5.304 0.000 -10.597) 11.850 5.801 ( -4.233 0.000 -2.415) 4.873 5.903 ( -0.286 0.000 -1.513) 1.540 5.922 ( -3.226 0.000 -0.333) 3.243 6.014 ( 3.787 0.000 -0.965) 3.908 6.152 ( -3.432 0.000 6.398) 7.261 6.264 ( -8.533 0.000 -3.183) 9.108 6.334 ( -0.811 0.000 1.086) 1.356 6.410 ( -5.985 0.000 -0.982) 6.065 6.480 ( -1.668 0.000 4.906) 5.181 6.586 ( 2.564 0.000 7.126) 7.573 6.617 ( 2.033 0.000 -2.538) 3.252 6.631 ( -1.386 0.000 2.416) 2.786 6.785 ( -3.421 0.000 1.237) 3.638 6.797 ( 3.450 0.000 0.577) 3.498 6.841 ( 6.789 0.000 4.590) 8.195 6.897 ( 0.982 0.000 -3.252) 3.398 6.905 ( -3.593 0.000 1.479) 3.885 6.946 ( 1.076 0.000 -5.079) 5.192 7.000 ( -0.910 0.000 -2.652) 2.804 7.023 ( 4.942 0.000 1.084) 5.060 7.130 ( -3.470 0.000 4.509) 5.689 7.208 ( -5.297 0.000 -1.498) 5.505 7.217 ( 1.281 0.000 3.016) 3.277 7.270 ( -1.388 0.000 0.750) 1.578 7.383 ( -0.692 0.000 -3.859) 3.921 7.424 ( 5.826 0.000 0.520) 5.849 7.495 ( 0.265 0.000 0.690) 0.739 7.675 ( 10.140 0.000 -5.684) 11.624 7.696 ( 0.470 0.000 2.754) 2.794 7.794 ( -6.409 0.000 3.248) 7.185 7.819 ( -1.512 0.000 -3.350) 3.676 7.859 ( 5.370 0.000 -0.108) 5.371 7.883 ( -6.403 0.000 4.333) 7.731 7.914 ( -1.914 0.000 4.220) 4.634 7.915 ( 0.765 0.000 -8.242) 8.277 7.958 ( 5.469 0.000 8.767) 10.333 8.250 ( 3.717 0.000 -4.019) 5.475 8.289 ( 4.095 0.000 -3.100) 5.136 8.308 ( -2.154 0.000 0.266) 2.170 8.433 ( -3.963 0.000 3.615) 5.364 8.465 ( 6.884 0.000 -5.120) 8.580 8.496 ( -0.627 0.000 -3.362) 3.420 8.601 ( -0.831 0.000 1.523) 1.735 8.617 ( 0.707 0.000 -0.869) 1.121 8.875 ( -5.620 0.000 4.256) 7.050 8.931 ( -5.487 0.000 -0.563) 5.516 8.979 ( -6.131 0.000 -5.287) 8.096 9.114 ( -5.802 0.000 4.142) 7.129 9.320 ( 2.907 0.000 -6.756) 7.355 9.409 ( 2.351 0.000 -1.649) 2.871 9.558 ( -4.539 0.000 6.630) 8.035 9.807 ( -5.102 0.000 -3.302) 6.078 9.949 ( 8.982 0.000 -9.424) 13.019 9.975 ( 1.320 0.000 10.758) 10.838 10.426 ( 0.868 0.000 0.829) 1.200 10.555 ( 7.094 0.000 -3.083) 7.735 10.964 ( -1.610 0.000 4.854) 5.114 11.219 ( 3.055 0.000 -7.281) 7.896 11.824 ( -8.073 0.000 12.144) 14.582 12.287 ( 2.972 0.000 -7.107) 7.703 12.362 ( 1.426 0.000 -2.211) 2.631 12.450 ( 8.562 0.000 5.193) 10.014 13.220 ( -15.765 0.000 6.564) 17.077 13.424 ( -1.359 0.000 7.924) 8.040 14.947 ( -6.941 0.000 3.082) 7.594 15.418 ( 4.893 0.000 -16.670) 17.373 15.900 ( 0.402 0.000 2.511) 2.542 15.912 ( -0.558 0.000 -1.337) 1.449 16.949 ( -4.837 0.000 2.581) 5.482 17.017 ( -4.313 0.000 -1.280) 4.499 17.070 ( -1.540 0.000 5.943) 6.139 17.235 ( 5.505 0.000 -1.937) 5.836 17.310 ( 0.602 0.000 1.343) 1.472 17.354 ( 2.833 0.000 -0.858) 2.960 17.604 ( -3.119 0.000 1.727) 3.565 17.626 ( -2.607 0.000 -0.521) 2.658 17.842 ( 3.491 0.000 -1.832) 3.942 17.950 ( 5.996 0.000 -3.126) 6.762 18.038 ( -2.568 0.000 2.580) 3.640 18.113 ( -1.866 0.000 -1.510) 2.401 18.337 ( -1.742 0.000 2.066) 2.702 18.449 ( 2.538 0.000 -4.189) 4.898 18.687 ( -0.292 0.000 2.745) 2.760 18.818 ( 2.924 0.000 -2.620) 3.926 20.743 ( -1.421 0.000 -0.098) 1.425 20.787 ( 0.869 0.000 0.387) 0.951 20.864 ( -2.727 0.000 1.568) 3.146 20.950 ( -3.054 0.000 -2.837) 4.168 21.478 ( -1.282 0.000 1.351) 1.863 21.512 ( -0.338 0.000 0.851) 0.916 21.519 ( 0.205 0.000 -0.694) 0.724 21.552 ( 0.420 0.000 -0.982) 1.068 27.216 ( -2.520 0.000 0.777) 2.637 27.268 ( 0.412 0.000 -0.894) 0.984 27.278 ( 1.101 0.000 0.386) 1.167 27.349 ( 1.601 0.000 -1.321) 2.076 27.595 ( 0.094 0.000 0.341) 0.354 27.604 ( 0.392 0.000 -0.307) 0.498 27.672 ( -0.573 0.000 0.773) 0.962 27.676 ( -0.786 0.000 0.228) 0.819 35.026 ( 1.483 0.000 1.108) 1.851 35.282 ( 13.741 0.000 -5.435) 14.777 35.552 ( -1.103 0.000 4.127) 4.272 35.581 ( 0.147 0.000 1.037) 1.048 36.005 ( -1.713 0.000 -4.438) 4.757 36.012 ( -0.077 0.000 -2.452) 2.453 36.554 ( -1.619 0.000 -1.544) 2.237 36.589 ( 1.634 0.000 4.664) 4.942 39.352 ( -9.137 0.000 11.890) 14.995 39.556 ( -10.788 0.000 3.164) 11.242 39.806 ( 5.101 0.000 -7.448) 9.027 40.076 ( 2.802 0.000 -3.168) 4.230 40.097 ( 1.922 0.000 6.897) 7.160 40.489 ( 12.184 0.000 -4.884) 13.127 41.160 ( 0.326 0.000 6.659) 6.667 41.213 ( -1.305 0.000 -3.778) 3.997 ======================= Grid point 92 (43/80) ======================= q-point: (-0.60 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -25.743 0.000 -12.797) 28.749 1.763 ( -16.259 0.000 13.108) 20.884 2.191 ( 8.763 0.000 -28.523) 29.838 2.231 ( 10.500 0.000 16.475) 19.537 2.260 ( 10.706 0.000 -9.951) 14.617 2.608 ( 4.941 0.000 12.079) 13.051 2.618 ( -3.982 0.000 4.126) 5.734 2.917 ( 8.159 0.000 -5.843) 10.035 3.044 ( 8.410 0.000 -9.758) 12.882 3.063 ( 1.829 0.000 -1.648) 2.462 3.296 ( -0.178 0.000 0.042) 0.183 3.297 ( -12.555 0.000 7.580) 14.665 3.616 ( -7.866 0.000 2.615) 8.290 3.629 ( -5.078 0.000 -12.863) 13.829 3.768 ( 5.623 0.000 -3.613) 6.684 3.926 ( -4.489 0.000 11.236) 12.099 3.947 ( -1.785 0.000 2.827) 3.344 3.995 ( 7.356 0.000 3.224) 8.032 4.140 ( -4.175 0.000 7.792) 8.840 4.167 ( -4.488 0.000 7.020) 8.332 4.254 ( -0.838 0.000 0.561) 1.009 4.255 ( 1.568 0.000 1.482) 2.158 4.457 ( 2.793 0.000 -6.020) 6.636 4.561 ( 4.207 0.000 -3.328) 5.364 4.566 ( -0.084 0.000 1.654) 1.656 4.692 ( 0.537 0.000 0.544) 0.765 4.748 ( -4.356 0.000 -3.796) 5.777 4.801 ( 2.033 0.000 1.415) 2.476 4.987 ( 8.487 0.000 -4.242) 9.488 5.006 ( 6.785 0.000 -0.120) 6.786 5.031 ( 2.769 0.000 2.352) 3.633 5.139 ( -2.775 0.000 -4.608) 5.379 5.213 ( 3.328 0.000 4.439) 5.548 5.318 ( -1.303 0.000 11.293) 11.368 5.377 ( -4.552 0.000 2.443) 5.166 5.450 ( -1.640 0.000 -2.427) 2.930 5.500 ( -0.396 0.000 -6.397) 6.409 5.562 ( -8.670 0.000 -7.399) 11.398 5.579 ( 1.367 0.000 -3.377) 3.643 5.716 ( 1.324 0.000 8.620) 8.721 5.784 ( 3.370 0.000 4.271) 5.441 5.849 ( -3.090 0.000 -2.013) 3.688 6.075 ( 5.327 0.000 -5.341) 7.544 6.079 ( 12.625 0.000 4.868) 13.531 6.180 ( 0.355 0.000 3.736) 3.752 6.224 ( 0.968 0.000 4.161) 4.272 6.245 ( -2.574 0.000 -3.095) 4.026 6.383 ( -3.179 0.000 0.893) 3.302 6.446 ( -4.788 0.000 1.349) 4.974 6.454 ( -9.208 0.000 -3.682) 9.917 6.627 ( -5.202 0.000 4.644) 6.973 6.653 ( 2.136 0.000 -1.435) 2.573 6.717 ( -3.358 0.000 1.331) 3.612 6.734 ( -6.339 0.000 -3.518) 7.249 6.843 ( -4.459 0.000 1.135) 4.601 6.912 ( 3.062 0.000 -3.020) 4.301 6.971 ( 5.010 0.000 0.729) 5.063 6.978 ( 5.053 0.000 -2.072) 5.461 7.033 ( -6.539 0.000 2.296) 6.930 7.074 ( 2.720 0.000 4.188) 4.994 7.130 ( 2.373 0.000 1.076) 2.605 7.170 ( 3.022 0.000 1.748) 3.491 7.290 ( 1.094 0.000 2.588) 2.810 7.296 ( 3.038 0.000 0.714) 3.120 7.403 ( 2.823 0.000 1.123) 3.038 7.489 ( -1.561 0.000 2.595) 3.028 7.494 ( -0.955 0.000 -1.332) 1.639 7.606 ( -5.656 0.000 -2.878) 6.346 7.653 ( -6.105 0.000 -9.668) 11.434 7.698 ( 2.109 0.000 -5.430) 5.826 7.709 ( -5.009 0.000 5.594) 7.509 7.875 ( -0.851 0.000 2.949) 3.069 7.925 ( 3.761 0.000 -2.895) 4.747 7.941 ( -3.078 0.000 7.133) 7.769 8.002 ( 8.279 0.000 -4.481) 9.414 8.163 ( 0.579 0.000 -12.415) 12.428 8.165 ( 3.823 0.000 7.914) 8.789 8.309 ( 1.318 0.000 3.124) 3.391 8.344 ( 0.139 0.000 -0.563) 0.579 8.421 ( 0.915 0.000 -5.453) 5.529 8.452 ( -0.979 0.000 -2.735) 2.905 8.516 ( 0.459 0.000 3.515) 3.545 8.574 ( -1.653 0.000 0.853) 1.861 8.591 ( -1.448 0.000 -1.493) 2.080 8.798 ( -5.359 0.000 -0.064) 5.359 8.812 ( -2.108 0.000 -4.211) 4.709 8.896 ( -0.172 0.000 6.620) 6.622 9.098 ( -0.511 0.000 1.492) 1.577 9.240 ( -1.281 0.000 -7.690) 7.796 9.400 ( 0.863 0.000 -5.726) 5.791 9.557 ( -2.910 0.000 8.139) 8.643 9.805 ( 1.538 0.000 5.055) 5.284 9.975 ( 5.275 0.000 -13.554) 14.545 10.113 ( 0.888 0.000 11.543) 11.577 10.389 ( -5.235 0.000 -1.138) 5.358 10.666 ( 7.901 0.000 -3.541) 8.658 10.971 ( -1.572 0.000 2.358) 2.834 11.204 ( 3.094 0.000 -6.839) 7.506 11.816 ( -5.763 0.000 12.452) 13.721 12.266 ( 3.062 0.000 -8.482) 9.018 12.409 ( 3.934 0.000 0.455) 3.961 12.651 ( 7.073 0.000 -3.013) 7.688 13.097 ( -8.303 0.000 22.853) 24.314 13.460 ( -4.507 0.000 9.156) 10.205 14.855 ( -3.635 0.000 1.284) 3.855 15.289 ( 0.416 0.000 -17.677) 17.682 15.910 ( 0.903 0.000 -0.249) 0.936 15.924 ( -0.698 0.000 2.174) 2.283 16.902 ( -2.263 0.000 1.885) 2.946 16.950 ( -1.288 0.000 -0.918) 1.582 17.094 ( -3.051 0.000 7.565) 8.157 17.313 ( 3.940 0.000 -0.977) 4.059 17.331 ( -0.400 0.000 1.368) 1.425 17.384 ( 2.304 0.000 -3.874) 4.508 17.547 ( -4.017 0.000 1.950) 4.465 17.591 ( 0.528 0.000 -1.322) 1.423 17.896 ( 3.009 0.000 -0.430) 3.039 18.015 ( -2.348 0.000 2.451) 3.395 18.027 ( 1.563 0.000 -2.073) 2.596 18.054 ( 0.745 0.000 -2.362) 2.476 18.351 ( -0.055 0.000 4.646) 4.646 18.469 ( 3.222 0.000 -2.875) 4.318 18.680 ( -2.349 0.000 0.350) 2.375 18.811 ( 0.462 0.000 -5.620) 5.639 20.713 ( -1.511 0.000 -0.022) 1.511 20.801 ( -1.359 0.000 -0.604) 1.487 20.808 ( -1.145 0.000 -0.081) 1.148 20.868 ( -3.104 0.000 -1.148) 3.309 21.474 ( -0.641 0.000 1.427) 1.565 21.511 ( -0.486 0.000 0.513) 0.706 21.518 ( 0.407 0.000 -0.600) 0.725 21.545 ( 0.191 0.000 -1.374) 1.387 27.196 ( -0.698 0.000 1.287) 1.464 27.269 ( 0.817 0.000 -1.490) 1.700 27.301 ( 0.763 0.000 0.608) 0.975 27.347 ( -0.484 0.000 -0.796) 0.931 27.600 ( 0.029 0.000 0.437) 0.438 27.615 ( 0.898 0.000 -0.209) 0.922 27.662 ( -0.930 0.000 0.404) 1.014 27.670 ( -0.237 0.000 0.475) 0.531 35.110 ( 3.102 0.000 4.557) 5.513 35.417 ( 6.491 0.000 -6.449) 9.150 35.549 ( -3.158 0.000 3.979) 5.080 35.663 ( 6.973 0.000 1.625) 7.159 35.894 ( -4.223 0.000 -6.437) 7.699 35.974 ( -0.160 0.000 -4.341) 4.344 36.550 ( 1.873 0.000 0.388) 1.913 36.623 ( -1.990 0.000 2.245) 3.000 39.318 ( -5.713 0.000 10.598) 12.040 39.498 ( -2.395 0.000 7.505) 7.878 39.746 ( -2.099 0.000 -9.882) 10.103 39.959 ( -0.264 0.000 -7.018) 7.023 40.327 ( 2.540 0.000 9.898) 10.218 40.637 ( 9.525 0.000 -6.541) 11.555 41.217 ( 3.731 0.000 0.359) 3.748 41.230 ( 0.144 0.000 6.149) 6.151 ======================= Grid point 93 (44/80) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -26.412 0.000 10.817) 28.542 1.395 ( -27.720 0.000 11.578) 30.041 2.175 ( 13.672 0.000 -18.328) 22.866 2.218 ( -18.165 0.000 5.802) 19.069 2.488 ( 12.032 0.000 0.523) 12.043 2.573 ( -9.850 0.000 6.840) 11.992 2.777 ( -1.063 0.000 1.480) 1.822 2.991 ( 11.665 0.000 -2.029) 11.840 3.041 ( 0.633 0.000 -6.575) 6.605 3.170 ( -0.645 0.000 -16.433) 16.445 3.245 ( 1.093 0.000 4.157) 4.298 3.329 ( 8.136 0.000 2.221) 8.434 3.443 ( -3.855 0.000 -1.003) 3.983 3.486 ( 4.552 0.000 -0.545) 4.584 3.828 ( 0.753 0.000 4.335) 4.400 3.893 ( -4.583 0.000 -4.438) 6.380 4.020 ( -1.145 0.000 10.023) 10.088 4.088 ( -5.355 0.000 6.162) 8.164 4.127 ( -0.319 0.000 4.066) 4.079 4.181 ( -0.597 0.000 -0.043) 0.598 4.199 ( -1.522 0.000 0.412) 1.577 4.227 ( -4.558 0.000 5.618) 7.235 4.482 ( 4.811 0.000 -1.965) 5.197 4.521 ( -1.327 0.000 -7.232) 7.352 4.542 ( -4.661 0.000 2.112) 5.117 4.683 ( -4.151 0.000 5.378) 6.794 4.735 ( 2.088 0.000 0.758) 2.222 4.822 ( -1.015 0.000 -1.596) 1.891 4.982 ( -4.972 0.000 -3.140) 5.880 5.094 ( 9.544 0.000 -8.082) 12.507 5.148 ( 2.052 0.000 -3.487) 4.046 5.168 ( 7.354 0.000 -3.151) 8.001 5.213 ( -6.760 0.000 -1.166) 6.860 5.367 ( 5.737 0.000 5.393) 7.874 5.379 ( 0.164 0.000 5.571) 5.573 5.481 ( 6.769 0.000 4.778) 8.285 5.487 ( 2.416 0.000 1.950) 3.105 5.561 ( 7.215 0.000 -7.934) 10.725 5.625 ( 7.375 0.000 2.988) 7.958 5.714 ( -2.986 0.000 -6.052) 6.749 5.769 ( -3.543 0.000 0.702) 3.612 5.942 ( 5.350 0.000 2.041) 5.726 6.118 ( -4.303 0.000 -3.299) 5.422 6.137 ( -5.087 0.000 -7.844) 9.349 6.174 ( -0.462 0.000 4.208) 4.234 6.236 ( -4.092 0.000 1.465) 4.347 6.276 ( -0.745 0.000 4.785) 4.843 6.347 ( 1.734 0.000 0.595) 1.833 6.372 ( 1.039 0.000 -0.977) 1.426 6.419 ( 8.503 0.000 2.802) 8.953 6.566 ( -7.007 0.000 5.147) 8.694 6.610 ( -0.190 0.000 -2.462) 2.470 6.641 ( -0.564 0.000 -3.165) 3.215 6.722 ( 3.309 0.000 2.033) 3.884 6.780 ( -3.927 0.000 2.720) 4.777 6.923 ( -6.337 0.000 -0.054) 6.337 6.927 ( 1.260 0.000 -2.317) 2.637 7.027 ( 0.927 0.000 -3.515) 3.635 7.038 ( -0.518 0.000 5.252) 5.277 7.098 ( -0.861 0.000 2.693) 2.827 7.249 ( 5.395 0.000 3.190) 6.268 7.278 ( 2.495 0.000 2.159) 3.299 7.343 ( 1.801 0.000 0.681) 1.926 7.344 ( 0.276 0.000 5.061) 5.069 7.357 ( -6.904 0.000 -4.089) 8.024 7.364 ( -6.602 0.000 -1.596) 6.793 7.483 ( -1.939 0.000 5.549) 5.878 7.511 ( -0.491 0.000 -2.823) 2.865 7.573 ( 3.616 0.000 -3.053) 4.732 7.705 ( 3.398 0.000 -7.745) 8.458 7.710 ( -3.189 0.000 5.493) 6.352 7.864 ( -3.076 0.000 1.176) 3.293 7.884 ( -1.275 0.000 -5.157) 5.313 7.927 ( -1.806 0.000 2.773) 3.310 7.987 ( -0.699 0.000 -5.794) 5.836 8.191 ( 7.045 0.000 -2.825) 7.591 8.256 ( 1.304 0.000 7.229) 7.346 8.266 ( -6.726 0.000 2.053) 7.033 8.328 ( -4.172 0.000 0.307) 4.183 8.414 ( 0.011 0.000 -1.035) 1.035 8.442 ( -0.139 0.000 2.513) 2.517 8.507 ( 3.507 0.000 -6.354) 7.258 8.511 ( -1.740 0.000 -0.136) 1.746 8.667 ( 4.063 0.000 -3.220) 5.184 8.783 ( 3.650 0.000 0.353) 3.667 8.807 ( 4.590 0.000 -1.728) 4.904 8.972 ( 2.622 0.000 5.265) 5.881 9.119 ( -0.425 0.000 4.058) 4.081 9.165 ( 1.973 0.000 -7.322) 7.584 9.338 ( 0.574 0.000 -9.033) 9.052 9.600 ( -1.986 0.000 8.349) 8.582 9.895 ( 0.875 0.000 -9.211) 9.252 9.944 ( 3.681 0.000 10.149) 10.796 10.178 ( -2.223 0.000 -9.431) 9.689 10.262 ( -7.291 0.000 14.586) 16.306 10.746 ( 5.570 0.000 -9.001) 10.585 10.950 ( -3.127 0.000 2.697) 4.129 11.207 ( 4.101 0.000 -6.549) 7.727 11.841 ( -4.916 0.000 12.421) 13.359 12.241 ( 3.707 0.000 -9.069) 9.798 12.485 ( 1.597 0.000 2.219) 2.734 12.584 ( -4.457 0.000 -8.709) 9.783 13.416 ( 11.397 0.000 25.433) 27.870 13.423 ( -6.046 0.000 4.497) 7.535 14.866 ( 1.763 0.000 4.083) 4.448 15.106 ( -0.719 0.000 -16.085) 16.101 15.913 ( -1.691 0.000 0.398) 1.737 15.933 ( 0.897 0.000 1.174) 1.477 16.905 ( 0.730 0.000 1.574) 1.735 16.954 ( 2.542 0.000 -0.907) 2.699 17.100 ( -4.485 0.000 7.758) 8.961 17.317 ( -1.927 0.000 1.170) 2.254 17.327 ( -1.920 0.000 -2.561) 3.201 17.370 ( 0.310 0.000 -1.502) 1.533 17.535 ( 1.387 0.000 1.163) 1.810 17.630 ( 4.599 0.000 -1.570) 4.859 17.944 ( 1.275 0.000 2.100) 2.457 17.950 ( -2.996 0.000 -3.343) 4.489 17.993 ( -2.128 0.000 0.697) 2.240 18.108 ( 3.659 0.000 -2.068) 4.203 18.414 ( 0.626 0.000 4.747) 4.788 18.506 ( 2.366 0.000 -1.912) 3.041 18.616 ( -3.677 0.000 0.527) 3.714 18.741 ( -0.696 0.000 -5.189) 5.235 20.705 ( 0.366 0.000 2.820) 2.843 20.749 ( -0.878 0.000 -1.439) 1.686 20.814 ( -2.014 0.000 0.108) 2.017 20.822 ( 0.517 0.000 0.990) 1.117 21.480 ( -0.202 0.000 1.285) 1.300 21.505 ( -0.546 0.000 0.534) 0.764 21.522 ( 0.704 0.000 -0.724) 1.010 21.536 ( 0.270 0.000 -1.140) 1.171 27.209 ( 0.341 0.000 1.478) 1.517 27.264 ( 0.568 0.000 -2.244) 2.315 27.314 ( -0.339 0.000 0.892) 0.954 27.323 ( -1.257 0.000 -0.401) 1.319 27.602 ( -0.336 0.000 0.398) 0.520 27.623 ( 0.219 0.000 -0.699) 0.732 27.659 ( 0.149 0.000 0.903) 0.915 27.673 ( 0.316 0.000 0.025) 0.317 35.179 ( -1.990 0.000 5.659) 5.998 35.414 ( 0.445 0.000 -9.866) 9.876 35.521 ( -4.132 0.000 4.186) 5.882 35.717 ( -7.345 0.000 -1.453) 7.487 35.842 ( 10.164 0.000 -3.487) 10.746 35.947 ( 2.783 0.000 -4.476) 5.271 36.560 ( -5.401 0.000 0.194) 5.404 36.611 ( 2.552 0.000 1.738) 3.088 39.340 ( -3.511 0.000 10.607) 11.173 39.602 ( 3.368 0.000 11.733) 12.207 39.611 ( -1.782 0.000 -6.500) 6.739 39.885 ( 1.437 0.000 -10.651) 10.748 40.397 ( -2.871 0.000 6.711) 7.300 40.719 ( 6.869 0.000 -9.002) 11.323 41.261 ( -1.773 0.000 0.314) 1.800 41.313 ( 4.014 0.000 0.798) 4.092 ======================= Grid point 94 (45/80) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -11.983 0.000 33.755) 35.819 1.114 ( -19.056 0.000 26.205) 32.401 1.862 ( -29.085 0.000 38.368) 48.146 2.319 ( 12.813 0.000 -7.310) 14.751 2.438 ( -2.864 0.000 -6.555) 7.154 2.731 ( 9.649 0.000 -3.589) 10.295 2.748 ( -0.044 0.000 -7.190) 7.190 2.856 ( -5.036 0.000 -16.353) 17.111 2.915 ( 0.363 0.000 -11.034) 11.040 3.115 ( 6.295 0.000 -7.875) 10.082 3.310 ( 4.619 0.000 1.691) 4.919 3.579 ( 9.211 0.000 4.416) 10.215 3.618 ( 17.269 0.000 3.633) 17.647 3.659 ( 4.790 0.000 2.225) 5.281 3.662 ( -12.283 0.000 -8.144) 14.737 3.888 ( -1.389 0.000 6.378) 6.528 3.965 ( -5.728 0.000 -1.278) 5.869 4.038 ( -4.956 0.000 8.058) 9.460 4.107 ( -5.284 0.000 9.987) 11.299 4.153 ( -1.845 0.000 4.187) 4.575 4.206 ( 0.319 0.000 0.169) 0.362 4.293 ( -2.653 0.000 3.423) 4.331 4.415 ( -3.168 0.000 -3.956) 5.068 4.451 ( -1.948 0.000 -2.348) 3.051 4.568 ( 1.597 0.000 6.430) 6.626 4.646 ( -2.115 0.000 -1.922) 2.857 4.677 ( -11.187 0.000 -2.590) 11.483 4.793 ( 0.006 0.000 7.086) 7.086 4.920 ( -0.328 0.000 -4.739) 4.751 5.020 ( 0.263 0.000 -2.369) 2.383 5.139 ( 5.557 0.000 -13.767) 14.847 5.167 ( -8.881 0.000 -1.283) 8.973 5.224 ( 6.400 0.000 -7.327) 9.729 5.408 ( -3.295 0.000 5.411) 6.335 5.522 ( 7.607 0.000 -4.457) 8.817 5.557 ( -1.535 0.000 -7.565) 7.719 5.599 ( 3.781 0.000 -1.722) 4.154 5.662 ( 14.580 0.000 3.189) 14.925 5.682 ( -2.332 0.000 1.052) 2.559 5.803 ( 5.870 0.000 2.149) 6.251 5.825 ( 9.924 0.000 -1.998) 10.123 5.857 ( -6.375 0.000 -5.724) 8.568 5.943 ( -3.418 0.000 -4.678) 5.794 6.027 ( -7.624 0.000 2.239) 7.946 6.171 ( 3.960 0.000 2.625) 4.751 6.215 ( -0.146 0.000 0.670) 0.686 6.274 ( -4.208 0.000 4.888) 6.450 6.323 ( 1.609 0.000 -3.005) 3.409 6.458 ( -5.246 0.000 2.235) 5.703 6.539 ( 7.554 0.000 3.359) 8.268 6.599 ( 2.723 0.000 4.617) 5.360 6.662 ( 3.606 0.000 -3.501) 5.026 6.686 ( -1.877 0.000 5.400) 5.717 6.760 ( 0.293 0.000 3.960) 3.971 6.769 ( 0.815 0.000 2.809) 2.925 6.835 ( -1.728 0.000 3.067) 3.520 6.942 ( -0.720 0.000 -0.940) 1.184 6.978 ( 0.694 0.000 -2.407) 2.505 7.034 ( -6.478 0.000 3.360) 7.297 7.129 ( 1.966 0.000 -2.257) 2.993 7.182 ( -5.588 0.000 -3.551) 6.621 7.187 ( -1.340 0.000 -1.685) 2.153 7.331 ( -0.369 0.000 -0.159) 0.402 7.332 ( 3.193 0.000 2.095) 3.819 7.386 ( -6.029 0.000 -0.083) 6.029 7.391 ( 4.372 0.000 -2.360) 4.968 7.510 ( -1.445 0.000 2.842) 3.188 7.530 ( -0.327 0.000 -0.667) 0.742 7.562 ( -0.520 0.000 2.842) 2.889 7.637 ( -0.032 0.000 -3.162) 3.162 7.704 ( -1.476 0.000 4.478) 4.715 7.867 ( 0.363 0.000 5.983) 5.994 7.892 ( 3.329 0.000 -0.978) 3.470 7.917 ( -1.131 0.000 -0.303) 1.170 7.969 ( 2.647 0.000 -1.631) 3.109 8.142 ( -5.844 0.000 1.125) 5.952 8.172 ( -9.391 0.000 1.858) 9.573 8.286 ( 4.877 0.000 -2.161) 5.334 8.330 ( -3.869 0.000 -5.276) 6.543 8.356 ( 0.553 0.000 -0.680) 0.876 8.533 ( 1.599 0.000 -2.944) 3.350 8.552 ( 3.801 0.000 5.714) 6.862 8.566 ( 5.153 0.000 4.812) 7.051 8.620 ( 2.048 0.000 -8.238) 8.489 8.852 ( 5.197 0.000 -4.112) 6.627 8.936 ( 6.596 0.000 0.849) 6.651 9.107 ( 1.816 0.000 4.287) 4.656 9.134 ( -1.615 0.000 8.294) 8.450 9.169 ( 4.059 0.000 -6.633) 7.777 9.277 ( 3.779 0.000 -6.776) 7.758 9.620 ( -3.990 0.000 6.193) 7.367 9.829 ( 2.257 0.000 -6.925) 7.284 9.976 ( -6.381 0.000 -5.874) 8.673 10.178 ( 8.667 0.000 9.392) 12.779 10.322 ( -1.206 0.000 8.361) 8.448 10.609 ( -8.955 0.000 -15.408) 17.821 10.930 ( -3.695 0.000 6.994) 7.911 11.221 ( 4.229 0.000 -6.940) 8.127 11.867 ( -5.649 0.000 12.415) 13.640 12.232 ( 4.924 0.000 -8.616) 9.924 12.401 ( -5.607 0.000 -5.270) 7.695 12.483 ( -3.314 0.000 0.459) 3.345 13.364 ( -2.220 0.000 1.492) 2.675 13.737 ( 2.511 0.000 -4.462) 5.120 14.962 ( 1.311 0.000 6.701) 6.828 15.101 ( 14.687 0.000 -3.256) 15.044 15.883 ( -1.186 0.000 -0.150) 1.195 15.962 ( 0.494 0.000 1.236) 1.331 16.959 ( 2.894 0.000 1.858) 3.439 17.022 ( 5.463 0.000 -1.199) 5.593 17.080 ( -4.881 0.000 6.165) 7.864 17.239 ( -3.804 0.000 -2.343) 4.467 17.297 ( -1.241 0.000 1.252) 1.763 17.351 ( -1.573 0.000 -0.208) 1.587 17.588 ( 2.168 0.000 1.114) 2.438 17.697 ( 3.596 0.000 -2.694) 4.493 17.879 ( -0.020 0.000 -3.853) 3.853 17.911 ( -5.759 0.000 -1.205) 5.884 18.004 ( 1.295 0.000 3.820) 4.034 18.141 ( 2.197 0.000 -2.342) 3.211 18.415 ( -2.119 0.000 -0.950) 2.323 18.482 ( 0.220 0.000 -5.375) 5.379 18.607 ( -1.236 0.000 6.452) 6.569 18.743 ( 2.474 0.000 0.022) 2.474 20.742 ( 0.791 0.000 -0.183) 0.812 20.786 ( -1.120 0.000 0.551) 1.248 20.839 ( 8.869 0.000 5.077) 10.220 20.846 ( 0.359 0.000 2.049) 2.080 21.490 ( -0.031 0.000 1.081) 1.082 21.504 ( -0.286 0.000 0.896) 0.941 21.525 ( 0.524 0.000 -1.173) 1.284 21.537 ( 0.690 0.000 -0.437) 0.817 27.231 ( 0.658 0.000 0.988) 1.187 27.257 ( 1.300 0.000 -1.359) 1.881 27.296 ( -1.038 0.000 -0.407) 1.115 27.303 ( -1.847 0.000 1.053) 2.126 27.596 ( -0.487 0.000 0.200) 0.526 27.615 ( -0.171 0.000 -0.685) 0.706 27.675 ( 0.437 0.000 0.616) 0.756 27.678 ( 0.098 0.000 -0.087) 0.131 35.142 ( -6.082 0.000 3.102) 6.827 35.182 ( -10.275 0.000 -10.003) 14.340 35.491 ( -2.484 0.000 4.048) 4.749 35.630 ( -2.359 0.000 1.431) 2.759 35.980 ( 6.942 0.000 -2.807) 7.487 35.986 ( 3.922 0.000 -2.358) 4.576 36.471 ( -3.806 0.000 2.688) 4.659 36.650 ( -0.263 0.000 0.765) 0.809 39.380 ( -4.421 0.000 11.636) 12.448 39.588 ( 3.938 0.000 -1.395) 4.178 39.822 ( 3.631 0.000 -10.463) 11.075 39.847 ( 10.041 0.000 9.161) 13.592 40.368 ( -5.018 0.000 2.524) 5.617 40.627 ( -7.964 0.000 -18.509) 20.149 41.131 ( -7.790 0.000 -1.088) 7.866 41.351 ( 0.768 0.000 -2.608) 2.718 ======================= Grid point 95 (46/80) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.965 18.343 26.934) 32.601 1.563 ( -1.803 21.795 26.514) 34.370 2.247 ( -3.349 9.488 9.900) 14.116 2.345 ( -1.531 9.173 -3.442) 9.916 2.479 ( 5.821 8.437 -4.696) 11.275 2.682 ( 4.036 3.675 -9.588) 11.033 2.740 ( 2.564 5.858 1.487) 6.565 2.963 ( 0.371 2.824 4.551) 5.369 3.007 ( 10.373 9.912 -8.077) 16.464 3.154 ( 2.041 2.635 -5.554) 6.477 3.319 ( -9.706 1.217 -3.206) 10.294 3.530 ( -2.947 5.675 -0.651) 6.428 3.578 ( -1.381 4.181 -1.536) 4.664 3.743 ( 0.931 1.262 2.737) 3.155 3.822 ( -5.510 -1.669 4.139) 7.090 3.955 ( 0.492 -1.514 -1.469) 2.166 3.992 ( 8.522 -0.031 1.194) 8.605 4.064 ( -5.190 -1.468 7.155) 8.960 4.107 ( 2.246 -0.977 2.895) 3.792 4.172 ( -2.832 5.192 2.529) 6.432 4.235 ( 0.509 5.683 1.577) 5.920 4.302 ( -3.905 2.045 5.384) 6.958 4.357 ( 1.709 -1.169 -1.473) 2.541 4.473 ( -2.076 2.108 -2.851) 4.109 4.503 ( 2.622 3.431 -5.305) 6.840 4.571 ( -0.843 2.869 2.213) 3.720 4.710 ( -0.853 4.485 -1.540) 4.818 4.803 ( 0.601 -4.818 -0.939) 4.945 4.832 ( -0.793 -3.558 2.927) 4.675 5.005 ( 3.526 -1.772 -8.312) 9.201 5.042 ( 0.827 0.620 2.589) 2.787 5.091 ( 3.499 -1.304 -1.659) 4.086 5.244 ( -0.352 -2.884 -5.765) 6.456 5.339 ( -7.527 1.694 -10.192) 12.783 5.392 ( -5.516 -2.852 5.134) 8.057 5.525 ( 3.060 -3.317 0.038) 4.513 5.597 ( -1.442 1.229 -0.938) 2.114 5.636 ( 1.346 -0.234 -1.592) 2.098 5.672 ( -3.595 0.226 -6.655) 7.568 5.773 ( 1.866 2.034 -3.945) 4.815 5.825 ( -2.731 -3.092 -1.993) 4.581 5.939 ( 4.557 2.074 -3.359) 6.029 6.000 ( -5.140 -1.510 3.283) 6.283 6.017 ( 6.431 -0.800 -2.354) 6.895 6.240 ( 6.689 -4.059 5.221) 9.406 6.282 ( -9.629 4.200 9.136) 13.922 6.344 ( 0.920 0.673 4.852) 4.984 6.356 ( -2.435 -3.165 2.544) 4.735 6.449 ( -5.145 -6.653 2.636) 8.813 6.497 ( 4.358 2.905 -0.562) 5.268 6.621 ( 0.202 2.275 -0.725) 2.396 6.684 ( 2.061 1.109 0.723) 2.450 6.713 ( -3.204 1.136 1.364) 3.663 6.735 ( 3.965 1.243 -1.631) 4.464 6.816 ( 2.072 -2.974 -3.266) 4.878 6.883 ( -0.856 2.044 -2.794) 3.566 6.944 ( 2.041 1.363 2.532) 3.526 6.972 ( -2.888 0.692 0.104) 2.972 7.036 ( -2.683 -0.537 3.495) 4.438 7.096 ( -2.227 -0.262 -2.087) 3.064 7.116 ( 0.583 5.884 1.683) 6.148 7.223 ( 2.318 -0.093 5.784) 6.232 7.264 ( -0.916 -1.409 -0.535) 1.764 7.315 ( 0.371 -4.971 -2.376) 5.522 7.374 ( -2.975 4.103 -2.043) 5.465 7.383 ( 2.631 -0.903 -2.281) 3.597 7.492 ( -1.233 0.046 -0.380) 1.290 7.544 ( 4.943 2.076 0.397) 5.375 7.599 ( -0.934 0.121 3.742) 3.859 7.727 ( -1.027 -0.286 2.260) 2.498 7.769 ( 2.204 -2.552 2.871) 4.429 7.837 ( 0.925 1.267 3.245) 3.605 7.855 ( 0.915 -2.233 2.047) 3.165 7.947 ( 1.881 1.000 0.436) 2.175 7.996 ( -6.394 -2.548 6.591) 9.530 8.051 ( -0.118 0.833 -0.710) 1.101 8.144 ( 1.839 -2.373 -0.286) 3.015 8.208 ( 1.935 0.222 -5.122) 5.479 8.331 ( 1.009 -0.941 -3.715) 3.963 8.369 ( 1.351 -1.992 -3.744) 4.452 8.438 ( -1.608 -6.373 0.747) 6.615 8.497 ( 0.328 -0.739 -3.454) 3.547 8.562 ( -0.700 -0.059 0.621) 0.938 8.618 ( 0.397 -2.738 -0.379) 2.793 8.940 ( 0.790 -1.523 -0.349) 1.751 8.995 ( 0.091 -2.227 -2.140) 3.090 9.049 ( -4.034 2.635 0.349) 4.831 9.212 ( 6.819 0.452 -1.198) 6.938 9.264 ( -1.121 2.357 1.481) 3.001 9.333 ( 3.002 -0.604 -3.372) 4.555 9.575 ( -1.540 -1.128 5.533) 5.853 9.717 ( 1.597 -4.509 0.977) 4.882 10.072 ( 1.144 8.600 -1.589) 8.820 10.206 ( -10.427 4.471 -7.840) 13.790 10.369 ( -0.366 0.028 4.385) 4.400 10.501 ( 4.341 4.498 -2.173) 6.619 10.963 ( -3.536 2.361 8.546) 9.546 11.345 ( 4.083 9.576 -11.908) 15.817 11.853 ( -6.971 -1.058 10.371) 12.541 12.227 ( 5.641 -4.402 -7.168) 10.128 12.297 ( -0.948 -0.429 3.425) 3.580 12.448 ( -0.284 3.487 -4.329) 5.566 13.295 ( -6.648 -10.294 4.362) 13.008 13.380 ( -5.359 -6.726 0.601) 8.621 15.085 ( 0.004 5.120 1.659) 5.383 15.354 ( 11.110 -1.259 -11.568) 16.088 15.911 ( -0.270 2.464 0.671) 2.567 15.981 ( -1.642 2.389 -2.382) 3.752 16.974 ( -4.164 -2.782 3.183) 5.934 17.010 ( 0.122 -2.034 2.054) 2.894 17.113 ( 2.391 0.185 0.362) 2.425 17.180 ( -0.840 1.403 -2.385) 2.892 17.314 ( -0.492 1.692 2.076) 2.723 17.371 ( -0.497 3.340 -0.294) 3.390 17.599 ( -2.964 -2.457 2.166) 4.417 17.683 ( 0.401 -0.199 -0.892) 0.999 17.829 ( 0.329 0.716 -1.538) 1.728 17.878 ( 2.297 -0.325 -3.134) 3.899 18.034 ( -0.754 -1.377 3.286) 3.642 18.144 ( 0.672 -0.338 -2.374) 2.490 18.327 ( -2.503 -3.226 0.187) 4.087 18.420 ( 2.074 -2.834 -4.070) 5.376 18.600 ( -0.414 -4.945 4.953) 7.011 18.727 ( 1.820 -4.663 -1.310) 5.174 20.727 ( 0.499 -2.562 1.077) 2.824 20.749 ( -1.030 -1.740 -0.161) 2.029 20.864 ( -0.284 -0.779 2.464) 2.599 20.953 ( 2.704 -3.184 -1.315) 4.380 21.499 ( -1.106 0.876 1.323) 1.934 21.509 ( -0.068 0.505 1.143) 1.251 21.551 ( 0.428 0.991 -0.516) 1.197 21.582 ( 0.782 3.039 -2.673) 4.122 27.249 ( 0.007 -0.292 0.506) 0.584 27.261 ( -1.252 -0.286 0.237) 1.306 27.279 ( -0.449 0.243 0.008) 0.510 27.305 ( 2.446 -0.033 -0.771) 2.565 27.601 ( -0.203 0.858 0.283) 0.926 27.616 ( -0.103 0.999 -0.552) 1.146 27.684 ( -0.382 0.746 0.860) 1.201 27.700 ( -0.044 1.388 0.070) 1.390 35.068 ( -5.430 1.705 -0.006) 5.692 35.100 ( 7.283 1.596 -1.333) 7.574 35.498 ( -0.275 -1.523 4.539) 4.796 35.597 ( -1.883 -0.333 0.456) 1.966 36.000 ( 0.974 -2.824 -0.174) 2.992 36.037 ( 2.080 1.439 -2.627) 3.647 36.399 ( -1.915 -4.248 9.414) 10.504 36.714 ( 2.281 3.532 -8.272) 9.279 39.357 ( -6.157 -2.363 9.118) 11.253 39.598 ( -3.400 -7.388 2.178) 8.419 39.725 ( 6.792 -5.967 3.383) 9.653 40.067 ( -9.899 4.618 -8.502) 13.842 40.284 ( 5.264 1.440 -2.988) 6.222 40.334 ( 0.354 6.741 -3.810) 7.752 41.046 ( -3.630 -3.370 8.214) 9.592 41.337 ( 1.378 1.996 -6.582) 7.015 ======================= Grid point 96 (47/80) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 11.812 11.336 23.250) 28.436 1.878 ( 7.473 17.459 23.101) 29.905 2.110 ( 3.460 3.127 -14.836) 15.552 2.331 ( -11.724 4.928 -7.391) 14.709 2.431 ( 8.209 11.878 -12.482) 19.086 2.653 ( -1.740 1.855 -5.940) 6.462 2.765 ( -2.024 2.862 -4.469) 5.680 2.975 ( -4.549 6.742 -1.346) 8.244 3.029 ( -0.516 5.740 -2.131) 6.144 3.169 ( 2.413 3.599 -6.957) 8.196 3.302 ( -1.298 4.555 3.521) 5.902 3.416 ( 3.290 12.989 20.628) 24.598 3.665 ( -7.666 -3.257 -0.521) 8.346 3.750 ( 5.911 1.606 0.167) 6.128 3.761 ( -3.607 1.497 2.916) 4.874 3.885 ( -2.299 -2.168 -1.069) 3.336 3.921 ( -4.212 1.263 -0.939) 4.496 4.030 ( -5.410 1.044 -1.058) 5.610 4.150 ( -0.613 2.360 2.918) 3.803 4.205 ( 3.864 3.700 2.478) 5.896 4.263 ( -1.421 3.826 0.543) 4.117 4.289 ( 0.982 5.284 0.247) 5.380 4.457 ( -0.552 0.194 1.020) 1.176 4.499 ( 8.634 -0.462 -0.703) 8.674 4.550 ( 4.864 0.872 -4.734) 6.843 4.613 ( 5.651 3.650 -0.762) 6.770 4.734 ( 2.056 0.302 4.817) 5.246 4.765 ( 0.446 -2.816 -1.390) 3.172 4.845 ( 0.897 -3.097 -1.555) 3.580 4.956 ( -0.118 -1.685 -3.264) 3.676 5.117 ( -2.063 0.171 -8.949) 9.185 5.141 ( 0.573 0.187 -2.674) 2.741 5.182 ( 1.751 0.559 6.180) 6.448 5.242 ( 3.688 -2.643 0.230) 4.543 5.410 ( 2.771 0.182 3.626) 4.567 5.481 ( -4.172 -0.399 -1.006) 4.310 5.518 ( -6.859 -2.131 1.681) 7.376 5.637 ( 2.332 -1.431 3.795) 4.679 5.659 ( -2.746 2.267 -2.045) 4.106 5.741 ( -2.960 0.523 -2.223) 3.739 5.798 ( -2.079 -1.662 -2.806) 3.868 5.876 ( -2.820 -1.110 -0.947) 3.175 5.925 ( 1.418 0.243 -4.412) 4.641 6.051 ( -1.094 1.267 1.242) 2.084 6.174 ( -6.150 2.392 5.192) 8.396 6.215 ( -5.244 -3.931 -0.276) 6.560 6.339 ( -3.351 -2.976 0.417) 4.501 6.387 ( -0.494 -1.522 3.531) 3.877 6.478 ( -0.064 -2.738 1.118) 2.958 6.542 ( 1.196 4.952 5.997) 7.869 6.638 ( -0.711 -1.126 -1.105) 1.730 6.691 ( -0.383 1.860 -2.885) 3.454 6.733 ( 2.580 -3.794 0.690) 4.640 6.797 ( 3.764 -1.663 -2.025) 4.586 6.815 ( -1.149 -1.218 -0.535) 1.758 6.877 ( 3.691 3.931 3.589) 6.477 6.920 ( -0.345 1.233 -1.153) 1.724 6.954 ( -5.345 -1.135 -1.534) 5.676 7.049 ( 3.097 2.556 -1.560) 4.308 7.091 ( -0.749 1.046 2.587) 2.889 7.118 ( 0.074 3.395 1.933) 3.907 7.226 ( -2.619 1.711 1.716) 3.568 7.253 ( -0.573 2.757 -1.581) 3.229 7.283 ( -0.740 0.881 1.034) 1.547 7.352 ( 0.404 -2.103 -2.450) 3.254 7.433 ( 4.549 0.042 0.953) 4.648 7.474 ( -0.085 -1.143 0.137) 1.154 7.665 ( 1.670 -2.057 0.967) 2.821 7.697 ( 7.051 -2.230 -0.561) 7.417 7.729 ( -1.414 -3.446 1.461) 4.001 7.765 ( -2.095 -3.127 -0.532) 3.802 7.822 ( -2.872 0.090 0.753) 2.970 7.909 ( 0.527 0.249 -0.880) 1.055 7.940 ( 0.511 3.248 3.310) 4.665 7.973 ( -1.270 5.336 -3.531) 6.524 8.050 ( 4.178 4.312 4.331) 7.403 8.190 ( 2.040 -3.740 1.056) 4.389 8.249 ( 4.076 -3.544 -8.017) 9.666 8.304 ( -0.711 -1.126 -1.577) 2.064 8.378 ( 3.014 -8.723 0.700) 9.256 8.453 ( -1.917 -0.214 0.656) 2.037 8.475 ( 3.037 -0.867 -1.019) 3.318 8.542 ( -0.960 0.997 1.122) 1.782 8.623 ( -0.062 0.026 -2.282) 2.283 8.875 ( -3.762 -5.284 -0.271) 6.492 8.945 ( -3.221 0.026 -1.617) 3.605 8.977 ( -4.881 3.407 0.018) 5.953 9.148 ( -7.517 2.721 0.332) 8.001 9.322 ( 4.617 -0.357 -6.139) 7.689 9.366 ( 1.660 -2.117 1.557) 3.108 9.557 ( -4.763 -0.094 1.985) 5.161 9.810 ( 5.701 -5.715 0.567) 8.093 9.951 ( -6.656 10.826 0.157) 12.710 10.128 ( 2.421 7.056 0.807) 7.503 10.415 ( 0.672 -1.225 2.409) 2.785 10.568 ( 5.410 1.159 -3.922) 6.782 10.984 ( -2.920 2.491 7.565) 8.482 11.311 ( 4.035 7.435 -10.077) 13.157 11.820 ( -6.770 -0.580 10.390) 12.414 12.240 ( 3.060 -3.360 -5.411) 7.066 12.395 ( 4.253 -0.696 -1.297) 4.501 12.430 ( 4.216 1.418 1.592) 4.725 13.115 ( -13.807 -8.988 7.939) 18.288 13.399 ( 0.177 -2.953 5.200) 5.983 15.045 ( -4.188 7.879 -0.597) 8.943 15.371 ( 4.192 -3.508 -13.141) 14.232 15.920 ( -0.942 1.876 1.199) 2.417 15.936 ( -0.146 1.916 0.381) 1.959 16.910 ( -4.144 -2.067 2.285) 5.164 17.043 ( -1.240 -2.233 5.279) 5.865 17.073 ( -3.839 3.508 -1.033) 5.302 17.220 ( 4.945 -1.227 -1.677) 5.364 17.319 ( -0.405 1.052 1.587) 1.947 17.389 ( 2.320 2.416 -0.697) 3.422 17.569 ( -2.591 -2.441 1.826) 4.001 17.660 ( -2.174 1.921 -0.084) 2.902 17.848 ( 3.066 0.346 -1.529) 3.444 17.922 ( 4.612 -2.102 -2.185) 5.519 18.028 ( -2.332 -1.321 1.963) 3.323 18.115 ( -1.450 0.013 -1.787) 2.301 18.293 ( -2.078 -3.831 2.192) 4.878 18.419 ( 2.218 -2.267 -3.807) 4.955 18.633 ( -0.305 -4.944 2.846) 5.713 18.756 ( 2.609 -5.538 -2.681) 6.683 20.724 ( -1.199 -1.481 -0.130) 1.910 20.749 ( 0.400 -2.876 1.005) 3.072 20.863 ( -1.917 -0.372 1.084) 2.234 20.935 ( -1.618 -1.582 -2.399) 3.297 21.490 ( -1.310 1.146 1.653) 2.400 21.517 ( -0.162 0.549 0.757) 0.949 21.548 ( 0.042 1.810 -1.017) 2.076 21.565 ( 0.011 1.485 -1.406) 2.045 27.218 ( -2.170 0.188 0.755) 2.306 27.270 ( 0.443 0.022 -0.764) 0.883 27.276 ( 0.817 -0.064 0.343) 0.889 27.339 ( 1.365 -0.842 -0.834) 1.808 27.602 ( -0.036 0.707 0.372) 0.800 27.614 ( 0.229 0.930 -0.158) 0.971 27.683 ( -0.579 1.038 0.862) 1.468 27.693 ( -0.609 1.363 -0.102) 1.497 35.034 ( 1.253 0.869 1.072) 1.864 35.294 ( 13.403 1.166 -4.629) 14.228 35.502 ( -2.942 -3.389 3.346) 5.598 35.609 ( 1.928 1.211 1.420) 2.683 35.980 ( -1.865 -1.874 -2.415) 3.581 36.030 ( 0.272 1.438 -3.096) 3.424 36.437 ( -3.479 -5.226 7.536) 9.809 36.690 ( 3.222 3.403 -6.016) 7.626 39.323 ( -6.915 -1.812 9.943) 12.246 39.515 ( -5.618 -2.822 3.015) 6.972 39.891 ( 1.845 0.240 -9.313) 9.497 39.942 ( 3.675 -9.398 8.279) 13.053 40.114 ( -4.027 6.793 -3.465) 8.624 40.565 ( 13.158 4.759 -3.801) 14.499 41.035 ( -5.236 -5.760 7.235) 10.627 41.322 ( 2.855 4.029 -4.037) 6.378 ======================= Grid point 97 (48/80) ======================= q-point: (-0.60 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -24.148 5.514 -6.218) 25.539 1.990 ( -8.849 11.846 4.818) 15.551 2.208 ( 4.923 7.475 -13.568) 16.254 2.283 ( 7.393 5.300 5.727) 10.749 2.411 ( 8.426 13.134 -5.483) 16.540 2.607 ( 3.641 4.252 3.052) 6.376 2.694 ( -0.915 4.899 8.577) 9.920 2.937 ( 2.562 2.333 -5.978) 6.910 3.088 ( 4.948 4.672 1.599) 6.991 3.150 ( 5.826 5.304 -6.710) 10.349 3.340 ( 0.261 6.215 1.931) 6.513 3.418 ( -8.953 8.207 1.512) 12.239 3.544 ( -3.565 -3.751 -6.693) 8.460 3.713 ( -7.575 4.752 -4.494) 10.008 3.757 ( 3.496 1.482 -2.150) 4.364 3.872 ( -2.886 -3.825 8.665) 9.902 3.945 ( 0.332 -3.428 0.676) 3.510 3.993 ( -2.286 1.787 5.481) 6.201 4.153 ( -3.212 1.154 6.841) 7.645 4.244 ( -1.390 5.557 2.916) 6.427 4.277 ( 2.270 2.894 0.315) 3.692 4.360 ( 0.598 7.042 2.869) 7.627 4.450 ( -0.614 1.695 -3.908) 4.304 4.514 ( -0.594 -1.336 1.321) 1.970 4.638 ( 1.532 0.892 -3.807) 4.200 4.672 ( 3.919 1.373 0.308) 4.164 4.746 ( -2.760 -0.112 -6.135) 6.728 4.804 ( 1.584 -0.865 2.674) 3.226 4.926 ( 5.106 -4.042 0.620) 6.542 4.957 ( 5.621 -5.031 -4.654) 8.863 5.068 ( 4.848 3.160 2.626) 6.355 5.150 ( 4.154 0.655 -0.456) 4.230 5.234 ( 0.425 2.475 1.008) 2.706 5.302 ( 0.154 -2.914 5.689) 6.394 5.339 ( -5.168 -3.286 -1.875) 6.405 5.471 ( -0.764 4.398 3.104) 5.437 5.516 ( -4.767 -1.769 -1.164) 5.216 5.543 ( -2.954 1.917 -0.356) 3.540 5.613 ( -2.338 1.630 -4.119) 5.009 5.683 ( 3.538 -1.565 2.847) 4.804 5.788 ( -1.368 -0.849 -0.224) 1.626 5.857 ( 1.719 1.654 1.970) 3.094 6.010 ( 7.036 -4.372 2.624) 8.689 6.063 ( 2.586 -1.839 -1.511) 3.514 6.163 ( -0.700 -1.458 3.871) 4.195 6.215 ( 0.838 -0.674 3.624) 3.780 6.297 ( -0.817 1.195 -1.691) 2.226 6.377 ( -2.831 1.889 2.625) 4.298 6.464 ( -1.302 1.177 -3.009) 3.484 6.476 ( -7.621 -2.905 -2.888) 8.652 6.579 ( -2.621 1.749 3.143) 4.450 6.676 ( -1.852 -1.958 0.036) 2.696 6.701 ( -4.091 0.941 0.123) 4.200 6.804 ( -1.549 1.974 -2.968) 3.886 6.828 ( -0.170 -0.233 -0.763) 0.815 6.883 ( 1.789 -2.059 0.277) 2.742 6.932 ( 2.281 -0.256 -2.540) 3.423 6.982 ( 2.025 1.166 1.354) 2.701 7.042 ( -5.366 1.111 0.151) 5.481 7.070 ( -0.596 0.067 3.378) 3.431 7.169 ( 1.371 1.307 2.550) 3.177 7.219 ( 4.467 3.757 1.233) 5.966 7.266 ( 2.755 -1.462 -2.042) 3.728 7.328 ( 4.048 0.961 -0.015) 4.160 7.384 ( 2.189 0.230 1.114) 2.466 7.459 ( -1.811 -1.843 0.789) 2.701 7.533 ( 3.990 -0.126 -0.377) 4.010 7.562 ( -7.249 -3.572 -1.445) 8.209 7.629 ( -5.205 -3.146 -1.389) 6.239 7.730 ( -1.823 0.691 2.181) 2.925 7.742 ( -4.007 5.061 -2.834) 7.050 7.814 ( 2.527 -2.019 -1.531) 3.579 7.883 ( 0.103 -0.900 -2.527) 2.684 8.011 ( 1.410 2.820 4.111) 5.181 8.055 ( 5.965 3.429 -0.406) 6.893 8.111 ( -0.059 -3.137 -10.569) 11.025 8.167 ( 0.527 -0.471 1.161) 1.359 8.231 ( -0.312 -5.240 1.344) 5.418 8.315 ( -6.774 -5.615 -1.141) 8.872 8.390 ( 5.021 -0.461 1.923) 5.396 8.431 ( 1.574 -1.899 -4.876) 5.465 8.540 ( 2.000 1.938 0.206) 2.793 8.573 ( 3.285 2.066 3.706) 5.366 8.641 ( 3.395 0.185 2.355) 4.136 8.748 ( -9.394 1.901 -2.807) 9.987 8.866 ( -1.039 0.423 -2.003) 2.296 8.923 ( -1.767 0.542 2.851) 3.398 9.069 ( -1.002 0.260 0.267) 1.069 9.303 ( 0.699 1.479 -5.798) 6.024 9.365 ( -0.808 0.316 -4.204) 4.293 9.515 ( -1.648 -2.980 5.435) 6.414 9.869 ( 1.465 -6.043 -3.861) 7.319 9.941 ( 1.671 9.905 4.263) 10.912 10.179 ( 0.550 3.719 3.420) 5.082 10.412 ( -3.365 0.866 0.876) 3.583 10.630 ( 5.547 -2.629 -4.396) 7.551 10.992 ( -3.893 2.930 6.467) 8.097 11.302 ( 5.205 7.449 -8.820) 12.664 11.819 ( -4.655 -0.025 10.938) 11.888 12.236 ( 2.762 -2.756 -6.805) 7.844 12.422 ( 3.528 1.210 -2.481) 4.480 12.584 ( 5.814 -5.537 -2.022) 8.279 13.017 ( -8.501 -6.761 20.471) 23.174 13.440 ( -2.252 -2.809 5.757) 6.790 14.971 ( -0.494 9.575 -1.964) 9.787 15.277 ( 0.332 -0.930 -13.674) 13.710 15.921 ( 0.221 2.034 1.570) 2.579 15.957 ( -0.201 1.967 2.077) 2.868 16.881 ( -1.278 -0.822 2.645) 3.050 16.996 ( -2.531 2.922 -1.089) 4.016 17.068 ( -2.508 -1.969 6.677) 7.400 17.281 ( 2.158 -2.514 -1.575) 3.668 17.341 ( 1.733 1.102 0.800) 2.204 17.414 ( 1.331 1.646 -2.707) 3.436 17.535 ( -2.555 -1.033 2.274) 3.573 17.620 ( -0.897 2.225 -0.524) 2.455 17.898 ( 2.806 0.212 -0.392) 2.841 17.974 ( -1.122 -3.020 1.362) 3.498 18.016 ( 2.720 -1.338 -1.628) 3.440 18.058 ( -1.890 -0.024 -1.889) 2.672 18.303 ( -0.140 -4.392 4.235) 6.103 18.434 ( 2.719 -2.739 -2.638) 4.674 18.630 ( -2.322 -4.638 0.858) 5.257 18.747 ( 0.433 -5.656 -5.160) 7.668 20.702 ( -0.974 -0.732 0.319) 1.260 20.763 ( -0.065 -2.773 0.925) 2.924 20.819 ( -2.100 0.672 -1.098) 2.463 20.874 ( -2.074 -0.195 -1.954) 2.856 21.485 ( -0.923 1.060 1.669) 2.182 21.518 ( -0.451 0.623 0.555) 0.949 21.541 ( 0.388 1.917 -0.972) 2.184 21.554 ( 0.211 0.773 -1.361) 1.579 27.200 ( -0.682 0.444 1.242) 1.485 27.270 ( 0.743 0.023 -1.475) 1.651 27.297 ( 0.671 -0.366 0.673) 1.018 27.340 ( -0.392 -0.660 -0.553) 0.946 27.607 ( 0.049 0.656 0.501) 0.827 27.621 ( 0.553 0.638 0.042) 0.845 27.674 ( -1.010 1.136 0.478) 1.593 27.685 ( -0.067 1.313 0.076) 1.317 35.114 ( 3.336 0.550 3.978) 5.220 35.397 ( 0.770 -1.817 -3.565) 4.075 35.535 ( 4.073 -0.890 1.140) 4.323 35.686 ( 5.454 1.384 1.001) 5.715 35.876 ( -5.392 -1.322 -4.446) 7.113 35.996 ( 0.416 2.038 -4.505) 4.962 36.435 ( -4.122 -6.524 7.366) 10.669 36.700 ( 3.289 2.873 -5.332) 6.893 39.318 ( -4.145 0.205 10.363) 11.163 39.483 ( -2.464 -1.121 5.877) 6.470 39.804 ( -4.382 2.062 -7.930) 9.292 39.886 ( 0.910 -6.188 -7.628) 9.864 40.263 ( 6.701 -2.011 9.355) 11.682 40.673 ( 2.955 2.495 -5.500) 6.723 41.064 ( 1.272 -6.877 7.782) 10.463 41.345 ( 2.376 3.207 -2.535) 4.728 ======================= Grid point 98 (49/80) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -22.885 12.947 12.348) 29.048 1.689 ( -24.070 21.084 8.568) 33.126 2.176 ( 10.718 2.784 -17.319) 20.557 2.352 ( 3.944 9.764 -2.335) 10.786 2.575 ( -1.948 4.883 6.856) 8.640 2.633 ( -10.121 11.509 7.853) 17.221 2.834 ( 1.657 5.540 0.775) 5.834 2.958 ( 7.716 0.029 -1.312) 7.826 3.094 ( 3.165 2.672 -6.324) 7.559 3.256 ( -0.619 7.977 -12.541) 14.876 3.333 ( -0.326 7.288 -1.072) 7.374 3.391 ( 7.389 6.069 3.605) 10.219 3.471 ( 2.094 0.656 2.088) 3.029 3.491 ( -2.008 2.135 -2.611) 3.926 3.804 ( 1.109 -0.769 3.223) 3.494 3.852 ( -3.539 -3.893 -6.580) 8.424 4.000 ( -1.672 -3.904 5.538) 6.979 4.012 ( 0.583 -3.251 10.001) 10.532 4.153 ( -2.093 -0.442 3.617) 4.202 4.234 ( -5.145 5.648 5.475) 9.399 4.270 ( -2.013 4.971 -5.743) 7.858 4.310 ( -2.111 5.835 2.875) 6.839 4.420 ( -0.780 -0.359 1.908) 2.092 4.509 ( -4.009 -2.284 4.446) 6.408 4.624 ( -0.279 5.049 -6.084) 7.911 4.672 ( -0.153 -1.303 4.888) 5.061 4.714 ( 1.298 -0.790 -2.627) 3.035 4.811 ( -2.590 -2.111 -0.223) 3.349 4.960 ( 3.248 -3.836 -3.633) 6.202 5.030 ( -1.399 -4.553 -8.219) 9.500 5.080 ( 0.528 -0.586 -5.370) 5.428 5.221 ( 2.383 3.317 0.573) 4.124 5.284 ( 3.996 1.851 -2.172) 4.910 5.310 ( 1.635 -0.906 4.270) 4.661 5.428 ( 4.750 -2.452 2.651) 5.967 5.473 ( 2.738 2.655 7.219) 8.164 5.488 ( 2.210 0.776 0.872) 2.500 5.576 ( 4.010 1.460 -5.743) 7.155 5.629 ( 4.742 1.661 4.445) 6.708 5.686 ( -2.433 -2.565 -6.471) 7.374 5.780 ( 2.814 1.746 4.021) 5.209 5.966 ( 3.096 1.130 -2.539) 4.160 6.068 ( -4.712 -4.226 -1.732) 6.562 6.099 ( 1.485 -0.433 0.818) 1.750 6.185 ( -1.393 -0.735 2.628) 3.064 6.245 ( -1.800 -0.953 0.720) 2.160 6.263 ( 0.101 -1.925 1.918) 2.719 6.311 ( -0.230 -0.213 0.452) 0.550 6.392 ( 2.318 -0.478 -1.173) 2.641 6.457 ( 0.535 1.011 -3.114) 3.317 6.553 ( -3.327 2.067 1.923) 4.363 6.600 ( 0.143 3.230 4.399) 5.459 6.710 ( -5.146 0.527 -0.812) 5.236 6.745 ( 3.420 -2.169 1.573) 4.344 6.803 ( -0.580 5.764 -0.987) 5.876 6.857 ( -5.278 -5.366 -0.966) 7.589 6.933 ( 1.304 0.145 -1.001) 1.650 6.985 ( 2.509 -0.932 -2.391) 3.589 7.027 ( -0.655 1.339 4.026) 4.293 7.088 ( -2.259 -0.594 3.545) 4.246 7.224 ( 1.466 -1.984 1.585) 2.932 7.300 ( -0.628 0.073 1.758) 1.868 7.328 ( 1.353 0.440 0.134) 1.429 7.340 ( -3.098 -1.185 -2.879) 4.392 7.410 ( 0.303 3.370 -1.119) 3.564 7.417 ( -1.410 -0.804 2.167) 2.707 7.462 ( -0.297 -0.798 0.292) 0.900 7.544 ( -0.519 -1.809 1.949) 2.709 7.600 ( 0.721 6.022 -3.419) 6.962 7.679 ( 0.593 -1.639 -0.029) 1.743 7.711 ( -0.768 2.011 -0.380) 2.187 7.795 ( -5.590 -2.154 -1.074) 6.086 7.879 ( 2.922 -1.886 0.818) 3.573 7.960 ( -1.070 0.173 -7.399) 7.478 8.013 ( -4.312 3.656 -0.399) 5.667 8.133 ( 0.918 -5.966 0.816) 6.091 8.152 ( -3.469 -7.407 3.916) 9.068 8.194 ( -1.085 -3.531 2.817) 4.645 8.323 ( 2.944 -1.467 0.793) 3.383 8.360 ( -1.004 0.223 -5.537) 5.631 8.501 ( 1.407 1.933 1.368) 2.755 8.577 ( -1.926 3.719 -0.228) 4.195 8.587 ( 0.557 3.901 -4.436) 5.934 8.671 ( 4.170 1.111 0.565) 4.352 8.741 ( 0.610 -3.062 -0.811) 3.226 8.823 ( 5.336 -0.379 -2.013) 5.716 8.981 ( 2.197 1.110 6.093) 6.571 9.094 ( 1.616 1.374 1.488) 2.591 9.243 ( -0.020 4.551 -6.378) 7.836 9.310 ( 1.609 -2.416 -6.830) 7.421 9.573 ( -0.920 -1.881 8.214) 8.477 9.803 ( -2.050 -6.476 -6.582) 9.459 10.061 ( 4.061 9.367 7.830) 12.866 10.204 ( 0.801 1.484 -2.687) 3.173 10.328 ( -6.504 4.761 5.645) 9.840 10.671 ( 3.819 -5.873 -7.383) 10.178 10.969 ( -5.068 2.854 7.016) 9.114 11.335 ( 7.282 9.179 -9.049) 14.804 11.846 ( -4.323 0.059 10.926) 11.750 12.214 ( 3.051 -2.715 -8.043) 9.020 12.465 ( 1.204 -1.663 -0.747) 2.185 12.545 ( -2.228 -2.913 -7.068) 7.963 13.210 ( 0.921 -12.562 22.474) 25.763 13.432 ( -1.392 -3.395 2.835) 4.637 15.022 ( 6.641 10.463 0.010) 12.392 15.130 ( -0.449 2.660 -13.772) 14.034 15.947 ( -0.619 3.035 1.528) 3.454 15.966 ( 0.599 2.833 1.471) 3.248 16.909 ( 0.775 0.480 2.810) 2.954 16.970 ( 1.519 1.338 -1.177) 2.341 17.073 ( -4.186 -2.050 6.738) 8.193 17.279 ( 0.075 -2.157 -1.427) 2.587 17.347 ( -3.073 0.913 -0.689) 3.279 17.397 ( 0.698 1.541 -0.921) 1.926 17.548 ( 1.649 1.027 1.939) 2.744 17.638 ( 3.429 0.316 -1.325) 3.690 17.923 ( -3.385 -1.940 -0.766) 3.976 17.934 ( 0.086 -0.679 1.192) 1.375 17.995 ( -1.297 0.116 -0.870) 1.566 18.089 ( 4.190 -1.850 -2.138) 5.055 18.363 ( 0.948 -4.655 4.529) 6.564 18.456 ( 1.525 -4.336 -2.646) 5.303 18.572 ( -3.743 -3.988 0.898) 5.543 18.693 ( 0.154 -4.128 -3.992) 5.745 20.702 ( -0.441 -0.281 2.053) 2.118 20.752 ( 0.214 -0.506 -0.931) 1.081 20.801 ( 0.028 -0.111 1.004) 1.010 20.828 ( -0.890 -0.196 -0.944) 1.312 21.488 ( -0.458 0.831 1.580) 1.843 21.512 ( -0.676 0.647 0.597) 1.110 21.543 ( 0.546 1.191 -0.729) 1.499 21.551 ( 1.299 1.746 -1.555) 2.674 27.212 ( 0.293 0.305 1.410) 1.472 27.265 ( 0.570 0.040 -2.067) 2.145 27.309 ( -0.499 -0.520 0.826) 1.096 27.321 ( -0.888 -0.167 -0.242) 0.936 27.609 ( -0.347 0.702 0.436) 0.896 27.631 ( 0.459 0.716 -0.516) 0.995 27.667 ( -0.325 0.702 0.990) 1.256 27.688 ( 0.343 1.316 -0.084) 1.362 35.177 ( -2.790 -0.098 4.799) 5.552 35.359 ( 0.327 -3.377 -4.204) 5.403 35.553 ( -4.019 1.301 -1.217) 4.396 35.713 ( -5.876 -0.637 -2.633) 6.470 35.827 ( 7.418 -0.524 0.449) 7.450 35.979 ( 3.188 2.669 -4.740) 6.305 36.410 ( -7.131 -7.546 8.334) 13.313 36.715 ( 4.760 3.095 -6.571) 8.684 39.359 ( -3.446 1.582 10.951) 11.589 39.514 ( -1.602 -3.372 5.071) 6.297 39.688 ( 0.096 -0.360 -2.065) 2.098 39.849 ( 4.522 -1.397 -9.262) 10.401 40.417 ( -0.253 2.547 6.629) 7.106 40.643 ( 2.204 -5.643 -7.003) 9.260 41.153 ( -2.285 -6.851 5.730) 9.219 41.353 ( 2.873 1.051 -4.827) 5.715 ======================= Grid point 99 (50/80) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.504 16.592 27.044) 33.121 1.432 ( -14.379 22.156 21.476) 34.042 2.187 ( -22.513 29.849 30.347) 48.154 2.315 ( 10.419 0.005 -5.561) 11.810 2.502 ( -3.499 6.086 -2.338) 7.399 2.682 ( 8.843 -1.732 -7.389) 11.653 2.839 ( -1.804 4.799 -11.219) 12.335 2.914 ( 0.602 3.204 -1.876) 3.761 3.002 ( -0.154 12.938 -18.230) 22.355 3.156 ( 5.725 3.208 -8.520) 10.755 3.375 ( 5.150 5.701 1.847) 7.902 3.559 ( 1.969 -2.860 -2.497) 4.276 3.608 ( 0.661 0.461 1.916) 2.079 3.661 ( 14.853 3.834 3.739) 15.789 3.709 ( 2.269 -0.713 -2.578) 3.508 3.872 ( -0.322 -1.295 8.318) 8.425 4.014 ( -11.387 5.988 -1.123) 12.914 4.020 ( -0.070 -4.431 5.763) 7.270 4.094 ( -3.977 -0.210 8.379) 9.277 4.161 ( 0.027 -1.028 -0.056) 1.030 4.265 ( -3.623 7.106 5.182) 9.511 4.334 ( -3.822 2.204 4.956) 6.636 4.394 ( -2.043 0.091 -0.601) 2.132 4.473 ( -0.076 -0.059 1.791) 1.794 4.580 ( -1.151 4.821 -0.577) 4.990 4.671 ( -8.830 0.069 -2.873) 9.286 4.720 ( 0.414 4.451 -1.129) 4.611 4.744 ( 0.412 -3.391 5.659) 6.611 4.868 ( -2.552 -6.700 -4.160) 8.289 4.991 ( 3.107 1.337 -2.496) 4.204 5.078 ( 5.231 -5.364 -10.346) 12.774 5.166 ( -8.813 -1.681 -3.032) 9.470 5.287 ( 0.218 0.485 -2.583) 2.637 5.409 ( -1.360 2.600 3.212) 4.350 5.441 ( 5.602 -2.996 -4.392) 7.723 5.538 ( -0.030 -5.879 -1.176) 5.995 5.585 ( 1.726 -0.304 -6.618) 6.846 5.660 ( 7.256 1.563 1.464) 7.566 5.704 ( 6.619 -0.418 0.834) 6.685 5.740 ( 2.710 -0.869 0.147) 2.849 5.850 ( -2.334 1.668 -6.941) 7.511 5.891 ( 3.827 2.976 2.362) 5.393 5.963 ( 0.211 -0.016 -3.193) 3.200 6.055 ( -8.184 1.056 -3.737) 9.059 6.153 ( 1.544 -2.276 -0.028) 2.750 6.247 ( 1.694 2.062 2.671) 3.776 6.302 ( -1.174 3.946 4.706) 6.253 6.345 ( 1.957 0.703 1.379) 2.496 6.452 ( -1.370 -6.116 3.920) 7.393 6.487 ( 0.618 -1.571 1.881) 2.527 6.584 ( 5.017 4.871 -1.626) 7.179 6.620 ( 0.440 -3.992 4.322) 5.900 6.729 ( 1.274 0.886 2.589) 3.019 6.752 ( -1.927 0.599 2.272) 3.039 6.783 ( -0.546 0.759 -0.287) 0.978 6.824 ( 1.336 -0.113 2.064) 2.462 6.945 ( -0.196 -1.603 -0.966) 1.882 7.026 ( 1.341 0.220 1.004) 1.690 7.065 ( -0.414 5.008 2.521) 5.622 7.082 ( 2.254 -1.640 2.535) 3.768 7.158 ( -6.720 -0.437 -3.349) 7.521 7.218 ( -5.353 0.117 -2.958) 6.117 7.288 ( -1.295 -0.264 -0.067) 1.324 7.310 ( 1.206 -1.758 -1.773) 2.773 7.361 ( 1.495 -3.388 -2.149) 4.282 7.449 ( -2.340 3.179 -1.944) 4.400 7.497 ( 0.954 -0.061 2.115) 2.321 7.548 ( -2.990 1.807 1.684) 3.878 7.602 ( -0.994 0.470 3.999) 4.148 7.682 ( 1.513 2.908 -0.886) 3.396 7.703 ( -2.061 -0.006 3.924) 4.432 7.766 ( 3.370 -2.978 3.693) 5.819 7.880 ( -3.157 -3.230 0.499) 4.544 7.909 ( 0.315 1.138 -1.449) 1.870 7.983 ( 1.870 0.103 0.070) 1.874 8.082 ( -3.477 -3.501 2.306) 5.447 8.175 ( -5.319 -2.116 3.447) 6.682 8.239 ( -0.581 -5.359 1.515) 5.599 8.316 ( 5.154 -5.076 -2.687) 7.717 8.361 ( 1.787 2.264 -1.687) 3.341 8.480 ( -1.800 3.069 -3.614) 5.072 8.525 ( -0.725 -0.426 -2.208) 2.363 8.584 ( 0.417 -1.768 -1.459) 2.330 8.633 ( -1.356 -1.429 -2.866) 3.477 8.842 ( 6.994 0.073 0.144) 6.996 8.949 ( 5.925 1.446 -0.426) 6.114 9.093 ( 1.211 -1.074 3.672) 4.012 9.126 ( 1.994 1.971 1.386) 3.128 9.206 ( 2.489 2.339 -3.765) 5.083 9.307 ( 3.387 1.187 -3.251) 4.842 9.593 ( -4.021 -3.459 3.896) 6.581 9.717 ( -1.212 -4.618 -1.657) 5.053 10.101 ( -0.735 6.569 -5.083) 8.338 10.270 ( 5.863 6.766 1.977) 9.169 10.326 ( -1.457 0.296 7.567) 7.712 10.588 ( -4.604 -1.738 -8.323) 9.669 10.954 ( -4.567 2.630 8.489) 9.992 11.370 ( 6.362 11.072 -11.517) 17.197 11.864 ( -5.241 -0.684 10.657) 11.896 12.201 ( 4.277 -3.104 -8.003) 9.591 12.370 ( -5.557 -2.022 -3.097) 6.675 12.493 ( -0.450 1.055 -2.272) 2.545 13.302 ( -1.889 -7.136 3.794) 8.300 13.491 ( -2.015 -15.291 3.906) 15.911 15.047 ( 2.900 3.333 -4.568) 6.355 15.196 ( 12.143 8.096 -3.670) 15.049 15.925 ( -1.195 2.938 -0.448) 3.203 16.002 ( 0.811 3.447 0.381) 3.561 16.949 ( 1.583 -0.521 1.361) 2.151 17.033 ( 3.369 -0.000 1.542) 3.705 17.045 ( -3.611 -2.064 3.565) 5.478 17.244 ( -2.327 0.203 -2.434) 3.374 17.302 ( -0.864 0.540 1.694) 1.977 17.391 ( -0.769 2.768 -0.262) 2.884 17.605 ( 1.434 1.055 1.462) 2.304 17.679 ( 1.762 -2.309 -2.167) 3.624 17.857 ( -1.723 -0.251 -1.348) 2.202 17.910 ( -2.496 -0.943 -1.296) 2.967 17.997 ( 0.670 -0.379 2.604) 2.716 18.134 ( 2.917 -1.059 -2.600) 4.048 18.375 ( -1.674 -3.586 -0.766) 4.031 18.431 ( 0.702 -4.338 -4.415) 6.229 18.556 ( -1.284 -4.642 5.879) 7.600 18.705 ( 2.179 -3.551 -0.641) 4.215 20.709 ( 0.063 -1.900 0.955) 2.127 20.768 ( -0.692 -1.631 0.276) 1.793 20.837 ( 0.680 -0.757 1.921) 2.174 20.852 ( 5.450 0.178 2.065) 5.831 21.497 ( -0.162 0.732 1.408) 1.595 21.506 ( -0.783 0.575 0.937) 1.350 21.546 ( 0.540 0.886 -0.522) 1.162 21.572 ( 2.537 2.955 -2.191) 4.468 27.233 ( 0.557 0.105 0.881) 1.047 27.259 ( 1.216 0.286 -1.289) 1.794 27.291 ( -1.415 -0.478 0.134) 1.500 27.307 ( -1.093 0.288 0.422) 1.207 27.604 ( -0.422 0.797 0.237) 0.933 27.626 ( -0.152 1.009 -0.700) 1.238 27.678 ( 0.208 0.311 0.772) 0.858 27.695 ( 0.319 1.425 0.169) 1.470 35.108 ( -5.152 -1.224 -0.196) 5.299 35.237 ( -8.941 3.305 -5.025) 10.775 35.464 ( -1.799 -2.632 3.433) 4.685 35.638 ( -2.979 0.613 1.191) 3.266 35.947 ( 4.610 -2.102 0.160) 5.070 36.011 ( 3.418 1.928 -2.904) 4.882 36.366 ( -5.188 -5.265 8.930) 11.592 36.736 ( 4.121 3.061 -7.448) 9.046 39.375 ( -5.278 -0.228 9.052) 10.481 39.545 ( 1.095 -3.465 5.247) 6.382 39.691 ( 1.193 -7.308 -4.465) 8.646 39.971 ( 13.346 6.085 -0.031) 14.668 40.369 ( -5.293 -2.711 -4.757) 7.615 40.567 ( -6.805 -0.050 -7.327) 9.999 41.069 ( -7.223 -4.991 3.811) 9.571 41.366 ( 2.400 0.546 -4.824) 5.416 ======================= Grid point 100 (51/80) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.329 25.003 19.679) 31.821 1.943 ( -2.979 16.097 20.612) 26.322 2.389 ( -7.074 5.480 5.055) 10.277 2.499 ( 5.022 4.509 -4.848) 8.310 2.620 ( 5.761 3.351 -16.466) 17.763 2.806 ( 5.992 8.586 -14.852) 18.171 3.028 ( -1.391 5.250 4.773) 7.230 3.119 ( -8.480 18.219 0.314) 20.098 3.167 ( 4.891 11.350 7.629) 14.524 3.270 ( -1.785 2.110 -5.482) 6.139 3.394 ( 7.763 10.648 -2.766) 13.465 3.568 ( -4.754 -1.757 2.272) 5.555 3.710 ( -0.549 10.573 3.671) 11.206 3.783 ( -5.169 -2.925 1.028) 6.027 3.824 ( 2.784 5.565 -1.585) 6.421 3.890 ( -1.613 -2.205 -1.448) 3.092 4.026 ( 9.040 2.343 2.884) 9.774 4.081 ( -1.993 2.922 9.450) 10.090 4.100 ( 4.410 0.522 7.596) 8.799 4.230 ( -1.224 -0.613 2.895) 3.203 4.275 ( -5.097 -0.183 0.670) 5.144 4.365 ( 1.454 1.929 7.759) 8.126 4.413 ( -3.830 6.644 -3.283) 8.341 4.515 ( -0.081 1.453 -0.126) 1.460 4.529 ( -3.019 1.926 -2.161) 4.182 4.673 ( 0.581 3.342 -5.044) 6.079 4.710 ( -0.937 -2.235 -0.077) 2.425 4.799 ( -1.410 2.330 -1.690) 3.205 4.820 ( 1.253 2.809 0.041) 3.076 4.939 ( 2.461 -3.125 -8.048) 8.977 5.015 ( 4.393 -2.928 -0.026) 5.280 5.041 ( 6.173 -3.724 2.884) 7.764 5.236 ( -2.208 2.467 -4.316) 5.440 5.328 ( -5.109 -0.061 -2.026) 5.496 5.384 ( -5.606 0.484 -3.566) 6.662 5.454 ( 3.734 -3.550 1.864) 5.479 5.625 ( 4.671 -0.680 3.580) 5.924 5.646 ( -6.429 1.853 -0.073) 6.691 5.695 ( -1.232 2.718 -10.038) 10.472 5.805 ( -2.930 2.574 -2.046) 4.404 5.825 ( 0.268 1.578 0.573) 1.700 5.928 ( -6.891 -3.522 0.441) 7.752 5.963 ( 4.182 -4.936 -5.217) 8.310 5.980 ( 4.236 1.425 -4.662) 6.458 6.137 ( 4.102 -7.287 4.187) 9.352 6.198 ( -1.941 -6.897 1.418) 7.304 6.296 ( -2.728 -6.232 3.710) 7.749 6.384 ( 0.595 1.386 0.357) 1.550 6.404 ( -5.052 4.380 5.508) 8.663 6.576 ( 3.454 -2.449 0.515) 4.265 6.624 ( 0.639 -2.830 2.724) 3.980 6.665 ( 0.990 6.785 -2.108) 7.173 6.728 ( 1.894 -1.670 -0.849) 2.664 6.771 ( -2.465 0.596 -4.888) 5.507 6.851 ( 2.838 4.242 -2.447) 5.660 6.893 ( 3.137 -5.398 2.476) 6.716 6.912 ( -0.876 2.065 -0.358) 2.271 6.970 ( -6.381 -2.035 -1.410) 6.845 7.008 ( 3.365 2.470 4.225) 5.939 7.121 ( -2.100 -1.411 2.417) 3.499 7.192 ( -0.973 0.153 0.514) 1.111 7.246 ( 1.071 1.924 2.849) 3.601 7.259 ( 1.245 1.256 0.803) 1.942 7.315 ( 0.946 4.521 3.632) 5.876 7.364 ( 3.823 -0.402 -1.303) 4.059 7.423 ( -5.582 -0.561 2.515) 6.148 7.506 ( -1.818 2.447 -1.988) 3.639 7.580 ( 5.900 1.668 -4.554) 7.638 7.622 ( -3.976 3.216 3.970) 6.474 7.688 ( -0.906 -1.991 0.435) 2.230 7.736 ( -3.714 -2.545 4.003) 6.025 7.799 ( 2.943 -2.871 -1.728) 4.460 7.865 ( 4.346 -0.463 2.623) 5.097 7.928 ( -2.563 -0.648 3.736) 4.577 7.988 ( 2.889 1.112 2.155) 3.772 8.003 ( 1.996 -2.960 2.963) 4.640 8.136 ( -0.230 2.051 2.011) 2.881 8.190 ( 2.972 -7.919 -3.622) 9.201 8.225 ( 1.771 -0.891 -0.946) 2.197 8.351 ( -1.086 -0.369 -1.245) 1.693 8.431 ( -2.450 -5.908 0.723) 6.436 8.474 ( -3.622 5.100 -4.131) 7.496 8.536 ( 3.714 0.283 -3.300) 4.976 8.603 ( -1.035 -0.649 -3.856) 4.045 8.896 ( -1.612 -2.967 -0.365) 3.396 8.955 ( 0.186 -0.409 -2.122) 2.169 9.095 ( -0.218 1.092 1.865) 2.172 9.222 ( 2.364 0.290 -4.389) 4.994 9.305 ( 0.302 1.982 -0.393) 2.043 9.345 ( 1.117 1.998 -3.261) 3.984 9.551 ( 4.926 -0.395 6.478) 8.148 9.675 ( -2.487 -0.251 1.084) 2.725 10.215 ( 1.321 3.711 -0.017) 3.939 10.270 ( -4.419 4.025 -3.261) 6.809 10.376 ( -2.516 0.023 4.005) 4.729 10.551 ( 2.508 -0.025 -2.970) 3.887 11.045 ( -4.549 5.796 10.620) 12.925 11.513 ( 1.902 5.197 -10.593) 11.951 11.818 ( -3.400 -1.808 4.276) 5.754 12.124 ( 5.149 -5.558 -7.371) 10.570 12.319 ( -2.132 2.850 3.737) 5.161 12.531 ( 2.522 4.801 -5.958) 8.056 13.040 ( -9.717 -12.602 7.354) 17.530 13.250 ( 2.297 -7.485 -2.700) 8.282 15.166 ( 3.133 3.312 0.528) 4.589 15.356 ( 4.305 0.838 -8.872) 9.897 15.952 ( -1.093 1.556 1.002) 2.149 16.026 ( -1.285 1.551 -2.975) 3.592 16.931 ( -3.921 -1.126 3.195) 5.182 16.982 ( -0.641 -0.582 2.121) 2.291 17.110 ( 2.591 -0.252 1.111) 2.830 17.201 ( -0.355 0.572 -2.721) 2.803 17.345 ( -0.061 1.154 2.474) 2.731 17.426 ( 0.346 1.576 -1.341) 2.098 17.532 ( -4.002 -3.411 2.705) 5.913 17.654 ( 1.970 -3.235 -2.450) 4.511 17.842 ( 0.129 0.690 -0.009) 0.702 17.886 ( -0.159 0.868 -1.037) 1.362 17.989 ( -1.279 -2.893 2.986) 4.350 18.113 ( 1.598 -2.947 -3.212) 4.643 18.268 ( -2.817 -1.851 1.159) 3.564 18.365 ( 3.108 -2.249 -2.889) 4.802 18.484 ( -0.363 -5.517 4.427) 7.083 18.617 ( 1.123 -5.683 -2.305) 6.234 20.686 ( -0.008 -1.241 0.927) 1.548 20.713 ( -0.749 -1.607 -0.442) 1.827 20.838 ( 0.165 -1.634 1.597) 2.291 20.890 ( 1.682 -3.016 -0.498) 3.489 21.520 ( -0.693 0.984 1.660) 2.050 21.525 ( -0.487 1.020 1.308) 1.729 21.573 ( 0.471 1.140 -0.525) 1.341 21.625 ( 0.865 1.137 -2.851) 3.189 27.244 ( -0.462 -0.122 0.543) 0.723 27.257 ( -0.502 -0.119 0.136) 0.534 27.283 ( 0.212 0.236 0.008) 0.317 27.307 ( 0.763 0.115 -0.682) 1.030 27.625 ( -0.353 1.454 0.443) 1.561 27.644 ( -0.160 1.633 -0.496) 1.714 27.700 ( -0.082 0.738 1.130) 1.352 27.727 ( 0.044 1.067 -0.199) 1.086 35.108 ( -5.966 2.054 -0.146) 6.311 35.138 ( 6.446 1.938 -1.110) 6.822 35.465 ( -0.349 -1.375 4.249) 4.480 35.584 ( -1.007 -1.085 -0.787) 1.676 35.959 ( -0.468 -0.912 2.794) 2.976 36.067 ( 2.308 0.951 -3.295) 4.134 36.354 ( -2.297 -0.310 8.412) 8.726 36.716 ( 3.868 -2.804 -9.708) 10.819 39.326 ( -5.062 -0.487 6.264) 8.068 39.488 ( -2.517 -3.702 2.817) 5.290 39.607 ( 2.513 -5.154 4.055) 7.024 39.968 ( -3.024 -10.889 -10.615) 15.504 40.375 ( 8.151 7.793 3.576) 11.830 40.577 ( -5.054 13.833 -6.145) 15.958 40.974 ( -3.838 -3.966 9.981) 11.405 41.337 ( 3.713 -2.258 -8.404) 9.461 ======================= Grid point 101 (52/80) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -5.091 6.411 12.649) 15.067 2.179 ( 6.973 14.524 18.564) 24.580 2.275 ( -3.341 9.171 -4.108) 10.590 2.515 ( 2.816 6.975 -9.999) 12.513 2.648 ( 10.128 8.982 -10.099) 16.889 2.816 ( 5.443 10.608 -10.105) 15.629 2.876 ( -11.345 15.138 2.329) 19.060 3.039 ( -1.811 3.141 2.519) 4.415 3.204 ( 1.658 -0.744 -4.611) 4.956 3.264 ( -1.571 8.411 0.374) 8.565 3.394 ( -9.272 7.704 -0.920) 12.090 3.587 ( 2.012 -1.877 6.910) 7.438 3.646 ( -3.668 2.397 1.603) 4.665 3.779 ( -2.872 3.215 -0.578) 4.350 3.819 ( 0.703 2.669 2.104) 3.471 3.926 ( -2.211 8.101 1.136) 8.474 4.004 ( -1.685 5.291 6.312) 8.406 4.081 ( -5.919 4.079 -0.084) 7.189 4.181 ( -3.635 -0.106 2.024) 4.162 4.264 ( 3.094 -3.354 -2.630) 5.266 4.327 ( 7.372 8.547 4.884) 12.298 4.389 ( 2.386 2.534 -2.135) 4.083 4.452 ( 1.287 3.226 -2.734) 4.420 4.496 ( 5.077 0.118 6.560) 8.296 4.602 ( 3.786 2.101 -1.452) 4.567 4.687 ( 5.563 1.761 -2.612) 6.393 4.710 ( 0.457 -2.485 2.411) 3.493 4.736 ( -0.512 -0.737 1.343) 1.615 4.826 ( 0.648 2.677 -4.410) 5.200 4.917 ( 0.905 -0.683 -5.562) 5.676 5.067 ( -0.656 -4.183 -1.918) 4.648 5.138 ( 4.148 0.604 -11.047) 11.815 5.204 ( 1.606 0.272 1.570) 2.262 5.264 ( 3.330 5.034 8.537) 10.455 5.371 ( 1.509 -2.474 2.707) 3.966 5.467 ( -8.668 -1.300 -2.806) 9.203 5.526 ( -0.960 2.100 -0.985) 2.510 5.664 ( 1.476 2.776 4.275) 5.307 5.677 ( -5.357 0.817 -0.980) 5.507 5.725 ( 0.676 -3.103 -0.868) 3.292 5.785 ( -4.873 0.888 -0.444) 4.973 5.879 ( 3.364 0.881 0.172) 3.482 5.907 ( -5.928 -0.979 -0.459) 6.026 6.050 ( 0.997 -1.483 -2.180) 2.819 6.069 ( 2.370 -7.349 -0.493) 7.738 6.218 ( -6.070 -2.794 2.935) 7.299 6.308 ( 0.790 -3.598 1.211) 3.878 6.326 ( -4.475 3.257 5.752) 7.982 6.474 ( 2.506 1.659 1.978) 3.598 6.539 ( -3.200 -5.913 -2.124) 7.051 6.662 ( 0.704 -5.209 -5.528) 7.628 6.696 ( 2.585 6.616 3.471) 7.905 6.719 ( -1.048 2.822 -2.535) 3.936 6.739 ( 0.405 -1.857 -1.139) 2.216 6.810 ( -1.823 -3.437 -0.024) 3.890 6.881 ( 0.879 -1.377 -1.602) 2.288 6.927 ( -0.113 0.354 1.267) 1.321 6.979 ( 1.819 1.307 0.075) 2.241 7.070 ( 0.044 0.308 0.823) 0.880 7.125 ( 2.962 1.979 0.180) 3.567 7.195 ( -1.915 1.905 6.009) 6.588 7.260 ( -0.095 1.896 1.038) 2.164 7.295 ( 1.411 0.176 -3.038) 3.354 7.332 ( -2.150 3.246 -1.357) 4.123 7.333 ( -2.276 1.810 -0.556) 2.961 7.437 ( 3.408 1.855 0.787) 3.959 7.466 ( -1.307 -0.805 1.426) 2.096 7.572 ( -5.031 -4.653 1.809) 7.088 7.605 ( -0.944 -3.096 -0.659) 3.304 7.699 ( -1.174 -1.100 2.122) 2.663 7.753 ( 6.483 0.580 -2.600) 7.009 7.855 ( -1.166 2.502 -1.397) 3.093 7.894 ( 4.020 -2.749 -1.656) 5.144 7.972 ( 1.971 -0.499 3.314) 3.888 8.051 ( 1.614 -1.459 5.435) 5.854 8.094 ( 4.917 -2.014 -4.694) 7.090 8.147 ( -0.942 0.031 -0.305) 0.991 8.179 ( -2.121 1.280 -5.008) 5.587 8.253 ( 3.261 -3.549 -0.235) 4.825 8.312 ( 2.299 3.981 0.625) 4.639 8.407 ( -1.800 -3.893 2.255) 4.846 8.456 ( 2.284 -1.632 -1.464) 3.166 8.569 ( 2.551 -0.534 -3.002) 3.976 8.643 ( 5.917 0.639 1.371) 6.108 8.756 ( -6.940 -1.655 -0.436) 7.148 8.948 ( -1.450 -0.591 -1.069) 1.896 9.041 ( -5.643 2.630 0.040) 6.225 9.170 ( -4.689 -0.729 -1.164) 4.886 9.317 ( -0.547 0.878 -3.021) 3.193 9.376 ( 6.101 2.669 -0.974) 6.730 9.561 ( -4.573 0.382 -2.710) 5.329 9.724 ( 3.323 -2.617 3.023) 5.199 10.157 ( -4.240 8.181 0.756) 9.245 10.235 ( -0.062 4.062 1.119) 4.213 10.374 ( -1.485 -2.743 3.290) 4.533 10.582 ( 3.460 -0.384 -3.388) 4.857 11.072 ( -4.293 6.035 11.306) 13.516 11.451 ( 2.901 5.118 -9.886) 11.504 11.795 ( -3.630 -1.634 5.414) 6.720 12.152 ( 5.010 -5.860 -7.233) 10.571 12.357 ( 0.981 -0.228 5.041) 5.141 12.519 ( 2.812 5.754 -5.812) 8.648 12.912 ( -10.832 -10.219 9.356) 17.587 13.293 ( 2.830 -7.566 -0.146) 8.079 15.191 ( 0.013 5.574 -2.641) 6.169 15.321 ( 1.788 -0.926 -8.072) 8.319 15.955 ( -0.663 1.173 2.715) 3.031 15.983 ( -0.478 2.516 -0.839) 2.695 16.888 ( -3.186 -0.062 2.841) 4.269 16.997 ( -1.916 -2.010 5.070) 5.781 17.130 ( -1.512 1.961 -1.483) 2.886 17.198 ( 3.329 -0.665 -1.809) 3.847 17.341 ( -1.206 0.929 1.010) 1.827 17.426 ( 1.044 1.015 -0.686) 1.610 17.515 ( -1.633 -2.740 2.426) 4.007 17.661 ( 0.366 -2.578 -0.802) 2.725 17.860 ( 1.695 1.301 0.027) 2.137 17.892 ( 2.135 -0.936 -1.064) 2.562 17.980 ( -2.362 -3.025 2.189) 4.419 18.093 ( -0.504 -2.776 -2.674) 3.887 18.226 ( -3.010 -1.546 2.292) 4.087 18.383 ( 2.134 -1.107 -3.458) 4.211 18.514 ( -0.517 -6.102 3.124) 6.875 18.627 ( 2.109 -6.514 -2.828) 7.408 20.696 ( -0.456 -1.134 0.075) 1.225 20.699 ( 0.081 -1.673 0.878) 1.891 20.844 ( -0.786 -1.438 0.402) 1.688 20.889 ( -0.379 -2.720 -1.714) 3.238 21.518 ( -1.279 1.473 1.884) 2.712 21.531 ( -0.225 0.752 0.934) 1.220 21.574 ( 0.354 1.076 -0.784) 1.378 21.601 ( -0.345 1.432 -2.195) 2.643 27.225 ( -1.502 0.478 0.762) 1.751 27.266 ( 0.608 -0.285 0.013) 0.672 27.280 ( 0.107 0.321 -0.276) 0.437 27.322 ( 0.860 -0.764 -0.458) 1.238 27.623 ( -0.299 1.341 0.545) 1.478 27.639 ( -0.116 1.470 0.049) 1.476 27.706 ( -0.334 1.017 0.788) 1.329 27.720 ( -0.330 1.162 -0.436) 1.285 35.063 ( 0.815 2.087 1.047) 2.473 35.317 ( 12.646 0.205 -2.490) 12.891 35.440 ( -4.726 -1.796 2.262) 5.538 35.618 ( 3.666 -0.417 0.311) 3.702 35.949 ( -2.624 -0.763 0.463) 2.772 36.062 ( 0.780 1.198 -3.316) 3.611 36.366 ( -5.232 -1.658 8.135) 9.813 36.700 ( 4.537 -2.214 -8.961) 10.285 39.307 ( -4.055 0.373 7.722) 8.730 39.462 ( -2.349 -2.248 2.458) 4.076 39.711 ( 1.739 -9.125 5.811) 10.957 39.819 ( -1.865 -8.238 -8.016) 11.644 40.364 ( -3.326 14.462 -3.347) 15.212 40.664 ( 11.087 5.832 -0.270) 12.530 40.947 ( -7.790 -3.517 7.851) 11.606 41.338 ( 4.294 -2.369 -6.839) 8.416 ======================= Grid point 102 (53/80) ======================= q-point: (-0.60 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -15.313 6.061 4.663) 17.116 2.121 ( -4.201 5.716 -5.165) 8.775 2.375 ( 6.115 6.258 -2.891) 9.215 2.523 ( -4.114 15.019 -3.151) 15.888 2.700 ( 6.369 10.507 -5.359) 13.404 2.828 ( 4.022 8.915 0.062) 9.780 2.866 ( 3.927 20.914 12.016) 24.438 3.014 ( -0.514 5.145 -1.962) 5.531 3.175 ( -0.191 1.869 -4.470) 4.849 3.253 ( 0.016 3.687 8.183) 8.975 3.350 ( 2.502 -0.838 -0.646) 2.716 3.557 ( -2.419 4.142 -1.866) 5.147 3.652 ( 0.844 9.287 -4.644) 10.417 3.723 ( -3.020 -0.798 2.378) 3.926 3.826 ( 1.378 0.124 -2.096) 2.511 3.843 ( -4.674 3.520 1.594) 6.065 3.926 ( -5.314 4.556 -1.650) 7.192 4.014 ( -5.508 -0.353 -1.047) 5.618 4.178 ( -3.766 -0.070 7.452) 8.350 4.292 ( 2.003 -0.681 -0.574) 2.192 4.339 ( 0.033 3.549 -2.940) 4.608 4.415 ( -1.748 -0.027 -4.400) 4.734 4.489 ( 0.318 1.268 3.750) 3.971 4.608 ( 0.894 -1.736 -0.335) 1.982 4.632 ( -1.512 4.871 -1.741) 5.389 4.708 ( -1.852 0.909 3.714) 4.249 4.743 ( -0.497 1.039 -1.705) 2.057 4.801 ( 3.480 0.535 -3.625) 5.053 4.818 ( -0.296 -1.857 -3.948) 4.373 4.941 ( 10.040 3.631 0.434) 10.685 5.103 ( 3.079 -1.474 3.059) 4.583 5.166 ( 9.335 2.667 -5.995) 11.411 5.255 ( 1.198 -0.252 3.127) 3.358 5.274 ( -3.334 -2.632 0.738) 4.311 5.304 ( -0.559 3.006 0.294) 3.072 5.491 ( -4.944 1.158 3.839) 6.366 5.548 ( -0.184 2.680 6.649) 7.171 5.587 ( 1.730 -1.007 0.949) 2.216 5.643 ( -0.956 2.575 -0.491) 2.790 5.708 ( 0.392 3.187 -1.450) 3.523 5.766 ( -2.611 0.090 -2.008) 3.295 5.860 ( 1.563 -2.588 1.291) 3.288 5.981 ( 5.004 2.908 3.522) 6.775 6.004 ( 0.090 -3.318 0.083) 3.321 6.154 ( 0.624 -0.830 -0.402) 1.114 6.188 ( -0.376 -0.732 6.982) 7.030 6.290 ( -2.545 -1.074 0.502) 2.807 6.347 ( 1.669 -4.581 3.546) 6.029 6.397 ( -7.862 -3.099 -2.447) 8.798 6.544 ( 4.450 5.418 -1.256) 7.123 6.594 ( 0.061 -5.010 -5.065) 7.125 6.612 ( -6.584 -0.997 -3.293) 7.429 6.726 ( -2.360 -1.255 -0.461) 2.712 6.748 ( -0.207 -0.880 2.809) 2.951 6.835 ( 2.420 -0.144 2.168) 3.252 6.882 ( -1.683 -0.713 -5.420) 5.720 6.954 ( 3.387 3.118 0.361) 4.618 7.023 ( 2.067 -0.093 0.479) 2.124 7.060 ( -5.234 0.965 4.635) 7.058 7.130 ( -1.115 5.547 0.673) 5.697 7.195 ( -1.308 1.232 2.415) 3.010 7.257 ( 2.215 -0.671 -2.597) 3.478 7.292 ( 2.487 4.182 -2.177) 5.330 7.323 ( 2.815 -0.763 -0.140) 2.920 7.350 ( -0.387 -3.020 0.717) 3.128 7.432 ( -1.450 -0.939 -4.246) 4.584 7.501 ( -3.837 -1.933 1.097) 4.434 7.510 ( 2.548 -0.618 0.935) 2.784 7.562 ( -0.305 -1.366 1.215) 1.854 7.716 ( 0.283 -0.855 2.887) 3.024 7.772 ( -4.143 -2.964 1.062) 5.204 7.822 ( 2.915 0.952 -3.008) 4.296 7.960 ( 2.533 4.630 -9.657) 11.005 7.977 ( 0.181 -4.228 -3.852) 5.722 8.048 ( -2.706 -5.692 -4.693) 7.858 8.093 ( -1.689 3.793 0.110) 4.153 8.133 ( -1.771 -5.454 3.400) 6.667 8.140 ( 0.800 -4.230 0.280) 4.314 8.263 ( -3.229 2.729 -2.039) 4.694 8.382 ( 3.260 -2.657 -1.693) 4.533 8.437 ( 7.330 3.006 3.580) 8.694 8.549 ( 5.362 -0.195 4.062) 6.730 8.609 ( -4.385 2.046 0.293) 4.847 8.662 ( 6.893 2.730 0.830) 7.460 8.756 ( -2.507 -0.573 0.063) 2.572 8.865 ( -7.600 -1.092 -2.565) 8.095 8.958 ( 1.698 3.350 1.193) 3.941 9.098 ( -1.127 1.657 0.763) 2.145 9.270 ( -0.796 -0.566 -2.465) 2.652 9.438 ( -2.597 -0.011 -7.202) 7.656 9.479 ( 3.607 2.706 3.116) 5.481 9.760 ( -0.796 -3.805 -0.944) 4.001 10.152 ( 1.264 9.631 3.463) 10.312 10.238 ( -1.543 2.104 2.183) 3.402 10.383 ( -0.397 -3.439 2.118) 4.059 10.588 ( 1.013 -1.816 -4.144) 4.637 11.090 ( -5.829 6.294 10.624) 13.655 11.437 ( 5.233 4.994 -7.943) 10.743 11.798 ( -2.521 -1.981 6.830) 7.545 12.157 ( 3.187 -5.515 -7.555) 9.882 12.419 ( 2.306 -1.821 -0.224) 2.947 12.532 ( 3.415 2.657 -4.711) 6.397 12.865 ( -6.788 -7.732 16.875) 19.764 13.328 ( 0.688 -8.266 -0.506) 8.310 15.157 ( 2.261 7.650 -5.220) 9.533 15.267 ( -0.318 0.148 -6.351) 6.361 15.976 ( -0.104 1.980 3.210) 3.773 15.995 ( 0.861 2.497 1.417) 2.998 16.881 ( -0.903 0.722 3.852) 4.022 17.002 ( -3.818 -2.188 6.230) 7.627 17.076 ( -1.090 2.759 -1.978) 3.565 17.237 ( 1.993 -1.698 -2.260) 3.459 17.354 ( 2.021 -0.004 0.048) 2.022 17.425 ( -0.531 -0.732 -2.295) 2.467 17.511 ( -0.777 -1.176 3.268) 3.559 17.644 ( -1.606 -0.688 0.075) 1.749 17.904 ( 2.151 0.544 0.421) 2.258 17.927 ( -0.005 -1.306 0.567) 1.423 17.968 ( 2.080 -3.201 -0.296) 3.828 18.042 ( -2.258 -1.932 -2.107) 3.643 18.216 ( -0.646 -2.668 3.279) 4.277 18.385 ( 1.586 -1.818 -3.257) 4.053 18.517 ( -2.033 -5.869 1.943) 6.508 18.619 ( 0.815 -6.292 -4.210) 7.614 20.691 ( -0.213 -0.373 0.592) 0.731 20.714 ( 0.131 -1.927 1.123) 2.234 20.820 ( -0.942 -0.528 -1.203) 1.617 20.853 ( -1.201 -1.726 -2.087) 2.963 21.512 ( -1.229 1.476 1.832) 2.655 21.532 ( -0.515 0.770 0.801) 1.225 21.572 ( 0.433 0.974 -1.325) 1.700 21.579 ( 0.321 1.618 -1.480) 2.216 27.213 ( -0.662 0.790 1.138) 1.536 27.270 ( 0.581 0.005 -1.162) 1.299 27.289 ( 0.369 -0.411 0.644) 0.848 27.324 ( -0.122 -0.806 -0.376) 0.898 27.626 ( -0.061 1.193 0.691) 1.380 27.640 ( 0.023 1.168 0.402) 1.235 27.700 ( -0.938 1.195 0.363) 1.562 27.713 ( 0.202 1.296 -0.432) 1.381 35.136 ( 3.682 1.680 2.932) 4.997 35.356 ( -5.046 -2.054 0.272) 5.454 35.520 ( 10.137 -0.455 -2.242) 10.392 35.687 ( 3.501 -1.586 -1.828) 4.256 35.867 ( -5.824 0.915 0.693) 5.936 36.042 ( 1.094 1.837 -3.891) 4.440 36.333 ( -6.645 -2.916 8.957) 11.528 36.702 ( 4.883 -2.685 -9.084) 10.657 39.332 ( -2.384 1.189 9.304) 9.678 39.459 ( -1.583 -1.192 4.561) 4.973 39.699 ( -5.344 -8.172 -1.425) 9.868 39.769 ( 4.053 -7.290 -6.267) 10.433 40.374 ( 4.819 11.354 2.593) 12.604 40.724 ( -4.116 2.604 -3.778) 6.164 40.960 ( 1.597 -3.506 8.886) 9.685 41.345 ( 3.104 -3.025 -6.565) 7.866 ======================= Grid point 103 (54/80) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -13.755 18.948 10.710) 25.747 2.011 ( -9.952 9.815 4.922) 14.819 2.343 ( -1.739 14.177 -8.286) 16.513 2.499 ( 10.984 4.418 -4.268) 12.585 2.687 ( -3.671 6.965 -0.806) 7.914 2.936 ( -2.709 8.011 3.166) 9.030 2.987 ( 4.679 7.561 -6.278) 10.885 3.127 ( 3.556 13.575 5.093) 14.929 3.150 ( 4.170 9.556 1.477) 10.530 3.363 ( 2.003 -4.309 -0.568) 4.785 3.417 ( 2.651 5.626 7.668) 9.873 3.532 ( 2.651 6.381 0.383) 6.921 3.556 ( -5.083 4.125 -6.826) 9.458 3.608 ( -0.768 13.523 -5.377) 14.573 3.776 ( -2.591 -1.985 -3.799) 5.009 3.836 ( -1.287 3.623 0.630) 3.896 3.894 ( -4.055 -3.905 1.601) 5.853 3.961 ( 6.017 -1.150 4.435) 7.563 4.170 ( -5.289 0.425 7.029) 8.807 4.264 ( -3.807 -2.899 1.112) 4.913 4.328 ( -0.612 0.894 -1.526) 1.871 4.370 ( -0.507 -0.613 -0.083) 0.800 4.449 ( -5.759 1.107 1.946) 6.179 4.542 ( -1.424 5.169 1.273) 5.510 4.627 ( 1.094 -3.514 -0.221) 3.687 4.694 ( 2.557 -1.110 -1.220) 3.043 4.733 ( -1.372 6.500 1.424) 6.794 4.785 ( -2.471 2.386 0.044) 3.436 4.844 ( 4.951 -7.210 -3.860) 9.560 4.981 ( -5.996 -0.039 -5.290) 7.996 5.103 ( -2.034 2.511 -0.314) 3.247 5.205 ( -2.015 -4.843 0.306) 5.255 5.303 ( 6.162 2.232 -2.976) 7.198 5.339 ( 4.075 1.926 -2.272) 5.047 5.421 ( 1.171 1.148 4.164) 4.475 5.485 ( 2.508 1.104 5.926) 6.529 5.540 ( 5.813 1.104 -0.175) 5.919 5.598 ( -6.303 -0.388 -1.069) 6.405 5.660 ( 3.987 2.038 -5.374) 6.995 5.692 ( -0.846 4.220 -0.372) 4.320 5.814 ( 6.778 0.024 6.183) 9.175 5.924 ( 2.343 -4.730 -2.805) 5.977 6.004 ( -1.653 -2.897 2.269) 4.034 6.124 ( 4.467 2.264 -0.901) 5.088 6.165 ( 0.435 -1.329 3.201) 3.493 6.200 ( -3.003 -0.088 -0.267) 3.016 6.271 ( -1.726 -0.181 1.507) 2.299 6.303 ( 2.032 0.757 1.698) 2.755 6.350 ( -3.584 -3.480 -0.275) 5.003 6.484 ( -2.442 2.799 -1.434) 3.981 6.596 ( 4.965 -4.846 0.633) 6.966 6.620 ( 3.437 3.076 -0.876) 4.695 6.678 ( -1.136 -2.157 -1.244) 2.737 6.740 ( -6.320 2.769 0.770) 6.943 6.768 ( -0.289 -3.546 -1.902) 4.034 6.892 ( -1.291 3.216 2.116) 4.060 6.952 ( -1.855 -1.069 -0.009) 2.142 6.988 ( 1.589 1.720 -1.977) 3.065 7.104 ( -1.644 2.449 5.726) 6.441 7.119 ( -1.341 5.519 1.754) 5.945 7.206 ( -1.170 0.005 1.438) 1.854 7.261 ( -0.435 -3.465 -1.020) 3.638 7.287 ( -2.364 -2.443 -3.239) 4.696 7.323 ( -2.524 -0.902 -2.094) 3.401 7.343 ( 2.021 -2.938 0.485) 3.599 7.415 ( 3.456 -0.930 -2.035) 4.117 7.498 ( 0.838 -0.352 5.492) 5.566 7.549 ( 0.774 5.495 2.194) 5.967 7.631 ( 3.935 0.280 -3.468) 5.252 7.667 ( -3.495 -1.394 1.394) 4.013 7.760 ( -3.196 -2.750 2.801) 5.062 7.813 ( -0.207 3.204 -5.689) 6.532 7.868 ( 1.008 0.883 -3.612) 3.852 7.919 ( -1.791 -3.457 -6.416) 7.505 7.992 ( -1.396 -5.314 1.882) 5.808 8.035 ( -1.058 -3.518 -1.014) 3.811 8.081 ( -4.405 -2.435 1.425) 5.231 8.164 ( 1.830 2.917 2.831) 4.458 8.267 ( -0.772 -2.247 0.637) 2.459 8.382 ( -0.140 -1.982 -3.587) 4.101 8.532 ( -0.814 2.249 1.907) 3.059 8.616 ( 2.682 -1.371 0.838) 3.127 8.632 ( -1.514 0.646 -5.389) 5.635 8.661 ( -7.692 1.190 2.576) 8.199 8.708 ( 3.838 0.336 -0.693) 3.914 8.855 ( 9.392 4.621 0.529) 10.481 9.021 ( 0.874 2.460 4.362) 5.083 9.147 ( 4.676 1.724 -1.029) 5.089 9.262 ( 2.324 -1.420 -1.519) 3.118 9.315 ( -2.164 1.771 -7.880) 8.362 9.558 ( -1.403 1.019 5.052) 5.341 9.699 ( -1.701 -3.218 -3.029) 4.735 10.216 ( -1.661 2.232 1.081) 2.985 10.252 ( 4.455 5.905 2.704) 7.876 10.397 ( -1.290 1.638 3.160) 3.786 10.554 ( 0.960 -5.058 -4.985) 7.166 11.064 ( -6.840 6.196 9.462) 13.218 11.490 ( 7.593 5.263 -6.808) 11.476 11.820 ( -2.728 -2.569 6.843) 7.802 12.133 ( 2.698 -5.242 -7.744) 9.733 12.428 ( -0.281 -1.102 -2.669) 2.901 12.530 ( 2.301 2.101 -5.118) 5.992 12.979 ( -2.012 -10.068 18.608) 21.252 13.309 ( -0.245 -8.480 -3.271) 9.092 15.158 ( -0.530 4.137 -4.588) 6.200 15.226 ( 6.305 5.244 -6.109) 10.226 15.993 ( -1.190 1.485 1.861) 2.662 16.037 ( 1.951 3.203 0.946) 3.868 16.923 ( 0.173 0.853 4.620) 4.701 16.985 ( -1.913 -0.490 3.288) 3.836 17.052 ( -1.550 0.807 0.677) 1.874 17.242 ( 1.876 -1.469 -2.717) 3.614 17.352 ( -3.174 -0.546 -0.868) 3.336 17.406 ( 1.686 -0.856 -0.654) 2.001 17.557 ( 1.421 -0.460 3.589) 3.887 17.623 ( 0.296 -1.706 -1.128) 2.066 17.903 ( -2.006 -0.533 0.290) 2.095 17.927 ( -1.012 0.426 0.966) 1.463 17.984 ( -1.293 -1.540 -1.035) 2.261 18.037 ( 4.784 -2.983 -2.009) 5.985 18.265 ( 1.337 -3.890 4.080) 5.793 18.366 ( 0.056 -3.835 -4.125) 5.632 18.480 ( -3.294 -4.531 1.681) 5.849 18.599 ( 1.431 -4.848 -2.728) 5.744 20.695 ( -0.822 -0.392 1.185) 1.494 20.727 ( 0.514 -1.547 0.605) 1.738 20.803 ( 0.540 -0.226 -0.858) 1.039 20.815 ( -0.479 -0.917 -1.167) 1.560 21.510 ( -0.838 1.182 1.688) 2.224 21.528 ( -0.773 0.842 0.926) 1.471 21.566 ( 0.449 1.188 -1.015) 1.626 21.588 ( 2.020 1.519 -1.676) 3.032 27.220 ( 0.061 0.535 1.241) 1.353 27.267 ( 0.629 0.248 -1.576) 1.715 27.295 ( -0.741 -0.817 0.768) 1.344 27.317 ( -0.094 -0.253 -0.289) 0.396 27.629 ( -0.326 1.209 0.578) 1.379 27.650 ( 0.598 1.085 0.094) 1.242 27.685 ( -0.876 1.070 0.639) 1.523 27.716 ( 0.480 1.284 -0.320) 1.408 35.181 ( -4.457 0.663 3.049) 5.441 35.313 ( 2.600 -1.199 -0.084) 2.865 35.548 ( -6.775 -1.385 -4.153) 8.066 35.686 ( 0.720 -1.967 -2.875) 3.557 35.844 ( 1.451 2.030 4.149) 4.841 36.034 ( 2.393 1.957 -4.133) 5.162 36.300 ( -6.317 -2.711 9.709) 11.896 36.709 ( 5.837 -3.282 -9.435) 11.570 39.387 ( -2.853 0.880 10.287) 10.711 39.466 ( -3.937 -1.682 4.859) 6.476 39.601 ( -1.252 -5.206 -2.733) 6.012 39.810 ( 8.695 -4.624 -7.014) 12.091 40.507 ( -1.712 5.043 1.952) 5.672 40.591 ( 0.633 2.568 -0.821) 2.770 41.036 ( -3.798 -4.378 6.458) 8.677 41.335 ( 4.166 -2.829 -7.851) 9.327 ======================= Grid point 104 (55/80) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -2.040 23.680 20.125) 31.143 1.873 ( -11.881 20.625 15.583) 28.450 2.347 ( 4.420 4.127 -0.645) 6.082 2.564 ( -6.127 4.778 2.470) 8.153 2.655 ( 7.459 0.610 -11.766) 13.944 2.875 ( -0.316 17.788 0.081) 17.791 3.023 ( -5.199 13.489 3.545) 14.885 3.028 ( -0.579 9.639 -4.934) 10.844 3.201 ( 1.023 6.997 -3.872) 8.062 3.349 ( 3.198 15.401 -8.959) 18.102 3.445 ( -2.752 -1.183 -6.193) 6.879 3.562 ( 4.037 7.670 -1.682) 8.829 3.606 ( 8.762 -4.784 2.433) 10.275 3.705 ( -0.908 5.277 -1.136) 5.474 3.757 ( 10.453 5.891 5.609) 13.245 3.874 ( 0.493 -0.589 7.395) 7.435 3.879 ( 0.744 -5.255 3.198) 6.197 4.074 ( -4.192 -2.595 6.179) 7.905 4.148 ( -3.372 3.977 -3.081) 6.056 4.149 ( -3.575 3.070 4.964) 6.844 4.288 ( -2.783 -3.399 4.448) 6.252 4.368 ( -0.848 -0.899 3.217) 3.447 4.438 ( -1.733 0.952 4.243) 4.682 4.534 ( -1.067 6.800 -1.833) 7.123 4.673 ( -0.362 -1.080 0.481) 1.236 4.694 ( -2.408 3.438 0.571) 4.236 4.728 ( -0.046 5.273 3.426) 6.288 4.759 ( -2.578 -3.315 0.136) 4.202 4.808 ( -1.544 3.480 -0.938) 3.921 4.920 ( 7.736 -7.189 -6.276) 12.285 5.016 ( -3.083 -0.410 -2.427) 3.945 5.104 ( -8.385 -3.406 -3.590) 9.737 5.330 ( -2.083 4.316 -2.487) 5.399 5.371 ( 1.951 -4.182 -5.258) 6.997 5.420 ( -3.540 -2.076 -0.042) 4.104 5.466 ( 5.212 -0.110 2.392) 5.736 5.592 ( -2.756 0.477 -7.156) 7.683 5.670 ( 1.367 0.575 3.562) 3.858 5.731 ( 8.064 2.366 1.550) 8.546 5.748 ( 7.156 1.619 -1.590) 7.507 5.870 ( 1.178 -2.066 -1.135) 2.635 5.928 ( 1.416 1.468 -7.337) 7.615 5.976 ( -3.734 2.493 -3.666) 5.797 6.081 ( -2.270 -0.320 -5.465) 5.926 6.086 ( -2.923 -4.143 0.543) 5.100 6.213 ( -2.230 -8.311 4.423) 9.675 6.267 ( -0.945 -2.428 3.979) 4.756 6.340 ( 1.947 0.615 3.575) 4.117 6.431 ( 0.548 1.264 1.199) 1.826 6.486 ( 3.715 0.298 2.619) 4.556 6.624 ( 0.060 3.873 0.304) 3.885 6.626 ( 1.307 -1.129 -2.299) 2.875 6.691 ( 2.066 -2.252 0.980) 3.209 6.761 ( 1.286 -0.277 0.119) 1.321 6.821 ( 7.193 2.475 3.993) 8.592 6.876 ( -1.361 3.151 0.677) 3.499 6.921 ( -2.504 -4.092 -1.395) 4.996 6.961 ( -1.910 3.215 -0.031) 3.739 7.065 ( -3.841 -2.395 3.661) 5.821 7.151 ( -1.577 1.035 -0.083) 1.888 7.197 ( 0.013 -0.634 0.763) 0.992 7.204 ( 0.046 2.956 -2.928) 4.161 7.220 ( -1.398 -3.213 0.868) 3.609 7.313 ( 2.550 0.455 -0.318) 2.610 7.353 ( -3.053 2.642 0.039) 4.038 7.447 ( 0.216 -5.553 2.089) 5.937 7.538 ( 0.954 3.649 -2.384) 4.462 7.580 ( -3.449 0.983 2.212) 4.213 7.610 ( -0.209 6.063 3.610) 7.059 7.697 ( 2.985 0.133 1.594) 3.387 7.714 ( -1.959 0.129 2.801) 3.420 7.800 ( -2.709 -4.241 0.305) 5.041 7.816 ( 2.248 2.493 -3.383) 4.766 7.919 ( 1.102 -1.713 0.428) 2.081 7.957 ( 0.577 -6.513 -0.961) 6.609 7.999 ( -6.446 0.686 3.117) 7.193 8.095 ( 2.800 -3.715 2.984) 5.527 8.183 ( -2.270 -0.305 5.398) 5.864 8.236 ( -1.393 -2.317 -4.932) 5.624 8.363 ( 1.108 -2.470 -1.171) 2.950 8.486 ( -6.060 -2.973 1.162) 6.850 8.545 ( 0.495 1.503 -3.804) 4.120 8.593 ( 1.696 3.950 -8.283) 9.332 8.647 ( -1.879 2.089 2.425) 3.711 8.787 ( 6.043 -4.262 -0.983) 7.460 9.005 ( 3.018 3.312 -0.533) 4.513 9.058 ( 1.006 -2.153 -1.039) 2.594 9.209 ( 3.218 4.387 -2.374) 5.936 9.272 ( 3.108 4.038 0.518) 5.122 9.315 ( 3.334 -0.054 0.402) 3.359 9.493 ( -3.704 -4.256 -1.342) 5.799 9.691 ( -0.953 0.929 2.769) 3.073 10.199 ( 0.264 2.652 -0.677) 2.749 10.337 ( -0.795 1.114 3.600) 3.851 10.382 ( 0.849 3.969 -3.979) 5.684 10.542 ( 0.513 -2.880 -0.614) 2.989 11.039 ( -5.693 5.805 9.832) 12.758 11.548 ( 5.166 5.000 -8.212) 10.915 11.828 ( -2.695 -2.318 5.174) 6.278 12.115 ( 3.601 -5.023 -7.533) 9.744 12.364 ( -3.341 1.857 -1.236) 4.018 12.533 ( 2.866 3.135 -4.835) 6.436 13.079 ( -3.908 -12.259 11.028) 16.946 13.271 ( 0.007 -8.961 -3.879) 9.764 15.116 ( 1.827 4.107 -2.737) 5.263 15.316 ( 7.351 3.495 -5.747) 9.964 15.974 ( -1.664 1.836 0.359) 2.504 16.061 ( 0.570 1.773 -1.799) 2.589 16.946 ( -1.121 0.113 2.647) 2.877 16.997 ( -3.115 -1.238 4.128) 5.317 17.049 ( 2.466 0.793 0.072) 2.591 17.239 ( -0.072 -0.731 -3.103) 3.189 17.314 ( -0.154 0.507 1.772) 1.849 17.422 ( 0.754 -0.275 -0.465) 0.928 17.593 ( -3.069 -2.528 2.495) 4.694 17.629 ( 2.645 -1.918 -1.800) 3.730 17.862 ( -1.770 -0.583 -0.635) 1.969 17.904 ( -1.144 1.424 0.091) 1.829 17.978 ( -0.361 -1.896 1.737) 2.597 18.093 ( 3.574 -2.870 -2.791) 5.366 18.299 ( -0.723 -3.227 -0.251) 3.317 18.341 ( 1.727 -3.843 -2.124) 4.718 18.454 ( -1.887 -4.503 4.312) 6.514 18.615 ( 1.789 -4.979 -1.792) 5.586 20.685 ( -0.700 -0.626 0.596) 1.112 20.731 ( -0.545 -1.819 -0.289) 1.921 20.813 ( 0.623 -1.343 1.344) 1.999 20.841 ( 2.797 -1.103 0.364) 3.028 21.514 ( -0.429 0.844 1.464) 1.743 21.524 ( -0.804 1.035 1.360) 1.889 21.568 ( 0.578 1.220 -0.655) 1.501 21.616 ( 2.651 1.280 -2.354) 3.769 27.235 ( 0.264 0.151 0.852) 0.905 27.267 ( 0.888 0.400 -1.171) 1.523 27.280 ( -1.140 -0.494 0.460) 1.324 27.312 ( -0.337 0.150 -0.157) 0.401 27.627 ( -0.334 1.391 0.373) 1.478 27.652 ( -0.031 1.540 -0.649) 1.672 27.687 ( 0.008 0.578 1.269) 1.394 27.723 ( 0.394 1.177 -0.082) 1.243 35.107 ( -2.696 1.005 0.094) 2.878 35.300 ( -10.473 2.415 -3.475) 11.296 35.401 ( 1.637 -2.611 3.413) 4.599 35.642 ( -3.489 -0.525 -0.063) 3.529 35.921 ( 1.668 -0.312 2.900) 3.360 36.046 ( 2.688 0.802 -2.987) 4.098 36.308 ( -2.478 -0.287 8.539) 8.896 36.726 ( 5.245 -3.469 -9.247) 11.183 39.374 ( -6.101 -0.053 5.754) 8.387 39.471 ( -1.565 -3.415 7.451) 8.344 39.575 ( 0.797 -3.698 -2.929) 4.784 39.970 ( 12.185 -7.845 -5.235) 15.408 40.342 ( -7.030 4.521 -3.232) 8.961 40.692 ( 1.024 9.446 0.205) 9.504 40.964 ( -6.906 -5.090 6.486) 10.755 41.346 ( 4.162 -2.701 -7.400) 8.910 ======================= Grid point 105 (56/80) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -5.485 11.011 9.583) 15.594 2.334 ( -4.840 18.542 12.271) 22.756 2.455 ( -0.038 0.981 4.835) 4.934 2.587 ( 0.393 8.629 0.205) 8.640 2.720 ( 6.439 4.348 -11.398) 13.794 2.943 ( 4.024 1.959 -7.562) 8.787 3.083 ( 2.223 -0.960 -0.405) 2.456 3.175 ( -2.642 6.148 2.941) 7.310 3.271 ( 1.067 0.266 -5.212) 5.327 3.418 ( -1.008 -5.335 -5.253) 7.555 3.507 ( 2.880 -0.954 2.309) 3.813 3.628 ( -0.717 -2.288 3.068) 3.894 3.673 ( -4.582 8.151 -1.642) 9.494 3.885 ( 1.080 2.288 -6.849) 7.301 3.986 ( 1.052 8.770 5.980) 10.667 3.997 ( -2.268 0.941 0.222) 2.466 4.015 ( 6.201 0.409 2.737) 6.790 4.079 ( -0.856 -0.586 10.523) 10.574 4.220 ( -3.493 3.357 7.816) 9.195 4.296 ( 4.110 13.847 4.958) 15.271 4.332 ( 1.145 7.017 0.188) 7.112 4.365 ( 0.759 -0.064 6.535) 6.579 4.455 ( 1.139 -0.581 -0.456) 1.357 4.549 ( -3.868 2.694 -1.126) 4.847 4.615 ( -5.725 5.031 -1.279) 7.728 4.661 ( -0.720 -0.862 -1.463) 1.844 4.743 ( 0.987 1.577 -2.449) 3.076 4.788 ( 0.933 -1.704 -2.194) 2.930 4.872 ( -3.987 0.845 -4.253) 5.890 4.928 ( 4.954 -2.662 -4.177) 7.005 4.976 ( 2.224 4.228 1.726) 5.079 5.002 ( 7.371 0.983 4.581) 8.735 5.241 ( 2.854 -4.157 2.732) 5.735 5.374 ( -2.113 3.505 -2.465) 4.778 5.399 ( -5.407 0.913 -4.873) 7.336 5.416 ( -1.589 0.524 -0.338) 1.707 5.578 ( 0.078 -3.540 6.393) 7.308 5.669 ( -7.138 -0.442 -1.441) 7.295 5.760 ( -0.704 -7.568 -3.957) 8.569 5.776 ( -0.444 -2.767 -6.248) 6.848 5.798 ( -2.590 -1.705 1.805) 3.588 5.900 ( -2.398 -1.907 -1.468) 3.398 5.932 ( -2.836 6.040 -1.436) 6.826 5.987 ( 1.241 -3.037 0.217) 3.288 6.002 ( 6.113 1.652 -1.659) 6.547 6.093 ( 4.977 -4.254 -5.615) 8.625 6.225 ( -1.644 0.266 3.700) 4.058 6.407 ( 5.379 3.488 -3.772) 7.438 6.449 ( -1.384 -2.134 2.091) 3.293 6.547 ( -0.329 -2.661 -1.156) 2.920 6.561 ( -3.327 0.294 2.418) 4.124 6.701 ( 4.084 -1.104 -1.435) 4.468 6.722 ( -0.553 -3.375 -0.768) 3.506 6.783 ( 5.819 -5.319 3.757) 8.733 6.807 ( -2.262 2.021 0.438) 3.065 6.854 ( -2.801 0.298 -4.200) 5.057 6.980 ( -1.111 4.546 1.530) 4.924 6.993 ( 1.600 1.367 1.291) 2.469 7.054 ( -0.973 -0.405 0.855) 1.357 7.082 ( -3.566 1.408 0.588) 3.878 7.150 ( 0.477 -3.782 0.546) 3.850 7.208 ( -0.860 -3.707 2.725) 4.680 7.327 ( -0.788 3.399 4.260) 5.506 7.367 ( -0.704 0.978 3.689) 3.881 7.397 ( 0.641 2.602 -0.065) 2.681 7.474 ( 1.682 5.687 1.188) 6.049 7.504 ( -1.882 -0.972 1.657) 2.689 7.619 ( 1.300 2.137 -3.058) 3.951 7.655 ( -0.853 -1.921 1.328) 2.486 7.663 ( 0.831 -1.176 -0.821) 1.658 7.690 ( 1.580 -4.456 0.464) 4.751 7.779 ( -1.552 3.073 -1.955) 3.959 7.841 ( 0.233 -0.689 1.409) 1.586 7.942 ( -0.999 -2.928 2.514) 3.986 7.944 ( 3.806 1.601 0.489) 4.158 8.000 ( 2.385 0.019 3.741) 4.437 8.096 ( 2.466 -1.160 -1.872) 3.306 8.185 ( 1.604 -2.602 -2.558) 3.986 8.203 ( -0.583 1.911 3.463) 3.997 8.260 ( -1.189 -5.601 3.551) 6.737 8.396 ( -3.372 3.168 1.299) 4.806 8.525 ( -5.026 -1.880 -2.526) 5.931 8.548 ( 2.959 0.542 -3.854) 4.889 8.613 ( 1.058 1.284 -8.856) 9.011 8.854 ( 0.003 0.179 1.824) 1.833 8.962 ( 3.015 -0.209 -0.940) 3.165 9.088 ( -0.439 -0.427 -0.324) 0.693 9.201 ( -4.808 -2.682 -3.407) 6.474 9.368 ( 4.105 4.322 -0.167) 5.963 9.416 ( 1.616 4.242 -0.007) 4.540 9.567 ( 5.556 1.597 2.248) 6.203 9.671 ( -3.671 -0.990 -0.905) 3.909 10.240 ( -0.738 0.850 3.175) 3.369 10.343 ( -3.259 -1.997 3.364) 5.092 10.377 ( -0.942 3.784 -2.937) 4.882 10.516 ( 2.834 -2.751 -3.020) 4.972 11.190 ( -4.404 8.307 10.147) 13.834 11.510 ( -2.164 -5.020 0.875) 5.536 11.828 ( 1.463 2.953 -5.854) 6.717 12.011 ( 4.313 -5.480 -8.188) 10.755 12.410 ( -3.203 5.952 3.674) 7.693 12.629 ( 3.572 3.082 -5.481) 7.231 12.827 ( -7.369 -6.521 5.515) 11.280 13.074 ( 3.734 -9.676 -5.236) 11.619 15.238 ( 1.754 3.940 0.887) 4.403 15.359 ( 1.780 -0.928 -4.772) 5.177 15.978 ( -1.152 1.299 0.285) 1.759 16.035 ( -0.423 -0.618 -2.733) 2.833 16.930 ( -3.620 0.883 3.775) 5.304 16.977 ( -2.646 -0.394 3.567) 4.459 17.118 ( 2.880 1.415 -0.884) 3.329 17.198 ( 1.203 -0.950 -3.229) 3.574 17.363 ( 0.336 0.789 2.423) 2.571 17.419 ( 1.791 -1.836 0.235) 2.576 17.492 ( -3.567 -0.596 0.175) 3.620 17.567 ( 0.798 -4.520 -2.373) 5.167 17.849 ( 0.022 -0.153 1.279) 1.288 17.885 ( -0.890 -1.655 -0.042) 1.880 17.952 ( -1.322 0.447 1.804) 2.280 18.043 ( 1.040 -3.312 -2.710) 4.404 18.257 ( -1.644 0.527 2.060) 2.688 18.326 ( 1.817 -2.049 0.241) 2.749 18.413 ( 0.473 -0.930 1.252) 1.630 18.512 ( 1.060 -4.536 -2.643) 5.356 20.674 ( -0.176 -0.079 0.363) 0.411 20.689 ( -0.377 -0.816 -0.313) 0.952 20.808 ( 0.396 -1.101 0.705) 1.366 20.835 ( 0.915 -2.301 -0.428) 2.513 21.537 ( -0.399 0.678 1.610) 1.792 21.543 ( -0.760 0.567 1.725) 1.969 21.596 ( 0.520 1.166 -0.941) 1.586 21.632 ( 0.740 -0.292 -2.118) 2.263 27.244 ( -0.443 0.182 0.623) 0.786 27.254 ( -0.337 -0.185 0.400) 0.554 27.290 ( 0.355 0.415 -0.346) 0.646 27.306 ( 0.257 -0.210 -0.744) 0.815 27.656 ( -0.480 1.511 0.642) 1.711 27.675 ( -0.401 1.207 -0.109) 1.276 27.712 ( 0.260 0.504 0.739) 0.931 27.738 ( 0.159 -0.039 -0.358) 0.393 35.144 ( -3.450 1.512 0.454) 3.794 35.169 ( 2.653 0.855 -0.290) 2.802 35.458 ( 0.227 0.916 2.115) 2.316 35.550 ( -0.042 -2.248 -1.770) 2.861 35.964 ( -1.098 1.256 3.788) 4.139 36.056 ( 0.848 -1.991 0.348) 2.192 36.392 ( -0.471 4.082 2.541) 4.831 36.625 ( 3.545 -5.716 -7.421) 10.015 39.337 ( -3.521 1.437 4.807) 6.129 39.432 ( -2.313 -2.466 4.971) 6.012 39.541 ( 0.959 -0.781 -0.999) 1.590 39.743 ( -0.753 -10.128 -6.878) 12.265 40.549 ( 2.547 8.824 6.638) 11.332 40.810 ( -4.455 3.956 -0.053) 5.958 40.910 ( 0.516 2.549 1.920) 3.232 41.249 ( 3.813 -6.311 -9.067) 11.687 ======================= Grid point 106 (57/80) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -10.608 7.277 8.836) 15.607 2.335 ( -1.401 0.821 1.391) 2.139 2.459 ( -3.977 7.331 3.673) 9.113 2.700 ( 7.834 14.727 3.407) 17.025 2.773 ( 6.224 -0.011 -3.561) 7.171 2.991 ( 8.013 5.427 -9.475) 13.544 3.086 ( -2.390 2.001 -0.102) 3.119 3.143 ( -0.609 8.361 -1.669) 8.548 3.220 ( -2.691 3.973 -2.491) 5.407 3.375 ( 1.053 4.156 -1.376) 4.502 3.523 ( -5.361 0.919 -0.137) 5.440 3.589 ( -3.206 0.368 5.338) 6.238 3.645 ( 0.481 -3.524 -0.949) 3.681 3.744 ( -3.224 2.580 -2.865) 5.026 3.927 ( -2.168 2.322 0.236) 3.186 4.077 ( -6.354 5.890 7.239) 11.290 4.105 ( -7.601 0.888 5.790) 9.596 4.111 ( 0.779 -0.083 -2.708) 2.819 4.215 ( 0.032 4.397 -0.374) 4.413 4.224 ( -2.860 1.416 -1.253) 3.429 4.376 ( -0.272 -3.282 -0.592) 3.346 4.460 ( 0.328 -0.759 2.878) 2.994 4.534 ( 2.776 5.568 -1.117) 6.321 4.555 ( 5.168 5.937 -0.238) 7.875 4.614 ( 1.536 1.483 2.372) 3.191 4.657 ( 3.314 -0.357 3.027) 4.503 4.740 ( 3.836 3.226 0.128) 5.014 4.763 ( 0.630 1.847 -3.171) 3.724 4.831 ( 3.096 -1.912 -1.606) 3.977 5.006 ( 4.111 -0.515 -3.354) 5.331 5.014 ( 0.397 7.991 -4.709) 9.284 5.129 ( 5.072 -1.511 -2.659) 5.923 5.198 ( -3.567 -3.320 -0.671) 4.919 5.352 ( -0.108 2.990 3.806) 4.841 5.373 ( 3.477 5.550 2.833) 7.135 5.480 ( -1.578 1.903 1.732) 3.019 5.538 ( 2.385 -2.104 1.555) 3.540 5.629 ( -1.603 -7.986 0.615) 8.168 5.677 ( -9.992 -0.680 3.697) 10.676 5.717 ( -0.023 1.348 1.186) 1.795 5.789 ( 0.908 -0.614 -1.100) 1.553 5.834 ( -2.111 -4.616 -0.220) 5.081 5.948 ( 3.596 6.085 0.766) 7.109 5.998 ( 4.638 -0.940 -1.378) 4.929 6.044 ( 3.397 2.459 -5.055) 6.569 6.150 ( -1.615 -3.120 0.908) 3.629 6.210 ( 0.952 -1.780 -1.971) 2.821 6.417 ( -7.046 0.803 4.088) 8.186 6.446 ( -0.484 -2.899 -5.155) 5.934 6.503 ( 1.886 1.580 -0.984) 2.650 6.597 ( 3.097 -2.285 -0.666) 3.906 6.665 ( -5.351 -7.179 -0.152) 8.955 6.713 ( -1.856 -1.592 0.493) 2.494 6.731 ( 0.328 0.047 0.727) 0.799 6.803 ( -0.777 2.315 -2.422) 3.439 6.891 ( 0.972 0.681 1.097) 1.616 6.961 ( -0.544 3.565 0.478) 3.638 6.995 ( 0.197 0.385 -0.828) 0.934 7.053 ( 1.318 -0.473 0.235) 1.420 7.137 ( 3.655 0.150 5.125) 6.297 7.180 ( 1.730 -3.616 2.321) 4.632 7.249 ( 1.266 -2.958 0.338) 3.235 7.296 ( -5.752 -0.745 1.316) 5.947 7.340 ( -2.439 -1.498 5.793) 6.462 7.422 ( 1.219 4.478 -2.104) 5.095 7.454 ( -2.412 4.376 -2.974) 5.814 7.513 ( 0.830 4.128 -0.763) 4.279 7.550 ( -4.863 1.889 1.067) 5.324 7.636 ( -1.337 2.778 -2.215) 3.796 7.671 ( -1.519 -1.546 1.295) 2.525 7.769 ( 4.747 0.634 -3.436) 5.895 7.791 ( 5.784 -5.398 -1.618) 8.075 7.874 ( -1.635 -1.979 2.274) 3.429 7.910 ( 1.661 -6.802 -3.810) 7.971 7.981 ( -0.070 -0.581 2.589) 2.654 8.047 ( -0.267 -1.002 -0.623) 1.210 8.143 ( -0.644 -1.371 -4.647) 4.888 8.214 ( 1.756 -1.893 -0.347) 2.605 8.241 ( 5.243 2.651 4.487) 7.392 8.314 ( -0.572 -3.533 3.936) 5.320 8.408 ( 1.863 3.435 2.650) 4.721 8.432 ( -0.921 -0.153 -1.490) 1.758 8.557 ( 3.647 0.519 -5.424) 6.557 8.618 ( 6.643 -1.652 0.214) 6.849 8.833 ( -3.252 5.854 0.309) 6.704 8.930 ( -2.334 -0.284 -3.895) 4.549 9.073 ( -3.926 0.325 -1.022) 4.069 9.132 ( -1.070 -3.162 4.132) 5.312 9.365 ( -1.474 4.141 -3.990) 5.936 9.468 ( 4.945 6.222 -1.841) 8.158 9.553 ( -5.242 -1.637 -4.357) 7.010 9.688 ( 2.569 -2.055 3.521) 4.818 10.248 ( -2.190 1.621 4.716) 5.447 10.308 ( -3.264 -1.748 3.055) 4.800 10.340 ( -0.179 4.699 -2.164) 5.176 10.542 ( 2.738 -3.468 -3.164) 5.435 11.213 ( -4.826 7.561 11.579) 14.647 11.477 ( -1.112 -2.924 -0.564) 3.179 11.793 ( 0.416 2.346 -3.645) 4.355 12.013 ( 4.582 -7.232 -8.422) 12.009 12.403 ( -2.073 4.422 5.298) 7.206 12.629 ( 1.674 1.403 -4.541) 5.039 12.748 ( -6.007 -2.042 6.529) 9.104 13.105 ( 3.771 -10.642 -3.903) 11.946 15.268 ( 0.702 2.742 -0.411) 2.861 15.324 ( 0.138 0.370 -4.842) 4.858 15.975 ( -0.280 1.045 1.873) 2.163 16.014 ( 0.600 0.323 -1.151) 1.337 16.902 ( -2.989 1.247 3.781) 4.979 16.963 ( -3.401 -1.483 5.362) 6.521 17.157 ( 1.820 1.125 -2.066) 2.974 17.195 ( 2.150 -0.052 -3.136) 3.803 17.357 ( -1.807 0.811 0.253) 1.997 17.423 ( -0.474 -1.385 -1.249) 1.924 17.474 ( -0.464 -0.786 2.658) 2.810 17.577 ( 1.782 -4.824 -0.789) 5.203 17.864 ( 0.550 -1.168 0.697) 1.467 17.885 ( 0.772 -0.622 0.337) 1.047 17.942 ( -1.497 0.431 1.687) 2.297 18.026 ( -0.275 -3.000 -1.941) 3.584 18.235 ( -2.338 1.881 1.591) 3.396 18.355 ( 1.219 -2.694 -0.794) 3.062 18.427 ( -0.142 -1.424 0.699) 1.593 18.513 ( 1.659 -4.618 -2.740) 5.620 20.679 ( 0.088 -0.383 0.550) 0.677 20.683 ( -0.080 -0.417 0.024) 0.425 20.814 ( -0.120 -1.171 -0.071) 1.179 20.836 ( 0.030 -2.277 -1.142) 2.547 21.542 ( -1.065 0.842 1.835) 2.282 21.544 ( -0.437 0.551 1.247) 1.431 21.594 ( 0.355 0.923 -1.065) 1.453 21.616 ( -0.029 0.137 -1.955) 1.960 27.237 ( -0.870 0.672 0.784) 1.350 27.260 ( 0.230 -0.352 0.400) 0.580 27.287 ( -0.026 0.391 -0.490) 0.627 27.308 ( 0.421 -0.652 -0.547) 0.949 27.652 ( -0.591 1.413 0.778) 1.718 27.667 ( -0.611 1.061 0.401) 1.288 27.721 ( 0.117 0.530 0.304) 0.622 27.735 ( 0.033 0.208 -0.583) 0.620 35.117 ( 0.869 3.250 1.093) 3.537 35.274 ( 5.535 -3.801 0.650) 6.746 35.459 ( 0.627 2.966 -0.650) 3.100 35.590 ( 4.161 -2.335 -0.997) 4.875 35.956 ( -3.098 1.417 2.505) 4.229 36.055 ( -1.034 -1.934 0.305) 2.214 36.385 ( -2.795 3.616 2.310) 5.120 36.617 ( 3.568 -5.605 -7.659) 10.140 39.335 ( -2.513 2.191 6.331) 7.156 39.427 ( -2.044 -1.398 3.260) 4.094 39.570 ( 0.936 -4.556 2.326) 5.201 39.650 ( -1.683 -7.445 -5.433) 9.369 40.614 ( -1.591 9.554 1.595) 9.816 40.808 ( 4.675 5.846 2.132) 7.783 40.889 ( -5.067 0.203 1.801) 5.381 41.238 ( 4.178 -7.280 -8.179) 11.720 ======================= Grid point 107 (58/80) ======================= q-point: (-0.60 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -6.728 7.998 8.253) 13.317 2.262 ( -3.704 5.315 -5.538) 8.523 2.449 ( 0.788 3.869 2.737) 4.805 2.826 ( -1.320 6.926 4.350) 8.284 2.877 ( 3.522 8.704 -0.429) 9.399 2.978 ( 1.658 4.602 -7.780) 9.190 3.037 ( -1.555 1.321 2.084) 2.916 3.139 ( 1.514 3.176 -6.270) 7.190 3.201 ( 4.153 5.984 1.953) 7.541 3.359 ( -5.194 3.662 -1.388) 6.505 3.425 ( 2.627 4.027 2.198) 5.286 3.600 ( 0.904 0.470 1.193) 1.569 3.679 ( 0.604 -3.918 -0.706) 4.027 3.761 ( 3.506 4.846 4.271) 7.349 3.886 ( -4.668 5.829 -0.859) 7.517 3.932 ( -5.405 2.975 -1.324) 6.310 4.019 ( -5.467 1.381 -4.042) 6.938 4.034 ( -4.182 4.209 5.690) 8.220 4.153 ( -1.441 -0.566 1.392) 2.082 4.261 ( 2.689 -1.782 -3.118) 4.486 4.379 ( -3.359 -4.338 -1.828) 5.783 4.407 ( 0.468 -0.676 -1.993) 2.156 4.491 ( -2.423 2.375 -8.180) 8.856 4.558 ( -3.725 -1.544 4.483) 6.029 4.650 ( 1.405 1.248 -1.904) 2.675 4.692 ( -0.045 -1.464 -0.654) 1.604 4.760 ( -0.180 0.478 -6.224) 6.244 4.801 ( -1.054 3.712 -1.978) 4.336 4.971 ( 6.986 -0.776 2.272) 7.387 5.000 ( 5.493 5.336 1.294) 7.766 5.088 ( 2.539 2.184 2.807) 4.370 5.178 ( 2.703 0.688 -1.934) 3.394 5.227 ( 1.248 -1.773 3.918) 4.478 5.328 ( 0.880 6.153 -0.161) 6.218 5.402 ( -2.334 4.157 2.602) 5.432 5.485 ( -5.602 -2.650 2.092) 6.541 5.558 ( 5.641 2.409 4.710) 7.734 5.613 ( -5.274 -1.776 0.952) 5.646 5.658 ( 3.332 2.404 2.425) 4.771 5.743 ( -3.417 1.115 -4.657) 5.883 5.777 ( 0.373 -2.421 5.513) 6.033 5.839 ( 3.548 0.781 -1.242) 3.840 5.969 ( -1.825 0.552 -3.819) 4.268 6.073 ( 5.598 5.121 2.166) 7.890 6.107 ( 3.963 -2.503 -1.289) 4.861 6.174 ( 3.291 -1.494 0.827) 3.707 6.220 ( 1.999 -3.975 1.352) 4.650 6.285 ( -7.620 -1.430 3.364) 8.451 6.398 ( -3.445 1.822 -0.850) 3.989 6.491 ( 0.631 -4.204 -2.564) 4.964 6.580 ( -3.986 0.538 -1.002) 4.145 6.601 ( 1.559 -1.480 -0.120) 2.153 6.685 ( -0.323 -2.610 -3.331) 4.244 6.773 ( 0.028 4.970 -0.829) 5.039 6.828 ( 6.219 -5.435 4.255) 9.291 6.890 ( -4.070 2.959 -0.016) 5.032 6.971 ( -1.798 -0.478 0.224) 1.874 7.016 ( 5.259 1.807 1.634) 5.796 7.082 ( -2.029 -0.231 0.620) 2.134 7.159 ( -3.469 -2.779 4.907) 6.621 7.201 ( -1.478 -1.065 -1.853) 2.599 7.233 ( -1.168 -1.772 -1.765) 2.760 7.263 ( -1.826 0.697 4.596) 4.994 7.367 ( -3.806 -0.589 2.565) 4.627 7.410 ( 4.184 4.613 -3.789) 7.290 7.436 ( 2.783 2.694 -0.379) 3.892 7.492 ( 0.425 3.538 -1.337) 3.806 7.558 ( 4.389 4.417 -4.508) 7.688 7.587 ( -0.411 2.265 1.060) 2.535 7.647 ( -1.579 -4.112 1.915) 4.803 7.734 ( -4.279 -1.482 -5.506) 7.129 7.813 ( 1.039 -0.948 -1.370) 1.963 7.867 ( 4.120 -6.449 -0.248) 7.656 7.927 ( -5.117 -5.023 -2.118) 7.477 7.996 ( 1.621 -6.400 -1.415) 6.752 8.032 ( -0.566 -2.472 0.879) 2.684 8.058 ( -2.696 1.326 -5.252) 6.051 8.178 ( -3.306 1.028 0.704) 3.533 8.258 ( -3.415 -1.944 -1.653) 4.263 8.297 ( 0.565 -4.167 -4.715) 6.318 8.508 ( 6.181 3.299 4.173) 8.155 8.562 ( 4.487 0.546 6.515) 7.930 8.665 ( 7.749 2.901 1.865) 8.482 8.717 ( 0.594 0.604 -1.581) 1.794 8.787 ( -2.910 4.072 -1.804) 5.320 8.866 ( 2.737 1.432 0.251) 3.099 9.013 ( -0.177 3.091 -0.508) 3.137 9.125 ( -3.828 0.508 2.769) 4.752 9.290 ( -2.185 1.573 -2.768) 3.861 9.398 ( -3.423 -2.251 -5.510) 6.866 9.563 ( 5.289 4.282 -1.021) 6.882 9.712 ( -2.080 -1.860 0.465) 2.829 10.258 ( -3.104 0.361 4.415) 5.409 10.303 ( 0.211 -1.039 4.675) 4.794 10.328 ( 1.399 4.977 -2.181) 5.611 10.539 ( 0.186 -3.299 -3.310) 4.677 11.227 ( -5.831 7.029 10.906) 14.225 11.470 ( 1.160 -2.327 -0.382) 2.628 11.781 ( 0.829 1.638 -1.097) 2.139 12.013 ( 4.212 -7.910 -8.351) 12.250 12.430 ( -0.271 3.038 3.799) 4.873 12.608 ( 0.426 0.771 -3.045) 3.170 12.750 ( -2.025 -0.188 8.691) 8.925 13.123 ( 2.195 -11.451 -4.196) 12.391 15.266 ( 1.962 3.198 -3.518) 5.143 15.283 ( -1.002 1.268 -2.129) 2.672 15.999 ( 0.046 0.997 2.744) 2.920 16.035 ( 1.773 0.645 0.238) 1.902 16.902 ( -1.404 1.192 4.882) 5.218 16.958 ( -3.480 -1.901 6.795) 7.867 17.134 ( -0.207 2.814 -3.691) 4.646 17.213 ( 2.336 -0.912 -3.547) 4.344 17.344 ( 0.892 -0.660 -0.512) 1.222 17.387 ( -1.811 -2.661 -1.666) 3.624 17.498 ( 0.182 0.170 3.077) 3.087 17.594 ( -0.227 -3.560 0.311) 3.581 17.891 ( 1.307 -1.703 0.585) 2.225 17.908 ( 0.334 -2.341 0.764) 2.485 17.937 ( 0.432 1.794 0.703) 1.974 17.999 ( -0.733 -1.637 -1.242) 2.182 18.214 ( -1.253 1.878 1.663) 2.804 18.349 ( -0.260 -2.805 -2.177) 3.560 18.427 ( -0.697 -1.867 0.847) 2.165 18.510 ( 1.202 -4.439 -3.158) 5.579 20.685 ( 0.080 -0.202 0.513) 0.557 20.688 ( 0.169 -0.698 0.701) 1.004 20.804 ( -0.208 -0.788 -1.001) 1.291 20.817 ( -0.550 -1.560 -1.529) 2.252 21.537 ( -1.218 0.934 1.628) 2.238 21.545 ( -0.741 0.457 1.174) 1.461 21.590 ( 0.526 0.799 -1.362) 1.664 21.601 ( 0.488 0.523 -1.566) 1.721 27.231 ( -0.602 1.002 1.013) 1.546 27.267 ( 0.239 -0.453 0.089) 0.519 27.284 ( 0.141 0.115 -0.247) 0.307 27.308 ( 0.208 -0.793 -0.531) 0.977 27.651 ( -0.369 1.179 0.918) 1.539 27.662 ( -0.404 0.849 0.759) 1.208 27.719 ( -0.439 0.748 -0.082) 0.871 27.731 ( 0.355 0.409 -0.681) 0.870 35.182 ( 3.383 2.852 2.173) 4.929 35.309 ( -3.076 -2.755 1.676) 4.457 35.525 ( 7.585 1.141 -3.148) 8.291 35.632 ( 1.135 -3.341 -2.874) 4.550 35.909 ( -4.148 2.976 3.669) 6.286 36.040 ( -1.379 -2.170 1.480) 2.967 36.344 ( -3.074 3.967 1.635) 5.278 36.605 ( 3.826 -6.421 -8.632) 11.418 39.364 ( -1.950 1.925 7.414) 7.904 39.435 ( -1.299 -1.221 4.805) 5.126 39.565 ( -2.180 -4.441 -1.561) 5.188 39.622 ( 2.876 -6.308 -1.773) 7.156 40.606 ( 0.931 9.704 0.654) 9.771 40.769 ( -7.757 0.983 0.276) 7.824 40.938 ( 4.261 2.571 3.264) 5.952 41.238 ( 3.965 -7.224 -7.538) 11.168 ======================= Grid point 108 (59/80) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -1.766 17.176 7.541) 18.841 2.177 ( -0.819 8.413 -0.492) 8.467 2.507 ( -0.048 1.214 3.020) 3.255 2.731 ( -7.118 18.692 1.200) 20.038 2.833 ( -2.996 7.019 -4.276) 8.748 2.995 ( 0.020 -7.686 -0.165) 7.688 3.079 ( 3.267 6.178 -1.464) 7.141 3.102 ( 2.090 -7.753 1.697) 8.207 3.307 ( 3.269 -1.305 -2.874) 4.545 3.353 ( 4.691 7.282 -3.977) 9.532 3.481 ( -1.034 -7.821 -0.177) 7.891 3.610 ( 0.600 1.386 -2.429) 2.860 3.664 ( 0.939 7.829 4.312) 8.988 3.800 ( 1.470 4.603 -0.547) 4.863 3.855 ( -4.026 3.234 -1.344) 5.336 3.879 ( 4.005 1.651 2.918) 5.223 3.968 ( -3.774 11.058 3.667) 12.247 4.067 ( 4.815 9.363 3.968) 11.251 4.126 ( -2.523 -1.073 -0.159) 2.746 4.251 ( -1.885 2.247 -1.427) 3.262 4.300 ( -2.137 -2.636 -3.618) 4.961 4.321 ( 0.855 -2.654 -2.379) 3.665 4.424 ( -6.465 -3.390 -0.755) 7.339 4.561 ( 5.707 -5.782 0.562) 8.144 4.611 ( 0.058 4.301 -2.165) 4.816 4.689 ( 0.509 0.298 1.459) 1.574 4.751 ( 3.026 0.804 -1.507) 3.475 4.827 ( -0.120 0.781 -1.892) 2.051 4.948 ( -7.955 11.715 4.369) 14.819 4.989 ( -5.609 1.132 0.786) 5.776 5.100 ( -1.263 -4.418 -2.211) 5.099 5.183 ( -4.536 4.955 2.269) 7.090 5.339 ( 3.789 0.084 -0.783) 3.870 5.368 ( 2.473 0.370 -0.073) 2.502 5.438 ( -4.287 -1.214 0.831) 4.532 5.485 ( 2.124 -0.391 4.177) 4.702 5.540 ( 4.190 1.102 3.081) 5.316 5.603 ( -1.607 -0.604 -3.990) 4.344 5.674 ( 3.838 -0.554 -0.543) 3.915 5.764 ( 1.674 -1.301 2.759) 3.479 5.785 ( -1.552 -2.000 -0.244) 2.543 5.880 ( 1.739 1.711 -0.693) 2.536 5.930 ( -0.168 -1.639 -0.184) 1.658 6.094 ( -1.289 -5.304 -3.061) 6.258 6.162 ( -0.697 0.981 -3.415) 3.621 6.205 ( -2.168 -0.653 4.177) 4.751 6.240 ( 6.290 0.590 -3.010) 6.998 6.334 ( -0.775 0.111 -1.385) 1.591 6.348 ( 2.246 1.197 5.939) 6.461 6.504 ( 1.258 -4.106 0.792) 4.367 6.522 ( -0.965 1.746 1.956) 2.794 6.647 ( -0.105 2.736 -1.850) 3.304 6.665 ( 1.939 -4.883 -2.949) 6.025 6.714 ( -2.165 0.695 -4.520) 5.059 6.832 ( -0.327 5.713 1.464) 5.906 6.893 ( -1.187 2.383 0.652) 2.741 6.982 ( -0.772 2.616 3.362) 4.329 7.028 ( -2.410 0.195 3.829) 4.529 7.122 ( -0.124 -3.987 -0.006) 3.989 7.142 ( -3.345 -1.523 0.576) 3.720 7.168 ( -2.796 -4.845 -1.444) 5.777 7.183 ( 2.491 2.174 2.471) 4.127 7.269 ( -1.086 -0.654 4.641) 4.811 7.313 ( -2.695 -1.315 1.876) 3.537 7.404 ( -0.453 4.982 -4.070) 6.449 7.446 ( -0.871 6.707 -3.208) 7.485 7.503 ( 4.549 0.097 -1.422) 4.767 7.608 ( 2.807 -3.051 -2.203) 4.695 7.635 ( 0.827 -1.511 -0.058) 1.723 7.664 ( 0.007 -0.966 0.469) 1.074 7.704 ( 3.439 4.179 5.770) 7.911 7.791 ( -1.942 -2.778 -0.440) 3.418 7.813 ( -4.824 -4.829 1.746) 7.046 7.886 ( -1.404 0.658 -6.020) 6.217 7.948 ( -2.057 -3.366 -2.565) 4.705 7.992 ( 2.453 -0.288 -3.951) 4.660 8.032 ( -1.940 -0.436 -0.445) 2.038 8.158 ( 6.442 -4.105 -0.262) 7.643 8.251 ( 0.568 -1.765 0.651) 1.965 8.264 ( -1.827 -6.351 -0.844) 6.662 8.551 ( -4.637 0.193 2.283) 5.172 8.586 ( -1.118 -0.925 -0.715) 1.618 8.692 ( -7.019 2.426 1.615) 7.600 8.723 ( 1.056 6.086 -2.565) 6.688 8.772 ( -1.679 4.901 1.147) 5.306 8.969 ( 10.521 5.069 0.545) 11.691 9.047 ( -2.577 0.101 -0.807) 2.702 9.145 ( 8.062 -0.918 1.206) 8.203 9.250 ( -0.225 -0.034 -0.630) 0.670 9.315 ( -0.236 -1.435 -4.225) 4.469 9.606 ( -3.632 2.988 -1.008) 4.810 9.673 ( 2.041 -0.164 -0.355) 2.078 10.232 ( -2.677 0.748 2.796) 3.943 10.333 ( 0.877 -0.631 0.152) 1.091 10.401 ( 3.594 1.231 3.751) 5.339 10.492 ( -1.001 -1.446 -3.950) 4.324 11.207 ( -6.278 7.795 8.979) 13.446 11.507 ( 1.684 -4.136 1.082) 4.595 11.800 ( 2.439 2.067 -1.442) 3.507 12.010 ( 4.134 -6.506 -7.919) 11.051 12.452 ( -0.449 3.370 1.425) 3.686 12.596 ( 2.027 2.402 -3.681) 4.840 12.822 ( -1.079 -3.861 9.931) 10.710 13.107 ( 1.508 -10.974 -5.633) 12.427 15.235 ( -1.270 3.569 -2.118) 4.340 15.295 ( 4.087 1.571 -2.932) 5.269 16.017 ( -0.696 1.187 1.680) 2.171 16.069 ( 1.441 -0.099 -0.532) 1.539 16.939 ( -0.961 0.650 5.844) 5.958 16.965 ( -2.666 -0.971 6.387) 6.989 17.096 ( 0.219 3.034 -3.592) 4.707 17.214 ( 2.508 -1.696 -4.661) 5.558 17.331 ( -2.049 -1.111 -0.324) 2.354 17.368 ( 1.142 -2.424 -0.374) 2.706 17.540 ( 0.612 -0.734 3.089) 3.234 17.582 ( -0.352 -2.205 -0.661) 2.329 17.880 ( -2.261 -1.168 0.546) 2.603 17.925 ( -0.174 -3.140 0.947) 3.284 17.956 ( -0.002 1.417 -0.018) 1.418 17.998 ( 2.774 -0.837 -1.554) 3.288 18.230 ( 0.472 0.205 2.818) 2.865 18.308 ( -1.163 -2.419 -2.583) 3.726 18.415 ( -1.267 -1.221 0.711) 1.898 18.506 ( 1.521 -4.209 -2.410) 5.083 20.687 ( -0.546 -0.265 0.577) 0.838 20.700 ( 0.267 -1.011 0.553) 1.183 20.792 ( -0.228 -0.592 -1.105) 1.274 20.798 ( 0.558 -0.734 -0.783) 1.210 21.531 ( -1.041 0.851 1.514) 2.025 21.541 ( -0.886 0.392 1.270) 1.597 21.589 ( 0.738 1.023 -1.179) 1.727 21.607 ( 1.676 0.367 -1.547) 2.310 27.234 ( -0.248 0.807 1.033) 1.334 27.270 ( -0.006 -0.508 -0.085) 0.515 27.283 ( -0.042 0.154 -0.237) 0.285 27.309 ( 0.431 -0.576 -0.533) 0.896 27.654 ( -0.278 1.145 0.798) 1.423 27.669 ( 0.221 0.621 0.811) 1.045 27.708 ( -0.539 1.107 -0.132) 1.239 27.733 ( 0.426 0.261 -0.525) 0.725 35.207 ( -4.744 1.896 1.969) 5.475 35.293 ( 1.736 -1.319 1.618) 2.715 35.530 ( -5.083 0.294 -3.990) 6.469 35.634 ( 3.343 -3.172 -3.072) 5.539 35.897 ( -1.815 3.069 5.169) 6.279 36.027 ( -2.014 -2.453 2.282) 3.909 36.324 ( -0.197 4.722 1.496) 4.958 36.602 ( 5.103 -6.826 -8.519) 12.050 39.396 ( -2.437 0.296 7.059) 7.474 39.433 ( -4.989 -1.658 4.822) 7.134 39.539 ( 1.384 -0.617 -1.582) 2.190 39.681 ( 6.411 -6.843 -3.454) 9.993 40.594 ( -6.897 4.642 0.692) 8.343 40.698 ( 2.531 3.834 3.280) 5.645 40.998 ( -0.901 1.636 1.299) 2.275 41.244 ( 4.979 -6.014 -7.949) 11.142 ======================= Grid point 109 (60/80) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 1.248 20.845 11.960) 24.065 2.213 ( 2.727 13.126 4.846) 14.255 2.469 ( -6.573 4.633 6.324) 10.230 2.639 ( -6.457 7.675 4.339) 10.928 2.755 ( 4.344 7.406 -14.211) 16.604 2.979 ( -0.905 -2.885 -0.915) 3.159 3.068 ( -0.402 -2.224 -1.810) 2.896 3.194 ( -0.975 0.679 1.279) 1.745 3.288 ( 2.216 -2.633 -3.636) 5.006 3.394 ( 5.653 3.412 -1.979) 6.893 3.459 ( 2.917 -9.227 -5.138) 10.957 3.605 ( -0.076 -2.497 1.539) 2.934 3.757 ( -1.125 7.163 1.174) 7.345 3.833 ( 3.946 13.278 -3.652) 14.326 3.846 ( 0.874 4.261 2.745) 5.144 3.937 ( 2.022 3.950 4.866) 6.586 4.013 ( 3.515 0.386 3.429) 4.926 4.074 ( 0.783 10.970 3.444) 11.524 4.175 ( -4.051 -2.822 -1.086) 5.055 4.208 ( -1.228 5.960 5.847) 8.439 4.275 ( 0.232 2.541 0.760) 2.663 4.336 ( 1.433 4.259 5.342) 6.981 4.411 ( 2.347 -3.893 0.758) 4.609 4.614 ( 2.234 1.868 -3.949) 4.907 4.671 ( 0.742 -2.022 1.320) 2.526 4.711 ( -0.682 0.399 2.184) 2.323 4.740 ( -0.848 2.454 3.748) 4.560 4.823 ( 2.505 -1.205 -4.002) 4.873 4.833 ( -4.416 2.141 0.024) 4.908 4.894 ( -3.838 6.201 0.319) 7.299 5.016 ( -3.134 0.155 -2.416) 3.960 5.064 ( -9.082 0.045 0.121) 9.082 5.250 ( -3.726 -6.490 -3.877) 8.428 5.403 ( -0.336 1.674 2.082) 2.692 5.458 ( 1.091 4.406 -2.725) 5.295 5.478 ( -0.813 1.109 1.877) 2.326 5.601 ( -3.722 -2.796 -3.635) 5.907 5.647 ( 3.000 -1.948 3.610) 5.082 5.750 ( 5.592 -1.192 -1.091) 5.821 5.792 ( 5.829 -0.123 0.365) 5.842 5.832 ( 3.562 -2.395 0.099) 4.294 5.909 ( 0.427 0.327 -4.239) 4.273 5.915 ( -0.592 -7.510 1.180) 7.625 6.032 ( -4.296 -3.686 -1.829) 5.949 6.076 ( -5.709 3.358 -5.109) 8.365 6.107 ( -2.261 0.433 -2.323) 3.271 6.257 ( -4.601 0.490 1.097) 4.755 6.359 ( 4.056 2.712 -1.841) 5.215 6.423 ( 2.547 -0.957 -0.835) 2.846 6.550 ( 0.017 2.739 3.724) 4.623 6.562 ( 4.084 -3.328 1.167) 5.396 6.622 ( 1.665 -2.908 0.704) 3.425 6.643 ( 0.606 -4.964 -0.531) 5.029 6.735 ( 3.877 -5.163 -1.842) 6.714 6.820 ( -3.787 4.586 2.795) 6.571 6.915 ( 0.785 1.117 -2.929) 3.232 6.988 ( 3.170 4.880 -0.918) 5.891 7.010 ( -3.293 -0.219 -0.165) 3.305 7.054 ( -2.259 2.801 2.118) 4.175 7.111 ( -2.597 -4.786 1.998) 5.801 7.133 ( -2.060 -0.246 4.588) 5.035 7.231 ( -2.101 1.805 2.889) 4.002 7.280 ( -0.927 3.212 3.753) 5.026 7.345 ( 1.641 -2.362 0.419) 2.907 7.379 ( -0.024 1.144 1.137) 1.613 7.432 ( 2.951 6.902 -2.698) 7.977 7.537 ( -1.027 -2.019 0.445) 2.309 7.614 ( 0.122 -0.234 -1.034) 1.067 7.652 ( 1.665 0.157 -2.294) 2.839 7.671 ( -0.908 -2.528 0.814) 2.807 7.727 ( -3.345 -1.958 0.316) 3.889 7.774 ( 2.460 -2.019 -1.805) 3.658 7.794 ( 0.432 1.881 1.260) 2.305 7.877 ( 2.089 -3.133 0.629) 3.818 7.897 ( 0.691 -1.061 3.169) 3.413 7.982 ( -2.055 -0.273 3.689) 4.232 8.092 ( 4.985 4.642 -3.269) 7.555 8.188 ( -5.669 -2.921 2.788) 6.960 8.202 ( 0.009 -2.336 -1.419) 2.733 8.288 ( -1.576 -1.078 1.746) 2.587 8.475 ( -5.587 0.873 1.760) 5.923 8.568 ( -0.709 1.091 -4.782) 4.956 8.600 ( 1.911 -1.594 -0.477) 2.534 8.680 ( -3.975 -2.083 -4.035) 6.035 8.769 ( 4.688 4.006 0.581) 6.194 8.965 ( -1.453 -4.769 -4.712) 6.860 9.116 ( 2.066 5.477 -3.247) 6.693 9.277 ( 3.868 1.374 2.137) 4.628 9.296 ( -0.345 -0.994 0.274) 1.087 9.306 ( 4.914 -0.589 2.957) 5.766 9.518 ( -0.173 6.135 -3.757) 7.196 9.706 ( -0.441 -0.484 1.387) 1.534 10.224 ( -1.159 1.133 2.974) 3.387 10.350 ( -0.200 -1.333 1.458) 1.986 10.431 ( -0.961 1.328 -4.212) 4.520 10.485 ( 2.568 -1.982 0.443) 3.274 11.185 ( -5.068 8.443 8.715) 13.150 11.529 ( -1.078 -6.142 1.871) 6.511 11.833 ( 3.396 3.066 -4.247) 6.242 12.011 ( 4.067 -5.108 -7.729) 10.117 12.439 ( -2.112 5.335 1.256) 5.874 12.610 ( 3.592 3.106 -4.763) 6.726 12.871 ( -3.432 -6.944 7.274) 10.626 13.079 ( 2.012 -10.001 -6.222) 11.950 15.210 ( 0.532 4.924 -0.702) 5.002 15.345 ( 3.798 -0.521 -3.249) 5.025 16.004 ( -1.453 1.411 0.155) 2.031 16.068 ( 0.049 -0.901 -2.378) 2.544 16.952 ( -2.919 0.600 4.649) 5.522 16.985 ( -2.017 -0.461 4.666) 5.105 17.083 ( 1.928 2.799 -2.259) 4.082 17.211 ( 1.421 -2.152 -3.926) 4.697 17.323 ( 0.784 0.462 1.516) 1.768 17.386 ( 1.126 -2.595 0.211) 2.837 17.552 ( -2.117 -1.363 0.553) 2.578 17.575 ( 0.478 -2.977 -0.900) 3.147 17.848 ( -1.231 -0.394 0.651) 1.447 17.910 ( -1.561 -2.622 0.270) 3.064 17.956 ( -0.742 1.462 1.318) 2.103 18.035 ( 2.660 -2.503 -2.557) 4.458 18.260 ( -0.396 -0.644 0.996) 1.250 18.289 ( 1.017 -1.622 1.015) 2.167 18.402 ( -0.752 -0.433 1.035) 1.350 18.515 ( 1.513 -4.759 -2.313) 5.504 20.679 ( -0.596 -0.012 0.249) 0.646 20.700 ( -0.388 -1.195 -0.239) 1.279 20.791 ( 0.503 -0.643 0.434) 0.925 20.814 ( 1.357 -1.405 -0.142) 1.959 21.530 ( -0.615 0.728 1.519) 1.793 21.540 ( -0.773 0.425 1.602) 1.829 21.593 ( 0.764 1.218 -0.974) 1.737 21.626 ( 1.851 -0.126 -1.832) 2.607 27.240 ( -0.071 0.408 0.808) 0.908 27.263 ( -0.702 -0.612 0.295) 0.977 27.283 ( 0.620 0.688 -0.650) 1.132 27.310 ( 0.180 -0.372 -0.529) 0.672 27.656 ( -0.239 1.382 0.598) 1.524 27.679 ( 0.127 0.760 0.166) 0.788 27.701 ( -0.104 0.985 0.494) 1.107 27.736 ( 0.320 0.020 -0.298) 0.438 35.142 ( -2.088 2.442 0.541) 3.258 35.277 ( -6.626 -3.630 0.276) 7.560 35.429 ( -0.146 4.440 -0.232) 4.449 35.608 ( -2.792 -2.926 -1.578) 4.341 35.933 ( -0.001 1.413 4.132) 4.367 36.027 ( 0.383 -2.341 1.695) 2.915 36.359 ( 1.347 4.934 1.909) 5.459 36.621 ( 4.763 -6.454 -7.414) 10.923 39.373 ( -4.833 0.189 3.943) 6.240 39.418 ( -2.216 -1.946 5.942) 6.634 39.545 ( 1.021 0.719 -2.468) 2.766 39.766 ( 5.137 -9.989 -4.821) 12.223 40.496 ( -3.429 8.966 3.096) 10.086 40.805 ( 1.211 -3.601 8.077) 8.926 40.941 ( -2.603 7.344 -4.158) 8.832 41.258 ( 4.503 -5.841 -8.112) 10.963 ======================= Grid point 110 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -4.680 -5.106 1.390) 7.064 2.370 ( -4.680 5.106 1.390) 7.064 2.644 ( -2.709 -9.992 3.760) 11.015 2.644 ( -2.709 9.992 3.760) 11.015 2.855 ( 3.123 -12.266 0.141) 12.658 2.855 ( 3.123 12.266 0.141) 12.658 3.180 ( 4.363 -10.013 -1.761) 11.063 3.180 ( 4.363 10.013 -1.761) 11.063 3.273 ( 1.346 -5.469 2.294) 6.082 3.273 ( 1.346 5.469 2.294) 6.082 3.540 ( 1.197 -5.303 -3.324) 6.372 3.540 ( 1.197 5.303 -3.324) 6.372 3.863 ( -7.118 -7.499 -3.093) 10.792 3.863 ( -7.118 7.499 -3.093) 10.792 3.977 ( 5.444 -4.523 -0.277) 7.083 3.977 ( 5.444 4.523 -0.277) 7.083 4.070 ( -0.492 -0.645 6.781) 6.829 4.070 ( -0.492 0.645 6.781) 6.829 4.298 ( 1.393 -3.245 6.954) 7.799 4.298 ( 1.393 3.245 6.954) 7.799 4.402 ( -0.792 -2.403 -0.095) 2.532 4.402 ( -0.792 2.403 -0.095) 2.532 4.584 ( -0.378 -1.965 0.731) 2.130 4.584 ( -0.378 1.965 0.731) 2.130 4.682 ( -1.056 -2.683 -4.342) 5.212 4.682 ( -1.056 2.683 -4.342) 5.212 4.761 ( 0.479 -4.314 0.315) 4.351 4.761 ( 0.479 4.314 0.315) 4.351 4.882 ( 0.858 -1.013 -2.896) 3.186 4.882 ( 0.858 1.013 -2.896) 3.186 5.092 ( 7.865 -5.102 3.668) 10.067 5.092 ( 7.865 5.102 3.668) 10.067 5.212 ( -5.779 -15.083 1.588) 16.230 5.212 ( -5.779 15.083 1.588) 16.230 5.431 ( -2.189 -0.901 0.040) 2.368 5.431 ( -2.189 0.901 0.040) 2.368 5.584 ( -3.633 -5.916 0.280) 6.948 5.584 ( -3.633 5.916 0.280) 6.948 5.682 ( 0.129 -1.276 -0.897) 1.565 5.682 ( 0.129 1.276 -0.897) 1.565 5.849 ( -4.196 -2.028 -0.598) 4.699 5.849 ( -4.196 2.028 -0.598) 4.699 5.972 ( 0.323 -2.383 -1.461) 2.814 5.972 ( 0.323 2.383 -1.461) 2.814 6.069 ( 6.171 -2.037 -6.553) 9.229 6.069 ( 6.171 2.037 -6.553) 9.229 6.312 ( -0.386 -8.209 2.934) 8.726 6.312 ( -0.386 8.209 2.934) 8.726 6.522 ( 0.192 -3.362 -1.157) 3.561 6.522 ( 0.192 3.362 -1.157) 3.561 6.582 ( 1.668 -7.529 -3.658) 8.535 6.582 ( 1.668 7.529 -3.658) 8.535 6.709 ( 2.345 -1.136 3.477) 4.345 6.709 ( 2.345 1.136 3.477) 4.345 6.848 ( -2.123 -2.413 -3.499) 4.751 6.848 ( -2.123 2.413 -3.499) 4.751 7.011 ( 3.301 -1.732 4.964) 6.208 7.011 ( 3.301 1.732 4.964) 6.208 7.082 ( -2.637 -3.461 0.922) 4.447 7.082 ( -2.637 3.461 0.922) 4.447 7.140 ( -4.205 -3.173 -0.425) 5.285 7.140 ( -4.205 3.173 -0.425) 5.285 7.358 ( -3.469 -1.176 5.543) 6.644 7.358 ( -3.469 1.176 5.543) 6.644 7.475 ( 4.620 -2.668 1.483) 5.538 7.475 ( 4.620 2.668 1.483) 5.538 7.595 ( 2.058 -4.894 -3.442) 6.327 7.595 ( 2.058 4.894 -3.442) 6.327 7.615 ( -1.148 -0.581 1.855) 2.257 7.615 ( -1.148 0.581 1.855) 2.257 7.721 ( -0.829 -4.436 -1.882) 4.889 7.721 ( -0.829 4.436 -1.882) 4.889 7.894 ( -0.316 -2.150 1.444) 2.609 7.894 ( -0.316 2.150 1.444) 2.609 7.982 ( 3.151 -1.600 1.993) 4.057 7.982 ( 3.151 1.600 1.993) 4.057 8.114 ( 2.867 -2.631 -1.874) 4.319 8.114 ( 2.867 2.631 -1.874) 4.319 8.218 ( -3.754 -0.661 2.735) 4.691 8.218 ( -3.754 0.661 2.735) 4.691 8.472 ( -2.861 -2.994 -2.230) 4.703 8.472 ( -2.861 2.994 -2.230) 4.703 8.582 ( 1.947 -3.072 -3.351) 4.945 8.582 ( 1.947 3.072 -3.351) 4.945 8.910 ( 2.794 -4.081 2.010) 5.339 8.910 ( 2.794 4.081 2.010) 5.339 9.129 ( -3.255 -3.824 -4.032) 6.440 9.129 ( -3.255 3.824 -4.032) 6.440 9.446 ( 3.794 -2.143 3.655) 5.688 9.446 ( 3.794 2.143 3.655) 5.688 9.621 ( -0.513 -3.550 -3.121) 4.755 9.621 ( -0.513 3.550 -3.121) 4.755 10.279 ( -2.559 -3.038 4.280) 5.839 10.279 ( -2.559 3.038 4.280) 5.839 10.454 ( 1.626 -3.413 -3.605) 5.223 10.454 ( 1.626 3.413 -3.605) 5.223 11.364 ( -3.600 -8.502 6.923) 11.540 11.364 ( -3.600 8.502 6.923) 11.540 11.908 ( 3.206 -4.641 -8.477) 10.182 11.908 ( 3.206 4.641 -8.477) 10.182 12.550 ( -3.434 -7.573 3.329) 8.957 12.550 ( -3.434 7.573 3.329) 8.957 12.882 ( 2.394 -8.536 -4.781) 10.072 12.882 ( 2.394 8.536 -4.781) 10.072 15.315 ( 0.945 -3.302 -0.827) 3.533 15.315 ( 0.945 3.302 -0.827) 3.533 16.009 ( -0.496 -1.649 -1.473) 2.266 16.009 ( -0.496 1.649 -1.473) 2.266 16.957 ( -3.571 -1.455 4.356) 5.817 16.957 ( -3.571 1.455 4.356) 5.817 17.162 ( 2.571 -2.462 -3.088) 4.713 17.162 ( 2.571 2.462 -3.088) 4.713 17.384 ( 1.226 -1.433 1.742) 2.567 17.384 ( 1.226 1.433 1.742) 2.567 17.500 ( -1.438 -1.764 -1.354) 2.648 17.500 ( -1.438 1.764 -1.354) 2.648 17.852 ( -0.507 -0.922 1.020) 1.466 17.852 ( -0.507 0.922 1.020) 1.466 17.987 ( -0.178 -2.366 -0.678) 2.468 17.987 ( -0.178 2.366 -0.678) 2.468 18.283 ( -0.371 -1.878 2.226) 2.935 18.283 ( -0.371 1.878 2.226) 2.935 18.438 ( 1.277 -2.773 -1.747) 3.518 18.438 ( 1.277 2.773 -1.747) 3.518 20.678 ( -0.194 -0.341 0.019) 0.393 20.678 ( -0.194 0.341 0.019) 0.393 20.803 ( 0.527 -0.722 -0.083) 0.897 20.803 ( 0.527 0.722 -0.083) 0.897 21.546 ( -0.571 -0.190 1.734) 1.836 21.546 ( -0.571 0.190 1.734) 1.836 21.618 ( 0.607 -0.969 -1.483) 1.872 21.618 ( 0.607 0.969 -1.483) 1.872 27.250 ( -0.346 -0.280 0.604) 0.751 27.250 ( -0.346 0.280 0.604) 0.751 27.299 ( 0.259 -0.462 -0.644) 0.834 27.299 ( 0.259 0.462 -0.644) 0.834 27.680 ( -0.568 -0.706 0.705) 1.148 27.680 ( -0.568 0.706 0.705) 1.148 27.727 ( 0.351 -0.891 -0.262) 0.993 27.727 ( 0.351 0.891 -0.262) 0.993 35.168 ( -0.706 -0.764 0.630) 1.217 35.168 ( -0.706 0.764 0.630) 1.217 35.498 ( 0.530 -2.686 -0.817) 2.857 35.498 ( 0.530 2.686 -0.817) 2.857 36.005 ( -0.792 -2.640 3.482) 4.440 36.005 ( -0.792 2.640 3.482) 4.440 36.501 ( 2.027 -6.211 -3.501) 7.412 36.501 ( 2.027 6.211 -3.501) 7.412 39.379 ( -2.426 -2.572 4.827) 5.983 39.379 ( -2.426 2.572 4.827) 5.983 39.586 ( -0.168 -5.160 -3.937) 6.492 39.586 ( -0.168 5.160 -3.937) 6.492 40.716 ( -1.223 -7.535 8.301) 11.277 40.716 ( -1.223 7.535 8.301) 11.277 41.089 ( 2.458 -9.396 -8.574) 12.956 41.089 ( 2.458 9.396 -8.574) 12.956 ======================= Grid point 112 (62/80) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.785 -5.875 3.544) 9.650 2.270 ( -6.785 5.875 3.544) 9.650 2.636 ( -1.639 -9.879 2.853) 10.412 2.636 ( -1.639 9.879 2.853) 10.412 2.957 ( 6.807 -7.725 -0.978) 10.343 2.957 ( 6.807 7.725 -0.978) 10.343 3.222 ( 0.589 -5.525 0.650) 5.594 3.222 ( 0.589 5.525 0.650) 5.594 3.307 ( 1.253 -6.056 -3.678) 7.195 3.307 ( 1.253 6.056 -3.678) 7.195 3.518 ( 0.471 -3.159 -5.099) 6.017 3.518 ( 0.471 3.159 -5.099) 6.017 3.723 ( -4.629 -8.537 3.138) 10.206 3.723 ( -4.629 8.537 3.138) 10.206 3.999 ( -0.430 -6.010 0.485) 6.045 3.999 ( -0.430 6.010 0.485) 6.045 4.147 ( -4.662 -0.615 5.948) 7.582 4.147 ( -4.662 0.615 5.948) 7.582 4.266 ( -3.930 -3.062 -3.019) 5.825 4.266 ( -3.930 3.062 -3.019) 5.825 4.377 ( -0.690 -5.850 -0.556) 5.916 4.377 ( -0.690 5.850 -0.556) 5.916 4.599 ( -1.893 -1.853 1.580) 3.085 4.599 ( -1.893 1.853 1.580) 3.085 4.675 ( 5.518 -5.407 -3.516) 8.488 4.675 ( 5.518 5.407 -3.516) 8.488 4.769 ( 2.837 -3.499 2.024) 4.939 4.769 ( 2.837 3.499 2.024) 4.939 4.905 ( -0.522 -8.682 -3.481) 9.368 4.905 ( -0.522 8.682 -3.481) 9.368 5.103 ( 0.199 -1.413 -1.619) 2.159 5.103 ( 0.199 1.413 -1.619) 2.159 5.300 ( 3.555 -13.104 3.351) 13.985 5.300 ( 3.555 13.104 3.351) 13.985 5.474 ( 4.566 -2.147 3.789) 6.310 5.474 ( 4.566 2.147 3.789) 6.310 5.501 ( -3.068 -4.125 2.228) 5.603 5.501 ( -3.068 4.125 2.228) 5.603 5.696 ( -0.761 -3.875 1.011) 4.077 5.696 ( -0.761 3.875 1.011) 4.077 5.776 ( -0.790 -1.908 0.020) 2.065 5.776 ( -0.790 1.908 0.020) 2.065 6.008 ( 4.249 -2.093 0.047) 4.737 6.008 ( 4.249 2.093 0.047) 4.737 6.104 ( 3.676 -1.976 -6.607) 7.815 6.104 ( 3.676 1.976 -6.607) 7.815 6.314 ( -5.649 -9.742 2.644) 11.567 6.314 ( -5.649 9.742 2.644) 11.567 6.462 ( 0.386 -5.036 -5.271) 7.300 6.462 ( 0.386 5.036 -5.271) 7.300 6.581 ( 0.141 -2.850 0.455) 2.889 6.581 ( 0.141 2.850 0.455) 2.889 6.703 ( -2.904 -1.714 -0.781) 3.462 6.703 ( -2.904 1.714 -0.781) 3.462 6.867 ( 2.526 -2.394 1.407) 3.754 6.867 ( 2.526 2.394 1.407) 3.754 7.009 ( -3.731 -4.286 2.896) 6.377 7.009 ( -3.731 4.286 2.896) 6.377 7.101 ( 2.511 -5.631 -2.343) 6.595 7.101 ( 2.511 5.631 -2.343) 6.595 7.154 ( 3.839 -2.724 2.756) 5.455 7.154 ( 3.839 2.724 2.756) 5.455 7.311 ( -5.522 -1.318 5.692) 8.040 7.311 ( -5.522 1.318 5.692) 8.040 7.509 ( -2.919 -3.104 -1.977) 4.698 7.509 ( -2.919 3.104 -1.977) 4.698 7.572 ( -1.471 -2.348 -0.684) 2.854 7.572 ( -1.471 2.348 -0.684) 2.854 7.647 ( 3.400 -4.911 -0.918) 6.043 7.647 ( 3.400 4.911 -0.918) 6.043 7.740 ( 4.728 -4.515 -1.153) 6.638 7.740 ( 4.728 4.515 -1.153) 6.638 7.849 ( -3.173 -2.156 -2.621) 4.645 7.849 ( -3.173 2.156 -2.621) 4.645 7.998 ( -2.393 -3.224 1.206) 4.192 7.998 ( -2.393 3.224 1.206) 4.192 8.152 ( 1.641 -2.597 -2.328) 3.854 8.152 ( 1.641 2.597 -2.328) 3.854 8.288 ( 3.805 -0.675 3.929) 5.511 8.288 ( 3.805 0.675 3.929) 5.511 8.434 ( 0.654 -0.252 1.469) 1.628 8.434 ( 0.654 0.252 1.469) 1.628 8.582 ( 3.817 -1.577 -3.133) 5.184 8.582 ( 3.817 1.577 -3.133) 5.184 8.926 ( -2.897 -2.034 -2.262) 4.201 8.926 ( -2.897 2.034 -2.262) 4.201 9.073 ( 0.288 -1.274 1.696) 2.141 9.073 ( 0.288 1.274 1.696) 2.141 9.471 ( -2.962 -5.375 -3.556) 7.093 9.471 ( -2.962 5.375 -3.556) 7.093 9.608 ( 2.090 -5.870 0.601) 6.260 9.608 ( 2.090 5.870 0.601) 6.260 10.270 ( -3.023 -1.230 4.925) 5.908 10.270 ( -3.023 1.230 4.925) 5.908 10.451 ( 1.839 -5.314 -3.621) 6.689 10.451 ( 1.839 5.314 -3.621) 6.689 11.364 ( -3.945 -7.166 7.593) 11.161 11.364 ( -3.945 7.166 7.593) 11.161 11.880 ( 2.953 -5.740 -8.217) 10.449 11.880 ( 2.953 5.740 -8.217) 10.449 12.520 ( -3.699 -6.898 5.337) 9.474 12.520 ( -3.699 6.898 5.337) 9.474 12.887 ( 2.793 -10.369 -4.527) 11.654 12.887 ( 2.793 10.369 -4.527) 11.654 15.313 ( 0.007 -1.551 -1.326) 2.040 15.313 ( 0.007 1.551 -1.326) 2.040 16.001 ( 0.553 -1.323 -0.063) 1.435 16.001 ( 0.553 1.323 -0.063) 1.435 16.932 ( -3.624 -1.624 4.924) 6.326 16.932 ( -3.624 1.624 4.924) 6.326 17.183 ( 2.625 -1.204 -3.257) 4.353 17.183 ( 2.625 1.204 -3.257) 4.353 17.384 ( -1.857 -1.933 -0.438) 2.715 17.384 ( -1.857 1.933 -0.438) 2.715 17.495 ( 1.117 -2.823 0.870) 3.158 17.495 ( 1.117 2.823 0.870) 3.158 17.859 ( 0.315 -0.887 0.826) 1.252 17.859 ( 0.315 0.887 0.826) 1.252 17.976 ( -0.366 -2.129 -0.248) 2.175 17.976 ( -0.366 2.129 -0.248) 2.175 18.288 ( -1.078 -3.204 1.495) 3.696 18.288 ( -1.078 3.204 1.495) 3.696 18.443 ( 1.228 -2.316 -2.104) 3.362 18.443 ( 1.228 2.316 -2.104) 3.362 20.677 ( 0.043 -0.138 0.200) 0.247 20.677 ( 0.043 0.138 0.200) 0.247 20.806 ( 0.117 -0.532 -0.577) 0.793 20.806 ( 0.117 0.532 -0.577) 0.793 21.551 ( -0.754 -0.005 1.597) 1.766 21.551 ( -0.754 0.005 1.597) 1.766 21.611 ( 0.244 -0.629 -1.514) 1.658 21.611 ( 0.244 0.629 -1.514) 1.658 27.250 ( -0.297 -0.604 0.699) 0.970 27.250 ( -0.297 0.604 0.699) 0.970 27.296 ( 0.121 -0.540 -0.628) 0.837 27.296 ( 0.121 0.540 -0.628) 0.837 27.673 ( -0.864 -0.486 0.857) 1.311 27.673 ( -0.864 0.486 0.857) 1.311 27.731 ( 0.350 -0.460 -0.425) 0.717 27.731 ( 0.350 0.460 -0.425) 0.717 35.192 ( 2.024 -4.045 1.140) 4.665 35.192 ( 2.024 4.045 1.140) 4.665 35.529 ( 3.295 -3.533 -1.389) 5.027 35.529 ( 3.295 3.533 -1.389) 5.027 36.001 ( -2.774 -2.848 2.982) 4.970 36.001 ( -2.774 2.848 2.982) 4.970 36.492 ( 0.952 -6.311 -3.945) 7.503 36.492 ( 0.952 6.311 -3.945) 7.503 39.387 ( -2.195 -2.677 5.554) 6.545 39.387 ( -2.195 2.677 5.554) 6.545 39.546 ( -0.184 -2.349 -2.487) 3.426 39.546 ( -0.184 2.349 -2.487) 3.426 40.760 ( -2.645 -5.518 6.466) 8.902 40.760 ( -2.645 5.518 6.466) 8.902 41.057 ( 3.408 -10.272 -7.844) 13.366 41.057 ( 3.408 10.272 -7.844) 13.366 ======================= Grid point 114 (63/80) ======================= q-point: (-0.60 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -2.344 -7.389 3.813) 8.639 2.218 ( -2.344 7.389 3.813) 8.639 2.642 ( -0.917 -13.043 3.545) 13.547 2.642 ( -0.917 13.043 3.545) 13.547 3.041 ( 1.721 -2.966 -2.752) 4.397 3.041 ( 1.721 2.966 -2.752) 4.397 3.173 ( -1.280 -2.534 -4.816) 5.591 3.173 ( -1.280 2.534 -4.816) 5.591 3.279 ( -3.074 -6.651 2.462) 7.729 3.279 ( -3.074 6.651 2.462) 7.729 3.501 ( 4.283 -7.162 -5.362) 9.919 3.501 ( 4.283 7.162 -5.362) 9.919 3.755 ( 1.866 -6.951 4.722) 8.608 3.755 ( 1.866 6.951 4.722) 8.608 3.972 ( -6.073 -2.380 -2.753) 7.079 3.972 ( -6.073 2.380 -2.753) 7.079 4.038 ( -3.269 -4.333 5.576) 7.781 4.038 ( -3.269 4.333 5.576) 7.781 4.232 ( 1.276 -6.360 -3.708) 7.472 4.232 ( 1.276 6.360 -3.708) 7.472 4.325 ( 0.419 -6.098 -2.662) 6.667 4.325 ( 0.419 6.098 -2.662) 6.667 4.537 ( -6.989 -0.931 -1.093) 7.135 4.537 ( -6.989 0.931 -1.093) 7.135 4.689 ( 1.335 -1.983 -4.677) 5.253 4.689 ( 1.335 1.983 -4.677) 5.253 4.802 ( -0.204 -4.967 -0.875) 5.048 4.802 ( -0.204 4.967 -0.875) 5.048 4.979 ( 6.416 -3.498 3.709) 8.195 4.979 ( 6.416 3.498 3.709) 8.195 5.161 ( 4.087 -2.595 1.724) 5.139 5.161 ( 4.087 2.595 1.724) 5.139 5.311 ( -1.319 -8.809 1.417) 9.020 5.311 ( -1.319 8.809 1.417) 9.020 5.444 ( -2.819 -3.997 3.404) 5.959 5.444 ( -2.819 3.997 3.404) 5.959 5.631 ( -0.367 -2.627 1.999) 3.321 5.631 ( -0.367 2.627 1.999) 3.321 5.670 ( -0.991 -6.018 1.485) 6.277 5.670 ( -0.991 6.018 1.485) 6.277 5.804 ( 1.972 -3.367 -1.658) 4.240 5.804 ( 1.972 3.367 -1.658) 4.240 6.026 ( 0.574 -4.464 -4.326) 6.243 6.026 ( 0.574 4.464 -4.326) 6.243 6.161 ( 6.639 -1.358 -0.153) 6.779 6.161 ( 6.639 1.358 -0.153) 6.779 6.228 ( -4.188 -3.979 2.248) 6.199 6.228 ( -4.188 3.979 2.248) 6.199 6.426 ( -0.512 -2.020 -2.326) 3.123 6.426 ( -0.512 2.020 -2.326) 3.123 6.621 ( -2.529 -2.252 -2.333) 4.112 6.621 ( -2.529 2.252 -2.333) 4.112 6.651 ( 4.749 -5.682 2.979) 7.982 6.651 ( 4.749 5.682 2.979) 7.982 6.920 ( 0.827 -4.785 1.148) 4.990 6.920 ( 0.827 4.785 1.148) 4.990 6.979 ( -2.412 -5.841 3.732) 7.339 6.979 ( -2.412 5.841 3.732) 7.339 7.108 ( -0.102 -3.649 -0.091) 3.652 7.108 ( -0.102 3.649 -0.091) 3.652 7.193 ( -1.349 -1.578 -0.795) 2.223 7.193 ( -1.349 1.578 -0.795) 2.223 7.310 ( -3.300 -2.986 4.680) 6.458 7.310 ( -3.300 2.986 4.680) 6.458 7.483 ( 3.353 -3.404 -2.523) 5.403 7.483 ( 3.353 3.404 -2.523) 5.403 7.545 ( 0.278 -4.836 0.062) 4.844 7.545 ( 0.278 4.836 0.062) 4.844 7.663 ( -2.412 -3.035 -4.695) 6.088 7.663 ( -2.412 3.035 -4.695) 6.088 7.728 ( 3.843 -6.564 -2.427) 7.984 7.728 ( 3.843 6.564 -2.427) 7.984 7.828 ( -0.291 -3.519 -0.148) 3.534 7.828 ( -0.291 3.519 -0.148) 3.534 7.952 ( -2.504 -2.364 0.965) 3.577 7.952 ( -2.504 2.364 0.965) 3.577 8.128 ( -4.040 -4.015 -1.184) 5.817 8.128 ( -4.040 4.015 -1.184) 5.817 8.253 ( -1.071 -1.415 -5.115) 5.414 8.253 ( -1.071 1.415 -5.115) 5.414 8.556 ( 2.915 -1.349 4.949) 5.900 8.556 ( 2.915 1.349 4.949) 5.900 8.705 ( 5.947 -1.287 1.848) 6.359 8.705 ( 5.947 1.287 1.848) 6.359 8.860 ( 3.392 -2.381 -2.550) 4.866 8.860 ( 3.392 2.381 -2.550) 4.866 9.096 ( -2.394 -3.556 2.445) 4.935 9.096 ( -2.394 3.556 2.445) 4.935 9.339 ( -3.914 -3.390 -5.070) 7.247 9.339 ( -3.914 3.390 -5.070) 7.247 9.652 ( 1.319 -4.155 -0.083) 4.360 9.652 ( 1.319 4.155 -0.083) 4.360 10.266 ( -2.488 -1.005 4.797) 5.497 10.266 ( -2.488 1.005 4.797) 5.497 10.451 ( 1.571 -5.426 -2.858) 6.331 10.451 ( 1.571 5.426 -2.858) 6.331 11.367 ( -3.570 -6.695 7.318) 10.541 11.367 ( -3.570 6.695 7.318) 10.541 11.867 ( 3.698 -6.210 -6.808) 9.929 11.867 ( 3.698 6.210 -6.808) 9.929 12.523 ( -1.965 -5.676 5.585) 8.201 12.523 ( -1.965 5.676 5.585) 8.201 12.893 ( 2.312 -10.688 -4.050) 11.661 12.893 ( 2.312 10.688 -4.050) 11.661 15.298 ( 0.115 -0.322 -1.493) 1.531 15.298 ( 0.115 0.322 -1.493) 1.531 16.024 ( 1.103 -1.302 0.967) 1.961 16.024 ( 1.103 1.302 0.967) 1.961 16.927 ( -2.579 -1.299 6.046) 6.700 16.927 ( -2.579 1.299 6.046) 6.700 17.186 ( 1.569 -2.061 -4.446) 5.146 17.186 ( 1.569 2.061 -4.446) 5.146 17.344 ( -1.131 -1.050 -0.712) 1.700 17.344 ( -1.131 1.050 -0.712) 1.700 17.526 ( 0.506 -2.655 1.572) 3.127 17.526 ( 0.506 2.655 1.572) 3.127 17.877 ( 0.494 -0.529 0.670) 0.986 17.877 ( 0.495 0.529 0.670) 0.986 17.971 ( 0.122 -1.432 -0.063) 1.439 17.971 ( 0.122 1.432 -0.063) 1.439 18.274 ( -1.489 -3.770 0.801) 4.132 18.274 ( -1.489 3.770 0.801) 4.132 18.441 ( 0.853 -2.390 -2.168) 3.338 18.441 ( 0.853 2.390 -2.168) 3.338 20.682 ( 0.112 -0.043 0.416) 0.433 20.682 ( 0.112 0.043 0.416) 0.433 20.797 ( -0.119 -0.271 -1.025) 1.066 20.797 ( -0.119 0.271 -1.025) 1.066 21.549 ( -1.015 -0.180 1.415) 1.750 21.549 ( -1.015 0.180 1.415) 1.750 21.602 ( 0.567 -0.334 -1.459) 1.601 21.602 ( 0.567 0.334 -1.459) 1.601 27.252 ( -0.360 -0.965 0.827) 1.321 27.252 ( -0.360 0.965 0.827) 1.321 27.293 ( 0.317 -0.651 -0.672) 0.988 27.293 ( 0.317 0.651 -0.672) 0.988 27.668 ( -0.613 -0.324 1.021) 1.235 27.668 ( -0.613 0.324 1.021) 1.235 27.731 ( 0.186 -0.371 -0.590) 0.722 27.731 ( 0.186 0.371 -0.590) 0.722 35.246 ( 1.350 -3.345 1.835) 4.048 35.246 ( 1.350 3.345 1.835) 4.048 35.567 ( 2.561 -2.881 -2.921) 4.837 35.567 ( 2.561 2.881 -2.921) 4.837 35.977 ( -3.247 -3.550 4.267) 6.431 35.977 ( -3.247 3.550 4.267) 6.431 36.464 ( 1.192 -7.095 -5.153) 8.850 36.464 ( 1.192 7.095 -5.153) 8.850 39.405 ( -2.176 -1.901 5.835) 6.512 39.405 ( -2.176 1.901 5.835) 6.512 39.537 ( 1.222 -1.691 -1.216) 2.414 39.537 ( 1.222 1.691 -1.216) 2.414 40.738 ( -4.315 -3.834 3.253) 6.626 40.738 ( -4.315 3.834 3.253) 6.626 41.070 ( 4.564 -8.781 -5.392) 11.270 41.070 ( 4.564 8.781 -5.392) 11.270 ======================= Grid point 116 (64/80) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.731 -4.326 1.292) 5.856 2.257 ( 3.731 4.326 1.292) 5.856 2.664 ( -2.869 -15.981 6.719) 17.572 2.664 ( -2.869 15.981 6.719) 17.572 2.969 ( -2.883 -5.772 -3.657) 7.416 2.969 ( -2.883 5.772 -3.657) 7.416 3.142 ( -3.027 -13.313 2.993) 13.977 3.142 ( -3.027 13.313 2.993) 13.977 3.229 ( -0.433 -0.808 -3.602) 3.717 3.229 ( -0.433 0.808 -3.602) 3.717 3.550 ( 4.520 -7.486 -4.962) 10.055 3.550 ( 4.520 7.486 -4.962) 10.055 3.812 ( -0.995 -4.281 0.255) 4.403 3.812 ( -0.995 4.281 0.255) 4.403 3.888 ( 3.650 -0.967 1.641) 4.117 3.888 ( 3.650 0.967 1.641) 4.117 4.074 ( -1.148 -2.273 4.515) 5.184 4.074 ( -1.148 2.273 4.515) 5.184 4.211 ( 0.068 -5.366 -2.086) 5.757 4.211 ( 0.068 5.366 -2.086) 5.757 4.328 ( -2.762 -3.577 -3.880) 5.956 4.328 ( -2.762 3.577 -3.880) 5.956 4.441 ( 5.234 -6.781 0.211) 8.569 4.441 ( 5.234 6.781 0.211) 8.569 4.681 ( 0.455 -1.348 0.458) 1.495 4.681 ( 0.455 1.348 0.458) 1.495 4.798 ( -0.315 -2.996 -1.220) 3.250 4.798 ( -0.315 2.996 -1.220) 3.250 5.024 ( -1.178 -3.066 -1.414) 3.576 5.024 ( -1.178 3.066 -1.414) 3.576 5.212 ( -5.772 -11.760 3.340) 13.519 5.212 ( -5.772 11.760 3.340) 13.519 5.305 ( -3.092 -5.709 1.669) 6.704 5.305 ( -3.092 5.709 1.669) 6.704 5.450 ( -0.533 -2.051 4.927) 5.363 5.450 ( -0.533 2.051 4.927) 5.363 5.571 ( 2.192 -1.286 -1.711) 3.064 5.571 ( 2.192 1.286 -1.711) 3.064 5.705 ( 2.212 -4.050 -2.222) 5.122 5.705 ( 2.212 4.050 -2.222) 5.122 5.804 ( -2.965 -4.400 4.859) 7.195 5.804 ( -2.965 4.400 4.859) 7.195 6.004 ( 1.658 -3.695 -6.014) 7.251 6.004 ( 1.658 3.695 -6.014) 7.251 6.188 ( -0.793 -1.210 -0.308) 1.479 6.188 ( -0.793 1.210 -0.308) 1.479 6.286 ( 5.498 -3.539 -0.836) 6.591 6.286 ( 5.498 3.539 -0.836) 6.591 6.399 ( -1.257 -4.630 1.469) 5.018 6.399 ( -1.257 4.630 1.469) 5.018 6.582 ( 0.910 -3.311 -1.787) 3.872 6.582 ( 0.910 3.311 -1.787) 3.872 6.707 ( -3.714 -1.166 -0.872) 3.989 6.707 ( -3.714 1.166 -0.872) 3.989 6.944 ( 1.797 -4.031 3.066) 5.374 6.944 ( 1.797 4.031 3.066) 5.374 6.999 ( -1.461 -1.550 1.805) 2.792 6.999 ( -1.461 1.550 1.805) 2.792 7.081 ( -0.258 -1.467 -3.234) 3.561 7.081 ( -0.258 1.467 -3.234) 3.561 7.171 ( -0.155 -3.549 3.054) 4.684 7.171 ( -0.155 3.549 3.054) 4.684 7.278 ( -4.170 -1.508 5.695) 7.217 7.278 ( -4.170 1.508 5.695) 7.217 7.491 ( 3.493 -0.780 -6.306) 7.251 7.491 ( 3.493 0.780 -6.306) 7.251 7.554 ( -2.168 -3.680 1.468) 4.517 7.554 ( -2.168 3.680 1.468) 4.517 7.613 ( 3.108 -1.680 -1.056) 3.688 7.613 ( 3.108 1.680 -1.056) 3.688 7.761 ( -4.935 -0.576 1.556) 5.206 7.761 ( -4.935 0.576 1.556) 5.206 7.825 ( 0.140 -5.578 0.306) 5.588 7.825 ( 0.140 5.578 0.306) 5.588 7.963 ( 1.339 -4.971 -5.065) 7.222 7.963 ( 1.339 4.971 -5.065) 7.222 8.053 ( 5.123 -2.756 1.362) 5.975 8.053 ( 5.123 2.756 1.362) 5.975 8.213 ( -0.558 -1.190 -2.463) 2.792 8.213 ( -0.558 1.190 -2.463) 2.792 8.565 ( -3.226 -1.054 1.257) 3.619 8.565 ( -3.226 1.054 1.257) 3.619 8.746 ( -2.172 -1.950 1.427) 3.249 8.746 ( -2.172 1.950 1.427) 3.249 8.924 ( -4.202 -7.138 -2.678) 8.705 8.924 ( -4.202 7.138 -2.678) 8.705 9.110 ( 8.906 -3.248 2.128) 9.715 9.110 ( 8.906 3.248 2.128) 9.715 9.272 ( -0.702 -2.244 -2.343) 3.319 9.272 ( -0.702 2.244 -2.343) 3.319 9.657 ( 0.292 -1.783 -1.353) 2.257 9.657 ( 0.292 1.783 -1.353) 2.257 10.271 ( -1.721 -3.223 4.025) 5.436 10.271 ( -1.721 3.223 4.025) 5.436 10.455 ( 1.519 -2.608 -2.218) 3.746 10.455 ( 1.519 2.608 -2.218) 3.746 11.370 ( -3.441 -8.100 6.412) 10.889 11.370 ( -3.441 8.100 6.412) 10.889 11.886 ( 4.991 -5.591 -6.292) 9.786 11.886 ( 4.991 5.591 -6.292) 9.786 12.547 ( -0.752 -5.347 4.024) 6.734 12.547 ( -0.752 5.347 4.024) 6.734 12.895 ( 2.040 -9.069 -3.841) 10.058 12.895 ( 2.040 9.069 -3.841) 10.058 15.292 ( 0.760 -1.752 -1.300) 2.310 15.292 ( 0.760 1.752 -1.300) 2.310 16.047 ( 0.374 -1.621 0.173) 1.673 16.047 ( 0.374 1.622 0.173) 1.673 16.951 ( -1.850 -0.560 6.502) 6.784 16.951 ( -1.850 0.560 6.502) 6.784 17.163 ( 1.467 -3.268 -5.052) 6.193 17.163 ( 1.467 3.268 -5.052) 6.193 17.329 ( -0.205 -1.106 0.008) 1.125 17.329 ( -0.205 1.106 0.008) 1.125 17.544 ( -0.004 -1.247 0.993) 1.594 17.544 ( -0.004 1.247 0.993) 1.594 17.878 ( -1.124 -1.176 0.630) 1.744 17.878 ( -1.124 1.176 0.630) 1.744 17.983 ( 1.122 -1.001 -0.437) 1.566 17.983 ( 1.122 1.001 -0.437) 1.566 18.258 ( -0.928 -2.258 1.118) 2.685 18.258 ( -0.928 2.258 1.118) 2.685 18.435 ( 0.643 -2.678 -1.788) 3.283 18.435 ( 0.643 2.678 -1.788) 3.283 20.687 ( -0.137 -0.286 0.365) 0.483 20.687 ( -0.137 0.286 0.365) 0.483 20.787 ( 0.201 -0.211 -0.801) 0.852 20.787 ( 0.201 0.211 -0.801) 0.852 21.543 ( -1.013 -0.278 1.405) 1.754 21.543 ( -1.013 0.278 1.405) 1.754 21.605 ( 1.160 -0.514 -1.343) 1.847 21.605 ( 1.160 0.514 -1.343) 1.847 27.252 ( -0.451 -0.968 0.798) 1.333 27.252 ( -0.451 0.968 0.798) 1.333 27.295 ( 0.560 -0.750 -0.714) 1.178 27.295 ( 0.560 0.750 -0.714) 1.178 27.671 ( -0.177 -0.421 0.999) 1.099 27.671 ( -0.177 0.421 0.999) 1.099 27.727 ( 0.101 -0.734 -0.548) 0.921 27.727 ( 0.101 0.734 -0.548) 0.921 35.253 ( -2.607 -2.432 1.713) 3.955 35.253 ( -2.607 2.432 1.713) 3.955 35.567 ( 0.722 -3.049 -3.315) 4.561 35.567 ( 0.722 3.049 -3.315) 4.561 35.963 ( -3.165 -3.411 5.236) 7.005 35.963 ( -3.165 3.411 5.236) 7.005 36.454 ( 3.464 -7.414 -5.086) 9.635 36.454 ( 3.464 7.414 -5.086) 9.635 39.407 ( -3.345 -0.866 4.886) 5.985 39.407 ( -3.345 0.866 4.886) 5.985 39.571 ( 3.336 -3.659 -1.324) 5.126 39.571 ( 3.336 3.659 -1.324) 5.126 40.686 ( -4.212 -3.735 3.787) 6.784 40.686 ( -4.212 3.735 3.787) 6.784 41.104 ( 4.329 -7.316 -5.463) 10.105 41.104 ( 4.329 7.316 -5.463) 10.105 ======================= Grid point 118 (65/80) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 4.597 -3.839 0.401) 6.002 2.360 ( 4.597 3.839 0.401) 6.002 2.657 ( -3.779 -14.427 5.797) 16.001 2.657 ( -3.779 14.427 5.797) 16.001 2.877 ( -5.665 -12.571 1.849) 13.912 2.877 ( -5.665 12.571 1.849) 13.912 3.131 ( 3.107 -16.745 -4.640) 17.652 3.131 ( 3.107 16.745 -4.640) 17.652 3.224 ( 1.234 -3.521 2.000) 4.234 3.224 ( 1.234 3.521 2.000) 4.234 3.554 ( 0.717 -5.259 -2.889) 6.043 3.554 ( 0.717 5.259 -2.889) 6.043 3.849 ( 3.857 -1.445 2.177) 4.659 3.849 ( 3.857 1.445 2.177) 4.659 3.997 ( 0.022 -1.353 -1.119) 1.756 3.997 ( 0.022 1.353 -1.119) 1.756 4.039 ( 0.027 -3.989 -0.867) 4.082 4.039 ( 0.027 3.989 -0.867) 4.082 4.197 ( 0.315 -1.700 4.845) 5.144 4.197 ( 0.315 1.700 4.845) 5.144 4.340 ( 4.008 -2.105 0.646) 4.573 4.340 ( 4.008 2.105 0.646) 4.573 4.552 ( 3.899 -6.976 1.603) 8.151 4.552 ( 3.899 6.976 1.603) 8.151 4.706 ( -1.602 -1.910 0.449) 2.533 4.706 ( -1.602 1.910 0.449) 2.533 4.801 ( 3.305 -1.568 -0.829) 3.751 4.801 ( 3.305 1.568 -0.829) 3.751 4.921 ( -6.453 -7.044 -1.109) 9.617 4.921 ( -6.453 7.044 -1.109) 9.617 5.063 ( -5.492 -5.655 -2.685) 8.328 5.063 ( -5.492 5.655 -2.685) 8.328 5.274 ( -2.853 -15.225 2.106) 15.633 5.274 ( -2.853 15.225 2.106) 15.633 5.461 ( -2.802 -1.548 4.579) 5.587 5.461 ( -2.802 1.548 4.579) 5.587 5.610 ( 0.948 -7.576 -2.474) 8.026 5.610 ( 0.948 7.576 -2.474) 8.026 5.745 ( -3.779 -3.859 1.559) 5.622 5.745 ( -3.779 3.859 1.559) 5.622 5.816 ( 6.794 -0.987 1.206) 6.971 5.816 ( 6.794 0.987 1.206) 6.971 5.968 ( 0.023 -3.219 -3.718) 4.918 5.968 ( 0.023 3.219 -3.718) 4.918 6.137 ( -3.085 -0.965 -6.149) 6.947 6.137 ( -3.085 0.965 -6.149) 6.947 6.318 ( -1.223 -7.231 1.440) 7.473 6.318 ( -1.223 7.231 1.440) 7.473 6.464 ( 7.033 -6.485 -0.047) 9.567 6.464 ( 7.033 6.485 -0.047) 9.567 6.568 ( -2.929 -2.238 -0.832) 3.779 6.568 ( -2.929 2.238 -0.832) 3.779 6.643 ( 2.530 -3.637 0.244) 4.437 6.643 ( 2.530 3.637 0.244) 4.437 6.909 ( -2.935 -5.330 -0.742) 6.129 6.909 ( -2.935 5.330 -0.742) 6.129 6.998 ( -2.372 -4.789 0.471) 5.365 6.998 ( -2.372 4.789 0.471) 5.365 7.091 ( 0.524 -2.874 0.938) 3.068 7.091 ( 0.524 2.874 0.938) 3.068 7.192 ( -1.881 -5.638 4.110) 7.226 7.192 ( -1.881 5.638 4.110) 7.226 7.306 ( 0.743 -2.975 5.382) 6.194 7.306 ( 0.743 2.975 5.382) 6.194 7.470 ( -1.615 -5.051 -1.900) 5.633 7.470 ( -1.615 5.051 -1.900) 5.633 7.560 ( 1.998 -4.889 -0.527) 5.308 7.560 ( 1.998 4.889 -0.527) 5.308 7.647 ( -0.028 -0.386 -2.783) 2.810 7.647 ( -0.028 0.386 -2.783) 2.810 7.720 ( 0.489 -2.013 0.978) 2.291 7.720 ( 0.489 2.013 0.978) 2.291 7.829 ( 3.598 -2.103 0.083) 4.168 7.829 ( 3.598 2.103 0.083) 4.168 7.932 ( -0.574 -4.979 1.276) 5.172 7.932 ( -0.574 4.979 1.276) 5.172 8.137 ( -2.586 -1.762 0.162) 3.134 8.137 ( -2.586 1.762 0.162) 3.134 8.244 ( 3.489 -5.187 0.781) 6.300 8.244 ( 3.489 5.187 0.781) 6.300 8.526 ( -1.641 -4.052 1.243) 4.545 8.526 ( -1.641 4.052 1.243) 4.545 8.625 ( -5.939 -3.155 -3.205) 7.450 8.625 ( -5.939 3.155 -3.205) 7.450 8.864 ( 1.750 -5.009 -2.850) 6.023 8.864 ( 1.750 5.009 -2.850) 6.023 9.218 ( -1.836 -4.268 -3.547) 5.845 9.218 ( -1.836 4.268 -3.547) 5.845 9.309 ( 6.397 -0.050 4.637) 7.901 9.309 ( 6.397 0.050 4.637) 7.901 9.646 ( 0.223 -5.365 -1.777) 5.656 9.646 ( 0.223 5.365 -1.777) 5.656 10.278 ( -1.660 -4.187 3.796) 5.891 10.278 ( -1.660 4.187 3.796) 5.891 10.458 ( 1.411 -1.284 -2.876) 3.451 10.458 ( 1.411 1.284 -2.876) 3.451 11.366 ( -3.443 -9.109 6.056) 11.468 11.366 ( -3.443 9.109 6.056) 11.468 11.914 ( 4.512 -4.509 -7.101) 9.545 11.914 ( 4.512 4.509 -7.101) 9.545 12.565 ( -1.093 -6.370 2.578) 6.958 12.565 ( -1.093 6.370 2.578) 6.958 12.891 ( 1.758 -7.546 -4.331) 8.876 12.891 ( 1.758 7.546 -4.331) 8.876 15.300 ( 1.241 -3.649 -0.901) 3.958 15.300 ( 1.241 3.649 -0.901) 3.958 16.037 ( -0.630 -1.823 -1.326) 2.341 16.037 ( -0.630 1.823 -1.326) 2.341 16.970 ( -2.571 -0.992 5.220) 5.903 16.970 ( -2.571 0.992 5.220) 5.903 17.152 ( 2.119 -3.569 -3.883) 5.684 17.152 ( 2.119 3.569 -3.883) 5.684 17.341 ( 1.175 -1.569 0.905) 2.159 17.341 ( 1.175 1.569 0.905) 2.159 17.539 ( -1.113 -0.377 -0.298) 1.212 17.539 ( -1.113 0.377 -0.298) 1.212 17.859 ( -1.258 -1.680 0.825) 2.255 17.859 ( -1.258 1.680 0.825) 2.255 17.993 ( 0.484 -1.876 -0.838) 2.111 17.993 ( 0.484 1.876 -0.838) 2.111 18.264 ( -0.223 -0.839 2.153) 2.321 18.264 ( -0.223 0.839 2.153) 2.321 18.433 ( 0.951 -3.149 -1.629) 3.671 18.433 ( 0.951 3.149 -1.629) 3.671 20.684 ( -0.367 -0.488 0.035) 0.612 20.684 ( -0.367 0.488 0.035) 0.612 20.792 ( 0.645 -0.662 -0.128) 0.933 20.792 ( 0.645 0.662 -0.128) 0.933 21.541 ( -0.717 -0.282 1.604) 1.779 21.541 ( -0.717 0.282 1.604) 1.779 21.615 ( 1.176 -0.893 -1.355) 2.005 21.615 ( 1.176 0.893 -1.355) 2.005 27.251 ( -0.426 -0.602 0.654) 0.986 27.251 ( -0.426 0.602 0.654) 0.986 27.298 ( 0.502 -0.730 -0.695) 1.126 27.298 ( 0.502 0.730 -0.695) 1.126 27.678 ( -0.081 -0.694 0.807) 1.067 27.678 ( -0.081 0.694 0.807) 1.067 27.725 ( 0.150 -1.038 -0.344) 1.103 27.725 ( 0.150 1.038 -0.344) 1.103 35.202 ( -3.299 -3.455 0.848) 4.852 35.202 ( -3.299 3.455 0.848) 4.852 35.527 ( -1.793 -4.823 -1.682) 5.413 35.527 ( -1.793 4.823 -1.682) 5.413 35.974 ( -0.678 -2.558 4.338) 5.081 35.974 ( -0.678 2.558 4.338) 5.081 36.483 ( 3.669 -6.896 -3.856) 8.711 36.483 ( 3.669 6.896 -3.856) 8.711 39.387 ( -3.095 -1.152 4.131) 5.289 39.387 ( -3.095 1.152 4.131) 5.289 39.607 ( 2.049 -5.505 -2.965) 6.580 39.607 ( 2.049 5.505 -2.965) 6.580 40.672 ( -2.534 -8.094 6.649) 10.777 40.672 ( -2.534 8.094 6.649) 10.777 41.115 ( 3.271 -8.254 -7.092) 11.363 41.115 ( 3.271 8.254 -7.092) 11.363 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.835 0.000 -25.846) 26.001 1.814 ( -2.835 0.000 25.846) 26.001 1.827 ( 3.451 0.000 -26.808) 27.029 1.827 ( -3.451 0.000 26.808) 27.029 2.552 ( 7.890 0.000 -5.398) 9.560 2.552 ( -7.890 0.000 5.398) 9.560 2.854 ( 2.037 0.000 -7.201) 7.484 2.854 ( -2.037 0.000 7.201) 7.484 2.992 ( -1.464 0.000 -3.903) 4.169 2.992 ( 1.464 0.000 3.903) 4.169 3.395 ( -6.413 0.000 -6.935) 9.446 3.395 ( 6.413 0.000 6.935) 9.446 3.623 ( -4.101 0.000 -17.312) 17.791 3.623 ( 4.101 0.000 17.312) 17.791 3.843 ( 0.487 0.000 -7.695) 7.710 3.843 ( -0.487 0.000 7.695) 7.710 4.076 ( -4.143 0.000 -3.631) 5.509 4.076 ( 4.143 0.000 3.631) 5.509 4.182 ( 0.795 0.000 -4.402) 4.473 4.182 ( -0.795 0.000 4.402) 4.473 4.256 ( 2.956 0.000 -8.025) 8.552 4.256 ( -2.956 0.000 8.025) 8.552 4.368 ( 9.159 0.000 -4.250) 10.097 4.368 ( -9.159 0.000 4.250) 10.097 4.481 ( -2.049 0.000 -2.758) 3.436 4.481 ( 2.049 0.000 2.758) 3.436 4.769 ( 0.040 0.000 -8.025) 8.025 4.769 ( -0.040 0.000 8.025) 8.025 4.929 ( -1.810 0.000 -3.332) 3.792 4.929 ( 1.810 0.000 3.332) 3.792 5.110 ( -7.260 0.000 -8.775) 11.389 5.110 ( 7.260 0.000 8.775) 11.389 5.168 ( 2.615 0.000 -5.531) 6.118 5.168 ( -2.615 0.000 5.531) 6.118 5.563 ( 0.714 0.000 -2.899) 2.986 5.563 ( -0.714 0.000 2.899) 2.986 5.576 ( -1.382 0.000 -4.118) 4.343 5.576 ( 1.382 0.000 4.118) 4.343 5.640 ( -0.326 0.000 -4.223) 4.236 5.640 ( 0.326 0.000 4.223) 4.236 5.889 ( -3.768 0.000 -2.077) 4.303 5.889 ( 3.768 0.000 2.077) 4.303 5.986 ( -2.500 0.000 -1.093) 2.728 5.986 ( 2.500 0.000 1.093) 2.728 6.332 ( -3.150 0.000 0.482) 3.187 6.332 ( 3.150 0.000 -0.482) 3.187 6.424 ( -12.027 0.000 -2.061) 12.202 6.424 ( 12.027 0.000 2.061) 12.202 6.535 ( -2.641 0.000 -7.999) 8.423 6.535 ( 2.641 0.000 7.999) 8.423 6.607 ( 1.461 0.000 -3.708) 3.985 6.607 ( -1.461 0.000 3.708) 3.985 6.740 ( -3.808 0.000 -2.061) 4.330 6.740 ( 3.808 0.000 2.061) 4.330 6.830 ( 2.086 0.000 -3.946) 4.464 6.830 ( -2.086 0.000 3.946) 4.464 6.939 ( -1.871 0.000 -1.129) 2.185 6.939 ( 1.871 0.000 1.129) 2.185 7.006 ( -0.349 0.000 -4.035) 4.050 7.006 ( 0.349 0.000 4.035) 4.050 7.236 ( 0.129 0.000 -3.040) 3.043 7.236 ( -0.129 0.000 3.040) 3.043 7.273 ( 3.102 0.000 -6.202) 6.934 7.273 ( -3.102 0.000 6.202) 6.934 7.355 ( 0.369 0.000 -3.648) 3.667 7.355 ( -0.369 0.000 3.648) 3.667 7.491 ( -3.204 0.000 0.283) 3.217 7.491 ( 3.204 0.000 -0.283) 3.217 7.740 ( 2.918 0.000 -3.837) 4.821 7.740 ( -2.918 0.000 3.837) 4.821 7.839 ( -3.066 0.000 -2.682) 4.074 7.839 ( 3.066 0.000 2.682) 4.074 7.892 ( -0.668 0.000 -3.409) 3.474 7.892 ( 0.668 0.000 3.409) 3.474 8.076 ( 6.774 0.000 -9.125) 11.365 8.076 ( -6.774 0.000 9.125) 11.365 8.134 ( 9.069 0.000 -5.179) 10.444 8.134 ( -9.069 0.000 5.179) 10.444 8.341 ( 1.679 0.000 -1.417) 2.197 8.341 ( -1.679 0.000 1.417) 2.197 8.501 ( -2.124 0.000 -3.464) 4.063 8.501 ( 2.124 0.000 3.464) 4.063 8.618 ( 0.305 0.000 -1.163) 1.202 8.618 ( -0.305 0.000 1.163) 1.202 8.979 ( -0.110 0.000 -1.946) 1.949 8.979 ( 0.110 0.000 1.946) 1.949 9.094 ( 11.574 0.000 -6.495) 13.272 9.094 ( -11.574 0.000 6.495) 13.272 9.302 ( 7.169 0.000 -2.911) 7.737 9.302 ( -7.169 0.000 2.911) 7.737 9.710 ( 4.709 0.000 -8.349) 9.585 9.710 ( -4.709 0.000 8.349) 9.585 9.979 ( -8.015 0.000 -6.570) 10.363 9.979 ( 8.015 0.000 6.570) 10.363 10.428 ( 2.309 0.000 -1.609) 2.815 10.428 ( -2.309 0.000 1.609) 2.815 11.084 ( 3.929 0.000 -8.008) 8.919 11.084 ( -3.929 0.000 8.008) 8.919 12.091 ( 8.228 0.000 -11.909) 14.475 12.091 ( -8.228 0.000 11.909) 14.475 12.358 ( -3.411 0.000 -2.437) 4.192 12.358 ( 3.411 0.000 2.437) 4.192 13.442 ( -5.969 0.000 -3.442) 6.890 13.442 ( 5.969 0.000 3.442) 6.890 15.159 ( 8.909 0.000 -10.193) 13.538 15.159 ( -8.909 0.000 10.193) 13.538 15.910 ( -0.843 0.000 -2.483) 2.622 15.910 ( 0.843 0.000 2.483) 2.622 17.069 ( 1.167 0.000 -2.419) 2.686 17.069 ( -1.167 0.000 2.419) 2.686 17.104 ( 2.031 0.000 -3.381) 3.944 17.104 ( -2.031 0.000 3.381) 3.944 17.321 ( 0.428 0.000 -1.094) 1.174 17.321 ( -0.428 0.000 1.094) 1.174 17.656 ( 0.012 0.000 -2.042) 2.042 17.656 ( -0.012 0.000 2.042) 2.042 17.825 ( 3.273 0.000 -1.964) 3.817 17.825 ( -3.273 0.000 1.964) 3.817 18.101 ( 1.197 0.000 -2.655) 2.912 18.101 ( -1.197 0.000 2.655) 2.912 18.387 ( 1.589 0.000 -2.445) 2.916 18.387 ( -1.589 0.000 2.445) 2.916 18.737 ( 2.177 0.000 -3.582) 4.192 18.737 ( -2.177 0.000 3.582) 4.192 20.768 ( -1.254 0.000 -0.109) 1.259 20.768 ( 1.254 0.000 0.109) 1.259 20.931 ( 1.490 0.000 -3.537) 3.838 20.931 ( -1.490 0.000 3.537) 3.838 21.506 ( 0.561 0.000 -0.830) 1.002 21.506 ( -0.561 0.000 0.830) 1.002 21.532 ( 0.745 0.000 -1.116) 1.342 21.532 ( -0.745 0.000 1.116) 1.342 27.263 ( -0.405 0.000 -0.614) 0.736 27.263 ( 0.405 0.000 0.614) 0.736 27.285 ( 3.285 0.000 -1.152) 3.481 27.285 ( -3.285 0.000 1.152) 3.481 27.597 ( 0.049 0.000 -0.371) 0.374 27.597 ( -0.049 0.000 0.371) 0.374 27.684 ( 0.057 0.000 -0.234) 0.241 27.684 ( -0.057 0.000 0.234) 0.241 35.062 ( -5.671 0.000 0.927) 5.746 35.062 ( 5.671 0.000 -0.927) 5.746 35.585 ( -0.734 0.000 -2.649) 2.749 35.585 ( 0.734 0.000 2.649) 2.749 36.003 ( -0.120 0.000 -0.182) 0.218 36.003 ( 0.120 0.000 0.182) 0.218 36.577 ( -2.727 0.000 -3.217) 4.217 36.577 ( 2.727 0.000 3.217) 4.217 39.611 ( 6.729 0.000 -11.627) 13.433 39.611 ( -6.729 0.000 11.627) 13.433 39.836 ( -17.276 0.000 -3.744) 17.678 39.836 ( 17.276 0.000 3.744) 17.678 40.253 ( -9.880 0.000 1.111) 9.942 40.253 ( 9.880 0.000 -1.111) 9.942 41.198 ( -1.224 0.000 -5.727) 5.856 41.198 ( 1.224 0.000 5.727) 5.856 ======================= Grid point 137 (67/80) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.631 ( 10.484 0.000 -28.836) 30.683 1.697 ( 13.331 0.000 -29.390) 32.273 2.109 ( -1.950 0.000 21.643) 21.731 2.189 ( 3.780 0.000 15.437) 15.893 2.378 ( -10.973 0.000 12.945) 16.970 2.538 ( 10.994 0.000 -27.778) 29.875 2.701 ( -1.547 0.000 5.639) 5.847 2.762 ( -6.252 0.000 4.329) 7.605 2.887 ( -2.403 0.000 -10.445) 10.718 3.028 ( 0.281 0.000 1.170) 1.203 3.343 ( -5.373 0.000 -0.211) 5.377 3.548 ( 9.569 0.000 -1.687) 9.716 3.597 ( -10.670 0.000 6.543) 12.516 3.694 ( -5.702 0.000 -7.615) 9.514 3.706 ( -0.101 0.000 -0.946) 0.952 3.902 ( 2.659 0.000 4.619) 5.330 3.978 ( -0.243 0.000 -0.042) 0.246 4.099 ( -4.282 0.000 6.149) 7.493 4.197 ( 3.503 0.000 -5.282) 6.338 4.211 ( 3.700 0.000 0.936) 3.816 4.245 ( 0.354 0.000 -0.846) 0.917 4.281 ( -1.285 0.000 4.959) 5.122 4.358 ( 2.116 0.000 1.017) 2.348 4.428 ( 4.887 0.000 -2.875) 5.670 4.579 ( 2.787 0.000 4.138) 4.989 4.639 ( 11.899 0.000 2.076) 12.078 4.700 ( 0.596 0.000 -6.907) 6.932 4.830 ( -0.741 0.000 5.515) 5.564 4.867 ( -1.147 0.000 -0.974) 1.504 4.969 ( -1.101 0.000 3.798) 3.954 4.999 ( 0.607 0.000 -1.601) 1.712 5.139 ( -2.312 0.000 0.709) 2.418 5.163 ( 4.049 0.000 -3.390) 5.281 5.388 ( 5.912 0.000 10.573) 12.114 5.472 ( -3.003 0.000 0.615) 3.065 5.509 ( -5.752 0.000 6.385) 8.594 5.529 ( -4.753 0.000 -7.535) 8.909 5.683 ( -3.988 0.000 -0.252) 3.996 5.692 ( 1.861 0.000 6.738) 6.990 5.738 ( 2.383 0.000 6.529) 6.951 5.748 ( -6.071 0.000 -2.922) 6.738 5.856 ( 0.553 0.000 -3.239) 3.286 5.973 ( -2.321 0.000 -3.623) 4.303 5.977 ( 0.981 0.000 5.554) 5.640 6.202 ( -2.674 0.000 0.800) 2.791 6.269 ( -2.818 0.000 3.087) 4.180 6.272 ( -4.483 0.000 -6.701) 8.063 6.382 ( -0.118 0.000 -3.828) 3.829 6.534 ( 2.089 0.000 -5.108) 5.518 6.579 ( -4.493 0.000 5.099) 6.797 6.615 ( -2.954 0.000 -4.453) 5.344 6.658 ( 1.152 0.000 -0.102) 1.157 6.768 ( 3.162 0.000 -3.028) 4.378 6.799 ( -0.446 0.000 -0.042) 0.448 6.841 ( 0.764 0.000 -5.060) 5.117 6.884 ( -0.458 0.000 -0.859) 0.973 6.912 ( 1.057 0.000 2.312) 2.542 6.943 ( -1.304 0.000 2.020) 2.404 7.009 ( 6.652 0.000 3.855) 7.688 7.036 ( 2.625 0.000 3.148) 4.099 7.164 ( -1.426 0.000 -2.476) 2.858 7.216 ( -5.447 0.000 1.037) 5.545 7.266 ( -0.452 0.000 3.933) 3.959 7.309 ( 0.346 0.000 3.601) 3.617 7.349 ( 1.219 0.000 1.082) 1.630 7.404 ( 5.683 0.000 -2.551) 6.229 7.505 ( 2.053 0.000 0.671) 2.160 7.584 ( 5.524 0.000 -4.531) 7.145 7.672 ( -4.240 0.000 -3.616) 5.572 7.690 ( -3.381 0.000 -9.262) 9.859 7.788 ( 5.062 0.000 -4.348) 6.673 7.859 ( -4.557 0.000 3.014) 5.464 7.886 ( 0.656 0.000 1.861) 1.973 7.937 ( -2.367 0.000 2.081) 3.152 8.051 ( 1.136 0.000 -12.017) 12.071 8.087 ( -3.069 0.000 11.775) 12.168 8.109 ( 4.885 0.000 6.385) 8.040 8.257 ( 8.070 0.000 -5.384) 9.702 8.316 ( -0.737 0.000 0.553) 0.922 8.345 ( 0.480 0.000 -1.608) 1.678 8.460 ( -1.377 0.000 1.006) 1.706 8.561 ( -2.081 0.000 5.757) 6.122 8.600 ( -0.772 0.000 -1.546) 1.728 8.616 ( 0.010 0.000 -1.418) 1.418 8.867 ( -7.081 0.000 -5.354) 8.877 8.932 ( -5.952 0.000 0.501) 5.973 9.009 ( -4.418 0.000 9.239) 10.241 9.184 ( -6.445 0.000 3.896) 7.531 9.196 ( 2.748 0.000 -5.926) 6.532 9.312 ( 0.645 0.000 -8.853) 8.877 9.695 ( -4.236 0.000 7.571) 8.676 9.730 ( 6.532 0.000 -5.252) 8.381 9.876 ( -1.212 0.000 2.340) 2.635 10.186 ( 0.596 0.000 9.420) 9.439 10.435 ( 2.117 0.000 1.870) 2.824 10.472 ( 6.242 0.000 -6.589) 9.076 11.075 ( 3.735 0.000 -8.191) 9.003 11.084 ( -4.201 0.000 7.504) 8.601 12.047 ( -7.533 0.000 11.415) 13.677 12.098 ( 5.389 0.000 -12.069) 13.217 12.347 ( 2.830 0.000 0.833) 2.950 12.492 ( 7.390 0.000 0.011) 7.390 13.336 ( -4.618 0.000 4.671) 6.568 13.587 ( 1.086 0.000 9.359) 9.422 15.020 ( -11.778 0.000 4.684) 12.675 15.141 ( 1.699 0.000 -12.641) 12.755 15.889 ( 0.620 0.000 -0.917) 1.107 15.949 ( 0.196 0.000 2.249) 2.258 16.991 ( -3.596 0.000 -1.567) 3.922 16.993 ( -5.316 0.000 2.002) 5.681 17.174 ( 1.406 0.000 4.816) 5.017 17.180 ( 6.488 0.000 -4.248) 7.756 17.326 ( 1.347 0.000 -1.798) 2.246 17.336 ( 0.553 0.000 1.308) 1.420 17.611 ( -2.652 0.000 -1.129) 2.883 17.646 ( -3.484 0.000 2.666) 4.387 17.832 ( 2.135 0.000 0.986) 2.351 17.909 ( 6.460 0.000 -1.106) 6.554 18.070 ( -1.626 0.000 -3.065) 3.470 18.090 ( -2.626 0.000 2.977) 3.969 18.393 ( -0.791 0.000 4.029) 4.105 18.405 ( 2.069 0.000 -0.566) 2.145 18.729 ( -1.876 0.000 1.635) 2.488 18.732 ( 2.020 0.000 -6.261) 6.578 20.742 ( -1.409 0.000 -0.047) 1.410 20.790 ( 1.031 0.000 0.005) 1.031 20.881 ( -5.563 0.000 -0.122) 5.564 20.893 ( -1.278 0.000 -2.966) 3.230 21.502 ( -0.869 0.000 1.277) 1.544 21.506 ( 0.265 0.000 -0.717) 0.765 21.527 ( -0.693 0.000 0.715) 0.996 21.529 ( 0.267 0.000 -1.488) 1.512 27.234 ( -2.295 0.000 1.107) 2.548 27.250 ( -0.025 0.000 -1.038) 1.038 27.287 ( 1.073 0.000 0.557) 1.209 27.325 ( 1.864 0.000 -1.277) 2.259 27.600 ( 0.511 0.000 -0.180) 0.542 27.603 ( 0.118 0.000 0.561) 0.573 27.678 ( -0.494 0.000 -0.012) 0.494 27.680 ( -0.452 0.000 0.096) 0.462 35.067 ( 4.238 0.000 3.642) 5.588 35.202 ( 9.591 0.000 -3.553) 10.228 35.564 ( 2.254 0.000 -2.994) 3.747 35.619 ( -0.284 0.000 2.559) 2.575 35.960 ( -4.062 0.000 -0.196) 4.066 35.971 ( -2.631 0.000 -1.474) 3.016 36.518 ( 0.415 0.000 -2.329) 2.366 36.646 ( 1.176 0.000 1.484) 1.893 39.553 ( -10.788 0.000 5.197) 11.975 39.609 ( 5.050 0.000 -12.429) 13.416 39.620 ( -3.907 0.000 8.402) 9.266 39.980 ( -6.021 0.000 -5.945) 8.461 40.317 ( 10.172 0.000 14.617) 17.808 40.417 ( 8.832 0.000 -3.068) 9.350 41.152 ( 2.115 0.000 -2.599) 3.351 41.275 ( 0.444 0.000 5.428) 5.446 ======================= Grid point 138 (68/80) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.595 ( 2.633 0.000 -7.351) 7.808 1.615 ( 10.600 0.000 -29.990) 31.808 2.007 ( -4.965 0.000 -4.524) 6.717 2.037 ( -14.751 0.000 14.893) 20.961 2.646 ( -0.796 0.000 16.299) 16.318 2.735 ( 1.092 0.000 -12.314) 12.363 2.796 ( 24.995 0.000 -17.614) 30.578 2.804 ( 2.059 0.000 17.161) 17.285 2.859 ( 6.040 0.000 12.299) 13.702 3.016 ( -2.176 0.000 -3.054) 3.750 3.269 ( -0.265 0.000 -0.476) 0.545 3.353 ( -10.345 0.000 0.502) 10.357 3.471 ( -5.250 0.000 -4.686) 7.037 3.564 ( -9.482 0.000 -6.238) 11.350 3.774 ( 6.850 0.000 5.380) 8.710 3.923 ( -3.103 0.000 -5.346) 6.181 4.068 ( 6.591 0.000 4.287) 7.863 4.110 ( -1.540 0.000 7.450) 7.607 4.209 ( -1.713 0.000 -3.502) 3.899 4.223 ( -2.501 0.000 -5.106) 5.686 4.263 ( 9.366 0.000 -7.809) 12.195 4.290 ( -1.559 0.000 5.715) 5.924 4.380 ( -3.071 0.000 6.693) 7.364 4.467 ( -2.942 0.000 -5.015) 5.815 4.620 ( 3.997 0.000 -5.074) 6.459 4.639 ( -1.118 0.000 4.065) 4.216 4.829 ( 1.128 0.000 4.882) 5.011 4.858 ( -0.406 0.000 1.599) 1.650 4.896 ( 4.973 0.000 -1.206) 5.117 4.976 ( -0.422 0.000 -3.052) 3.081 5.044 ( 5.325 0.000 2.130) 5.735 5.098 ( -1.677 0.000 2.775) 3.242 5.303 ( 1.772 0.000 -6.444) 6.684 5.392 ( -11.709 0.000 -0.197) 11.711 5.417 ( 3.220 0.000 4.477) 5.515 5.469 ( -6.459 0.000 3.114) 7.170 5.490 ( 4.685 0.000 7.374) 8.736 5.512 ( -2.035 0.000 3.428) 3.986 5.545 ( -6.273 0.000 -0.294) 6.279 5.753 ( -5.629 0.000 -8.406) 10.117 5.830 ( 6.064 0.000 -2.174) 6.442 5.865 ( -0.584 0.000 7.242) 7.266 6.024 ( 7.563 0.000 2.495) 7.964 6.138 ( -0.890 0.000 -2.691) 2.835 6.209 ( 10.466 0.000 2.331) 10.722 6.231 ( 1.030 0.000 1.887) 2.150 6.303 ( 1.352 0.000 3.861) 4.090 6.362 ( -1.107 0.000 -4.767) 4.894 6.377 ( -8.672 0.000 -2.176) 8.941 6.470 ( -9.533 0.000 -0.027) 9.533 6.593 ( 5.421 0.000 -2.660) 6.038 6.617 ( -0.926 0.000 -3.541) 3.660 6.673 ( -3.674 0.000 -3.039) 4.768 6.735 ( -6.720 0.000 0.621) 6.749 6.865 ( 3.929 0.000 -4.383) 5.886 6.896 ( -3.138 0.000 2.789) 4.199 6.921 ( 4.690 0.000 -1.679) 4.981 6.958 ( 0.396 0.000 1.363) 1.419 7.106 ( 0.133 0.000 2.055) 2.059 7.116 ( 1.105 0.000 -1.249) 1.668 7.205 ( 0.052 0.000 7.058) 7.058 7.253 ( 3.763 0.000 5.946) 7.037 7.312 ( 4.944 0.000 1.126) 5.070 7.326 ( 1.169 0.000 -0.583) 1.306 7.396 ( 1.682 0.000 -2.628) 3.120 7.464 ( -4.921 0.000 0.153) 4.924 7.483 ( 0.701 0.000 -7.177) 7.211 7.523 ( -1.334 0.000 -2.092) 2.482 7.571 ( -3.476 0.000 4.380) 5.592 7.603 ( -0.418 0.000 -4.617) 4.635 7.813 ( -1.825 0.000 4.000) 4.396 7.851 ( 2.967 0.000 -5.978) 6.674 7.909 ( -1.646 0.000 2.745) 3.200 7.939 ( 0.727 0.000 -4.956) 5.009 7.965 ( 7.641 0.000 -5.758) 9.568 8.088 ( -8.764 0.000 7.708) 11.671 8.277 ( 5.069 0.000 2.649) 5.720 8.303 ( 1.555 0.000 -1.567) 2.208 8.354 ( 3.049 0.000 -1.658) 3.471 8.362 ( 1.523 0.000 2.053) 2.556 8.455 ( -1.799 0.000 2.929) 3.437 8.503 ( -5.092 0.000 -3.600) 6.236 8.569 ( -1.261 0.000 1.700) 2.117 8.581 ( 1.757 0.000 -3.682) 4.080 8.772 ( -1.182 0.000 0.984) 1.538 8.799 ( -5.604 0.000 -0.021) 5.604 9.029 ( -2.992 0.000 7.421) 8.001 9.097 ( -2.190 0.000 -7.643) 7.951 9.174 ( -0.719 0.000 7.231) 7.267 9.247 ( 1.128 0.000 -8.969) 9.040 9.718 ( -2.230 0.000 9.064) 9.334 9.765 ( 3.640 0.000 -9.627) 10.292 9.973 ( 3.221 0.000 11.462) 11.906 10.146 ( -3.238 0.000 -8.083) 8.708 10.509 ( -4.439 0.000 13.471) 14.183 10.517 ( 7.688 0.000 -11.831) 14.110 11.069 ( 4.046 0.000 -7.650) 8.653 11.075 ( -4.397 0.000 7.350) 8.565 12.044 ( -5.304 0.000 11.836) 12.970 12.070 ( 4.614 0.000 -11.991) 12.848 12.456 ( 4.536 0.000 4.776) 6.587 12.555 ( 0.939 0.000 -5.178) 5.262 13.406 ( 5.067 0.000 8.213) 9.651 13.592 ( -7.959 0.000 2.611) 8.376 14.912 ( -2.817 0.000 5.692) 6.351 15.008 ( -1.664 0.000 -11.683) 11.801 15.911 ( 1.783 0.000 0.297) 1.807 15.948 ( -1.495 0.000 0.097) 1.498 16.931 ( -0.979 0.000 -1.234) 1.575 16.933 ( -2.521 0.000 1.385) 2.877 17.233 ( -1.496 0.000 6.814) 6.976 17.241 ( 5.140 0.000 -6.770) 8.500 17.337 ( 1.668 0.000 -1.157) 2.030 17.354 ( -0.414 0.000 0.984) 1.068 17.562 ( -0.080 0.000 -1.656) 1.658 17.590 ( -4.452 0.000 2.473) 5.093 17.904 ( 3.667 0.000 1.446) 3.942 17.989 ( -2.751 0.000 -2.389) 3.644 18.012 ( 4.358 0.000 -1.666) 4.666 18.064 ( -3.235 0.000 2.648) 4.180 18.444 ( 0.578 0.000 4.881) 4.915 18.451 ( 2.351 0.000 0.040) 2.351 18.687 ( -3.045 0.000 0.833) 3.157 18.688 ( 0.845 0.000 -6.655) 6.708 20.724 ( -0.533 0.000 1.105) 1.227 20.765 ( -3.065 0.000 -2.935) 4.244 20.813 ( 1.033 0.000 0.247) 1.062 20.844 ( -1.462 0.000 -1.288) 1.949 21.501 ( -0.688 0.000 1.439) 1.595 21.503 ( 0.417 0.000 -1.072) 1.150 21.520 ( 0.380 0.000 -1.144) 1.205 21.521 ( -0.575 0.000 0.606) 0.836 27.225 ( -0.502 0.000 1.901) 1.966 27.239 ( 0.207 0.000 -1.720) 1.732 27.313 ( 0.967 0.000 0.637) 1.158 27.331 ( 0.052 0.000 -0.925) 0.927 27.609 ( 0.608 0.000 -0.365) 0.709 27.611 ( -0.062 0.000 0.638) 0.641 27.669 ( -0.470 0.000 0.383) 0.606 27.671 ( -0.259 0.000 -0.330) 0.420 35.231 ( 3.469 0.000 8.642) 9.312 35.295 ( 4.694 0.000 -6.626) 8.120 35.619 ( 6.739 0.000 -5.679) 8.813 35.635 ( -1.643 0.000 5.222) 5.475 35.868 ( -5.672 0.000 3.230) 6.527 35.884 ( -2.237 0.000 -4.912) 5.397 36.557 ( 4.039 0.000 0.348) 4.054 36.635 ( -2.633 0.000 -0.611) 2.703 39.487 ( -3.144 0.000 7.418) 8.057 39.548 ( 1.541 0.000 -11.387) 11.491 39.675 ( -1.112 0.000 11.356) 11.410 39.799 ( -3.203 0.000 -9.726) 10.240 40.518 ( 6.734 0.000 -6.454) 9.327 40.528 ( -2.297 0.000 11.207) 11.440 41.237 ( 5.182 0.000 1.702) 5.454 41.305 ( -1.691 0.000 1.973) 2.598 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -2.942 11.622 -25.512) 28.189 1.892 ( 2.942 11.622 25.512) 28.189 2.056 ( 3.790 14.698 -25.159) 29.383 2.056 ( -3.790 14.698 25.159) 29.383 2.564 ( 4.346 1.036 -5.529) 7.109 2.564 ( -4.346 1.036 5.529) 7.109 2.896 ( 4.186 6.359 -4.489) 8.838 2.896 ( -4.186 6.359 4.489) 8.838 3.061 ( 2.028 4.734 -5.388) 7.453 3.061 ( -2.028 4.734 5.388) 7.453 3.456 ( -11.860 5.702 -9.441) 16.196 3.456 ( 11.860 5.702 9.441) 16.196 3.674 ( -1.921 4.537 -14.258) 15.086 3.674 ( 1.921 4.537 14.258) 15.086 3.858 ( -1.735 0.626 -5.849) 6.133 3.858 ( 1.735 0.626 5.849) 6.133 4.035 ( 2.315 -1.237 -4.833) 5.500 4.035 ( -2.315 -1.237 4.833) 5.500 4.174 ( 1.995 -0.174 -5.795) 6.131 4.174 ( -1.995 -0.174 5.795) 6.131 4.317 ( -2.745 3.004 -5.402) 6.763 4.317 ( 2.745 3.004 5.402) 6.763 4.369 ( 1.323 2.362 -4.223) 5.016 4.369 ( -1.323 2.362 4.223) 5.016 4.534 ( -0.977 3.232 -5.146) 6.155 4.534 ( 0.977 3.232 5.146) 6.155 4.770 ( -0.564 -0.255 -5.092) 5.129 4.770 ( 0.564 -0.255 5.092) 5.129 4.867 ( 3.918 -4.244 -3.513) 6.760 4.867 ( -3.918 -4.244 3.513) 6.760 5.103 ( -6.501 -1.610 -6.930) 9.637 5.103 ( 6.501 -1.610 6.930) 9.637 5.191 ( -3.384 2.007 -6.666) 7.741 5.191 ( 3.384 2.007 6.666) 7.741 5.494 ( 3.900 -3.706 -6.539) 8.468 5.494 ( -3.900 -3.706 6.539) 8.468 5.582 ( -4.477 -0.783 -4.020) 6.068 5.582 ( 4.477 -0.783 4.020) 6.068 5.680 ( -0.149 3.531 -4.679) 5.864 5.680 ( 0.149 3.531 4.679) 5.864 5.858 ( 1.748 -1.251 -4.015) 4.554 5.858 ( -1.748 -1.251 4.015) 4.554 6.009 ( -7.687 -0.278 -1.046) 7.762 6.009 ( 7.687 -0.278 1.046) 7.762 6.335 ( -8.385 -4.933 -4.020) 10.527 6.335 ( 8.385 -4.933 4.020) 10.527 6.415 ( 4.996 3.599 -3.739) 7.204 6.415 ( -4.996 3.599 3.739) 7.204 6.473 ( -4.191 -3.609 -3.448) 6.517 6.473 ( 4.191 -3.609 3.448) 6.517 6.646 ( 1.071 1.522 -3.163) 3.670 6.646 ( -1.071 1.522 3.163) 3.670 6.716 ( -4.643 -2.420 0.352) 5.247 6.716 ( 4.643 -2.420 -0.352) 5.247 6.816 ( -3.154 1.585 -3.200) 4.764 6.816 ( 3.154 1.585 3.200) 4.764 6.979 ( -3.478 1.305 -0.712) 3.782 6.979 ( 3.478 1.305 0.712) 3.782 7.058 ( 1.764 2.492 -1.301) 3.319 7.058 ( -1.764 2.492 1.301) 3.319 7.204 ( 2.288 -0.132 -6.802) 7.178 7.204 ( -2.288 -0.132 6.802) 7.178 7.296 ( 1.211 0.908 -1.131) 1.890 7.296 ( -1.211 0.908 1.131) 1.890 7.351 ( -4.149 0.694 -2.029) 4.670 7.351 ( 4.149 0.694 2.029) 4.670 7.509 ( -1.822 0.812 -1.461) 2.473 7.509 ( 1.822 0.812 1.461) 2.473 7.705 ( 0.665 -1.750 -4.964) 5.305 7.705 ( -0.665 -1.750 4.964) 5.305 7.811 ( -2.203 -2.738 -2.703) 4.434 7.811 ( 2.203 -2.738 2.703) 4.434 7.953 ( -2.750 4.056 -7.032) 8.571 7.953 ( 2.750 4.056 7.032) 8.571 8.050 ( 4.070 -2.460 -7.406) 8.802 8.050 ( -4.070 -2.460 7.406) 8.802 8.126 ( -0.666 0.354 -3.082) 3.173 8.126 ( 0.666 0.354 3.082) 3.173 8.308 ( -2.232 -4.312 -2.829) 5.620 8.308 ( 2.232 -4.312 2.829) 5.620 8.454 ( 0.092 -2.029 -0.931) 2.234 8.454 ( -0.092 -2.029 0.931) 2.234 8.603 ( -0.829 -1.377 -2.037) 2.595 8.603 ( 0.829 -1.377 2.037) 2.595 8.952 ( -1.913 -2.257 -1.841) 3.485 8.952 ( 1.913 -2.257 1.841) 3.485 9.109 ( 8.818 1.471 -5.977) 10.754 9.109 ( -8.818 1.471 5.977) 10.754 9.300 ( -5.174 -0.266 -0.387) 5.196 9.300 ( 5.174 -0.266 0.387) 5.196 9.686 ( -1.228 -1.854 -4.388) 4.920 9.686 ( 1.228 -1.854 4.388) 4.920 10.086 ( -6.047 8.067 -3.880) 10.803 10.086 ( 6.047 8.067 3.880) 10.803 10.447 ( 1.955 1.621 -3.613) 4.416 10.447 ( -1.955 1.621 3.613) 4.416 11.139 ( 4.513 5.171 -10.379) 12.443 11.139 ( -4.513 5.171 10.379) 12.443 12.057 ( 7.350 -3.324 -10.742) 13.434 12.057 ( -7.350 -3.324 10.742) 13.434 12.369 ( -1.330 1.300 -4.108) 4.509 12.369 ( 1.330 1.300 4.108) 4.509 13.358 ( -4.166 -7.684 -1.674) 8.900 13.358 ( 4.166 -7.684 1.674) 8.900 15.173 ( 3.431 1.546 -7.339) 8.247 15.173 ( -3.431 1.546 7.339) 8.247 15.937 ( -0.943 2.236 -2.116) 3.220 15.937 ( 0.943 2.236 2.116) 3.220 17.018 ( -3.170 -2.835 0.018) 4.253 17.018 ( 3.170 -2.835 -0.018) 4.253 17.136 ( -2.228 1.366 -1.953) 3.263 17.136 ( 2.228 1.366 1.953) 3.263 17.352 ( -0.045 2.383 -1.672) 2.911 17.352 ( 0.045 2.383 1.672) 2.911 17.647 ( 2.521 -1.378 -2.712) 3.951 17.647 ( -2.521 -1.378 2.712) 3.951 17.830 ( 0.874 0.819 -1.542) 1.952 17.830 ( -0.874 0.819 1.542) 1.952 18.093 ( 1.022 -1.034 -3.002) 3.335 18.093 ( -1.022 -1.034 3.002) 3.335 18.355 ( 1.938 -2.693 -2.675) 4.261 18.355 ( -1.938 -2.693 2.675) 4.261 18.681 ( 1.824 -5.077 -3.597) 6.484 18.681 ( -1.824 -5.077 3.597) 6.484 20.742 ( -0.892 -2.132 -0.602) 2.388 20.742 ( 0.892 -2.132 0.602) 2.388 20.913 ( 1.238 -1.697 -2.671) 3.398 20.913 ( -1.238 -1.697 2.671) 3.398 21.520 ( 0.430 1.025 -0.544) 1.238 21.520 ( -0.430 1.025 0.544) 1.238 21.548 ( 0.390 1.485 -0.778) 1.721 21.548 ( -0.390 1.485 0.778) 1.721 27.258 ( -0.615 -0.349 -0.397) 0.811 27.258 ( 0.615 -0.349 0.397) 0.811 27.289 ( -0.361 0.227 -0.350) 0.552 27.289 ( 0.361 0.227 0.350) 0.552 27.607 ( 0.051 0.963 -0.411) 1.049 27.607 ( -0.051 0.963 0.411) 1.049 27.696 ( 0.067 1.072 -0.456) 1.167 27.696 ( -0.067 1.072 0.456) 1.167 35.078 ( -5.981 1.519 0.945) 6.243 35.078 ( 5.981 1.519 -0.945) 6.243 35.573 ( -1.034 -1.158 -2.957) 3.340 35.573 ( 1.034 -1.158 2.957) 3.340 36.001 ( 0.504 -0.035 -0.979) 1.102 36.001 ( -0.504 -0.035 0.979) 1.102 36.566 ( 1.515 -1.142 -8.248) 8.463 36.566 ( -1.515 -1.142 8.248) 8.463 39.520 ( 2.988 -5.622 -7.638) 9.944 39.520 ( -2.988 -5.622 7.638) 9.944 39.879 ( -8.771 -0.874 -10.519) 13.724 39.879 ( 8.771 -0.874 10.519) 13.724 40.279 ( -13.363 5.021 -1.204) 14.326 40.279 ( 13.363 5.021 1.204) 14.326 41.200 ( 1.213 -0.405 -7.896) 7.998 41.200 ( -1.213 -0.405 7.896) 7.998 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 10.107 11.130 -22.546) 27.099 1.894 ( 5.458 14.431 -26.492) 30.658 2.208 ( -3.574 1.156 9.328) 10.056 2.275 ( 4.128 13.545 19.168) 23.831 2.490 ( -5.686 9.118 12.621) 16.576 2.626 ( 4.302 -1.113 -0.810) 4.516 2.754 ( -2.863 9.041 -0.629) 9.504 2.802 ( 0.460 15.575 -13.358) 20.524 2.974 ( -3.244 5.567 -4.053) 7.612 3.063 ( 0.640 3.159 -0.487) 3.260 3.371 ( -1.410 1.326 3.611) 4.097 3.528 ( 1.109 -0.024 -5.702) 5.809 3.649 ( -10.142 2.568 2.964) 10.874 3.679 ( -2.502 0.780 -4.896) 5.554 3.754 ( -1.437 2.998 -2.162) 3.965 3.949 ( 0.642 0.096 2.470) 2.553 3.986 ( 1.374 4.060 0.822) 4.364 4.032 ( -1.474 -4.667 2.937) 5.708 4.183 ( 1.251 0.310 -0.524) 1.391 4.240 ( 1.567 -0.410 -3.019) 3.427 4.292 ( 2.535 6.440 3.704) 7.850 4.356 ( 0.962 1.119 2.711) 3.087 4.386 ( 2.535 7.191 -0.642) 7.652 4.466 ( 4.751 3.261 -1.741) 6.020 4.585 ( 5.741 0.456 3.967) 6.994 4.623 ( 4.618 -0.792 1.250) 4.849 4.705 ( -0.509 0.613 -3.738) 3.823 4.791 ( 1.380 -2.546 -2.210) 3.643 4.855 ( -2.710 -1.377 6.494) 7.170 4.913 ( 1.969 -5.028 -1.504) 5.605 4.989 ( -0.358 -0.295 -1.711) 1.773 5.109 ( 2.142 -1.994 0.134) 2.929 5.259 ( 1.252 3.446 1.014) 3.804 5.347 ( 1.928 0.862 9.881) 10.104 5.434 ( -5.960 -3.909 -1.947) 7.388 5.490 ( -1.765 -0.692 1.597) 2.479 5.549 ( 3.167 -3.626 -1.343) 4.998 5.612 ( 0.054 0.509 5.652) 5.675 5.694 ( -5.286 1.421 -2.146) 5.879 5.769 ( -8.991 1.164 -0.040) 9.066 5.802 ( 3.476 0.798 6.177) 7.132 5.841 ( -0.939 -0.551 -1.959) 2.241 5.902 ( 2.705 -1.454 3.152) 4.400 6.033 ( -1.916 0.639 -2.077) 2.898 6.195 ( 0.654 -2.176 -0.946) 2.461 6.270 ( -7.132 1.889 -0.067) 7.379 6.317 ( -4.167 3.537 1.303) 5.619 6.409 ( 0.128 1.218 -2.743) 3.004 6.489 ( -0.982 -6.436 0.035) 6.511 6.571 ( 2.145 -0.535 -5.624) 6.043 6.588 ( -2.422 0.474 -2.052) 3.209 6.677 ( -1.254 2.311 1.027) 2.823 6.719 ( 2.636 -5.546 -2.602) 6.669 6.757 ( 2.338 -3.013 1.795) 4.215 6.826 ( 2.481 -0.872 -1.446) 3.001 6.886 ( -2.322 4.419 -2.789) 5.718 6.923 ( -0.716 -0.133 0.592) 0.938 6.972 ( -1.419 -0.327 3.566) 3.852 7.067 ( 1.738 3.496 2.951) 4.894 7.090 ( 3.493 3.053 1.171) 4.785 7.179 ( 1.695 -1.100 -2.701) 3.374 7.196 ( -3.481 -0.518 0.737) 3.596 7.222 ( -2.297 1.614 -0.236) 2.817 7.301 ( -1.074 -1.503 0.772) 2.002 7.347 ( 3.092 0.350 1.027) 3.277 7.441 ( 3.312 1.029 0.193) 3.474 7.486 ( 0.569 -0.383 0.778) 1.037 7.607 ( 5.188 1.899 -3.518) 6.550 7.677 ( -2.307 0.232 -4.520) 5.080 7.729 ( -1.848 -0.878 -0.830) 2.208 7.755 ( 1.460 -1.525 -4.597) 5.059 7.804 ( -3.358 -0.352 0.251) 3.386 7.864 ( 0.676 -2.173 0.722) 2.388 7.955 ( 0.147 -0.087 -0.358) 0.397 8.034 ( -1.009 -1.284 -7.849) 8.017 8.076 ( -0.773 0.281 5.814) 5.872 8.133 ( 3.249 -0.145 2.827) 4.309 8.247 ( 4.869 -1.013 -3.831) 6.278 8.268 ( 1.803 -3.546 4.600) 6.081 8.353 ( 0.343 0.799 -0.895) 1.248 8.460 ( -2.802 -6.917 0.723) 7.498 8.486 ( 2.544 0.950 0.227) 2.725 8.566 ( 0.302 -0.748 0.927) 1.229 8.620 ( -0.047 0.519 0.571) 0.773 8.846 ( -4.951 -3.107 -1.555) 6.048 8.947 ( -4.665 2.109 0.274) 5.127 9.035 ( -5.385 1.216 6.488) 8.519 9.152 ( -5.340 -0.787 -0.531) 5.424 9.207 ( 3.169 0.528 -3.938) 5.082 9.346 ( -0.505 2.279 -4.340) 4.928 9.590 ( -1.758 -5.775 2.174) 6.416 9.758 ( 3.635 -0.862 -4.534) 5.875 9.999 ( -2.631 9.848 4.794) 11.264 10.223 ( 0.173 3.121 6.705) 7.398 10.440 ( 2.078 -1.398 -1.845) 3.110 10.499 ( 3.340 3.299 -1.251) 4.858 11.124 ( 3.998 4.585 -8.102) 10.131 11.161 ( -4.139 6.921 9.146) 12.193 12.015 ( -5.110 -2.965 7.918) 9.879 12.085 ( 4.310 -1.963 -8.311) 9.566 12.353 ( 2.554 0.967 -0.840) 2.857 12.467 ( 4.726 -1.831 0.955) 5.158 13.266 ( -5.114 -6.393 6.651) 10.547 13.482 ( 2.972 -9.418 3.313) 10.416 15.038 ( -7.104 2.637 -0.762) 7.616 15.188 ( -0.634 3.442 -4.894) 6.017 15.919 ( 0.382 2.640 -0.007) 2.667 15.978 ( 0.327 2.198 2.489) 3.336 16.946 ( -3.483 -1.422 1.384) 4.009 17.049 ( -3.645 2.421 -1.198) 4.537 17.106 ( 3.869 -3.570 -0.290) 5.273 17.202 ( 2.572 0.065 0.918) 2.732 17.332 ( 0.133 0.713 -0.950) 1.195 17.379 ( 0.797 2.824 0.496) 2.976 17.610 ( -3.397 -0.857 1.956) 4.012 17.652 ( -0.973 0.599 -0.363) 1.199 17.838 ( 2.114 0.709 0.477) 2.280 17.896 ( 5.029 -1.014 -0.300) 5.139 18.050 ( -2.318 -1.464 -1.571) 3.160 18.091 ( -2.030 -0.618 1.103) 2.391 18.347 ( -1.177 -3.941 3.190) 5.205 18.376 ( 1.862 -2.424 -0.308) 3.072 18.670 ( 0.912 -5.383 -3.765) 6.632 18.684 ( -0.702 -4.415 -0.143) 4.473 20.719 ( -0.838 -1.624 -0.339) 1.858 20.764 ( 0.721 -2.244 0.604) 2.433 20.873 ( -4.081 -0.796 -0.301) 4.169 20.884 ( -1.006 -1.127 -2.753) 3.140 21.516 ( -0.461 0.992 0.544) 1.222 21.521 ( 0.349 1.201 -0.783) 1.476 21.538 ( -0.828 1.184 0.539) 1.542 21.544 ( -0.540 1.431 -0.333) 1.565 27.235 ( -1.645 0.118 0.936) 1.896 27.253 ( -0.377 0.231 -0.837) 0.946 27.285 ( 0.983 -0.148 0.532) 1.127 27.321 ( 1.562 -0.324 -0.982) 1.873 27.607 ( 0.249 0.797 0.023) 0.836 27.614 ( 0.234 1.017 0.406) 1.120 27.688 ( -0.390 0.914 -0.385) 1.066 27.694 ( -0.526 1.187 0.295) 1.331 35.068 ( 3.320 0.390 2.630) 4.254 35.229 ( 9.852 2.351 -2.398) 10.408 35.523 ( -0.449 -3.247 -1.755) 3.719 35.632 ( 2.004 0.492 1.365) 2.474 35.955 ( -3.799 -0.074 -0.394) 3.820 35.982 ( -1.981 0.893 -1.048) 2.413 36.506 ( 0.817 -1.238 -3.821) 4.099 36.628 ( 0.126 -1.767 2.771) 3.289 39.469 ( -2.592 -3.446 1.682) 4.628 39.563 ( -1.114 -4.589 5.350) 7.136 39.694 ( -0.128 1.800 -10.223) 10.381 40.002 ( -12.798 -0.087 -2.352) 13.012 40.191 ( 10.034 -4.495 11.381) 15.824 40.521 ( 10.026 6.826 -0.811) 12.156 41.120 ( -1.258 -2.530 0.134) 2.829 41.288 ( 2.037 -0.122 1.957) 2.827 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 13.183 8.762 -26.188) 30.601 1.794 ( -4.578 16.680 2.741) 17.512 2.018 ( 0.718 3.000 -8.126) 8.692 2.201 ( -19.012 12.440 8.234) 24.166 2.657 ( 4.802 2.955 7.279) 9.208 2.759 ( 1.312 0.850 -0.475) 1.634 2.873 ( 4.178 9.015 12.996) 16.359 2.911 ( 2.582 4.443 11.925) 12.985 2.958 ( 16.585 14.199 -15.102) 26.547 3.054 ( -0.440 4.906 -3.796) 6.218 3.334 ( -0.235 5.951 0.316) 5.964 3.425 ( -8.101 5.521 0.245) 9.807 3.466 ( -4.256 -0.178 -1.200) 4.425 3.593 ( -8.223 1.879 -8.135) 11.719 3.736 ( 6.417 -2.009 3.352) 7.513 3.885 ( -4.439 -2.555 -4.871) 7.068 4.032 ( 1.166 -6.271 4.235) 7.656 4.104 ( -1.212 -3.512 6.125) 7.164 4.196 ( 1.683 3.760 -3.848) 5.637 4.222 ( 1.562 3.312 -6.127) 7.137 4.336 ( -0.183 3.292 2.362) 4.056 4.353 ( -0.486 1.410 -1.850) 2.376 4.426 ( 1.834 6.611 2.648) 7.354 4.519 ( -2.383 4.366 -2.358) 5.505 4.605 ( 3.529 -1.149 -1.961) 4.198 4.657 ( -3.042 0.299 0.790) 3.157 4.771 ( 3.038 -1.694 6.179) 7.091 4.843 ( 5.467 -2.672 -5.621) 8.284 4.855 ( -1.764 -2.419 2.297) 3.773 4.896 ( -2.607 -6.230 -0.334) 6.761 5.047 ( 8.620 2.308 -0.973) 8.976 5.202 ( -4.908 4.025 3.106) 7.067 5.294 ( -3.639 -2.475 -0.302) 4.411 5.316 ( 3.664 -3.228 2.988) 5.724 5.440 ( 0.384 0.720 4.919) 4.986 5.456 ( -1.079 1.686 0.756) 2.140 5.490 ( -3.028 1.267 0.254) 3.292 5.563 ( -7.091 1.235 -1.970) 7.462 5.599 ( -0.121 4.135 2.505) 4.836 5.720 ( -2.295 -2.460 -3.957) 5.194 5.797 ( 1.992 -1.370 7.974) 8.333 5.903 ( 0.336 2.476 -2.927) 3.849 6.015 ( 6.584 -0.637 2.419) 7.043 6.111 ( 0.965 -3.379 3.630) 5.052 6.169 ( 3.215 -1.298 -0.380) 3.488 6.265 ( 0.413 1.490 -0.223) 1.563 6.284 ( -0.618 -0.260 0.856) 1.088 6.364 ( -3.975 -0.629 -5.383) 6.721 6.416 ( -4.901 2.011 -1.230) 5.438 6.425 ( -3.532 -2.758 -0.947) 4.580 6.576 ( 3.522 -0.299 -1.353) 3.785 6.681 ( -3.340 -0.861 -2.183) 4.082 6.706 ( -0.262 6.000 -0.456) 6.023 6.758 ( -2.181 0.595 0.431) 2.302 6.819 ( 1.370 -2.841 -1.679) 3.573 6.846 ( 4.445 -3.059 -2.084) 5.785 6.917 ( -4.646 0.748 1.849) 5.056 6.952 ( -0.481 0.246 -1.844) 1.921 7.111 ( -0.523 0.956 2.637) 2.853 7.134 ( 0.303 0.579 -3.485) 3.545 7.221 ( -0.825 0.001 6.422) 6.475 7.240 ( 5.051 -2.095 1.447) 5.657 7.283 ( 3.902 0.789 4.375) 5.915 7.304 ( 3.581 -1.836 -0.648) 4.076 7.400 ( 1.039 -0.340 -0.768) 1.336 7.465 ( -1.468 -2.445 -1.540) 3.241 7.496 ( 2.303 0.827 -2.969) 3.847 7.550 ( -5.296 0.930 0.932) 5.457 7.593 ( -2.605 3.666 1.317) 4.686 7.635 ( -1.803 3.061 -6.191) 7.138 7.789 ( 3.199 -1.193 1.093) 3.585 7.823 ( 0.784 -3.497 3.054) 4.709 7.876 ( 0.842 -4.914 -3.675) 6.194 7.890 ( -3.948 -0.341 -5.921) 7.125 8.029 ( 6.147 5.411 -1.204) 8.277 8.123 ( -4.223 2.771 4.096) 6.503 8.187 ( 2.113 -6.002 -0.469) 6.380 8.232 ( -1.359 -8.786 -1.191) 8.970 8.289 ( -0.400 -2.749 0.125) 2.781 8.358 ( -0.030 0.570 -2.385) 2.452 8.467 ( 2.692 0.935 6.217) 6.839 8.526 ( 1.243 2.131 -1.438) 2.856 8.599 ( 2.998 2.746 -0.819) 4.147 8.675 ( 0.946 3.066 0.269) 3.220 8.724 ( -4.846 -1.563 0.737) 5.145 8.818 ( -5.563 0.653 -1.580) 5.820 9.035 ( -1.157 0.252 6.417) 6.525 9.088 ( -2.010 0.822 -0.150) 2.177 9.211 ( 1.155 0.590 -2.599) 2.905 9.248 ( -2.293 2.088 -4.560) 5.514 9.653 ( 1.028 -4.739 7.674) 9.078 9.737 ( 0.886 -2.376 -7.813) 8.214 10.069 ( 2.327 7.343 7.975) 11.088 10.197 ( -3.468 4.270 -3.906) 6.746 10.482 ( 3.257 -2.600 -1.137) 4.320 10.518 ( -1.158 0.050 0.795) 1.405 11.131 ( 5.621 5.474 -8.918) 11.879 11.154 ( -6.160 6.928 9.497) 13.272 12.026 ( -2.833 -1.969 8.622) 9.286 12.063 ( 2.665 -1.250 -8.733) 9.216 12.433 ( 3.648 -1.603 3.236) 5.133 12.509 ( 0.460 -3.630 -3.696) 5.200 13.328 ( 2.490 -7.070 9.937) 12.447 13.479 ( -4.081 -9.853 -2.736) 11.010 14.973 ( 0.093 5.574 3.260) 6.458 15.077 ( -3.701 5.509 -6.859) 9.544 15.946 ( 1.599 3.023 1.069) 3.583 15.983 ( -1.301 2.793 0.269) 3.092 16.925 ( -0.278 0.490 1.721) 1.810 16.967 ( -2.810 2.128 -1.607) 3.874 17.177 ( 3.041 -3.452 0.785) 4.667 17.226 ( -0.733 -1.950 -0.698) 2.197 17.349 ( 2.489 0.728 -0.370) 2.620 17.386 ( -0.785 1.895 0.084) 2.053 17.575 ( -0.800 0.675 0.664) 1.240 17.606 ( -3.154 1.554 0.331) 3.532 17.903 ( 3.503 0.008 0.878) 3.611 17.974 ( -0.613 -2.124 -2.018) 2.993 17.994 ( 2.191 -0.733 -0.628) 2.394 18.051 ( -3.403 -1.322 1.570) 3.974 18.385 ( 0.826 -4.970 4.222) 6.573 18.412 ( 1.323 -3.689 -0.444) 3.944 18.637 ( 1.297 -4.544 -5.675) 7.385 18.647 ( -2.999 -3.689 1.099) 4.880 20.715 ( 0.480 -0.598 0.845) 1.141 20.760 ( -2.146 -1.068 -1.549) 2.854 20.808 ( -0.142 -0.131 0.361) 0.409 20.837 ( -1.228 -0.776 -1.910) 2.400 21.515 ( -0.239 1.129 0.606) 1.303 21.519 ( 0.142 1.346 -0.602) 1.481 21.529 ( -0.268 0.968 -0.046) 1.006 21.531 ( -0.387 0.922 -0.074) 1.003 27.228 ( -0.517 0.307 1.770) 1.870 27.240 ( 0.170 0.167 -1.608) 1.625 27.310 ( 0.896 -0.330 0.620) 1.139 27.327 ( 0.013 -0.421 -0.804) 0.908 27.615 ( 0.486 0.693 0.017) 0.847 27.621 ( -0.097 0.877 0.310) 0.935 27.680 ( -0.037 0.949 -0.195) 0.969 27.685 ( -0.595 1.145 0.097) 1.294 35.208 ( 5.335 -1.435 4.922) 7.399 35.310 ( 0.397 0.931 -3.867) 3.997 35.569 ( 6.438 -2.892 0.062) 7.059 35.663 ( -0.744 0.657 -0.149) 1.004 35.876 ( -2.967 1.204 1.069) 3.376 35.912 ( -3.236 2.190 -2.206) 4.487 36.535 ( 4.483 -2.092 -1.203) 5.091 36.612 ( -3.467 -2.301 0.673) 4.215 39.482 ( 0.339 0.071 5.424) 5.435 39.561 ( -1.403 -0.489 -3.783) 4.064 39.659 ( 2.647 -1.479 -0.025) 3.032 39.773 ( -7.248 -2.224 -3.880) 8.516 40.440 ( 6.007 -3.345 7.878) 10.456 40.576 ( -1.486 2.463 -3.932) 4.872 41.191 ( 4.713 -3.537 4.332) 7.313 41.294 ( -1.904 -1.806 -1.570) 3.058 ======================= Grid point 147 (72/80) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -5.819 18.300 -15.075) 24.413 2.217 ( 5.819 18.300 15.075) 24.413 2.299 ( 3.244 8.663 -14.102) 16.866 2.299 ( -3.244 8.663 14.102) 16.866 2.585 ( 3.947 2.206 -9.070) 10.135 2.585 ( -3.947 2.206 9.070) 10.135 3.098 ( 1.114 5.935 -1.521) 6.227 3.098 ( -1.114 5.935 1.521) 6.227 3.167 ( -3.071 9.866 -2.418) 10.612 3.167 ( 3.071 9.866 2.418) 10.612 3.557 ( -6.427 2.615 -5.935) 9.131 3.557 ( 6.427 2.615 5.935) 9.131 3.778 ( 1.924 1.555 -1.359) 2.822 3.778 ( -1.924 1.555 1.359) 2.822 3.862 ( -0.702 5.183 -5.244) 7.407 3.862 ( 0.702 5.183 5.244) 7.407 4.098 ( -5.973 5.816 -8.694) 12.045 4.098 ( 5.973 5.816 8.694) 12.045 4.205 ( -2.755 3.555 -3.682) 5.812 4.205 ( 2.755 3.555 3.682) 5.812 4.325 ( -2.499 0.086 -4.606) 5.241 4.325 ( 2.499 0.086 4.606) 5.241 4.481 ( 2.892 6.054 -3.427) 7.534 4.481 ( -2.892 6.054 3.427) 7.534 4.551 ( 0.407 -1.373 -7.600) 7.734 4.551 ( -0.407 -1.373 7.600) 7.734 4.752 ( -0.979 -1.371 -3.243) 3.655 4.752 ( 0.979 -1.371 3.243) 3.655 4.821 ( 1.056 0.091 -2.807) 3.001 4.821 ( -1.056 0.091 2.807) 3.001 5.054 ( -0.835 -2.781 -2.762) 4.007 5.054 ( 0.835 -2.781 2.762) 4.007 5.236 ( -5.486 2.952 -5.194) 8.111 5.236 ( 5.486 2.952 5.194) 8.111 5.448 ( 1.458 -1.490 -7.800) 8.073 5.448 ( -1.458 -1.490 7.800) 8.073 5.578 ( -4.333 1.258 -4.426) 6.321 5.578 ( 4.333 1.258 4.427) 6.321 5.759 ( 2.837 3.214 -5.065) 6.636 5.759 ( -2.837 3.214 5.065) 6.636 5.848 ( 4.567 0.195 -4.416) 6.355 5.848 ( -4.567 0.195 4.416) 6.355 5.945 ( -6.535 -4.891 -0.987) 8.222 5.945 ( 6.535 -4.891 0.987) 8.222 6.194 ( -9.006 -8.197 -1.271) 12.244 6.194 ( 9.006 -8.197 1.271) 12.244 6.370 ( -1.158 -4.222 -1.813) 4.739 6.370 ( 1.158 -4.222 1.813) 4.739 6.513 ( 5.276 1.931 -6.345) 8.475 6.513 ( -5.276 1.931 6.345) 8.475 6.650 ( 5.737 -2.041 -3.527) 7.037 6.650 ( -5.737 -2.041 3.527) 7.037 6.716 ( -0.542 4.489 -2.784) 5.310 6.716 ( 0.542 4.489 2.784) 5.310 6.860 ( -1.901 0.512 -2.938) 3.537 6.860 ( 1.901 0.512 2.938) 3.537 6.942 ( -1.047 -1.531 -2.588) 3.184 6.942 ( 1.047 -1.531 2.588) 3.184 7.087 ( -2.938 -0.433 -3.819) 4.838 7.087 ( 2.938 -0.433 3.819) 4.838 7.256 ( 0.005 4.493 -1.869) 4.866 7.256 ( -0.005 4.493 1.869) 4.866 7.294 ( 2.259 -1.643 -4.234) 5.073 7.294 ( -2.259 -1.643 4.234) 5.073 7.409 ( -3.334 4.533 -4.449) 7.173 7.409 ( 3.334 4.533 4.449) 7.173 7.504 ( 1.505 -0.755 -2.823) 3.287 7.504 ( -1.505 -0.755 2.823) 3.287 7.707 ( 0.498 1.625 -3.306) 3.717 7.707 ( -0.498 1.625 3.306) 3.717 7.744 ( -1.222 -3.432 -2.311) 4.314 7.744 ( 1.222 -3.432 2.311) 4.314 7.948 ( -1.649 -4.353 -5.648) 7.318 7.948 ( 1.649 -4.353 5.648) 7.318 8.017 ( -0.804 -0.152 -2.683) 2.805 8.017 ( 0.804 -0.152 2.683) 2.805 8.162 ( 0.169 -1.284 -3.695) 3.916 8.162 ( -0.169 -1.284 3.695) 3.916 8.257 ( -1.504 4.009 -7.295) 8.459 8.257 ( 1.504 4.009 7.295) 8.459 8.438 ( -0.435 -0.932 -0.784) 1.293 8.438 ( 0.435 -0.932 0.784) 1.293 8.540 ( -3.685 -4.052 -2.901) 6.198 8.540 ( 3.685 -4.052 2.901) 6.198 8.914 ( -3.742 -1.280 -1.327) 4.172 8.914 ( 3.742 -1.280 1.327) 4.172 9.149 ( 0.715 1.790 -3.528) 4.020 9.149 ( -0.715 1.790 3.528) 4.020 9.299 ( -2.107 0.930 -0.986) 2.505 9.299 ( 2.107 0.930 0.986) 2.505 9.656 ( -5.560 -0.978 -3.487) 6.636 9.656 ( 5.560 -0.978 3.487) 6.636 10.224 ( -2.835 5.134 -1.363) 6.020 10.224 ( 2.835 5.134 1.363) 6.020 10.470 ( 0.322 -0.041 -4.994) 5.004 10.470 ( -0.322 -0.041 4.994) 5.004 11.269 ( 4.514 7.065 -13.450) 15.849 11.269 ( -4.514 7.065 13.450) 15.849 11.964 ( 5.859 -5.600 -9.327) 12.356 11.964 ( -5.859 -5.600 9.327) 12.356 12.417 ( 1.739 3.563 -6.128) 7.299 12.417 ( -1.739 3.563 6.128) 7.299 13.166 ( 6.480 -10.634 -5.894) 13.777 13.166 ( -6.480 -10.634 5.894) 13.777 15.221 ( -0.657 2.968 -5.256) 6.072 15.221 ( 0.657 2.968 5.256) 6.072 15.978 ( -0.304 1.545 -2.000) 2.545 15.978 ( 0.304 1.545 2.000) 2.545 16.981 ( 1.369 -0.665 -1.361) 2.041 16.981 ( -1.369 -0.665 1.361) 2.041 17.150 ( -0.823 0.014 -2.771) 2.890 17.150 ( 0.823 0.014 2.771) 2.890 17.392 ( -0.313 1.323 -2.251) 2.629 17.392 ( 0.313 1.323 2.251) 2.629 17.592 ( 3.148 -3.738 -3.623) 6.084 17.592 ( -3.148 -3.738 3.623) 6.084 17.859 ( -0.109 1.589 -1.519) 2.201 17.859 ( 0.109 1.589 1.519) 2.201 18.050 ( 1.408 -3.143 -3.396) 4.837 18.050 ( -1.408 -3.143 3.396) 4.837 18.308 ( 2.448 -1.386 -2.825) 3.987 18.308 ( -2.448 -1.386 2.825) 3.987 18.561 ( 1.227 -6.064 -3.681) 7.199 18.561 ( -1.227 -6.064 3.681) 7.199 20.702 ( -0.373 -1.576 -0.750) 1.785 20.702 ( 0.373 -1.576 0.750) 1.785 20.869 ( 0.767 -2.473 -1.569) 3.028 20.869 ( -0.767 -2.473 1.569) 3.028 21.541 ( -0.046 1.079 -0.359) 1.138 21.541 ( 0.046 1.079 0.359) 1.138 21.578 ( 0.569 1.238 -1.817) 2.271 21.578 ( -0.569 1.238 1.817) 2.271 27.253 ( -0.215 -0.060 -0.376) 0.437 27.253 ( 0.215 -0.060 0.376) 0.437 27.292 ( -0.313 0.098 -0.643) 0.722 27.292 ( 0.313 0.098 0.643) 0.722 27.634 ( 0.120 1.611 -0.524) 1.699 27.634 ( -0.120 1.611 0.524) 1.699 27.718 ( 0.084 0.873 -0.755) 1.157 27.718 ( -0.084 0.873 0.755) 1.157 35.117 ( -6.094 2.168 0.893) 6.530 35.117 ( 6.094 2.168 -0.893) 6.530 35.541 ( -1.425 -1.860 -3.353) 4.090 35.541 ( 1.425 -1.860 3.353) 4.090 36.007 ( 1.448 0.763 -2.912) 3.340 36.007 ( -1.448 0.763 2.912) 3.340 36.532 ( 3.303 -2.135 -10.067) 10.808 36.532 ( -3.303 -2.135 10.067) 10.808 39.439 ( 2.445 -2.287 -5.347) 6.308 39.439 ( -2.445 -2.287 5.347) 6.308 39.768 ( -1.749 -8.087 -10.632) 13.472 39.768 ( 1.749 -8.087 10.632) 13.472 40.462 ( -8.501 11.350 -5.464) 15.197 40.462 ( 8.501 11.350 5.464) 15.197 41.163 ( 3.062 -3.370 -9.868) 10.868 41.163 ( -3.062 -3.370 9.868) 10.868 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 1.185 16.917 -14.882) 22.562 2.194 ( 3.946 9.967 -17.408) 20.444 2.248 ( -11.533 7.966 8.328) 16.304 2.546 ( 5.783 1.318 2.590) 6.472 2.586 ( 4.013 15.592 11.655) 19.876 2.670 ( 6.362 3.374 -1.824) 7.429 3.027 ( -6.746 12.319 6.342) 15.410 3.076 ( -2.448 10.110 3.229) 10.891 3.137 ( -0.322 3.993 1.107) 4.156 3.308 ( -4.126 18.818 -9.642) 21.543 3.318 ( 3.822 0.203 5.930) 7.058 3.581 ( -1.093 0.952 -2.658) 3.027 3.664 ( -8.821 0.213 -3.099) 9.352 3.772 ( 0.071 6.646 -6.437) 9.253 3.825 ( -5.174 4.762 0.139) 7.033 3.859 ( 1.696 -1.676 0.917) 2.555 4.004 ( -1.749 0.633 -5.535) 5.839 4.087 ( -3.285 2.907 1.597) 4.668 4.201 ( 2.828 0.536 -3.730) 4.711 4.230 ( 2.240 1.341 -1.852) 3.200 4.360 ( -2.710 -0.574 0.062) 2.771 4.388 ( 1.810 0.815 -1.235) 2.338 4.494 ( 1.023 -1.292 1.095) 1.978 4.541 ( 6.038 3.059 -2.936) 7.378 4.629 ( 7.490 5.580 6.556) 11.411 4.649 ( 2.797 3.235 1.605) 4.568 4.720 ( 1.442 -0.379 -0.872) 1.727 4.777 ( -0.737 3.009 0.808) 3.201 4.804 ( -2.293 -3.066 4.818) 6.154 4.855 ( 1.225 1.800 -2.211) 3.103 4.987 ( 2.033 -0.612 -2.226) 3.076 5.054 ( 3.997 -2.090 -0.144) 4.512 5.275 ( 3.619 0.675 5.174) 6.350 5.332 ( -4.569 -3.831 -2.321) 6.398 5.419 ( -5.580 -0.156 0.458) 5.601 5.472 ( 5.967 -0.277 5.624) 8.204 5.510 ( 1.677 3.126 -1.422) 3.822 5.649 ( -1.581 1.856 4.454) 5.078 5.738 ( -4.370 1.495 -2.325) 5.170 5.768 ( -6.190 -0.503 0.901) 6.276 5.802 ( -0.576 1.368 5.138) 5.348 5.853 ( -0.654 0.380 -0.691) 1.025 5.913 ( 3.948 2.473 2.023) 5.079 6.012 ( -2.627 -2.427 0.833) 3.673 6.092 ( 5.228 -7.154 0.523) 8.876 6.281 ( -2.464 -1.471 1.822) 3.399 6.290 ( 1.572 -9.462 -2.332) 9.871 6.412 ( -4.294 3.700 -0.368) 5.680 6.461 ( 1.799 -6.833 -2.844) 7.617 6.512 ( -4.527 5.341 1.116) 7.090 6.594 ( -2.211 -3.610 -1.069) 4.366 6.640 ( -1.157 0.928 -3.084) 3.422 6.702 ( -0.611 1.398 -0.927) 1.786 6.786 ( 3.273 1.740 0.441) 3.733 6.842 ( -1.662 -7.562 2.653) 8.185 6.852 ( 1.917 3.328 0.053) 3.841 6.944 ( -1.798 -0.143 -1.406) 2.287 6.973 ( 1.809 1.417 -0.824) 2.441 7.067 ( 4.403 -0.305 1.444) 4.644 7.144 ( 0.357 2.445 1.374) 2.827 7.199 ( -2.089 2.124 -4.066) 5.041 7.249 ( -1.558 4.963 -5.011) 7.223 7.254 ( -0.081 -1.393 -1.688) 2.190 7.291 ( -1.185 2.042 2.557) 3.481 7.350 ( 2.278 0.186 0.671) 2.382 7.443 ( -2.954 -0.212 1.252) 3.215 7.504 ( 0.190 1.454 1.177) 1.881 7.588 ( 4.091 -4.040 0.155) 5.751 7.659 ( -5.361 -2.618 2.940) 6.651 7.698 ( -3.389 1.897 -0.199) 3.889 7.740 ( 2.760 -0.705 1.075) 3.045 7.815 ( 3.566 0.015 -2.324) 4.256 7.840 ( -0.759 -2.939 -5.829) 6.572 7.946 ( 0.279 -0.081 -2.939) 2.953 8.000 ( -1.286 -0.631 -5.561) 5.743 8.086 ( 5.159 -0.580 -3.624) 6.331 8.123 ( 0.176 -4.769 1.130) 4.904 8.144 ( -0.318 1.278 1.528) 2.017 8.256 ( 3.271 -1.656 -0.867) 3.767 8.354 ( 0.370 -0.492 1.026) 1.197 8.442 ( -1.965 2.906 5.896) 6.861 8.486 ( 2.409 -0.330 2.545) 3.520 8.518 ( 5.037 -2.628 -2.273) 6.119 8.667 ( 4.268 2.599 0.442) 5.016 8.767 ( -6.054 -2.952 1.082) 6.822 8.967 ( -0.673 -2.128 3.085) 3.808 9.035 ( -7.556 0.422 -0.322) 7.574 9.174 ( -2.048 3.168 1.465) 4.047 9.262 ( -1.370 4.496 -1.236) 4.860 9.379 ( 4.016 0.571 -1.068) 4.195 9.486 ( -4.775 -3.568 -3.074) 6.707 9.741 ( 1.908 -0.371 -1.538) 2.479 10.177 ( -1.501 6.862 1.339) 7.151 10.292 ( 0.437 3.262 4.655) 5.701 10.398 ( -1.314 -2.249 -1.613) 3.063 10.539 ( 1.652 -0.103 -0.632) 1.772 11.236 ( 4.904 6.045 -10.071) 12.729 11.321 ( -5.142 7.875 12.763) 15.854 11.934 ( -2.815 -4.902 4.821) 7.429 12.002 ( 3.799 -6.004 -5.154) 8.777 12.400 ( 1.934 3.811 -3.046) 5.248 12.455 ( 0.258 1.282 2.609) 2.918 13.103 ( -5.530 -9.217 9.278) 14.199 13.255 ( 5.039 -12.289 -3.873) 13.835 15.125 ( -2.532 5.317 -3.367) 6.784 15.254 ( -1.502 2.940 0.655) 3.366 15.974 ( 0.945 2.365 0.052) 2.547 16.013 ( 0.213 1.013 3.072) 3.242 16.939 ( -2.256 0.730 2.344) 3.335 17.045 ( 3.839 -1.805 -0.504) 4.272 17.090 ( -2.398 1.197 -2.915) 3.960 17.189 ( 0.692 -1.222 1.552) 2.093 17.346 ( -1.106 0.464 -1.046) 1.591 17.415 ( 0.066 0.374 -0.020) 0.380 17.573 ( -2.328 -2.474 3.431) 4.828 17.636 ( 2.521 -2.581 -1.724) 3.999 17.860 ( 1.726 0.966 -0.267) 1.996 17.890 ( 1.587 0.752 0.999) 2.021 18.012 ( -2.218 -2.185 -0.230) 3.123 18.054 ( -1.135 -3.074 -0.003) 3.276 18.273 ( -2.481 -2.486 2.424) 4.267 18.332 ( 1.606 -1.508 -1.528) 2.681 18.544 ( 1.263 -6.152 -3.800) 7.341 18.577 ( -0.827 -5.692 1.482) 5.939 20.693 ( 0.067 -0.914 -0.305) 0.965 20.719 ( 0.417 -1.948 0.939) 2.202 20.845 ( -1.938 -1.896 -0.596) 2.776 20.851 ( -0.845 -1.827 -1.794) 2.696 21.537 ( 0.113 1.028 -0.509) 1.152 21.545 ( 0.152 1.160 -0.099) 1.174 21.566 ( -0.212 1.235 -1.046) 1.633 21.575 ( -1.637 1.298 1.568) 2.613 27.240 ( -0.890 0.424 0.712) 1.216 27.257 ( -0.316 0.157 -0.503) 0.614 27.282 ( 0.570 -0.096 0.216) 0.617 27.313 ( 0.860 -0.466 -0.362) 1.044 27.631 ( 0.016 1.503 0.103) 1.507 27.641 ( 0.138 1.544 0.401) 1.601 27.708 ( -0.162 0.855 -0.874) 1.233 27.718 ( -0.540 0.989 0.475) 1.223 35.090 ( 1.937 1.770 1.583) 3.064 35.281 ( 10.851 2.138 -0.985) 11.103 35.455 ( -3.638 -2.960 -1.473) 4.916 35.625 ( 3.340 -1.247 0.995) 3.701 35.964 ( -3.128 1.045 -0.224) 3.306 36.005 ( -0.726 1.346 -0.865) 1.757 36.472 ( 0.353 -1.937 -4.502) 4.913 36.576 ( -1.131 -3.300 3.224) 4.750 39.432 ( 0.191 -0.535 2.093) 2.169 39.477 ( 0.853 -3.306 2.530) 4.249 39.648 ( 0.152 -4.911 -8.947) 10.207 39.853 ( -5.835 -10.550 7.295) 14.091 40.318 ( 0.833 12.321 -0.901) 12.382 40.673 ( 6.430 8.031 1.264) 10.365 41.057 ( -3.289 -3.805 0.406) 5.045 41.244 ( 1.967 -4.120 0.099) 4.567 ======================= Grid point 150 (74/80) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 6.663 11.749 -15.126) 20.278 2.032 ( -13.724 5.899 5.347) 15.866 2.239 ( 10.066 17.980 -3.494) 20.900 2.448 ( -10.578 11.099 -1.167) 15.377 2.760 ( 7.288 6.216 -2.415) 9.878 2.832 ( -0.186 7.825 6.321) 10.061 2.976 ( 0.390 2.912 4.132) 5.070 3.082 ( -1.538 5.388 -3.513) 6.614 3.200 ( 1.395 13.446 14.430) 19.774 3.315 ( 4.952 6.676 -5.042) 9.722 3.414 ( 1.285 1.748 8.371) 8.647 3.523 ( 0.934 8.338 -4.725) 9.629 3.551 ( -1.680 7.205 -0.130) 7.399 3.628 ( -8.518 4.551 -8.541) 12.892 3.773 ( 5.403 7.345 -4.186) 10.033 3.872 ( -5.649 2.228 -2.631) 6.618 3.898 ( 1.749 -5.345 2.281) 6.069 4.005 ( -6.318 -4.157 -0.037) 7.563 4.270 ( 4.523 0.208 -3.776) 5.896 4.291 ( 4.615 1.648 0.069) 4.901 4.315 ( -2.725 -3.432 0.905) 4.475 4.359 ( -2.383 -2.433 1.107) 3.581 4.506 ( 2.786 -1.563 -1.984) 3.761 4.565 ( 1.587 0.549 -3.211) 3.623 4.620 ( -3.729 2.372 -2.166) 4.921 4.652 ( -6.367 0.324 1.454) 6.539 4.760 ( 0.851 -2.774 1.551) 3.290 4.786 ( -0.483 -2.926 -0.403) 2.993 4.862 ( 6.426 6.939 -4.166) 10.335 4.877 ( 1.423 5.916 3.974) 7.267 5.094 ( 7.644 1.188 -0.778) 7.774 5.196 ( -0.231 -2.342 3.979) 4.623 5.267 ( -1.671 1.243 2.326) 3.122 5.299 ( -1.945 1.208 -0.803) 2.426 5.426 ( 3.471 -1.299 10.074) 10.734 5.495 ( 2.369 0.378 -4.302) 4.925 5.550 ( -5.251 3.278 0.216) 6.194 5.592 ( -5.825 2.208 -1.511) 6.410 5.655 ( 3.072 1.352 -2.793) 4.366 5.699 ( -2.675 1.642 -1.634) 3.538 5.792 ( 0.728 -0.397 8.669) 8.709 5.897 ( -0.978 -3.040 -0.051) 3.194 6.024 ( 4.539 1.115 1.164) 4.817 6.058 ( 0.780 -1.276 4.653) 4.888 6.148 ( 2.519 -1.409 1.201) 3.126 6.246 ( -1.451 -5.032 -4.059) 6.626 6.292 ( -1.195 0.791 1.915) 2.392 6.341 ( -5.240 -0.369 -2.706) 5.909 6.402 ( 1.096 0.152 -0.410) 1.180 6.456 ( -2.047 2.710 -2.916) 4.476 6.561 ( 1.971 -0.396 1.386) 2.442 6.641 ( -4.629 -2.545 2.732) 5.947 6.664 ( 2.283 -4.016 -1.167) 4.764 6.743 ( -3.436 -2.425 -6.854) 8.041 6.842 ( 4.293 2.038 -1.806) 5.084 6.878 ( -0.583 -3.370 3.742) 5.070 6.943 ( -0.868 6.371 0.542) 6.452 6.979 ( -0.866 3.562 -2.913) 4.682 7.164 ( 0.119 4.840 2.549) 5.472 7.173 ( 3.397 0.703 -1.463) 3.765 7.210 ( 4.350 -0.275 -0.544) 4.392 7.219 ( 0.989 2.355 5.081) 5.687 7.249 ( 2.002 -2.577 -1.133) 3.454 7.291 ( -0.023 -1.058 -2.929) 3.115 7.358 ( -2.377 -3.215 -2.086) 4.510 7.390 ( -3.392 -3.636 1.583) 5.218 7.520 ( 1.387 1.056 0.732) 1.891 7.561 ( -3.679 -0.190 3.414) 5.023 7.627 ( -1.489 -0.161 5.537) 5.736 7.725 ( -2.434 3.227 -8.422) 9.342 7.740 ( 5.024 -1.692 -2.196) 5.738 7.786 ( 0.469 0.670 -0.669) 1.057 7.830 ( -0.067 -1.260 1.407) 1.890 7.883 ( -2.125 -0.221 -4.830) 5.281 7.994 ( 3.174 -7.531 1.612) 8.330 8.079 ( -2.522 -5.807 -3.779) 7.373 8.117 ( 0.966 -2.429 -1.080) 2.828 8.201 ( -7.076 0.676 -1.383) 7.241 8.257 ( 7.025 2.545 2.252) 7.804 8.354 ( -0.687 -2.445 -0.537) 2.595 8.511 ( 3.774 3.452 5.513) 7.520 8.559 ( 3.566 2.323 -1.581) 4.540 8.620 ( 1.941 -2.694 0.546) 3.365 8.670 ( 4.798 2.410 -0.195) 5.373 8.745 ( -3.525 1.280 -1.490) 4.035 8.855 ( -9.994 2.949 0.447) 10.430 9.026 ( 3.381 -1.153 4.746) 5.940 9.124 ( -4.687 2.237 1.577) 5.428 9.235 ( 0.448 2.469 -0.131) 2.512 9.297 ( -2.446 1.451 -6.218) 6.838 9.569 ( 5.542 -2.694 4.962) 7.912 9.701 ( -2.697 -0.756 -4.395) 5.212 10.204 ( 2.286 5.246 2.078) 6.088 10.280 ( -3.978 3.136 0.583) 5.099 10.426 ( 3.129 -2.266 2.309) 4.501 10.511 ( -2.207 -0.921 -2.957) 3.803 11.255 ( 7.506 6.272 -9.970) 13.967 11.308 ( -8.410 7.368 11.141) 15.784 11.955 ( -0.683 -5.011 5.500) 7.472 11.996 ( 1.368 -5.455 -5.649) 7.971 12.428 ( 2.293 1.755 -0.183) 2.893 12.463 ( -0.858 0.073 -0.179) 0.880 13.151 ( -0.797 -9.906 11.281) 15.034 13.249 ( 0.411 -12.238 -7.754) 14.493 15.104 ( 2.323 6.662 0.177) 7.058 15.187 ( -4.236 4.940 -1.611) 6.704 16.007 ( 1.810 2.429 0.340) 3.048 16.031 ( -1.079 1.583 1.630) 2.515 16.948 ( 0.463 1.755 2.989) 3.497 17.009 ( -2.524 1.948 -3.028) 4.397 17.116 ( 3.554 -2.438 0.544) 4.344 17.182 ( -2.359 -2.244 -0.289) 3.269 17.353 ( 2.515 -0.462 -0.403) 2.588 17.400 ( -1.697 -0.680 -0.239) 1.844 17.575 ( -0.321 -0.797 3.155) 3.270 17.622 ( -1.509 -0.647 -2.316) 2.839 17.910 ( 2.949 0.443 -0.183) 2.987 17.935 ( 1.601 -1.070 0.330) 1.954 17.974 ( -1.054 -1.214 0.379) 1.652 18.012 ( -2.761 -2.511 -0.246) 3.740 18.285 ( 0.291 -3.830 4.101) 5.618 18.332 ( 0.105 -3.413 -2.825) 4.431 18.534 ( 2.139 -4.994 -3.935) 6.708 18.556 ( -2.687 -4.930 1.794) 5.895 20.704 ( 1.032 -0.549 0.485) 1.266 20.728 ( -0.589 -1.697 0.251) 1.814 20.803 ( -1.039 -0.531 -0.210) 1.186 20.815 ( -0.819 -1.234 -1.743) 2.287 21.538 ( 0.583 1.087 -0.461) 1.317 21.546 ( 0.030 1.233 -0.195) 1.248 21.553 ( -0.125 1.093 -0.714) 1.312 21.556 ( -1.412 1.403 1.245) 2.348 27.238 ( -0.480 0.580 1.364) 1.558 27.246 ( 0.105 0.370 -1.235) 1.294 27.301 ( 0.800 -0.550 0.391) 1.047 27.315 ( -0.194 -0.674 -0.415) 0.815 27.637 ( 0.413 1.328 0.053) 1.392 27.644 ( -0.344 1.335 0.339) 1.420 27.701 ( 0.457 1.010 -0.762) 1.345 27.709 ( -0.843 1.067 0.437) 1.428 35.194 ( 5.877 0.260 2.394) 6.351 35.326 ( -4.790 0.547 -2.372) 5.373 35.513 ( 9.696 -2.394 0.586) 10.004 35.651 ( -2.691 -1.798 -0.239) 3.245 35.918 ( -0.398 2.821 0.708) 2.936 35.963 ( -2.575 2.773 -1.202) 3.970 36.478 ( 4.113 -3.353 -2.724) 5.965 36.546 ( -4.312 -4.059 1.777) 6.183 39.488 ( 1.083 0.263 5.115) 5.235 39.518 ( 0.852 -2.803 1.277) 3.196 39.599 ( 4.668 -4.220 -8.298) 10.415 39.711 ( -10.392 -4.311 1.853) 11.402 40.454 ( 7.926 5.154 5.146) 10.765 40.646 ( -5.851 4.598 -4.474) 8.683 41.115 ( 4.749 -3.951 4.338) 7.549 41.228 ( -2.447 -4.547 -2.597) 5.780 ======================= Grid point 153 (75/80) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 2.169 0.858 -8.647) 8.956 2.380 ( -2.169 0.858 8.647) 8.956 2.543 ( 3.312 11.839 -8.175) 14.763 2.543 ( -3.312 11.839 8.175) 14.763 2.734 ( 4.383 11.234 -12.130) 17.104 2.734 ( -4.383 11.234 12.130) 17.104 3.134 ( -0.625 0.899 -5.075) 5.192 3.134 ( 0.625 0.899 5.075) 5.192 3.299 ( -1.699 0.705 -6.188) 6.456 3.299 ( 1.699 0.705 6.188) 6.456 3.594 ( -2.154 -2.020 -5.388) 6.144 3.594 ( 2.154 -2.020 5.388) 6.144 3.738 ( 1.036 1.804 -7.345) 7.634 3.738 ( -1.036 1.804 7.345) 7.634 4.001 ( -7.216 1.137 -0.136) 7.307 4.001 ( 7.216 1.137 0.136) 7.307 4.205 ( -2.762 4.395 -10.084) 11.342 4.205 ( 2.762 4.395 10.084) 11.342 4.260 ( -2.326 1.808 -4.974) 5.781 4.260 ( 2.326 1.808 4.974) 5.781 4.394 ( -4.895 4.939 -2.805) 7.499 4.394 ( 4.895 4.939 2.805) 7.499 4.513 ( -0.935 1.681 -4.697) 5.076 4.513 ( 0.935 1.681 4.697) 5.076 4.614 ( 0.350 4.976 -3.706) 6.214 4.614 ( -0.350 4.976 3.706) 6.214 4.721 ( -0.903 -0.940 -1.522) 2.004 4.721 ( 0.903 -0.940 1.522) 2.004 4.839 ( 0.863 0.786 -1.469) 1.876 4.839 ( -0.863 0.786 1.469) 1.876 5.043 ( -0.487 3.213 -2.726) 4.242 5.043 ( 0.487 3.213 2.726) 4.242 5.296 ( -7.679 1.154 -4.637) 9.045 5.296 ( 7.679 1.154 4.637) 9.045 5.407 ( -3.565 -1.917 -3.034) 5.059 5.407 ( 3.565 -1.917 3.034) 5.059 5.632 ( -4.077 2.861 0.048) 4.981 5.632 ( 4.077 2.861 -0.048) 4.981 5.721 ( 0.627 -6.815 -3.275) 7.587 5.721 ( -0.627 -6.815 3.275) 7.587 5.880 ( 0.678 0.420 -2.865) 2.974 5.880 ( -0.678 0.420 2.865) 2.974 5.909 ( 3.570 3.891 -2.737) 5.948 5.909 ( -3.570 3.891 2.737) 5.948 6.019 ( -1.637 -7.657 -1.424) 7.959 6.019 ( 1.637 -7.657 1.424) 7.959 6.325 ( 3.751 0.620 -5.551) 6.728 6.325 ( -3.751 0.620 5.551) 6.728 6.502 ( -1.653 -1.639 -3.391) 4.113 6.502 ( 1.653 -1.639 3.391) 4.113 6.618 ( 5.589 -2.762 -3.705) 7.252 6.618 ( -5.589 -2.762 3.705) 7.252 6.769 ( 0.088 0.188 -3.911) 3.916 6.769 ( -0.088 0.188 3.911) 3.916 6.829 ( -5.356 -2.038 -0.803) 5.786 6.829 ( 5.356 -2.038 0.803) 5.786 6.993 ( 1.234 4.729 -1.152) 5.022 6.993 ( -1.234 4.729 1.152) 5.022 7.066 ( -5.084 0.168 -2.695) 5.757 7.066 ( 5.084 0.168 2.695) 5.757 7.205 ( -0.032 -5.624 -3.254) 6.497 7.205 ( 0.032 -5.624 3.254) 6.497 7.376 ( -0.506 5.873 -1.346) 6.046 7.376 ( 0.506 5.873 1.346) 6.046 7.480 ( 2.100 1.623 -6.008) 6.569 7.480 ( -2.100 1.623 6.008) 6.569 7.518 ( 0.492 1.987 -1.084) 2.316 7.518 ( -0.492 1.987 1.084) 2.316 7.661 ( -0.224 -3.436 -1.844) 3.906 7.661 ( 0.224 -3.436 1.844) 3.906 7.732 ( 0.700 -1.672 -3.647) 4.073 7.732 ( -0.700 -1.672 3.647) 4.073 7.901 ( -0.319 1.364 -4.153) 4.383 7.901 ( 0.319 1.364 4.153) 4.383 8.008 ( 3.427 -0.940 -3.296) 4.847 8.008 ( -3.427 -0.940 3.296) 4.847 8.110 ( -2.153 -2.634 -4.284) 5.470 8.110 ( 2.153 -2.634 4.284) 5.470 8.297 ( 1.847 -1.877 -2.649) 3.735 8.297 ( -1.847 -1.877 2.649) 3.735 8.438 ( 2.651 0.241 -5.566) 6.170 8.438 ( -2.651 0.241 5.566) 6.170 8.512 ( -3.329 2.101 -0.074) 3.937 8.512 ( 3.329 2.101 0.074) 3.937 8.909 ( -0.433 1.355 -3.641) 3.909 8.909 ( 0.433 1.355 3.641) 3.909 9.134 ( -4.124 -3.155 -3.802) 6.435 9.134 ( 4.124 -3.155 3.802) 6.435 9.380 ( -1.769 6.629 -1.858) 7.108 9.380 ( 1.769 6.629 1.858) 7.108 9.633 ( -5.762 -1.998 -3.319) 6.943 9.633 ( 5.762 -1.998 3.319) 6.943 10.304 ( 0.337 3.259 -3.693) 4.937 10.304 ( -0.337 3.259 3.693) 4.937 10.437 ( 1.644 -2.962 -4.838) 5.906 10.437 ( -1.644 -2.962 4.838) 5.906 11.399 ( 3.137 5.208 -11.172) 12.719 11.399 ( -3.137 5.208 11.172) 12.719 11.853 ( 3.761 -4.804 -7.417) 9.604 11.853 ( -3.761 -4.804 7.417) 9.604 12.512 ( 3.563 5.650 -6.538) 9.347 12.512 ( -3.563 5.650 6.538) 9.347 12.953 ( 6.695 -9.936 -7.310) 14.035 12.953 ( -6.695 -9.936 7.310) 14.035 15.280 ( -0.353 2.480 -3.470) 4.280 15.280 ( 0.353 2.480 3.470) 4.280 15.995 ( 0.293 0.169 -1.533) 1.569 15.995 ( -0.293 0.169 1.533) 1.569 16.989 ( 2.011 1.241 -1.996) 3.093 16.989 ( -2.011 1.241 1.996) 3.093 17.139 ( 0.487 -0.954 -2.888) 3.081 17.139 ( -0.487 -0.954 2.888) 3.081 17.405 ( -0.023 0.096 -1.666) 1.669 17.405 ( 0.023 0.096 1.666) 1.669 17.517 ( 1.749 -3.162 -2.436) 4.358 17.517 ( -1.749 -3.162 2.436) 4.358 17.873 ( -0.554 -0.373 -1.145) 1.325 17.873 ( 0.554 -0.373 1.145) 1.325 17.993 ( 1.370 -1.757 -2.570) 3.402 17.993 ( -1.370 -1.757 2.570) 3.402 18.301 ( 1.650 0.391 -2.197) 2.775 18.301 ( -1.650 0.391 2.197) 2.775 18.459 ( 0.947 -3.857 -3.021) 4.990 18.459 ( -0.947 -3.857 3.021) 4.990 20.682 ( -0.062 -0.487 -0.409) 0.639 20.682 ( 0.062 -0.487 0.409) 0.639 20.823 ( 0.288 -1.881 -0.815) 2.070 20.823 ( -0.288 -1.881 0.815) 2.070 21.562 ( 0.130 0.873 -0.688) 1.119 21.562 ( -0.130 0.873 0.688) 1.119 21.594 ( 0.505 0.299 -1.588) 1.693 21.594 ( -0.505 0.299 1.588) 1.693 27.255 ( 0.096 0.149 -0.359) 0.401 27.255 ( -0.096 0.149 0.359) 0.401 27.292 ( -0.161 -0.056 -0.569) 0.594 27.292 ( 0.161 -0.056 0.569) 0.594 27.668 ( 0.175 1.590 -0.589) 1.704 27.668 ( -0.175 1.590 0.589) 1.704 27.727 ( 0.102 -0.003 -0.777) 0.783 27.727 ( -0.102 -0.003 0.777) 0.783 35.157 ( -3.840 1.626 0.277) 4.179 35.157 ( 3.840 1.626 -0.277) 4.179 35.505 ( -1.215 -1.503 -2.550) 3.200 35.505 ( 1.215 -1.503 2.550) 3.200 36.029 ( 1.509 1.155 -2.991) 3.544 36.029 ( -1.509 1.155 2.991) 3.544 36.487 ( 2.688 -2.055 -6.983) 7.760 36.487 ( -2.688 -2.055 6.983) 7.760 39.425 ( 1.487 0.709 -4.134) 4.450 39.425 ( -1.487 0.709 4.134) 4.450 39.611 ( -0.099 -6.758 -6.950) 9.694 39.611 ( 0.099 -6.758 6.950) 9.694 40.691 ( -2.904 10.726 -8.131) 13.769 40.691 ( 2.904 10.726 8.131) 13.769 41.065 ( 2.891 -6.173 -10.151) 12.227 41.065 ( -2.891 -6.173 10.151) 12.227 ======================= Grid point 155 (76/80) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -7.576 4.020 0.782) 8.612 2.300 ( -6.466 7.115 -2.130) 9.847 2.518 ( -3.958 11.920 5.910) 13.880 2.619 ( 9.815 7.596 -9.352) 15.540 2.778 ( 9.391 7.341 -7.160) 13.905 2.890 ( 6.061 10.324 7.645) 14.204 3.065 ( -1.013 0.411 -3.386) 3.558 3.164 ( -3.975 -3.387 6.934) 8.680 3.215 ( -0.919 3.579 -0.381) 3.714 3.391 ( -0.351 6.392 1.970) 6.697 3.453 ( -5.425 -8.185 -4.990) 11.015 3.650 ( 0.367 -5.234 -1.968) 5.604 3.707 ( -7.685 7.320 6.419) 12.403 3.737 ( 3.184 7.778 3.630) 9.155 3.908 ( -0.592 3.450 -2.209) 4.139 4.015 ( -2.754 0.979 -5.395) 6.136 4.090 ( -5.016 -0.452 -4.400) 6.687 4.137 ( -0.608 5.600 -2.561) 6.188 4.207 ( -5.096 3.217 -0.917) 6.095 4.256 ( -3.274 2.104 1.126) 4.052 4.358 ( 2.447 -0.698 -4.047) 4.781 4.402 ( -2.177 -1.742 -1.683) 3.257 4.447 ( -0.907 3.399 -5.012) 6.123 4.580 ( 2.073 2.872 -2.753) 4.486 4.646 ( 0.661 -1.465 3.579) 3.924 4.721 ( 0.310 1.172 1.100) 1.637 4.737 ( 0.967 0.641 3.759) 3.934 4.764 ( 4.390 3.854 1.607) 6.059 4.870 ( 4.730 4.152 2.349) 6.718 4.905 ( -4.117 -2.552 -6.279) 7.930 5.005 ( 8.734 4.736 2.783) 10.318 5.040 ( 6.080 -0.161 -2.251) 6.485 5.218 ( 0.132 -3.680 -0.161) 3.686 5.373 ( 0.330 6.139 3.683) 7.167 5.447 ( 1.513 3.697 -1.342) 4.214 5.520 ( 6.039 3.224 4.319) 8.094 5.553 ( -4.310 -0.883 -3.508) 5.627 5.665 ( -3.922 -1.969 7.248) 8.473 5.722 ( -1.183 -4.620 -3.849) 6.129 5.752 ( -2.803 1.114 1.495) 3.366 5.818 ( -1.876 -1.151 6.457) 6.822 5.860 ( -4.337 -2.692 2.888) 5.865 5.920 ( 4.317 -1.419 -3.997) 6.052 5.979 ( 4.869 4.026 1.222) 6.436 6.026 ( 4.861 0.780 3.022) 5.777 6.102 ( 3.961 -8.168 -3.096) 9.592 6.258 ( -3.266 1.431 3.538) 5.023 6.345 ( 2.823 -2.307 -3.822) 5.282 6.456 ( -0.868 -0.932 -3.425) 3.654 6.517 ( -7.003 -2.864 5.208) 9.185 6.606 ( -1.081 0.185 1.096) 1.551 6.632 ( -0.536 -4.649 -3.102) 5.615 6.682 ( -3.751 -2.182 -3.383) 5.502 6.742 ( -0.204 0.258 -2.452) 2.474 6.815 ( 0.080 -3.626 6.139) 7.130 6.878 ( 4.159 5.594 -2.976) 7.579 6.969 ( -2.218 4.933 1.426) 5.594 7.003 ( 1.056 -0.181 1.360) 1.732 7.061 ( 2.590 -1.038 0.098) 2.792 7.171 ( 1.143 -5.508 -4.415) 7.151 7.213 ( 5.456 2.809 0.422) 6.151 7.220 ( -0.834 0.294 1.652) 1.874 7.340 ( -1.815 3.691 -3.065) 5.130 7.354 ( 0.157 3.209 -0.234) 3.222 7.399 ( -2.892 3.792 -0.127) 4.771 7.450 ( -3.068 1.920 -3.666) 5.151 7.502 ( -2.417 -2.121 4.474) 5.510 7.546 ( -1.584 1.072 2.747) 3.348 7.626 ( -1.564 -1.409 -0.337) 2.132 7.701 ( 0.001 -4.395 0.888) 4.484 7.725 ( 3.746 1.249 -0.313) 3.961 7.759 ( -3.201 -1.631 -3.297) 4.876 7.806 ( 0.239 -2.101 -0.919) 2.306 7.922 ( 0.371 -3.653 -2.115) 4.237 7.988 ( -0.816 -2.731 -4.326) 5.181 8.033 ( 0.421 1.024 2.262) 2.519 8.072 ( 0.528 -1.039 -3.897) 4.067 8.203 ( 4.702 -2.669 -1.630) 5.647 8.240 ( -3.059 2.689 -2.833) 4.961 8.320 ( 1.164 -0.500 -1.334) 1.839 8.449 ( 0.642 0.310 6.508) 6.547 8.503 ( 5.485 0.570 -0.929) 5.592 8.541 ( 2.602 2.877 5.001) 6.329 8.633 ( 7.318 -3.883 1.927) 8.506 8.810 ( -4.659 4.238 -2.580) 6.806 8.895 ( -3.082 -3.015 0.906) 4.406 9.069 ( -1.826 2.369 1.471) 3.333 9.224 ( -0.982 -1.444 4.693) 5.007 9.310 ( -2.588 2.473 -1.973) 4.087 9.432 ( 1.028 2.608 -5.044) 5.770 9.472 ( -3.646 3.984 -0.638) 5.438 9.723 ( 1.543 -2.420 0.158) 2.874 10.279 ( 0.700 3.872 -2.941) 4.913 10.342 ( 0.029 1.789 4.883) 5.201 10.365 ( -3.762 -0.827 1.155) 4.021 10.493 ( 1.946 -4.143 -1.458) 4.804 11.357 ( 3.496 5.708 -8.335) 10.690 11.444 ( -4.094 3.671 9.794) 11.232 11.835 ( -0.653 -4.154 0.795) 4.279 11.878 ( 0.629 -5.497 0.301) 5.541 12.498 ( -1.015 5.531 1.216) 5.754 12.525 ( 1.019 5.288 -1.523) 5.597 12.917 ( -4.806 -8.532 9.118) 13.380 13.010 ( 4.899 -11.492 -5.732) 13.745 15.229 ( -0.710 4.583 -2.690) 5.361 15.299 ( -1.312 1.292 1.475) 2.359 16.004 ( 1.473 0.692 -0.076) 1.629 16.019 ( 0.319 -0.235 2.715) 2.744 16.970 ( -1.676 2.127 2.978) 4.026 17.026 ( 1.971 -0.330 0.292) 2.019 17.106 ( -0.485 0.530 -3.574) 3.645 17.157 ( 0.066 -1.822 0.682) 1.946 17.350 ( -2.024 0.160 -1.084) 2.302 17.397 ( -0.907 -1.743 -1.191) 2.298 17.528 ( -0.190 -1.623 2.758) 3.206 17.568 ( 2.790 -3.389 -0.118) 4.391 17.862 ( 0.755 -0.417 -0.688) 1.104 17.901 ( 0.939 -0.796 1.037) 1.610 17.981 ( -1.389 -0.657 1.130) 1.907 17.992 ( -0.404 -1.896 -0.456) 1.992 18.262 ( -2.274 1.167 1.001) 2.745 18.316 ( 0.942 -0.405 -2.316) 2.533 18.446 ( 1.051 -3.340 -2.350) 4.217 18.471 ( -0.728 -4.451 1.524) 4.761 20.682 ( 0.347 -0.231 -0.062) 0.421 20.691 ( 0.263 -0.826 0.653) 1.085 20.808 ( -0.642 -1.449 -0.982) 1.864 20.816 ( -0.703 -1.561 -0.477) 1.777 21.557 ( 0.256 0.889 -0.834) 1.246 21.565 ( 0.109 0.741 -0.055) 0.751 21.583 ( -0.202 0.514 -0.946) 1.095 21.591 ( -1.397 0.342 1.572) 2.131 27.250 ( -0.252 0.507 0.277) 0.630 27.260 ( 0.044 0.112 -0.008) 0.120 27.282 ( -0.029 0.103 -0.179) 0.209 27.302 ( 0.156 -0.637 0.112) 0.666 27.663 ( -0.160 1.535 0.080) 1.546 27.672 ( -0.164 1.357 0.475) 1.447 27.719 ( 0.108 0.234 -0.971) 1.005 27.729 ( -0.357 0.032 0.407) 0.542 35.138 ( 1.601 3.011 0.921) 3.532 35.278 ( 7.437 -2.630 -0.036) 7.888 35.444 ( -1.746 2.251 -1.170) 3.080 35.582 ( 3.201 -2.970 0.640) 4.413 35.996 ( -1.947 1.881 -0.282) 2.722 36.030 ( 0.010 0.833 -0.973) 1.281 36.438 ( -1.125 -1.041 -2.634) 3.047 36.503 ( -1.603 -3.641 1.613) 4.293 39.430 ( 2.572 -0.034 -1.830) 3.157 39.449 ( -0.838 0.664 4.694) 4.814 39.548 ( 0.141 -4.086 -5.051) 6.499 39.660 ( -2.818 -8.032 6.128) 10.488 40.578 ( -0.075 12.494 -4.816) 13.390 40.836 ( 1.936 7.931 3.526) 8.892 40.960 ( -2.003 -6.098 -1.908) 6.696 41.133 ( 0.762 -6.568 1.599) 6.803 ======================= Grid point 156 (77/80) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -3.442 8.504 -0.384) 9.182 2.169 ( -3.632 8.210 -2.629) 9.354 2.556 ( -0.392 12.285 9.813) 15.728 2.646 ( 3.077 8.997 -11.056) 14.583 2.900 ( 8.142 6.323 -3.520) 10.893 2.991 ( -0.074 -0.220 -2.219) 2.231 3.058 ( -1.214 9.585 7.739) 12.379 3.167 ( -4.543 0.442 -0.399) 4.582 3.200 ( 1.357 -3.179 2.574) 4.310 3.268 ( -3.027 -3.651 -1.936) 5.123 3.481 ( 5.567 -0.678 2.333) 6.074 3.622 ( -3.039 -3.765 -3.134) 5.765 3.698 ( 0.698 8.594 4.843) 9.889 3.794 ( -5.695 7.973 -3.395) 10.370 3.840 ( 1.861 0.312 0.237) 1.902 3.943 ( -5.575 0.145 -2.940) 6.304 3.970 ( 4.248 8.823 3.354) 10.351 4.102 ( -1.718 11.680 -1.022) 11.849 4.189 ( -0.913 -4.987 -0.890) 5.147 4.202 ( -2.780 -1.988 0.538) 3.460 4.301 ( -1.014 -1.679 -4.002) 4.457 4.331 ( -2.505 0.487 -4.109) 4.837 4.425 ( 5.296 -5.486 -0.803) 7.667 4.566 ( -2.969 -4.182 -2.294) 5.619 4.606 ( -2.050 2.229 -0.311) 3.045 4.675 ( -6.202 2.709 0.644) 6.798 4.761 ( 2.501 0.693 1.636) 3.067 4.785 ( 0.577 1.458 0.334) 1.603 4.972 ( 7.308 2.108 -0.804) 7.648 5.019 ( 3.557 4.847 1.224) 6.136 5.106 ( 7.274 2.533 -3.324) 8.389 5.190 ( -1.095 2.673 2.624) 3.902 5.301 ( 3.600 -1.570 3.460) 5.234 5.356 ( -3.545 5.263 1.755) 6.584 5.453 ( 2.580 4.018 2.487) 5.384 5.473 ( 2.557 -1.235 -0.773) 2.943 5.587 ( -5.553 0.874 -3.313) 6.525 5.613 ( -7.341 -1.371 -2.001) 7.731 5.682 ( 4.734 -1.927 1.086) 5.225 5.724 ( -2.790 0.689 3.450) 4.490 5.776 ( 2.079 -0.033 -1.105) 2.355 5.866 ( -2.484 1.943 0.521) 3.197 5.982 ( 3.147 -4.707 2.351) 6.131 6.048 ( -0.928 -3.016 -1.728) 3.598 6.115 ( 3.488 -0.089 1.243) 3.704 6.169 ( 3.358 -0.013 1.420) 3.646 6.281 ( -0.752 -2.155 2.142) 3.130 6.301 ( -3.404 -1.799 -1.067) 3.995 6.434 ( 3.389 -1.042 -4.150) 5.459 6.459 ( -4.997 -1.666 5.755) 7.801 6.585 ( -1.478 -1.082 0.271) 1.851 6.599 ( -0.484 1.203 -1.610) 2.068 6.612 ( 2.297 -0.018 1.035) 2.519 6.712 ( -0.757 -1.388 -4.490) 4.761 6.874 ( -0.560 4.867 0.652) 4.943 6.895 ( -2.205 4.699 -2.147) 5.617 7.006 ( 6.389 -1.371 2.663) 7.057 7.033 ( 1.074 1.298 0.981) 1.949 7.101 ( 1.132 -4.331 2.681) 5.217 7.161 ( 1.867 -4.053 -3.093) 5.429 7.203 ( -0.203 1.097 -1.334) 1.739 7.254 ( -4.963 -2.166 2.615) 6.013 7.292 ( 1.317 2.550 -5.885) 6.548 7.339 ( -4.141 -0.181 1.599) 4.443 7.370 ( 1.266 8.078 0.200) 8.179 7.392 ( 1.274 6.263 -2.621) 6.908 7.511 ( 1.149 -2.815 -1.420) 3.356 7.537 ( -3.553 0.374 4.693) 5.897 7.632 ( 1.847 -0.164 2.629) 3.218 7.664 ( -0.268 -4.203 -1.587) 4.501 7.728 ( -0.437 -2.209 6.609) 6.982 7.789 ( 1.683 0.235 -0.802) 1.879 7.850 ( -0.973 -1.895 -4.127) 4.645 7.867 ( 1.669 -2.701 -2.529) 4.059 7.918 ( -2.359 1.911 -3.962) 4.992 7.982 ( -1.471 -2.358 -1.889) 3.361 8.046 ( 1.266 -2.623 -0.305) 2.929 8.170 ( -7.519 -2.635 -1.518) 8.111 8.246 ( 0.531 -4.575 0.421) 4.625 8.266 ( -0.209 -5.146 0.018) 5.151 8.564 ( 2.679 1.307 1.700) 3.431 8.587 ( 3.322 -0.365 -1.125) 3.527 8.681 ( 7.682 8.571 -0.743) 11.534 8.713 ( 1.707 2.748 0.288) 3.247 8.782 ( 2.704 0.766 1.211) 3.060 8.924 ( -2.953 0.999 4.999) 5.891 9.019 ( -0.023 3.271 1.029) 3.429 9.160 ( -7.419 0.937 0.704) 7.511 9.271 ( -1.419 0.163 0.606) 1.551 9.294 ( -1.888 -1.224 -5.239) 5.702 9.571 ( 6.348 2.711 1.884) 7.155 9.692 ( -3.564 -0.995 -1.915) 4.167 10.280 ( 2.245 2.883 -2.232) 4.282 10.314 ( -3.134 0.869 1.554) 3.604 10.405 ( 1.041 -0.172 5.429) 5.531 10.475 ( -0.865 -2.709 -3.718) 4.681 11.372 ( 6.271 5.147 -7.475) 11.032 11.427 ( -6.938 3.943 8.258) 11.484 11.846 ( 0.919 -4.849 0.863) 5.010 11.874 ( -0.964 -5.628 -0.307) 5.718 12.502 ( -0.016 5.056 1.377) 5.241 12.518 ( 0.015 4.840 -1.557) 5.084 12.951 ( -1.916 -9.220 9.566) 13.423 13.007 ( 1.894 -11.160 -7.549) 13.606 15.221 ( 1.798 4.637 -0.831) 5.042 15.265 ( -2.751 2.537 0.238) 3.750 16.036 ( 1.603 0.584 -0.345) 1.740 16.045 ( -0.458 0.007 2.016) 2.067 16.989 ( 0.179 2.164 3.676) 4.269 17.041 ( -1.297 0.887 -2.679) 3.106 17.083 ( 2.203 -0.652 0.392) 2.331 17.138 ( -1.839 -2.109 -1.269) 3.073 17.336 ( 1.284 -0.868 -0.518) 1.634 17.367 ( -1.532 -2.155 -0.388) 2.672 17.553 ( 0.314 -1.010 2.504) 2.718 17.585 ( -0.275 -2.437 -1.498) 2.874 17.891 ( 2.644 -1.434 -0.530) 3.055 17.922 ( -0.358 -1.919 0.857) 2.132 17.965 ( -1.590 0.336 1.879) 2.485 17.973 ( -0.254 -0.215 -1.431) 1.469 18.254 ( -0.294 0.425 2.615) 2.665 18.291 ( -0.372 -0.807 -3.439) 3.552 18.450 ( 1.746 -3.167 -2.342) 4.309 18.463 ( -1.678 -3.905 1.834) 4.629 20.693 ( 0.673 -0.455 0.105) 0.819 20.700 ( -0.107 -0.970 0.510) 1.101 20.788 ( -0.287 -0.694 -0.600) 0.961 20.794 ( -0.740 -0.832 -0.575) 1.253 21.558 ( 0.751 0.837 -0.746) 1.349 21.567 ( 0.091 0.776 -0.046) 0.782 21.570 ( -0.256 0.528 -0.537) 0.795 21.577 ( -1.348 0.579 1.142) 1.859 27.251 ( -0.065 0.693 0.452) 0.830 27.256 ( -0.161 0.609 -0.328) 0.710 27.289 ( 0.648 -0.589 -0.025) 0.876 27.300 ( -0.445 -0.841 0.044) 0.952 27.664 ( 0.221 1.280 -0.003) 1.299 27.670 ( -0.484 1.116 0.381) 1.275 27.716 ( 0.604 0.453 -0.850) 1.137 27.723 ( -0.689 0.267 0.459) 0.870 35.218 ( 5.011 2.046 1.104) 5.524 35.319 ( -3.529 -1.571 -0.821) 3.950 35.491 ( 7.161 0.647 -0.037) 7.190 35.598 ( -2.711 -3.157 0.024) 4.161 35.980 ( 0.891 3.057 0.360) 3.204 36.014 ( -1.076 1.955 -0.788) 2.367 36.414 ( 1.663 -2.490 -1.999) 3.600 36.460 ( -3.804 -4.137 1.024) 5.713 39.471 ( 1.172 -1.208 1.589) 2.315 39.498 ( 0.681 0.680 2.110) 2.319 39.517 ( 3.274 -3.450 -3.884) 6.140 39.611 ( -6.193 -4.935 2.219) 8.224 40.608 ( 5.620 8.750 -0.534) 10.413 40.745 ( -7.130 4.301 -1.876) 8.535 41.037 ( 4.850 -3.372 2.238) 6.317 41.122 ( -2.491 -5.594 -0.407) 6.137 ======================= Grid point 159 (78/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.684 ( -0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.849 ( -0.000 -0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.171 ( -0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.491 ( -0.000 0.000 -0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.834 ( -0.000 0.000 0.000) 0.000 3.834 ( -0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 -0.000) 0.000 3.951 ( -0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 -0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 -0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.432 ( -0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.635 ( -0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 -0.000 -0.000) 0.000 4.746 ( -0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 -0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 5.161 ( -0.000 0.000 -0.000) 0.000 5.161 ( -0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 -0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 -0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.597 ( -0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 -0.000) 0.000 5.670 ( -0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 -0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.920 ( -0.000 0.000 -0.000) 0.000 5.920 ( -0.000 -0.000 0.000) 0.000 5.994 ( 0.000 0.000 -0.000) 0.000 5.994 ( -0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 -0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.519 ( -0.000 0.000 -0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.525 ( -0.000 -0.000 -0.000) 0.000 6.525 ( 0.000 -0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.814 ( -0.000 0.000 -0.000) 0.000 6.814 ( -0.000 0.000 0.000) 0.000 7.058 ( -0.000 0.000 -0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.091 ( -0.000 0.000 -0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.122 ( -0.000 0.000 -0.000) 0.000 7.122 ( -0.000 0.000 0.000) 0.000 7.466 ( 0.000 -0.000 -0.000) 0.000 7.466 ( -0.000 -0.000 0.000) 0.000 7.471 ( 0.000 0.000 -0.000) 0.000 7.471 ( -0.000 0.000 0.000) 0.000 7.531 ( -0.000 -0.000 -0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 -0.000 -0.000) 0.000 7.663 ( 0.000 0.000 -0.000) 0.000 7.667 ( -0.000 -0.000 0.000) 0.000 7.667 ( -0.000 0.000 0.000) 0.000 7.925 ( -0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.024 ( -0.000 0.000 -0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.051 ( -0.000 0.000 -0.000) 0.000 8.051 ( 0.000 -0.000 0.000) 0.000 8.284 ( 0.000 0.000 -0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.420 ( -0.000 0.000 -0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.548 ( -0.000 0.000 0.000) 0.000 8.949 ( -0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.076 ( -0.000 0.000 -0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.488 ( -0.000 0.000 -0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.581 ( -0.000 0.000 -0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 -0.000) 0.000 10.363 ( -0.000 0.000 0.000) 0.000 10.376 ( 0.000 -0.000 -0.000) 0.000 10.376 ( -0.000 0.000 0.000) 0.000 11.457 ( 0.000 0.000 -0.000) 0.000 11.457 ( 0.000 0.000 0.000) 0.000 11.798 ( -0.000 0.000 0.000) 0.000 11.798 ( -0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 -0.000) 0.000 12.599 ( -0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 17.009 ( -0.000 0.000 0.000) 0.000 17.009 ( -0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.483 ( -0.000 0.000 -0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.863 ( -0.000 0.000 0.000) 0.000 17.863 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 -0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 18.309 ( 0.000 0.000 0.000) 0.000 18.309 ( 0.000 0.000 0.000) 0.000 18.416 ( -0.000 0.000 0.000) 0.000 18.416 ( 0.000 0.000 0.000) 0.000 20.678 ( -0.000 0.000 0.000) 0.000 20.678 ( 0.000 0.000 0.000) 0.000 20.802 ( 0.000 0.000 0.000) 0.000 20.802 ( 0.000 0.000 0.000) 0.000 21.572 ( 0.000 0.000 -0.000) 0.000 21.572 ( 0.000 0.000 0.000) 0.000 21.595 ( 0.000 0.000 0.000) 0.000 21.595 ( -0.000 0.000 0.000) 0.000 27.257 ( 0.000 0.000 -0.000) 0.000 27.257 ( 0.000 0.000 0.000) 0.000 27.291 ( -0.000 0.000 -0.000) 0.000 27.291 ( -0.000 0.000 0.000) 0.000 27.688 ( -0.000 0.000 0.000) 0.000 27.688 ( -0.000 0.000 0.000) 0.000 27.724 ( 0.000 0.000 0.000) 0.000 27.724 ( 0.000 0.000 0.000) 0.000 35.175 ( -0.000 0.000 0.000) 0.000 35.175 ( 0.000 0.000 0.000) 0.000 35.489 ( 0.000 0.000 0.000) 0.000 35.489 ( 0.000 0.000 0.000) 0.000 36.043 ( 0.000 0.000 0.000) 0.000 36.043 ( -0.000 0.000 0.000) 0.000 36.463 ( 0.000 0.000 0.000) 0.000 36.463 ( -0.000 0.000 0.000) 0.000 39.447 ( 0.000 0.000 -0.000) 0.000 39.447 ( 0.000 0.000 0.000) 0.000 39.527 ( -0.000 0.000 0.000) 0.000 39.527 ( 0.000 0.000 0.000) 0.000 40.851 ( 0.000 0.000 -0.000) 0.000 40.851 ( 0.000 0.000 0.000) 0.000 40.952 ( -0.000 0.000 0.000) 0.000 40.952 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.337 ( -5.665 -1.796 2.933) 6.628 2.337 ( -5.665 1.796 2.933) 6.628 2.690 ( -0.001 -5.500 2.219) 5.931 2.690 ( -0.001 5.500 2.219) 5.931 2.916 ( 6.664 -7.858 -2.572) 10.619 2.916 ( 6.664 7.858 -2.572) 10.619 3.127 ( -1.038 -2.618 -5.863) 6.504 3.127 ( -1.038 2.618 -5.863) 6.504 3.292 ( 1.057 -3.494 -2.041) 4.182 3.292 ( 1.057 3.494 -2.041) 4.182 3.496 ( -1.988 -8.453 2.483) 9.031 3.496 ( -1.988 8.453 2.483) 9.031 3.814 ( -4.327 -4.350 5.401) 8.174 3.814 ( -4.327 4.350 5.401) 8.174 3.980 ( 3.541 -5.255 -0.971) 6.411 3.980 ( 3.541 5.255 -0.971) 6.411 4.119 ( -3.086 -3.419 -7.788) 9.048 4.119 ( -3.086 3.419 -7.788) 9.048 4.282 ( -7.606 -0.551 1.264) 7.730 4.282 ( -7.606 0.551 1.264) 7.730 4.337 ( -2.878 -2.701 -1.824) 4.348 4.337 ( -2.878 2.701 -1.824) 4.348 4.571 ( -0.257 -4.361 -2.317) 4.945 4.571 ( -0.257 4.361 -2.317) 4.945 4.675 ( 0.190 -3.718 2.867) 4.698 4.675 ( 0.190 3.718 2.867) 4.698 4.794 ( 2.126 -4.945 0.160) 5.385 4.794 ( 2.126 4.945 0.160) 5.385 4.911 ( 3.078 -2.064 2.086) 4.253 4.911 ( 3.078 2.064 2.086) 4.253 5.045 ( 3.446 -1.185 -2.378) 4.351 5.045 ( 3.446 1.185 -2.378) 4.351 5.309 ( 2.045 -14.420 -1.525) 14.644 5.309 ( 2.045 14.420 -1.525) 14.644 5.529 ( 7.131 -1.818 -0.240) 7.363 5.529 ( 7.131 1.818 -0.240) 7.363 5.553 ( -3.976 -8.001 2.876) 9.386 5.553 ( -3.976 8.001 2.876) 9.386 5.731 ( 3.640 -5.129 1.906) 6.571 5.731 ( 3.640 5.129 1.906) 6.571 5.803 ( -6.375 -1.775 2.828) 7.197 5.803 ( -6.375 1.775 2.828) 7.197 5.971 ( 2.431 -4.014 -3.518) 5.865 5.971 ( 2.431 4.014 -3.518) 5.865 6.051 ( 5.196 -0.761 2.061) 5.641 6.051 ( 5.196 0.761 2.061) 5.641 6.347 ( -2.446 -7.631 -0.795) 8.053 6.347 ( -2.446 7.631 -0.795) 8.053 6.412 ( -2.947 -6.927 1.978) 7.784 6.412 ( -2.947 6.927 1.978) 7.784 6.584 ( 1.661 -1.364 -0.736) 2.272 6.584 ( 1.661 1.364 -0.736) 2.272 6.675 ( -3.909 -1.537 -2.154) 4.721 6.675 ( -3.909 1.537 -2.154) 4.721 6.893 ( 2.640 -5.898 0.851) 6.517 6.893 ( 2.640 5.898 0.851) 6.517 7.029 ( 2.956 -6.841 -2.667) 7.915 7.029 ( 2.956 6.841 -2.667) 7.915 7.063 ( -1.259 -2.080 2.517) 3.499 7.063 ( -1.259 2.080 2.517) 3.499 7.224 ( 2.235 -0.673 2.333) 3.300 7.224 ( 2.235 0.673 2.333) 3.300 7.392 ( -3.079 -1.082 -1.297) 3.512 7.392 ( -3.079 1.082 -1.297) 3.512 7.471 ( -2.434 -2.683 0.202) 3.628 7.471 ( -2.434 2.683 0.202) 3.628 7.517 ( 0.683 -4.881 -1.764) 5.235 7.517 ( 0.683 4.881 -1.764) 5.235 7.633 ( -0.041 -3.244 -1.275) 3.486 7.633 ( -0.041 3.244 -1.275) 3.486 7.711 ( 0.354 -1.063 0.510) 1.231 7.711 ( 0.354 1.063 0.510) 1.231 7.845 ( -4.035 -3.557 -0.088) 5.380 7.845 ( -4.035 3.557 -0.088) 5.380 7.989 ( -0.871 -3.515 -3.145) 4.797 7.989 ( -0.871 3.515 -3.145) 4.797 8.121 ( 3.656 -3.962 0.448) 5.410 8.121 ( 3.656 3.962 0.448) 5.410 8.293 ( -2.961 -1.967 -3.128) 4.735 8.293 ( -2.961 1.967 -3.128) 4.735 8.500 ( 5.205 -2.572 4.132) 7.126 8.500 ( 5.205 2.572 4.132) 7.126 8.572 ( 5.234 -1.469 2.039) 5.806 8.572 ( 5.234 1.469 2.039) 5.806 8.860 ( -3.978 -1.214 -2.957) 5.103 8.860 ( -3.978 1.214 -2.957) 5.103 9.141 ( 1.331 -4.687 4.472) 6.613 9.141 ( 1.331 4.687 4.472) 6.613 9.395 ( -5.379 -4.007 -4.416) 8.031 9.395 ( -5.379 4.007 -4.416) 8.031 9.622 ( 1.693 -7.316 0.873) 7.560 9.622 ( 1.693 7.316 0.873) 7.560 10.341 ( -0.965 -1.841 -0.604) 2.164 10.341 ( -0.965 1.841 -0.604) 2.164 10.399 ( 0.740 -4.224 1.164) 4.443 10.399 ( 0.740 4.224 1.164) 4.443 11.451 ( 0.040 -2.899 -0.767) 2.999 11.451 ( 0.040 2.899 -0.767) 2.999 11.803 ( -0.876 -1.416 2.134) 2.706 11.803 ( -0.876 1.416 2.134) 2.706 12.593 ( -0.978 -1.658 1.029) 2.183 12.593 ( -0.978 1.658 1.029) 2.183 12.834 ( 0.867 -3.397 0.255) 3.516 12.834 ( 0.867 3.397 0.255) 3.516 15.296 ( -0.740 -1.782 -0.407) 1.972 15.296 ( -0.740 1.782 -0.407) 1.972 16.012 ( 1.016 -0.322 1.175) 1.587 16.012 ( 1.016 0.322 1.175) 1.587 17.011 ( -0.808 -1.556 2.397) 2.970 17.011 ( -0.808 1.556 2.397) 2.970 17.123 ( 0.661 -1.343 -2.201) 2.662 17.123 ( 0.661 1.343 -2.201) 2.662 17.363 ( -1.865 -1.270 -1.392) 2.651 17.363 ( -1.865 1.270 -1.392) 2.651 17.521 ( 1.555 -1.084 1.496) 2.415 17.521 ( 1.555 1.084 1.496) 2.415 17.868 ( 0.620 -1.347 -0.003) 1.483 17.868 ( 0.620 1.347 -0.003) 1.483 17.978 ( -0.400 -0.185 0.517) 0.680 17.978 ( -0.400 0.185 0.517) 0.680 18.298 ( -0.645 -1.700 -0.850) 2.007 18.298 ( -0.645 1.700 -0.850) 2.007 18.416 ( 0.132 -0.565 -0.265) 0.638 18.416 ( 0.132 0.565 -0.265) 0.638 20.682 ( 0.250 -0.192 0.207) 0.377 20.682 ( 0.250 0.192 0.207) 0.377 20.796 ( -0.397 -0.256 -0.489) 0.680 20.796 ( -0.397 0.256 -0.489) 0.680 21.570 ( 0.272 -0.307 -0.814) 0.912 21.570 ( 0.272 0.307 -0.814) 0.912 21.591 ( -0.798 -0.307 0.652) 1.075 21.591 ( -0.798 0.307 0.652) 1.075 27.259 ( 0.174 -0.297 0.014) 0.344 27.259 ( 0.174 0.297 0.014) 0.344 27.289 ( -0.272 -0.589 0.090) 0.655 27.289 ( -0.272 0.589 0.090) 0.655 27.685 ( -0.365 -0.338 0.230) 0.548 27.685 ( -0.365 0.338 0.230) 0.548 27.723 ( 0.076 -0.394 -0.245) 0.470 27.723 ( 0.076 0.394 -0.245) 0.470 35.208 ( 2.943 -3.745 0.373) 4.778 35.208 ( 2.943 3.745 0.373) 4.778 35.512 ( 1.918 -3.766 -0.147) 4.229 35.512 ( 1.918 3.766 -0.147) 4.229 36.029 ( -0.563 -1.059 -0.753) 1.416 36.029 ( -0.563 1.059 -0.753) 1.416 36.444 ( -1.794 -1.777 -0.370) 2.552 36.444 ( -1.794 1.777 -0.370) 2.552 39.446 ( 1.066 -1.440 -1.227) 2.172 39.446 ( 1.066 1.440 -1.227) 2.172 39.539 ( -1.128 -3.700 3.211) 5.027 39.539 ( -1.128 3.700 3.211) 5.027 40.802 ( -0.675 -9.540 -5.134) 10.855 40.802 ( -0.675 9.540 -5.134) 10.855 40.991 ( 0.378 -7.394 4.131) 8.478 40.991 ( 0.378 7.394 4.131) 8.478 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.259 ( -3.323 -0.916 0.793) 3.537 2.259 ( -3.323 0.916 0.793) 3.537 2.738 ( 1.264 -5.314 3.579) 6.530 2.738 ( 1.264 5.314 3.579) 6.531 2.946 ( 0.217 -8.785 -5.004) 10.112 2.946 ( 0.217 8.785 -5.004) 10.112 3.088 ( 0.376 -4.104 0.095) 4.122 3.088 ( 0.376 4.104 0.095) 4.122 3.339 ( 7.824 -10.593 -5.333) 14.208 3.339 ( 7.824 10.593 -5.333) 14.208 3.443 ( -7.003 -13.055 4.628) 15.521 3.443 ( -7.003 13.055 4.628) 15.521 3.808 ( 0.985 -3.664 0.800) 3.877 3.808 ( 0.985 3.664 0.800) 3.877 3.921 ( -6.356 -3.951 -2.092) 7.770 3.921 ( -6.356 3.951 -2.092) 7.770 4.123 ( 4.076 -5.792 2.184) 7.411 4.123 ( 4.076 5.792 2.184) 7.411 4.172 ( -1.593 -1.155 -1.157) 2.283 4.172 ( -1.593 1.155 -1.157) 2.283 4.305 ( 0.553 -3.958 -0.235) 4.003 4.305 ( 0.553 3.958 -0.235) 4.003 4.465 ( -7.045 -6.391 -3.333) 10.079 4.465 ( -7.045 6.391 -3.333) 10.079 4.682 ( -0.011 -3.491 0.924) 3.611 4.682 ( -0.011 3.491 0.924) 3.611 4.784 ( -0.153 -2.003 -0.454) 2.059 4.784 ( -0.153 2.003 -0.454) 2.059 5.006 ( 3.073 -2.464 0.432) 3.962 5.006 ( 3.073 2.464 0.432) 3.962 5.220 ( 8.556 -5.340 2.863) 10.484 5.220 ( 8.556 5.340 2.863) 10.484 5.320 ( 0.678 -8.874 -0.288) 8.904 5.320 ( 0.678 8.874 -0.288) 8.904 5.508 ( -1.366 -2.223 2.282) 3.466 5.508 ( -1.366 2.223 2.282) 3.466 5.585 ( -0.785 -1.189 -6.429) 6.585 5.585 ( -0.785 1.189 -6.429) 6.585 5.661 ( -4.561 -2.794 1.533) 5.564 5.661 ( -4.561 2.794 1.533) 5.564 5.862 ( 3.781 -5.755 3.737) 7.834 5.862 ( 3.781 5.755 3.737) 7.834 5.948 ( -1.205 -5.152 -3.265) 6.217 5.948 ( -1.205 5.152 -3.265) 6.217 6.170 ( 4.550 -3.115 1.146) 5.632 6.170 ( 4.550 3.115 1.146) 5.632 6.262 ( -5.392 -1.292 1.318) 5.699 6.262 ( -5.392 1.292 1.318) 5.699 6.413 ( 0.522 -1.414 0.406) 1.561 6.413 ( 0.522 1.414 0.406) 1.561 6.578 ( -2.140 -0.683 -1.766) 2.857 6.578 ( -2.140 0.683 -1.766) 2.857 6.682 ( 5.810 -4.071 1.126) 7.183 6.682 ( 5.810 4.071 1.126) 7.183 6.950 ( 1.258 -3.043 1.279) 3.532 6.950 ( 1.258 3.043 1.279) 3.532 7.027 ( -2.453 -3.149 1.912) 4.426 7.027 ( -2.453 3.149 1.912) 4.426 7.067 ( 1.316 -4.837 -3.203) 5.949 7.067 ( 1.316 4.837 -3.203) 5.949 7.221 ( -1.790 -0.902 0.273) 2.023 7.221 ( -1.790 0.902 0.273) 2.023 7.355 ( 0.182 -1.092 -1.222) 1.649 7.355 ( 0.182 1.092 -1.222) 1.649 7.415 ( -2.480 -1.015 -1.125) 2.906 7.415 ( -2.480 1.015 -1.125) 2.906 7.551 ( 2.485 -6.144 1.224) 6.739 7.551 ( 2.485 6.144 1.224) 6.739 7.613 ( -2.786 -3.390 -0.865) 4.472 7.613 ( -2.786 3.390 -0.865) 4.472 7.759 ( 6.317 -5.059 4.083) 9.064 7.759 ( 6.317 5.059 4.083) 9.064 7.808 ( -0.063 -1.551 -1.287) 2.017 7.808 ( -0.063 1.551 -1.287) 2.017 7.937 ( -2.738 -3.448 -1.922) 4.804 7.937 ( -2.738 3.448 -1.922) 4.804 8.103 ( -8.476 -5.040 -2.702) 10.225 8.103 ( -8.476 5.040 -2.702) 10.225 8.187 ( 1.800 -0.448 -0.494) 1.919 8.187 ( 1.800 0.448 -0.494) 1.919 8.580 ( 2.155 -0.521 -0.671) 2.316 8.580 ( 2.155 0.521 -0.671) 2.316 8.763 ( 2.093 -1.948 0.833) 2.978 8.763 ( 2.093 1.948 0.833) 2.978 8.850 ( 9.041 -6.567 3.359) 11.668 8.850 ( 9.041 6.567 3.359) 11.668 9.133 ( -8.027 -4.462 0.745) 9.214 9.133 ( -8.027 4.462 0.745) 9.214 9.268 ( -0.982 -0.802 -2.287) 2.615 9.268 ( -0.982 0.802 -2.287) 2.615 9.644 ( 0.424 -3.620 -0.180) 3.650 9.644 ( 0.424 3.620 -0.180) 3.650 10.323 ( -0.405 -0.707 -0.240) 0.849 10.323 ( -0.405 0.707 -0.240) 0.849 10.417 ( 0.218 -2.049 0.586) 2.142 10.417 ( 0.218 2.049 0.586) 2.142 11.449 ( 0.269 -1.846 -0.296) 1.889 11.449 ( 0.269 1.846 -0.296) 1.889 11.801 ( -0.864 -0.957 1.117) 1.706 11.801 ( -0.864 0.957 1.117) 1.706 12.587 ( -0.413 -0.940 0.528) 1.154 12.587 ( -0.413 0.940 0.528) 1.154 12.848 ( 0.273 -1.969 0.196) 1.998 12.848 ( 0.273 1.969 0.196) 1.998 15.281 ( -0.336 -1.115 -0.183) 1.179 15.281 ( -0.336 1.115 -0.183) 1.179 16.041 ( 0.631 -0.196 0.732) 0.986 16.041 ( 0.631 0.196 0.732) 0.986 17.030 ( -0.176 -1.643 2.801) 3.252 17.030 ( -0.176 1.643 2.801) 3.252 17.098 ( -0.210 -1.708 -2.814) 3.299 17.098 ( -0.210 1.708 -2.814) 3.299 17.333 ( -0.353 -0.836 -0.436) 1.006 17.333 ( -0.353 0.836 -0.436) 1.006 17.548 ( 0.283 -0.827 0.579) 1.048 17.548 ( 0.283 0.827 0.579) 1.048 17.884 ( 0.795 -0.968 0.017) 1.253 17.884 ( 0.795 0.968 0.017) 1.253 17.974 ( -0.476 -0.182 0.376) 0.634 17.974 ( -0.476 0.182 0.376) 0.634 18.276 ( -0.510 -1.136 -0.609) 1.386 18.276 ( -0.510 1.136 -0.609) 1.386 18.417 ( 0.140 -0.249 -0.129) 0.313 18.417 ( 0.140 0.249 -0.129) 0.313 20.689 ( 0.208 -0.145 0.188) 0.316 20.689 ( 0.208 0.145 0.188) 0.316 20.783 ( -0.302 -0.181 -0.366) 0.508 20.783 ( -0.302 0.181 -0.366) 0.508 21.570 ( 0.708 -0.307 -0.902) 1.187 21.570 ( 0.708 0.307 -0.902) 1.187 21.580 ( -1.036 -0.263 0.796) 1.333 21.580 ( -1.036 0.263 0.796) 1.333 27.262 ( 0.155 -0.262 -0.000) 0.305 27.262 ( 0.155 0.262 -0.000) 0.305 27.285 ( -0.209 -0.441 0.070) 0.493 27.285 ( -0.209 0.441 0.070) 0.493 27.681 ( -0.201 -0.181 0.133) 0.301 27.681 ( -0.201 0.181 0.133) 0.301 27.722 ( 0.022 -0.222 -0.147) 0.267 27.722 ( 0.022 0.222 -0.147) 0.267 35.270 ( 2.314 -2.845 0.268) 3.678 35.270 ( 2.314 2.845 0.268) 3.678 35.533 ( 0.308 -3.041 -0.129) 3.060 35.533 ( 0.308 3.041 -0.129) 3.060 36.026 ( 0.675 -1.050 -0.274) 1.278 36.026 ( 0.675 1.050 -0.274) 1.278 36.399 ( -1.757 -1.316 -0.419) 2.235 36.399 ( -1.757 1.316 -0.419) 2.235 39.470 ( 2.155 -1.135 -0.858) 2.582 39.470 ( 2.155 1.135 -0.858) 2.582 39.531 ( -2.261 -2.776 2.078) 4.140 39.531 ( -2.261 2.776 2.078) 4.140 40.755 ( -0.137 -4.396 -2.288) 4.958 40.755 ( -0.137 4.396 -2.288) 4.958 41.025 ( 0.027 -3.051 1.683) 3.484 41.025 ( 0.027 3.051 1.683) 3.484 =================== 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 3/37440 10.0 1658.525 1824.655 2284.723 0.000 63.122 0.000 3/37440 20.0 171.556 205.007 212.628 0.000 9.535 0.000 3/37440 30.0 43.898 56.741 57.077 0.000 1.497 0.000 3/37440 40.0 18.782 25.369 24.778 0.000 0.350 0.000 3/37440 50.0 10.562 14.615 13.933 0.000 0.104 0.000 3/37440 60.0 6.967 9.763 9.143 0.000 0.035 0.000 3/37440 70.0 5.088 7.171 6.631 0.000 0.012 0.000 3/37440 80.0 3.978 5.617 5.149 0.000 0.002 0.000 3/37440 90.0 3.262 4.604 4.195 0.000 -0.002 0.000 3/37440 100.0 2.768 3.901 3.540 0.000 -0.005 0.000 3/37440 110.0 2.409 3.388 3.066 0.000 -0.006 0.000 3/37440 120.0 2.136 2.998 2.710 0.000 -0.008 0.000 3/37440 130.0 1.923 2.693 2.431 0.000 -0.009 0.000 3/37440 140.0 1.750 2.447 2.209 0.000 -0.011 0.000 3/37440 150.0 1.608 2.244 2.026 0.000 -0.012 0.000 3/37440 160.0 1.489 2.075 1.874 0.000 -0.012 0.000 3/37440 170.0 1.388 1.931 1.744 0.000 -0.013 0.000 3/37440 180.0 1.300 1.807 1.633 0.000 -0.014 0.000 3/37440 190.0 1.223 1.699 1.536 0.000 -0.014 0.000 3/37440 200.0 1.156 1.603 1.451 0.000 -0.015 0.000 3/37440 210.0 1.096 1.519 1.375 0.000 -0.015 0.000 3/37440 220.0 1.042 1.443 1.307 0.000 -0.015 0.000 3/37440 230.0 0.994 1.375 1.246 0.000 -0.015 0.000 3/37440 240.0 0.950 1.314 1.191 0.000 -0.015 0.000 3/37440 250.0 0.910 1.258 1.141 0.000 -0.015 0.000 3/37440 260.0 0.873 1.207 1.095 0.000 -0.016 0.000 3/37440 270.0 0.839 1.160 1.053 0.000 -0.016 0.000 3/37440 280.0 0.808 1.117 1.014 0.000 -0.015 0.000 3/37440 290.0 0.780 1.077 0.978 0.000 -0.015 0.000 3/37440 300.0 0.753 1.039 0.944 0.000 -0.015 0.000 3/37440 310.0 0.728 1.005 0.913 0.000 -0.015 0.000 3/37440 320.0 0.705 0.973 0.884 0.000 -0.015 0.000 3/37440 330.0 0.683 0.942 0.857 0.000 -0.015 0.000 3/37440 340.0 0.663 0.914 0.832 0.000 -0.015 0.000 3/37440 350.0 0.644 0.888 0.808 0.000 -0.015 0.000 3/37440 360.0 0.626 0.863 0.785 0.000 -0.015 0.000 3/37440 370.0 0.609 0.839 0.764 0.000 -0.015 0.000 3/37440 380.0 0.592 0.817 0.744 0.000 -0.014 0.000 3/37440 390.0 0.577 0.796 0.724 0.000 -0.014 0.000 3/37440 400.0 0.563 0.776 0.706 0.000 -0.014 0.000 3/37440 410.0 0.549 0.757 0.689 0.000 -0.014 0.000 3/37440 420.0 0.536 0.739 0.673 0.000 -0.014 0.000 3/37440 430.0 0.524 0.722 0.657 0.000 -0.014 0.000 3/37440 440.0 0.512 0.705 0.643 0.000 -0.014 0.000 3/37440 450.0 0.501 0.690 0.628 0.000 -0.013 0.000 3/37440 460.0 0.490 0.675 0.615 0.000 -0.013 0.000 3/37440 470.0 0.480 0.661 0.602 0.000 -0.013 0.000 3/37440 480.0 0.470 0.647 0.590 0.000 -0.013 0.000 3/37440 490.0 0.460 0.634 0.578 0.000 -0.013 0.000 3/37440 500.0 0.451 0.621 0.566 0.000 -0.013 0.000 3/37440 510.0 0.442 0.609 0.555 0.000 -0.013 0.000 3/37440 520.0 0.434 0.598 0.545 0.000 -0.012 0.000 3/37440 530.0 0.426 0.587 0.535 0.000 -0.012 0.000 3/37440 540.0 0.418 0.576 0.525 0.000 -0.012 0.000 3/37440 550.0 0.411 0.566 0.516 0.000 -0.012 0.000 3/37440 560.0 0.404 0.556 0.507 0.000 -0.012 0.000 3/37440 570.0 0.397 0.546 0.498 0.000 -0.012 0.000 3/37440 580.0 0.390 0.537 0.489 0.000 -0.012 0.000 3/37440 590.0 0.383 0.528 0.481 0.000 -0.012 0.000 3/37440 600.0 0.377 0.519 0.473 0.000 -0.012 0.000 3/37440 610.0 0.371 0.511 0.466 0.000 -0.011 0.000 3/37440 620.0 0.365 0.503 0.458 0.000 -0.011 0.000 3/37440 630.0 0.360 0.495 0.451 0.000 -0.011 0.000 3/37440 640.0 0.354 0.487 0.444 0.000 -0.011 0.000 3/37440 650.0 0.349 0.480 0.438 0.000 -0.011 0.000 3/37440 660.0 0.344 0.473 0.431 0.000 -0.011 0.000 3/37440 670.0 0.339 0.466 0.425 0.000 -0.011 0.000 3/37440 680.0 0.334 0.459 0.419 0.000 -0.011 0.000 3/37440 690.0 0.329 0.453 0.413 0.000 -0.011 0.000 3/37440 700.0 0.325 0.447 0.407 0.000 -0.010 0.000 3/37440 710.0 0.320 0.440 0.402 0.000 -0.010 0.000 3/37440 720.0 0.316 0.434 0.396 0.000 -0.010 0.000 3/37440 730.0 0.312 0.429 0.391 0.000 -0.010 0.000 3/37440 740.0 0.307 0.423 0.386 0.000 -0.010 0.000 3/37440 750.0 0.303 0.417 0.381 0.000 -0.010 0.000 3/37440 760.0 0.300 0.412 0.376 0.000 -0.010 0.000 3/37440 770.0 0.296 0.407 0.371 0.000 -0.010 0.000 3/37440 780.0 0.292 0.402 0.366 0.000 -0.010 0.000 3/37440 790.0 0.289 0.397 0.362 0.000 -0.010 0.000 3/37440 800.0 0.285 0.392 0.358 0.000 -0.010 0.000 3/37440 810.0 0.282 0.387 0.353 0.000 -0.010 0.000 3/37440 820.0 0.278 0.383 0.349 0.000 -0.009 0.000 3/37440 830.0 0.275 0.378 0.345 0.000 -0.009 0.000 3/37440 840.0 0.272 0.374 0.341 0.000 -0.009 0.000 3/37440 850.0 0.269 0.370 0.337 0.000 -0.009 0.000 3/37440 860.0 0.266 0.365 0.333 0.000 -0.009 0.000 3/37440 870.0 0.263 0.361 0.330 0.000 -0.009 0.000 3/37440 880.0 0.260 0.357 0.326 0.000 -0.009 0.000 3/37440 890.0 0.257 0.353 0.322 0.000 -0.009 0.000 3/37440 900.0 0.254 0.350 0.319 0.000 -0.009 0.000 3/37440 910.0 0.251 0.346 0.315 0.000 -0.009 0.000 3/37440 920.0 0.249 0.342 0.312 0.000 -0.009 0.000 3/37440 930.0 0.246 0.339 0.309 0.000 -0.009 0.000 3/37440 940.0 0.244 0.335 0.306 0.000 -0.009 0.000 3/37440 950.0 0.241 0.332 0.302 0.000 -0.009 0.000 3/37440 960.0 0.239 0.328 0.299 0.000 -0.008 0.000 3/37440 970.0 0.236 0.325 0.296 0.000 -0.008 0.000 3/37440 980.0 0.234 0.322 0.293 0.000 -0.008 0.000 3/37440 990.0 0.232 0.319 0.291 0.000 -0.008 0.000 3/37440 1000.0 0.230 0.315 0.288 0.000 -0.008 0.000 3/37440 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:15:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|