----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:42:49]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.141431920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871550769999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): *1 Lu 0.01676597003760 0.89674752350271 0.03553812250876 174.967 *2 Lu 0.04228626528697 0.78241388536283 0.63240920712478 174.967 3 Lu 0.45771373471303 0.21758611463717 0.13240920712478 174.967 4 Lu 0.48323402996240 0.10325247649729 0.53553812250876 174.967 5 Lu 0.51676597003760 0.60325247649729 0.96446187749124 174.967 6 Lu 0.54228626528697 0.71758611463717 0.36759079287522 174.967 7 Lu 0.95771373471303 0.28241388536283 0.86759079287522 174.967 8 Lu 0.98323402996240 0.39674752350271 0.46446187749124 174.967 *9 Te 0.03737654588943 0.50560142048519 0.15071701766783 127.600 10 Te 0.46262345411057 0.49439857951481 0.65071701766783 127.600 11 Te 0.53737654588943 0.99439857951481 0.84928298233217 127.600 12 Te 0.96262345411057 0.00560142048519 0.34928298233217 127.600 *13 O 0.09254158095366 0.15852910133306 0.47157312183462 15.999 *14 O 0.17189333420434 0.05006823830914 0.19335391669807 15.999 *15 O 0.19167769655925 0.35535192241398 0.26563015726973 15.999 *16 O 0.17177802471966 0.35753195651385 0.67996552973482 15.999 *17 O 0.24046666821242 0.88418278298510 0.43029430778313 15.999 *18 O 0.24386741138068 0.41272923132015 0.00315819742903 15.999 19 O 0.25613258861932 0.58727076867985 0.50315819742903 15.999 20 O 0.25953333178757 0.11581721701490 0.93029430778313 15.999 21 O 0.32822197528034 0.64246804348615 0.17996552973482 15.999 22 O 0.30832230344075 0.64464807758602 0.76563015726973 15.999 23 O 0.32810666579566 0.94993176169086 0.69335391669807 15.999 24 O 0.40745841904634 0.84147089866694 0.97157312183462 15.999 25 O 0.59254158095366 0.34147089866694 0.52842687816538 15.999 26 O 0.67189333420434 0.44993176169086 0.80664608330193 15.999 27 O 0.69167769655925 0.14464807758602 0.73436984273027 15.999 28 O 0.67177802471966 0.14246804348615 0.32003447026518 15.999 29 O 0.74046666821243 0.61581721701490 0.56970569221687 15.999 30 O 0.74386741138068 0.08727076867985 0.99684180257097 15.999 31 O 0.75613258861932 0.91272923132015 0.49684180257097 15.999 32 O 0.75953333178757 0.38418278298510 0.06970569221687 15.999 33 O 0.82822197528034 0.85753195651385 0.82003447026518 15.999 34 O 0.80832230344075 0.85535192241398 0.23436984273027 15.999 35 O 0.82810666579566 0.55006823830914 0.30664608330193 15.999 36 O 0.90745841904634 0.65852910133306 0.02842687816538 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.141431920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871550769999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): *1 Lu 0.01676597003760 0.89674752350271 0.03553812250876 174.967 > 1 *2 Lu 0.04228626528697 0.78241388536283 0.63240920712478 174.967 > 2 3 Lu 0.45771373471303 0.21758611463717 0.13240920712478 174.967 > 3 4 Lu 0.48323402996240 0.10325247649729 0.53553812250876 174.967 > 4 5 Lu 0.51676597003760 0.60325247649729 0.96446187749124 174.967 > 5 6 Lu 0.54228626528697 0.71758611463717 0.36759079287522 174.967 > 6 7 Lu 0.95771373471303 0.28241388536283 0.86759079287522 174.967 > 7 8 Lu 0.98323402996240 0.39674752350271 0.46446187749124 174.967 > 8 *9 Te 0.03737654588943 0.50560142048519 0.15071701766783 127.600 > 9 10 Te 0.46262345411057 0.49439857951481 0.65071701766783 127.600 > 10 11 Te 0.53737654588943 0.99439857951481 0.84928298233217 127.600 > 11 12 Te 0.96262345411057 0.00560142048519 0.34928298233217 127.600 > 12 *13 O 0.09254158095366 0.15852910133306 0.47157312183462 15.999 > 13 *14 O 0.17189333420434 0.05006823830914 0.19335391669807 15.999 > 14 *15 O 0.19167769655925 0.35535192241398 0.26563015726973 15.999 > 15 *16 O 0.17177802471966 0.35753195651385 0.67996552973482 15.999 > 16 *17 O 0.24046666821242 0.88418278298510 0.43029430778313 15.999 > 17 *18 O 0.24386741138068 0.41272923132015 0.00315819742903 15.999 > 18 19 O 0.25613258861932 0.58727076867985 0.50315819742903 15.999 > 19 20 O 0.25953333178757 0.11581721701490 0.93029430778313 15.999 > 20 21 O 0.32822197528034 0.64246804348615 0.17996552973482 15.999 > 21 22 O 0.30832230344075 0.64464807758602 0.76563015726973 15.999 > 22 23 O 0.32810666579566 0.94993176169086 0.69335391669807 15.999 > 23 24 O 0.40745841904634 0.84147089866694 0.97157312183462 15.999 > 24 25 O 0.59254158095366 0.34147089866694 0.52842687816538 15.999 > 25 26 O 0.67189333420434 0.44993176169086 0.80664608330193 15.999 > 26 27 O 0.69167769655925 0.14464807758602 0.73436984273027 15.999 > 27 28 O 0.67177802471966 0.14246804348615 0.32003447026518 15.999 > 28 29 O 0.74046666821243 0.61581721701490 0.56970569221687 15.999 > 29 30 O 0.74386741138068 0.08727076867985 0.99684180257097 15.999 > 30 31 O 0.75613258861932 0.91272923132015 0.49684180257097 15.999 > 31 32 O 0.75953333178757 0.38418278298510 0.06970569221687 15.999 > 32 33 O 0.82822197528034 0.85753195651385 0.82003447026518 15.999 > 33 34 O 0.80832230344075 0.85535192241398 0.23436984273027 15.999 > 34 35 O 0.82810666579566 0.55006823830914 0.30664608330193 15.999 > 35 36 O 0.90745841904634 0.65852910133306 0.02842687816538 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.282863839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.743101539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): *1 Lu 0.00838298501880 0.44837376175136 0.03553812250876 174.967 > 1 2 Lu 0.50838298501880 0.44837376175136 0.03553812250876 174.967 > 1 3 Lu 0.00838298501880 0.94837376175136 0.03553812250876 174.967 > 1 4 Lu 0.50838298501880 0.94837376175136 0.03553812250876 174.967 > 1 *5 Lu 0.02114313264349 0.39120694268142 0.63240920712478 174.967 > 2 6 Lu 0.52114313264349 0.39120694268142 0.63240920712478 174.967 > 2 7 Lu 0.02114313264349 0.89120694268142 0.63240920712478 174.967 > 2 8 Lu 0.52114313264349 0.89120694268142 0.63240920712478 174.967 > 2 9 Lu 0.22885686735651 0.10879305731858 0.13240920712478 174.967 > 3 10 Lu 0.72885686735651 0.10879305731858 0.13240920712478 174.967 > 3 11 Lu 0.22885686735651 0.60879305731858 0.13240920712478 174.967 > 3 12 Lu 0.72885686735651 0.60879305731858 0.13240920712478 174.967 > 3 13 Lu 0.24161701498120 0.05162623824864 0.53553812250876 174.967 > 4 14 Lu 0.74161701498120 0.05162623824864 0.53553812250876 174.967 > 4 15 Lu 0.24161701498120 0.55162623824864 0.53553812250876 174.967 > 4 16 Lu 0.74161701498120 0.55162623824864 0.53553812250876 174.967 > 4 17 Lu 0.25838298501880 0.30162623824864 0.96446187749124 174.967 > 5 18 Lu 0.75838298501880 0.30162623824864 0.96446187749124 174.967 > 5 19 Lu 0.25838298501880 0.80162623824864 0.96446187749124 174.967 > 5 20 Lu 0.75838298501880 0.80162623824864 0.96446187749124 174.967 > 5 21 Lu 0.27114313264349 0.35879305731858 0.36759079287522 174.967 > 6 22 Lu 0.77114313264349 0.35879305731858 0.36759079287522 174.967 > 6 23 Lu 0.27114313264349 0.85879305731858 0.36759079287522 174.967 > 6 24 Lu 0.77114313264349 0.85879305731858 0.36759079287522 174.967 > 6 25 Lu 0.47885686735651 0.14120694268142 0.86759079287522 174.967 > 7 26 Lu 0.97885686735651 0.14120694268142 0.86759079287522 174.967 > 7 27 Lu 0.47885686735651 0.64120694268142 0.86759079287522 174.967 > 7 28 Lu 0.97885686735651 0.64120694268142 0.86759079287522 174.967 > 7 29 Lu 0.49161701498120 0.19837376175136 0.46446187749124 174.967 > 8 30 Lu 0.99161701498120 0.19837376175136 0.46446187749124 174.967 > 8 31 Lu 0.49161701498120 0.69837376175136 0.46446187749124 174.967 > 8 32 Lu 0.99161701498120 0.69837376175136 0.46446187749124 174.967 > 8 *33 Te 0.01868827294471 0.25280071024259 0.15071701766783 127.600 > 9 34 Te 0.51868827294471 0.25280071024259 0.15071701766783 127.600 > 9 35 Te 0.01868827294471 0.75280071024259 0.15071701766783 127.600 > 9 36 Te 0.51868827294471 0.75280071024259 0.15071701766783 127.600 > 9 37 Te 0.23131172705529 0.24719928975741 0.65071701766783 127.600 > 10 38 Te 0.73131172705529 0.24719928975741 0.65071701766783 127.600 > 10 39 Te 0.23131172705529 0.74719928975741 0.65071701766783 127.600 > 10 40 Te 0.73131172705529 0.74719928975741 0.65071701766783 127.600 > 10 41 Te 0.26868827294471 0.49719928975741 0.84928298233217 127.600 > 11 42 Te 0.76868827294471 0.49719928975741 0.84928298233217 127.600 > 11 43 Te 0.26868827294471 0.99719928975741 0.84928298233217 127.600 > 11 44 Te 0.76868827294471 0.99719928975741 0.84928298233217 127.600 > 11 45 Te 0.48131172705529 0.00280071024259 0.34928298233217 127.600 > 12 46 Te 0.98131172705529 0.00280071024259 0.34928298233217 127.600 > 12 47 Te 0.48131172705529 0.50280071024259 0.34928298233217 127.600 > 12 48 Te 0.98131172705529 0.50280071024259 0.34928298233217 127.600 > 12 *49 O 0.04627079047683 0.07926455066653 0.47157312183462 15.999 > 13 50 O 0.54627079047683 0.07926455066653 0.47157312183462 15.999 > 13 51 O 0.04627079047683 0.57926455066653 0.47157312183462 15.999 > 13 52 O 0.54627079047683 0.57926455066653 0.47157312183462 15.999 > 13 *53 O 0.08594666710217 0.02503411915457 0.19335391669807 15.999 > 14 54 O 0.58594666710217 0.02503411915457 0.19335391669807 15.999 > 14 55 O 0.08594666710217 0.52503411915457 0.19335391669807 15.999 > 14 56 O 0.58594666710217 0.52503411915457 0.19335391669807 15.999 > 14 *57 O 0.09583884827962 0.17767596120699 0.26563015726973 15.999 > 15 58 O 0.59583884827962 0.17767596120699 0.26563015726973 15.999 > 15 59 O 0.09583884827962 0.67767596120699 0.26563015726973 15.999 > 15 60 O 0.59583884827962 0.67767596120699 0.26563015726973 15.999 > 15 *61 O 0.08588901235983 0.17876597825693 0.67996552973482 15.999 > 16 62 O 0.58588901235983 0.17876597825693 0.67996552973482 15.999 > 16 63 O 0.08588901235983 0.67876597825693 0.67996552973482 15.999 > 16 64 O 0.58588901235983 0.67876597825693 0.67996552973482 15.999 > 16 *65 O 0.12023333410621 0.44209139149255 0.43029430778313 15.999 > 17 66 O 0.62023333410621 0.44209139149255 0.43029430778313 15.999 > 17 67 O 0.12023333410621 0.94209139149255 0.43029430778313 15.999 > 17 68 O 0.62023333410621 0.94209139149255 0.43029430778313 15.999 > 17 *69 O 0.12193370569034 0.20636461566008 0.00315819742903 15.999 > 18 70 O 0.62193370569034 0.20636461566008 0.00315819742903 15.999 > 18 71 O 0.12193370569034 0.70636461566008 0.00315819742903 15.999 > 18 72 O 0.62193370569034 0.70636461566008 0.00315819742903 15.999 > 18 73 O 0.12806629430966 0.29363538433992 0.50315819742903 15.999 > 19 74 O 0.62806629430966 0.29363538433992 0.50315819742903 15.999 > 19 75 O 0.12806629430966 0.79363538433992 0.50315819742903 15.999 > 19 76 O 0.62806629430966 0.79363538433992 0.50315819742903 15.999 > 19 77 O 0.12976666589379 0.05790860850745 0.93029430778313 15.999 > 20 78 O 0.62976666589379 0.05790860850745 0.93029430778313 15.999 > 20 79 O 0.12976666589379 0.55790860850745 0.93029430778313 15.999 > 20 80 O 0.62976666589379 0.55790860850745 0.93029430778313 15.999 > 20 81 O 0.16411098764017 0.32123402174307 0.17996552973482 15.999 > 21 82 O 0.66411098764017 0.32123402174307 0.17996552973482 15.999 > 21 83 O 0.16411098764017 0.82123402174307 0.17996552973482 15.999 > 21 84 O 0.66411098764017 0.82123402174307 0.17996552973482 15.999 > 21 85 O 0.15416115172038 0.32232403879301 0.76563015726973 15.999 > 22 86 O 0.65416115172038 0.32232403879301 0.76563015726973 15.999 > 22 87 O 0.15416115172038 0.82232403879301 0.76563015726973 15.999 > 22 88 O 0.65416115172038 0.82232403879301 0.76563015726973 15.999 > 22 89 O 0.16405333289783 0.47496588084543 0.69335391669807 15.999 > 23 90 O 0.66405333289783 0.47496588084543 0.69335391669807 15.999 > 23 91 O 0.16405333289783 0.97496588084543 0.69335391669807 15.999 > 23 92 O 0.66405333289783 0.97496588084543 0.69335391669807 15.999 > 23 93 O 0.20372920952317 0.42073544933347 0.97157312183462 15.999 > 24 94 O 0.70372920952317 0.42073544933347 0.97157312183462 15.999 > 24 95 O 0.20372920952317 0.92073544933347 0.97157312183462 15.999 > 24 96 O 0.70372920952317 0.92073544933347 0.97157312183462 15.999 > 24 97 O 0.29627079047683 0.17073544933347 0.52842687816538 15.999 > 25 98 O 0.79627079047683 0.17073544933347 0.52842687816538 15.999 > 25 99 O 0.29627079047683 0.67073544933347 0.52842687816538 15.999 > 25 100 O 0.79627079047683 0.67073544933347 0.52842687816538 15.999 > 25 101 O 0.33594666710217 0.22496588084543 0.80664608330193 15.999 > 26 102 O 0.83594666710217 0.22496588084543 0.80664608330193 15.999 > 26 103 O 0.33594666710217 0.72496588084543 0.80664608330193 15.999 > 26 104 O 0.83594666710217 0.72496588084543 0.80664608330193 15.999 > 26 105 O 0.34583884827962 0.07232403879301 0.73436984273027 15.999 > 27 106 O 0.84583884827962 0.07232403879301 0.73436984273027 15.999 > 27 107 O 0.34583884827962 0.57232403879301 0.73436984273027 15.999 > 27 108 O 0.84583884827962 0.57232403879301 0.73436984273027 15.999 > 27 109 O 0.33588901235983 0.07123402174307 0.32003447026518 15.999 > 28 110 O 0.83588901235983 0.07123402174307 0.32003447026518 15.999 > 28 111 O 0.33588901235983 0.57123402174307 0.32003447026518 15.999 > 28 112 O 0.83588901235983 0.57123402174307 0.32003447026518 15.999 > 28 113 O 0.37023333410621 0.30790860850745 0.56970569221687 15.999 > 29 114 O 0.87023333410621 0.30790860850745 0.56970569221687 15.999 > 29 115 O 0.37023333410621 0.80790860850745 0.56970569221687 15.999 > 29 116 O 0.87023333410621 0.80790860850745 0.56970569221687 15.999 > 29 117 O 0.37193370569034 0.04363538433992 0.99684180257097 15.999 > 30 118 O 0.87193370569034 0.04363538433992 0.99684180257097 15.999 > 30 119 O 0.37193370569034 0.54363538433992 0.99684180257097 15.999 > 30 120 O 0.87193370569034 0.54363538433992 0.99684180257097 15.999 > 30 121 O 0.37806629430966 0.45636461566008 0.49684180257097 15.999 > 31 122 O 0.87806629430966 0.45636461566008 0.49684180257097 15.999 > 31 123 O 0.37806629430966 0.95636461566008 0.49684180257097 15.999 > 31 124 O 0.87806629430966 0.95636461566008 0.49684180257097 15.999 > 31 125 O 0.37976666589379 0.19209139149255 0.06970569221687 15.999 > 32 126 O 0.87976666589379 0.19209139149255 0.06970569221687 15.999 > 32 127 O 0.37976666589379 0.69209139149255 0.06970569221687 15.999 > 32 128 O 0.87976666589379 0.69209139149255 0.06970569221687 15.999 > 32 129 O 0.41411098764017 0.42876597825693 0.82003447026518 15.999 > 33 130 O 0.91411098764017 0.42876597825693 0.82003447026518 15.999 > 33 131 O 0.41411098764017 0.92876597825693 0.82003447026518 15.999 > 33 132 O 0.91411098764017 0.92876597825693 0.82003447026518 15.999 > 33 133 O 0.40416115172038 0.42767596120699 0.23436984273027 15.999 > 34 134 O 0.90416115172038 0.42767596120699 0.23436984273027 15.999 > 34 135 O 0.40416115172038 0.92767596120699 0.23436984273027 15.999 > 34 136 O 0.90416115172038 0.92767596120699 0.23436984273027 15.999 > 34 137 O 0.41405333289783 0.27503411915457 0.30664608330193 15.999 > 35 138 O 0.91405333289783 0.27503411915457 0.30664608330193 15.999 > 35 139 O 0.41405333289783 0.77503411915457 0.30664608330193 15.999 > 35 140 O 0.91405333289783 0.77503411915457 0.30664608330193 15.999 > 35 141 O 0.45372920952317 0.32926455066653 0.02842687816538 15.999 > 36 142 O 0.95372920952317 0.32926455066653 0.02842687816538 15.999 > 36 143 O 0.45372920952317 0.82926455066653 0.02842687816538 15.999 > 36 144 O 0.95372920952317 0.82926455066653 0.02842687816538 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0439370 0.0000000 0.0000000 0.0000000 4.0290180 0.0000000 0.0000000 0.0000000 4.0945701 -------------------------- Born effective charges -------------------------- 1 Lu 3.5640585 -0.0660070 -0.0433886 0.0540287 3.7039540 0.1480398 -0.2209802 0.0346929 3.7606412 2 Lu 4.1688486 0.1263422 0.1167418 -0.0540223 3.9797151 0.1442961 0.3106563 0.2286433 3.7631279 3 Lu 4.1688486 0.1263422 -0.1167418 -0.0540223 3.9797151 -0.1442961 -0.3106563 -0.2286433 3.7631279 4 Lu 3.5640585 -0.0660070 0.0433886 0.0540287 3.7039540 -0.1480398 0.2209802 -0.0346929 3.7606412 5 Lu 3.5640585 0.0660070 0.0433886 -0.0540287 3.7039540 0.1480398 0.2209802 0.0346929 3.7606412 6 Lu 4.1688486 -0.1263422 -0.1167418 0.0540223 3.9797151 0.1442961 -0.3106563 0.2286433 3.7631279 7 Lu 4.1688486 -0.1263422 0.1167418 0.0540223 3.9797151 -0.1442961 0.3106563 -0.2286433 3.7631279 8 Lu 3.5640585 0.0660070 -0.0433886 -0.0540287 3.7039540 -0.1480398 -0.2209802 -0.0346929 3.7606412 9 Te 5.0838159 0.1169365 0.1499815 0.0580800 4.8301793 0.0462443 0.0373435 0.2263144 4.8646474 10 Te 5.0838159 0.1169365 -0.1499815 0.0580800 4.8301793 -0.0462443 -0.0373435 -0.2263144 4.8646474 11 Te 5.0838159 -0.1169365 -0.1499815 -0.0580800 4.8301793 0.0462443 -0.0373435 0.2263144 4.8646474 12 Te 5.0838159 -0.1169365 0.1499815 -0.0580800 4.8301793 -0.0462443 0.0373435 -0.2263144 4.8646474 13 O -2.2178424 0.0838295 -0.4597588 0.0676947 -2.5496325 -0.2713960 -0.5118568 -0.1909449 -1.5295776 14 O -2.0254959 -0.6712008 0.3383851 -0.7081580 -1.9217043 0.0097905 0.4859395 0.0518234 -2.3963240 15 O -1.7304461 0.5064744 0.3521414 0.5955509 -1.8951099 0.0286739 0.3852506 0.0182944 -2.2400811 16 O -2.2323482 -0.5179314 0.3469530 -0.5270776 -1.8151190 0.3782678 0.1739874 0.3311961 -2.2864613 17 O -2.3953120 0.5466890 -0.0923720 0.5378669 -2.2119368 0.0781434 -0.1061065 0.1987020 -1.9148231 18 O -2.2152784 -0.1202962 0.1163101 -0.2283552 -2.1203460 -0.2157182 0.0399013 -0.2054713 -2.0211494 19 O -2.2152784 -0.1202962 -0.1163101 -0.2283552 -2.1203460 0.2157182 -0.0399013 0.2054713 -2.0211494 20 O -2.3953120 0.5466890 0.0923720 0.5378669 -2.2119368 -0.0781434 0.1061065 -0.1987020 -1.9148231 21 O -2.2323482 -0.5179314 -0.3469530 -0.5270776 -1.8151190 -0.3782678 -0.1739874 -0.3311961 -2.2864613 22 O -1.7304461 0.5064744 -0.3521414 0.5955509 -1.8951099 -0.0286739 -0.3852506 -0.0182944 -2.2400811 23 O -2.0254959 -0.6712008 -0.3383851 -0.7081580 -1.9217043 -0.0097905 -0.4859395 -0.0518234 -2.3963240 24 O -2.2178424 0.0838295 0.4597588 0.0676947 -2.5496325 0.2713960 0.5118568 0.1909449 -1.5295776 25 O -2.2178424 -0.0838295 0.4597588 -0.0676947 -2.5496325 -0.2713960 0.5118568 -0.1909449 -1.5295776 26 O -2.0254959 0.6712008 -0.3383851 0.7081580 -1.9217043 0.0097905 -0.4859395 0.0518234 -2.3963240 27 O -1.7304461 -0.5064744 -0.3521414 -0.5955509 -1.8951099 0.0286739 -0.3852506 0.0182944 -2.2400811 28 O -2.2323482 0.5179314 -0.3469530 0.5270776 -1.8151190 0.3782678 -0.1739874 0.3311961 -2.2864613 29 O -2.3953120 -0.5466890 0.0923720 -0.5378669 -2.2119368 0.0781434 0.1061065 0.1987020 -1.9148231 30 O -2.2152784 0.1202962 -0.1163101 0.2283552 -2.1203460 -0.2157182 -0.0399013 -0.2054713 -2.0211494 31 O -2.2152784 0.1202962 0.1163101 0.2283552 -2.1203460 0.2157182 0.0399013 0.2054713 -2.0211494 32 O -2.3953120 -0.5466890 -0.0923720 -0.5378669 -2.2119368 -0.0781434 -0.1061065 -0.1987020 -1.9148231 33 O -2.2323482 0.5179314 0.3469530 0.5270776 -1.8151190 -0.3782678 0.1739874 -0.3311961 -2.2864613 34 O -1.7304461 -0.5064744 0.3521414 -0.5955509 -1.8951099 -0.0286739 0.3852506 -0.0182944 -2.2400811 35 O -2.0254959 0.6712008 0.3383851 0.7081580 -1.9217043 -0.0097905 0.4859395 -0.0518234 -2.3963240 36 O -2.2178424 -0.0838295 -0.4597588 -0.0676947 -2.5496325 0.2713960 -0.5118568 0.1909449 -1.5295776 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.914 Solver_block: 200 / 1120 - Time: 1.711 Solver_block: 300 / 1120 - Time: 1.709 Solver_block: 400 / 1120 - Time: 1.713 Solver_block: 500 / 1120 - Time: 1.712 Solver_block: 600 / 1120 - Time: 1.717 Solver_block: 700 / 1120 - Time: 1.725 Solver_block: 800 / 1120 - Time: 1.728 Solver_block: 900 / 1120 - Time: 1.743 Solver_block: 1000 / 1120 - Time: 1.725 Solver_block: 1100 / 1120 - Time: 1.724 Solver_block: 1120 / 1120 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.173 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:44:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:44:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.141431920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871550769999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): 1 Lu 0.01676597003760 0.89674752350271 0.03553812250876 174.967 2 Lu 0.04228626528697 0.78241388536283 0.63240920712478 174.967 3 Lu 0.45771373471303 0.21758611463717 0.13240920712478 174.967 4 Lu 0.48323402996240 0.10325247649729 0.53553812250876 174.967 5 Lu 0.51676597003760 0.60325247649729 0.96446187749124 174.967 6 Lu 0.54228626528697 0.71758611463717 0.36759079287522 174.967 7 Lu 0.95771373471303 0.28241388536283 0.86759079287522 174.967 8 Lu 0.98323402996240 0.39674752350271 0.46446187749124 174.967 9 Te 0.03737654588943 0.50560142048519 0.15071701766783 127.600 10 Te 0.46262345411057 0.49439857951481 0.65071701766783 127.600 11 Te 0.53737654588943 0.99439857951481 0.84928298233217 127.600 12 Te 0.96262345411057 0.00560142048519 0.34928298233217 127.600 13 O 0.09254158095366 0.15852910133306 0.47157312183462 15.999 14 O 0.17189333420434 0.05006823830914 0.19335391669807 15.999 15 O 0.19167769655925 0.35535192241398 0.26563015726973 15.999 16 O 0.17177802471966 0.35753195651385 0.67996552973482 15.999 17 O 0.24046666821242 0.88418278298510 0.43029430778313 15.999 18 O 0.24386741138068 0.41272923132015 0.00315819742903 15.999 19 O 0.25613258861932 0.58727076867985 0.50315819742903 15.999 20 O 0.25953333178757 0.11581721701490 0.93029430778313 15.999 21 O 0.32822197528034 0.64246804348615 0.17996552973482 15.999 22 O 0.30832230344075 0.64464807758602 0.76563015726973 15.999 23 O 0.32810666579566 0.94993176169086 0.69335391669807 15.999 24 O 0.40745841904634 0.84147089866694 0.97157312183462 15.999 25 O 0.59254158095366 0.34147089866694 0.52842687816538 15.999 26 O 0.67189333420434 0.44993176169086 0.80664608330193 15.999 27 O 0.69167769655925 0.14464807758602 0.73436984273027 15.999 28 O 0.67177802471966 0.14246804348615 0.32003447026518 15.999 29 O 0.74046666821243 0.61581721701490 0.56970569221687 15.999 30 O 0.74386741138068 0.08727076867985 0.99684180257097 15.999 31 O 0.75613258861932 0.91272923132015 0.49684180257097 15.999 32 O 0.75953333178757 0.38418278298510 0.06970569221687 15.999 33 O 0.82822197528034 0.85753195651385 0.82003447026518 15.999 34 O 0.80832230344075 0.85535192241398 0.23436984273027 15.999 35 O 0.82810666579566 0.55006823830914 0.30664608330193 15.999 36 O 0.90745841904634 0.65852910133306 0.02842687816538 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.282863839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.743101539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): 1 Lu 0.00838298501880 0.44837376175136 0.03553812250876 174.967 > 1 2 Lu 0.50838298501880 0.44837376175136 0.03553812250876 174.967 > 1 3 Lu 0.00838298501880 0.94837376175136 0.03553812250876 174.967 > 1 4 Lu 0.50838298501880 0.94837376175136 0.03553812250876 174.967 > 1 5 Lu 0.02114313264349 0.39120694268142 0.63240920712478 174.967 > 5 6 Lu 0.52114313264349 0.39120694268142 0.63240920712478 174.967 > 5 7 Lu 0.02114313264349 0.89120694268142 0.63240920712478 174.967 > 5 8 Lu 0.52114313264349 0.89120694268142 0.63240920712478 174.967 > 5 9 Lu 0.22885686735651 0.10879305731858 0.13240920712478 174.967 > 9 10 Lu 0.72885686735651 0.10879305731858 0.13240920712478 174.967 > 9 11 Lu 0.22885686735651 0.60879305731858 0.13240920712478 174.967 > 9 12 Lu 0.72885686735651 0.60879305731858 0.13240920712478 174.967 > 9 13 Lu 0.24161701498120 0.05162623824864 0.53553812250876 174.967 > 13 14 Lu 0.74161701498120 0.05162623824864 0.53553812250876 174.967 > 13 15 Lu 0.24161701498120 0.55162623824864 0.53553812250876 174.967 > 13 16 Lu 0.74161701498120 0.55162623824864 0.53553812250876 174.967 > 13 17 Lu 0.25838298501880 0.30162623824864 0.96446187749124 174.967 > 17 18 Lu 0.75838298501880 0.30162623824864 0.96446187749124 174.967 > 17 19 Lu 0.25838298501880 0.80162623824864 0.96446187749124 174.967 > 17 20 Lu 0.75838298501880 0.80162623824864 0.96446187749124 174.967 > 17 21 Lu 0.27114313264349 0.35879305731858 0.36759079287522 174.967 > 21 22 Lu 0.77114313264349 0.35879305731858 0.36759079287522 174.967 > 21 23 Lu 0.27114313264349 0.85879305731858 0.36759079287522 174.967 > 21 24 Lu 0.77114313264349 0.85879305731858 0.36759079287522 174.967 > 21 25 Lu 0.47885686735651 0.14120694268142 0.86759079287522 174.967 > 25 26 Lu 0.97885686735651 0.14120694268142 0.86759079287522 174.967 > 25 27 Lu 0.47885686735651 0.64120694268142 0.86759079287522 174.967 > 25 28 Lu 0.97885686735651 0.64120694268142 0.86759079287522 174.967 > 25 29 Lu 0.49161701498120 0.19837376175136 0.46446187749124 174.967 > 29 30 Lu 0.99161701498120 0.19837376175136 0.46446187749124 174.967 > 29 31 Lu 0.49161701498120 0.69837376175136 0.46446187749124 174.967 > 29 32 Lu 0.99161701498120 0.69837376175136 0.46446187749124 174.967 > 29 33 Te 0.01868827294471 0.25280071024259 0.15071701766783 127.600 > 33 34 Te 0.51868827294471 0.25280071024259 0.15071701766783 127.600 > 33 35 Te 0.01868827294471 0.75280071024259 0.15071701766783 127.600 > 33 36 Te 0.51868827294471 0.75280071024259 0.15071701766783 127.600 > 33 37 Te 0.23131172705529 0.24719928975741 0.65071701766783 127.600 > 37 38 Te 0.73131172705529 0.24719928975741 0.65071701766783 127.600 > 37 39 Te 0.23131172705529 0.74719928975741 0.65071701766783 127.600 > 37 40 Te 0.73131172705529 0.74719928975741 0.65071701766783 127.600 > 37 41 Te 0.26868827294471 0.49719928975741 0.84928298233217 127.600 > 41 42 Te 0.76868827294471 0.49719928975741 0.84928298233217 127.600 > 41 43 Te 0.26868827294471 0.99719928975741 0.84928298233217 127.600 > 41 44 Te 0.76868827294471 0.99719928975741 0.84928298233217 127.600 > 41 45 Te 0.48131172705529 0.00280071024259 0.34928298233217 127.600 > 45 46 Te 0.98131172705529 0.00280071024259 0.34928298233217 127.600 > 45 47 Te 0.48131172705529 0.50280071024259 0.34928298233217 127.600 > 45 48 Te 0.98131172705529 0.50280071024259 0.34928298233217 127.600 > 45 49 O 0.04627079047683 0.07926455066653 0.47157312183462 15.999 > 49 50 O 0.54627079047683 0.07926455066653 0.47157312183462 15.999 > 49 51 O 0.04627079047683 0.57926455066653 0.47157312183462 15.999 > 49 52 O 0.54627079047683 0.57926455066653 0.47157312183462 15.999 > 49 53 O 0.08594666710217 0.02503411915457 0.19335391669807 15.999 > 53 54 O 0.58594666710217 0.02503411915457 0.19335391669807 15.999 > 53 55 O 0.08594666710217 0.52503411915457 0.19335391669807 15.999 > 53 56 O 0.58594666710217 0.52503411915457 0.19335391669807 15.999 > 53 57 O 0.09583884827962 0.17767596120699 0.26563015726973 15.999 > 57 58 O 0.59583884827962 0.17767596120699 0.26563015726973 15.999 > 57 59 O 0.09583884827962 0.67767596120699 0.26563015726973 15.999 > 57 60 O 0.59583884827962 0.67767596120699 0.26563015726973 15.999 > 57 61 O 0.08588901235983 0.17876597825693 0.67996552973482 15.999 > 61 62 O 0.58588901235983 0.17876597825693 0.67996552973482 15.999 > 61 63 O 0.08588901235983 0.67876597825693 0.67996552973482 15.999 > 61 64 O 0.58588901235983 0.67876597825693 0.67996552973482 15.999 > 61 65 O 0.12023333410621 0.44209139149255 0.43029430778313 15.999 > 65 66 O 0.62023333410621 0.44209139149255 0.43029430778313 15.999 > 65 67 O 0.12023333410621 0.94209139149255 0.43029430778313 15.999 > 65 68 O 0.62023333410621 0.94209139149255 0.43029430778313 15.999 > 65 69 O 0.12193370569034 0.20636461566008 0.00315819742903 15.999 > 69 70 O 0.62193370569034 0.20636461566008 0.00315819742903 15.999 > 69 71 O 0.12193370569034 0.70636461566008 0.00315819742903 15.999 > 69 72 O 0.62193370569034 0.70636461566008 0.00315819742903 15.999 > 69 73 O 0.12806629430966 0.29363538433992 0.50315819742903 15.999 > 73 74 O 0.62806629430966 0.29363538433992 0.50315819742903 15.999 > 73 75 O 0.12806629430966 0.79363538433992 0.50315819742903 15.999 > 73 76 O 0.62806629430966 0.79363538433992 0.50315819742903 15.999 > 73 77 O 0.12976666589379 0.05790860850745 0.93029430778313 15.999 > 77 78 O 0.62976666589379 0.05790860850745 0.93029430778313 15.999 > 77 79 O 0.12976666589379 0.55790860850745 0.93029430778313 15.999 > 77 80 O 0.62976666589379 0.55790860850745 0.93029430778313 15.999 > 77 81 O 0.16411098764017 0.32123402174307 0.17996552973482 15.999 > 81 82 O 0.66411098764017 0.32123402174307 0.17996552973482 15.999 > 81 83 O 0.16411098764017 0.82123402174307 0.17996552973482 15.999 > 81 84 O 0.66411098764017 0.82123402174307 0.17996552973482 15.999 > 81 85 O 0.15416115172038 0.32232403879301 0.76563015726973 15.999 > 85 86 O 0.65416115172038 0.32232403879301 0.76563015726973 15.999 > 85 87 O 0.15416115172038 0.82232403879301 0.76563015726973 15.999 > 85 88 O 0.65416115172038 0.82232403879301 0.76563015726973 15.999 > 85 89 O 0.16405333289783 0.47496588084543 0.69335391669807 15.999 > 89 90 O 0.66405333289783 0.47496588084543 0.69335391669807 15.999 > 89 91 O 0.16405333289783 0.97496588084543 0.69335391669807 15.999 > 89 92 O 0.66405333289783 0.97496588084543 0.69335391669807 15.999 > 89 93 O 0.20372920952317 0.42073544933347 0.97157312183462 15.999 > 93 94 O 0.70372920952317 0.42073544933347 0.97157312183462 15.999 > 93 95 O 0.20372920952317 0.92073544933347 0.97157312183462 15.999 > 93 96 O 0.70372920952317 0.92073544933347 0.97157312183462 15.999 > 93 97 O 0.29627079047683 0.17073544933347 0.52842687816538 15.999 > 97 98 O 0.79627079047683 0.17073544933347 0.52842687816538 15.999 > 97 99 O 0.29627079047683 0.67073544933347 0.52842687816538 15.999 > 97 100 O 0.79627079047683 0.67073544933347 0.52842687816538 15.999 > 97 101 O 0.33594666710217 0.22496588084543 0.80664608330193 15.999 > 101 102 O 0.83594666710217 0.22496588084543 0.80664608330193 15.999 > 101 103 O 0.33594666710217 0.72496588084543 0.80664608330193 15.999 > 101 104 O 0.83594666710217 0.72496588084543 0.80664608330193 15.999 > 101 105 O 0.34583884827962 0.07232403879301 0.73436984273027 15.999 > 105 106 O 0.84583884827962 0.07232403879301 0.73436984273027 15.999 > 105 107 O 0.34583884827962 0.57232403879301 0.73436984273027 15.999 > 105 108 O 0.84583884827962 0.57232403879301 0.73436984273027 15.999 > 105 109 O 0.33588901235983 0.07123402174307 0.32003447026518 15.999 > 109 110 O 0.83588901235983 0.07123402174307 0.32003447026518 15.999 > 109 111 O 0.33588901235983 0.57123402174307 0.32003447026518 15.999 > 109 112 O 0.83588901235983 0.57123402174307 0.32003447026518 15.999 > 109 113 O 0.37023333410621 0.30790860850745 0.56970569221687 15.999 > 113 114 O 0.87023333410621 0.30790860850745 0.56970569221687 15.999 > 113 115 O 0.37023333410621 0.80790860850745 0.56970569221687 15.999 > 113 116 O 0.87023333410621 0.80790860850745 0.56970569221687 15.999 > 113 117 O 0.37193370569034 0.04363538433992 0.99684180257097 15.999 > 117 118 O 0.87193370569034 0.04363538433992 0.99684180257097 15.999 > 117 119 O 0.37193370569034 0.54363538433992 0.99684180257097 15.999 > 117 120 O 0.87193370569034 0.54363538433992 0.99684180257097 15.999 > 117 121 O 0.37806629430966 0.45636461566008 0.49684180257097 15.999 > 121 122 O 0.87806629430966 0.45636461566008 0.49684180257097 15.999 > 121 123 O 0.37806629430966 0.95636461566008 0.49684180257097 15.999 > 121 124 O 0.87806629430966 0.95636461566008 0.49684180257097 15.999 > 121 125 O 0.37976666589379 0.19209139149255 0.06970569221687 15.999 > 125 126 O 0.87976666589379 0.19209139149255 0.06970569221687 15.999 > 125 127 O 0.37976666589379 0.69209139149255 0.06970569221687 15.999 > 125 128 O 0.87976666589379 0.69209139149255 0.06970569221687 15.999 > 125 129 O 0.41411098764017 0.42876597825693 0.82003447026518 15.999 > 129 130 O 0.91411098764017 0.42876597825693 0.82003447026518 15.999 > 129 131 O 0.41411098764017 0.92876597825693 0.82003447026518 15.999 > 129 132 O 0.91411098764017 0.92876597825693 0.82003447026518 15.999 > 129 133 O 0.40416115172038 0.42767596120699 0.23436984273027 15.999 > 133 134 O 0.90416115172038 0.42767596120699 0.23436984273027 15.999 > 133 135 O 0.40416115172038 0.92767596120699 0.23436984273027 15.999 > 133 136 O 0.90416115172038 0.92767596120699 0.23436984273027 15.999 > 133 137 O 0.41405333289783 0.27503411915457 0.30664608330193 15.999 > 137 138 O 0.91405333289783 0.27503411915457 0.30664608330193 15.999 > 137 139 O 0.41405333289783 0.77503411915457 0.30664608330193 15.999 > 137 140 O 0.91405333289783 0.77503411915457 0.30664608330193 15.999 > 137 141 O 0.45372920952317 0.32926455066653 0.02842687816538 15.999 > 141 142 O 0.95372920952317 0.32926455066653 0.02842687816538 15.999 > 141 143 O 0.45372920952317 0.82926455066653 0.02842687816538 15.999 > 141 144 O 0.95372920952317 0.82926455066653 0.02842687816538 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0439370 0.0000000 0.0000000 0.0000000 4.0290180 0.0000000 0.0000000 0.0000000 4.0945701 -------------------------- Born effective charges -------------------------- 1 Lu 3.5640585 -0.0660070 -0.0433886 0.0540287 3.7039540 0.1480398 -0.2209802 0.0346929 3.7606412 2 Lu 4.1688486 0.1263422 0.1167418 -0.0540223 3.9797151 0.1442961 0.3106563 0.2286433 3.7631279 3 Lu 4.1688486 0.1263422 -0.1167418 -0.0540223 3.9797151 -0.1442961 -0.3106563 -0.2286433 3.7631279 4 Lu 3.5640585 -0.0660070 0.0433886 0.0540287 3.7039540 -0.1480398 0.2209802 -0.0346929 3.7606412 5 Lu 3.5640585 0.0660070 0.0433886 -0.0540287 3.7039540 0.1480398 0.2209802 0.0346929 3.7606412 6 Lu 4.1688486 -0.1263422 -0.1167418 0.0540223 3.9797151 0.1442961 -0.3106563 0.2286433 3.7631279 7 Lu 4.1688486 -0.1263422 0.1167418 0.0540223 3.9797151 -0.1442961 0.3106563 -0.2286433 3.7631279 8 Lu 3.5640585 0.0660070 -0.0433886 -0.0540287 3.7039540 -0.1480398 -0.2209802 -0.0346929 3.7606412 9 Te 5.0838159 0.1169365 0.1499815 0.0580800 4.8301793 0.0462443 0.0373435 0.2263144 4.8646474 10 Te 5.0838159 0.1169365 -0.1499815 0.0580800 4.8301793 -0.0462443 -0.0373435 -0.2263144 4.8646474 11 Te 5.0838159 -0.1169365 -0.1499815 -0.0580800 4.8301793 0.0462443 -0.0373435 0.2263144 4.8646474 12 Te 5.0838159 -0.1169365 0.1499815 -0.0580800 4.8301793 -0.0462443 0.0373435 -0.2263144 4.8646474 13 O -2.2178424 0.0838295 -0.4597588 0.0676947 -2.5496325 -0.2713960 -0.5118568 -0.1909449 -1.5295776 14 O -2.0254959 -0.6712008 0.3383851 -0.7081580 -1.9217043 0.0097905 0.4859395 0.0518234 -2.3963240 15 O -1.7304461 0.5064744 0.3521414 0.5955509 -1.8951099 0.0286739 0.3852506 0.0182944 -2.2400811 16 O -2.2323482 -0.5179314 0.3469530 -0.5270776 -1.8151190 0.3782678 0.1739874 0.3311961 -2.2864613 17 O -2.3953120 0.5466890 -0.0923720 0.5378669 -2.2119368 0.0781434 -0.1061065 0.1987020 -1.9148231 18 O -2.2152784 -0.1202962 0.1163101 -0.2283552 -2.1203460 -0.2157182 0.0399013 -0.2054713 -2.0211494 19 O -2.2152784 -0.1202962 -0.1163101 -0.2283552 -2.1203460 0.2157182 -0.0399013 0.2054713 -2.0211494 20 O -2.3953120 0.5466890 0.0923720 0.5378669 -2.2119368 -0.0781434 0.1061065 -0.1987020 -1.9148231 21 O -2.2323482 -0.5179314 -0.3469530 -0.5270776 -1.8151190 -0.3782678 -0.1739874 -0.3311961 -2.2864613 22 O -1.7304461 0.5064744 -0.3521414 0.5955509 -1.8951099 -0.0286739 -0.3852506 -0.0182944 -2.2400811 23 O -2.0254959 -0.6712008 -0.3383851 -0.7081580 -1.9217043 -0.0097905 -0.4859395 -0.0518234 -2.3963240 24 O -2.2178424 0.0838295 0.4597588 0.0676947 -2.5496325 0.2713960 0.5118568 0.1909449 -1.5295776 25 O -2.2178424 -0.0838295 0.4597588 -0.0676947 -2.5496325 -0.2713960 0.5118568 -0.1909449 -1.5295776 26 O -2.0254959 0.6712008 -0.3383851 0.7081580 -1.9217043 0.0097905 -0.4859395 0.0518234 -2.3963240 27 O -1.7304461 -0.5064744 -0.3521414 -0.5955509 -1.8951099 0.0286739 -0.3852506 0.0182944 -2.2400811 28 O -2.2323482 0.5179314 -0.3469530 0.5270776 -1.8151190 0.3782678 -0.1739874 0.3311961 -2.2864613 29 O -2.3953120 -0.5466890 0.0923720 -0.5378669 -2.2119368 0.0781434 0.1061065 0.1987020 -1.9148231 30 O -2.2152784 0.1202962 -0.1163101 0.2283552 -2.1203460 -0.2157182 -0.0399013 -0.2054713 -2.0211494 31 O -2.2152784 0.1202962 0.1163101 0.2283552 -2.1203460 0.2157182 0.0399013 0.2054713 -2.0211494 32 O -2.3953120 -0.5466890 -0.0923720 -0.5378669 -2.2119368 -0.0781434 -0.1061065 -0.1987020 -1.9148231 33 O -2.2323482 0.5179314 0.3469530 0.5270776 -1.8151190 -0.3782678 0.1739874 -0.3311961 -2.2864613 34 O -1.7304461 -0.5064744 0.3521414 -0.5955509 -1.8951099 -0.0286739 0.3852506 -0.0182944 -2.2400811 35 O -2.0254959 0.6712008 0.3383851 0.7081580 -1.9217043 -0.0097905 0.4859395 -0.0518234 -2.3963240 36 O -2.2178424 -0.0838295 -0.4597588 -0.0676947 -2.5496325 0.2713960 -0.5118568 0.1909449 -1.5295776 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:45:15]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.141431920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871550769999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): 1 Lu 0.01676597003760 0.89674752350271 0.03553812250876 174.967 2 Lu 0.04228626528697 0.78241388536283 0.63240920712478 174.967 3 Lu 0.45771373471303 0.21758611463717 0.13240920712478 174.967 4 Lu 0.48323402996240 0.10325247649729 0.53553812250876 174.967 5 Lu 0.51676597003760 0.60325247649729 0.96446187749124 174.967 6 Lu 0.54228626528697 0.71758611463717 0.36759079287522 174.967 7 Lu 0.95771373471303 0.28241388536283 0.86759079287522 174.967 8 Lu 0.98323402996240 0.39674752350271 0.46446187749124 174.967 9 Te 0.03737654588943 0.50560142048519 0.15071701766783 127.600 10 Te 0.46262345411057 0.49439857951481 0.65071701766783 127.600 11 Te 0.53737654588943 0.99439857951481 0.84928298233217 127.600 12 Te 0.96262345411057 0.00560142048519 0.34928298233217 127.600 13 O 0.09254158095366 0.15852910133306 0.47157312183462 15.999 14 O 0.17189333420434 0.05006823830914 0.19335391669807 15.999 15 O 0.19167769655925 0.35535192241398 0.26563015726973 15.999 16 O 0.17177802471966 0.35753195651385 0.67996552973482 15.999 17 O 0.24046666821242 0.88418278298510 0.43029430778313 15.999 18 O 0.24386741138068 0.41272923132015 0.00315819742903 15.999 19 O 0.25613258861932 0.58727076867985 0.50315819742903 15.999 20 O 0.25953333178757 0.11581721701490 0.93029430778313 15.999 21 O 0.32822197528034 0.64246804348615 0.17996552973482 15.999 22 O 0.30832230344075 0.64464807758602 0.76563015726973 15.999 23 O 0.32810666579566 0.94993176169086 0.69335391669807 15.999 24 O 0.40745841904634 0.84147089866694 0.97157312183462 15.999 25 O 0.59254158095366 0.34147089866694 0.52842687816538 15.999 26 O 0.67189333420434 0.44993176169086 0.80664608330193 15.999 27 O 0.69167769655925 0.14464807758602 0.73436984273027 15.999 28 O 0.67177802471966 0.14246804348615 0.32003447026518 15.999 29 O 0.74046666821243 0.61581721701490 0.56970569221687 15.999 30 O 0.74386741138068 0.08727076867985 0.99684180257097 15.999 31 O 0.75613258861932 0.91272923132015 0.49684180257097 15.999 32 O 0.75953333178757 0.38418278298510 0.06970569221687 15.999 33 O 0.82822197528034 0.85753195651385 0.82003447026518 15.999 34 O 0.80832230344075 0.85535192241398 0.23436984273027 15.999 35 O 0.82810666579566 0.55006823830914 0.30664608330193 15.999 36 O 0.90745841904634 0.65852910133306 0.02842687816538 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.282863839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.743101539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.730117329999999 Atomic positions (fractional): 1 Lu 0.00838298501880 0.44837376175136 0.03553812250876 174.967 > 1 2 Lu 0.50838298501880 0.44837376175136 0.03553812250876 174.967 > 1 3 Lu 0.00838298501880 0.94837376175136 0.03553812250876 174.967 > 1 4 Lu 0.50838298501880 0.94837376175136 0.03553812250876 174.967 > 1 5 Lu 0.02114313264349 0.39120694268142 0.63240920712478 174.967 > 5 6 Lu 0.52114313264349 0.39120694268142 0.63240920712478 174.967 > 5 7 Lu 0.02114313264349 0.89120694268142 0.63240920712478 174.967 > 5 8 Lu 0.52114313264349 0.89120694268142 0.63240920712478 174.967 > 5 9 Lu 0.22885686735651 0.10879305731858 0.13240920712478 174.967 > 9 10 Lu 0.72885686735651 0.10879305731858 0.13240920712478 174.967 > 9 11 Lu 0.22885686735651 0.60879305731858 0.13240920712478 174.967 > 9 12 Lu 0.72885686735651 0.60879305731858 0.13240920712478 174.967 > 9 13 Lu 0.24161701498120 0.05162623824864 0.53553812250876 174.967 > 13 14 Lu 0.74161701498120 0.05162623824864 0.53553812250876 174.967 > 13 15 Lu 0.24161701498120 0.55162623824864 0.53553812250876 174.967 > 13 16 Lu 0.74161701498120 0.55162623824864 0.53553812250876 174.967 > 13 17 Lu 0.25838298501880 0.30162623824864 0.96446187749124 174.967 > 17 18 Lu 0.75838298501880 0.30162623824864 0.96446187749124 174.967 > 17 19 Lu 0.25838298501880 0.80162623824864 0.96446187749124 174.967 > 17 20 Lu 0.75838298501880 0.80162623824864 0.96446187749124 174.967 > 17 21 Lu 0.27114313264349 0.35879305731858 0.36759079287522 174.967 > 21 22 Lu 0.77114313264349 0.35879305731858 0.36759079287522 174.967 > 21 23 Lu 0.27114313264349 0.85879305731858 0.36759079287522 174.967 > 21 24 Lu 0.77114313264349 0.85879305731858 0.36759079287522 174.967 > 21 25 Lu 0.47885686735651 0.14120694268142 0.86759079287522 174.967 > 25 26 Lu 0.97885686735651 0.14120694268142 0.86759079287522 174.967 > 25 27 Lu 0.47885686735651 0.64120694268142 0.86759079287522 174.967 > 25 28 Lu 0.97885686735651 0.64120694268142 0.86759079287522 174.967 > 25 29 Lu 0.49161701498120 0.19837376175136 0.46446187749124 174.967 > 29 30 Lu 0.99161701498120 0.19837376175136 0.46446187749124 174.967 > 29 31 Lu 0.49161701498120 0.69837376175136 0.46446187749124 174.967 > 29 32 Lu 0.99161701498120 0.69837376175136 0.46446187749124 174.967 > 29 33 Te 0.01868827294471 0.25280071024259 0.15071701766783 127.600 > 33 34 Te 0.51868827294471 0.25280071024259 0.15071701766783 127.600 > 33 35 Te 0.01868827294471 0.75280071024259 0.15071701766783 127.600 > 33 36 Te 0.51868827294471 0.75280071024259 0.15071701766783 127.600 > 33 37 Te 0.23131172705529 0.24719928975741 0.65071701766783 127.600 > 37 38 Te 0.73131172705529 0.24719928975741 0.65071701766783 127.600 > 37 39 Te 0.23131172705529 0.74719928975741 0.65071701766783 127.600 > 37 40 Te 0.73131172705529 0.74719928975741 0.65071701766783 127.600 > 37 41 Te 0.26868827294471 0.49719928975741 0.84928298233217 127.600 > 41 42 Te 0.76868827294471 0.49719928975741 0.84928298233217 127.600 > 41 43 Te 0.26868827294471 0.99719928975741 0.84928298233217 127.600 > 41 44 Te 0.76868827294471 0.99719928975741 0.84928298233217 127.600 > 41 45 Te 0.48131172705529 0.00280071024259 0.34928298233217 127.600 > 45 46 Te 0.98131172705529 0.00280071024259 0.34928298233217 127.600 > 45 47 Te 0.48131172705529 0.50280071024259 0.34928298233217 127.600 > 45 48 Te 0.98131172705529 0.50280071024259 0.34928298233217 127.600 > 45 49 O 0.04627079047683 0.07926455066653 0.47157312183462 15.999 > 49 50 O 0.54627079047683 0.07926455066653 0.47157312183462 15.999 > 49 51 O 0.04627079047683 0.57926455066653 0.47157312183462 15.999 > 49 52 O 0.54627079047683 0.57926455066653 0.47157312183462 15.999 > 49 53 O 0.08594666710217 0.02503411915457 0.19335391669807 15.999 > 53 54 O 0.58594666710217 0.02503411915457 0.19335391669807 15.999 > 53 55 O 0.08594666710217 0.52503411915457 0.19335391669807 15.999 > 53 56 O 0.58594666710217 0.52503411915457 0.19335391669807 15.999 > 53 57 O 0.09583884827962 0.17767596120699 0.26563015726973 15.999 > 57 58 O 0.59583884827962 0.17767596120699 0.26563015726973 15.999 > 57 59 O 0.09583884827962 0.67767596120699 0.26563015726973 15.999 > 57 60 O 0.59583884827962 0.67767596120699 0.26563015726973 15.999 > 57 61 O 0.08588901235983 0.17876597825693 0.67996552973482 15.999 > 61 62 O 0.58588901235983 0.17876597825693 0.67996552973482 15.999 > 61 63 O 0.08588901235983 0.67876597825693 0.67996552973482 15.999 > 61 64 O 0.58588901235983 0.67876597825693 0.67996552973482 15.999 > 61 65 O 0.12023333410621 0.44209139149255 0.43029430778313 15.999 > 65 66 O 0.62023333410621 0.44209139149255 0.43029430778313 15.999 > 65 67 O 0.12023333410621 0.94209139149255 0.43029430778313 15.999 > 65 68 O 0.62023333410621 0.94209139149255 0.43029430778313 15.999 > 65 69 O 0.12193370569034 0.20636461566008 0.00315819742903 15.999 > 69 70 O 0.62193370569034 0.20636461566008 0.00315819742903 15.999 > 69 71 O 0.12193370569034 0.70636461566008 0.00315819742903 15.999 > 69 72 O 0.62193370569034 0.70636461566008 0.00315819742903 15.999 > 69 73 O 0.12806629430966 0.29363538433992 0.50315819742903 15.999 > 73 74 O 0.62806629430966 0.29363538433992 0.50315819742903 15.999 > 73 75 O 0.12806629430966 0.79363538433992 0.50315819742903 15.999 > 73 76 O 0.62806629430966 0.79363538433992 0.50315819742903 15.999 > 73 77 O 0.12976666589379 0.05790860850745 0.93029430778313 15.999 > 77 78 O 0.62976666589379 0.05790860850745 0.93029430778313 15.999 > 77 79 O 0.12976666589379 0.55790860850745 0.93029430778313 15.999 > 77 80 O 0.62976666589379 0.55790860850745 0.93029430778313 15.999 > 77 81 O 0.16411098764017 0.32123402174307 0.17996552973482 15.999 > 81 82 O 0.66411098764017 0.32123402174307 0.17996552973482 15.999 > 81 83 O 0.16411098764017 0.82123402174307 0.17996552973482 15.999 > 81 84 O 0.66411098764017 0.82123402174307 0.17996552973482 15.999 > 81 85 O 0.15416115172038 0.32232403879301 0.76563015726973 15.999 > 85 86 O 0.65416115172038 0.32232403879301 0.76563015726973 15.999 > 85 87 O 0.15416115172038 0.82232403879301 0.76563015726973 15.999 > 85 88 O 0.65416115172038 0.82232403879301 0.76563015726973 15.999 > 85 89 O 0.16405333289783 0.47496588084543 0.69335391669807 15.999 > 89 90 O 0.66405333289783 0.47496588084543 0.69335391669807 15.999 > 89 91 O 0.16405333289783 0.97496588084543 0.69335391669807 15.999 > 89 92 O 0.66405333289783 0.97496588084543 0.69335391669807 15.999 > 89 93 O 0.20372920952317 0.42073544933347 0.97157312183462 15.999 > 93 94 O 0.70372920952317 0.42073544933347 0.97157312183462 15.999 > 93 95 O 0.20372920952317 0.92073544933347 0.97157312183462 15.999 > 93 96 O 0.70372920952317 0.92073544933347 0.97157312183462 15.999 > 93 97 O 0.29627079047683 0.17073544933347 0.52842687816538 15.999 > 97 98 O 0.79627079047683 0.17073544933347 0.52842687816538 15.999 > 97 99 O 0.29627079047683 0.67073544933347 0.52842687816538 15.999 > 97 100 O 0.79627079047683 0.67073544933347 0.52842687816538 15.999 > 97 101 O 0.33594666710217 0.22496588084543 0.80664608330193 15.999 > 101 102 O 0.83594666710217 0.22496588084543 0.80664608330193 15.999 > 101 103 O 0.33594666710217 0.72496588084543 0.80664608330193 15.999 > 101 104 O 0.83594666710217 0.72496588084543 0.80664608330193 15.999 > 101 105 O 0.34583884827962 0.07232403879301 0.73436984273027 15.999 > 105 106 O 0.84583884827962 0.07232403879301 0.73436984273027 15.999 > 105 107 O 0.34583884827962 0.57232403879301 0.73436984273027 15.999 > 105 108 O 0.84583884827962 0.57232403879301 0.73436984273027 15.999 > 105 109 O 0.33588901235983 0.07123402174307 0.32003447026518 15.999 > 109 110 O 0.83588901235983 0.07123402174307 0.32003447026518 15.999 > 109 111 O 0.33588901235983 0.57123402174307 0.32003447026518 15.999 > 109 112 O 0.83588901235983 0.57123402174307 0.32003447026518 15.999 > 109 113 O 0.37023333410621 0.30790860850745 0.56970569221687 15.999 > 113 114 O 0.87023333410621 0.30790860850745 0.56970569221687 15.999 > 113 115 O 0.37023333410621 0.80790860850745 0.56970569221687 15.999 > 113 116 O 0.87023333410621 0.80790860850745 0.56970569221687 15.999 > 113 117 O 0.37193370569034 0.04363538433992 0.99684180257097 15.999 > 117 118 O 0.87193370569034 0.04363538433992 0.99684180257097 15.999 > 117 119 O 0.37193370569034 0.54363538433992 0.99684180257097 15.999 > 117 120 O 0.87193370569034 0.54363538433992 0.99684180257097 15.999 > 117 121 O 0.37806629430966 0.45636461566008 0.49684180257097 15.999 > 121 122 O 0.87806629430966 0.45636461566008 0.49684180257097 15.999 > 121 123 O 0.37806629430966 0.95636461566008 0.49684180257097 15.999 > 121 124 O 0.87806629430966 0.95636461566008 0.49684180257097 15.999 > 121 125 O 0.37976666589379 0.19209139149255 0.06970569221687 15.999 > 125 126 O 0.87976666589379 0.19209139149255 0.06970569221687 15.999 > 125 127 O 0.37976666589379 0.69209139149255 0.06970569221687 15.999 > 125 128 O 0.87976666589379 0.69209139149255 0.06970569221687 15.999 > 125 129 O 0.41411098764017 0.42876597825693 0.82003447026518 15.999 > 129 130 O 0.91411098764017 0.42876597825693 0.82003447026518 15.999 > 129 131 O 0.41411098764017 0.92876597825693 0.82003447026518 15.999 > 129 132 O 0.91411098764017 0.92876597825693 0.82003447026518 15.999 > 129 133 O 0.40416115172038 0.42767596120699 0.23436984273027 15.999 > 133 134 O 0.90416115172038 0.42767596120699 0.23436984273027 15.999 > 133 135 O 0.40416115172038 0.92767596120699 0.23436984273027 15.999 > 133 136 O 0.90416115172038 0.92767596120699 0.23436984273027 15.999 > 133 137 O 0.41405333289783 0.27503411915457 0.30664608330193 15.999 > 137 138 O 0.91405333289783 0.27503411915457 0.30664608330193 15.999 > 137 139 O 0.41405333289783 0.77503411915457 0.30664608330193 15.999 > 137 140 O 0.91405333289783 0.77503411915457 0.30664608330193 15.999 > 137 141 O 0.45372920952317 0.32926455066653 0.02842687816538 15.999 > 141 142 O 0.95372920952317 0.32926455066653 0.02842687816538 15.999 > 141 143 O 0.45372920952317 0.82926455066653 0.02842687816538 15.999 > 141 144 O 0.95372920952317 0.82926455066653 0.02842687816538 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0439370 0.0000000 0.0000000 0.0000000 4.0290180 0.0000000 0.0000000 0.0000000 4.0945701 -------------------------- Born effective charges -------------------------- 1 Lu 3.5640585 -0.0660070 -0.0433886 0.0540287 3.7039540 0.1480398 -0.2209802 0.0346929 3.7606412 2 Lu 4.1688486 0.1263422 0.1167418 -0.0540223 3.9797151 0.1442961 0.3106563 0.2286433 3.7631279 3 Lu 4.1688486 0.1263422 -0.1167418 -0.0540223 3.9797151 -0.1442961 -0.3106563 -0.2286433 3.7631279 4 Lu 3.5640585 -0.0660070 0.0433886 0.0540287 3.7039540 -0.1480398 0.2209802 -0.0346929 3.7606412 5 Lu 3.5640585 0.0660070 0.0433886 -0.0540287 3.7039540 0.1480398 0.2209802 0.0346929 3.7606412 6 Lu 4.1688486 -0.1263422 -0.1167418 0.0540223 3.9797151 0.1442961 -0.3106563 0.2286433 3.7631279 7 Lu 4.1688486 -0.1263422 0.1167418 0.0540223 3.9797151 -0.1442961 0.3106563 -0.2286433 3.7631279 8 Lu 3.5640585 0.0660070 -0.0433886 -0.0540287 3.7039540 -0.1480398 -0.2209802 -0.0346929 3.7606412 9 Te 5.0838159 0.1169365 0.1499815 0.0580800 4.8301793 0.0462443 0.0373435 0.2263144 4.8646474 10 Te 5.0838159 0.1169365 -0.1499815 0.0580800 4.8301793 -0.0462443 -0.0373435 -0.2263144 4.8646474 11 Te 5.0838159 -0.1169365 -0.1499815 -0.0580800 4.8301793 0.0462443 -0.0373435 0.2263144 4.8646474 12 Te 5.0838159 -0.1169365 0.1499815 -0.0580800 4.8301793 -0.0462443 0.0373435 -0.2263144 4.8646474 13 O -2.2178424 0.0838295 -0.4597588 0.0676947 -2.5496325 -0.2713960 -0.5118568 -0.1909449 -1.5295776 14 O -2.0254959 -0.6712008 0.3383851 -0.7081580 -1.9217043 0.0097905 0.4859395 0.0518234 -2.3963240 15 O -1.7304461 0.5064744 0.3521414 0.5955509 -1.8951099 0.0286739 0.3852506 0.0182944 -2.2400811 16 O -2.2323482 -0.5179314 0.3469530 -0.5270776 -1.8151190 0.3782678 0.1739874 0.3311961 -2.2864613 17 O -2.3953120 0.5466890 -0.0923720 0.5378669 -2.2119368 0.0781434 -0.1061065 0.1987020 -1.9148231 18 O -2.2152784 -0.1202962 0.1163101 -0.2283552 -2.1203460 -0.2157182 0.0399013 -0.2054713 -2.0211494 19 O -2.2152784 -0.1202962 -0.1163101 -0.2283552 -2.1203460 0.2157182 -0.0399013 0.2054713 -2.0211494 20 O -2.3953120 0.5466890 0.0923720 0.5378669 -2.2119368 -0.0781434 0.1061065 -0.1987020 -1.9148231 21 O -2.2323482 -0.5179314 -0.3469530 -0.5270776 -1.8151190 -0.3782678 -0.1739874 -0.3311961 -2.2864613 22 O -1.7304461 0.5064744 -0.3521414 0.5955509 -1.8951099 -0.0286739 -0.3852506 -0.0182944 -2.2400811 23 O -2.0254959 -0.6712008 -0.3383851 -0.7081580 -1.9217043 -0.0097905 -0.4859395 -0.0518234 -2.3963240 24 O -2.2178424 0.0838295 0.4597588 0.0676947 -2.5496325 0.2713960 0.5118568 0.1909449 -1.5295776 25 O -2.2178424 -0.0838295 0.4597588 -0.0676947 -2.5496325 -0.2713960 0.5118568 -0.1909449 -1.5295776 26 O -2.0254959 0.6712008 -0.3383851 0.7081580 -1.9217043 0.0097905 -0.4859395 0.0518234 -2.3963240 27 O -1.7304461 -0.5064744 -0.3521414 -0.5955509 -1.8951099 0.0286739 -0.3852506 0.0182944 -2.2400811 28 O -2.2323482 0.5179314 -0.3469530 0.5270776 -1.8151190 0.3782678 -0.1739874 0.3311961 -2.2864613 29 O -2.3953120 -0.5466890 0.0923720 -0.5378669 -2.2119368 0.0781434 0.1061065 0.1987020 -1.9148231 30 O -2.2152784 0.1202962 -0.1163101 0.2283552 -2.1203460 -0.2157182 -0.0399013 -0.2054713 -2.0211494 31 O -2.2152784 0.1202962 0.1163101 0.2283552 -2.1203460 0.2157182 0.0399013 0.2054713 -2.0211494 32 O -2.3953120 -0.5466890 -0.0923720 -0.5378669 -2.2119368 -0.0781434 -0.1061065 -0.1987020 -1.9148231 33 O -2.2323482 0.5179314 0.3469530 0.5270776 -1.8151190 -0.3782678 0.1739874 -0.3311961 -2.2864613 34 O -1.7304461 -0.5064744 0.3521414 -0.5955509 -1.8951099 -0.0286739 0.3852506 -0.0182944 -2.2400811 35 O -2.0254959 0.6712008 0.3383851 0.7081580 -1.9217043 -0.0097905 0.4859395 -0.0518234 -2.3963240 36 O -2.2178424 -0.0838295 -0.4597588 -0.0676947 -2.5496325 0.2713960 -0.5118568 0.1909449 -1.5295776 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.203 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.249 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 0.000) 0.000 10.349 ( 0.000 0.000 0.000) 0.000 10.670 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.734 ( 0.000 0.000 0.000) 0.000 13.743 ( 0.000 0.000 0.000) 0.000 14.215 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.659 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.459 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 16.033 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.141 ( 0.000 0.000 0.000) 0.000 17.322 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 18.098 ( 0.000 0.000 0.000) 0.000 18.177 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 18.854 ( 0.000 0.000 0.000) 0.000 19.310 ( 0.000 0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 19.428 ( 0.000 0.000 0.000) 0.000 19.553 ( 0.000 0.000 0.000) 0.000 19.814 ( 0.000 0.000 0.000) 0.000 19.875 ( 0.000 0.000 0.000) 0.000 20.324 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 0.000) 0.000 20.717 ( 0.000 0.000 0.000) 0.000 21.105 ( 0.000 0.000 0.000) 0.000 21.305 ( 0.000 0.000 0.000) 0.000 21.549 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 22.145 ( 0.000 0.000 0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 22.851 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 29.251 0.000 0.000) 29.251 0.597 ( 29.281 0.000 0.000) 29.281 1.080 ( 54.184 0.000 0.000) 54.184 2.243 ( 0.395 0.000 0.000) 0.395 2.282 ( 7.484 0.000 0.000) 7.484 2.418 ( -2.241 0.000 0.000) 2.241 2.613 ( 6.041 0.000 0.000) 6.041 2.748 ( 1.655 0.000 0.000) 1.655 2.845 ( 3.796 0.000 0.000) 3.796 2.852 ( 4.357 0.000 0.000) 4.357 2.926 ( -1.813 0.000 0.000) 1.813 3.106 ( 0.386 0.000 0.000) 0.386 3.113 ( -0.493 0.000 0.000) 0.493 3.236 ( -2.044 0.000 0.000) 2.044 3.352 ( -0.754 0.000 0.000) 0.754 3.441 ( -1.890 0.000 0.000) 1.890 3.449 ( 0.705 0.000 0.000) 0.705 3.688 ( -4.880 0.000 0.000) 4.880 4.023 ( -3.329 0.000 0.000) 3.329 4.062 ( -1.377 0.000 0.000) 1.377 4.084 ( -5.863 0.000 0.000) 5.863 4.446 ( -6.099 0.000 0.000) 6.099 4.559 ( -2.932 0.000 0.000) 2.932 4.735 ( 0.029 0.000 0.000) 0.029 4.853 ( -1.027 0.000 0.000) 1.027 4.990 ( 0.904 0.000 0.000) 0.904 5.013 ( 5.011 0.000 0.000) 5.011 5.148 ( 1.460 0.000 0.000) 1.460 5.264 ( -1.220 0.000 0.000) 1.220 5.298 ( 2.547 0.000 0.000) 2.547 5.427 ( -8.123 0.000 0.000) 8.123 5.670 ( 4.973 0.000 0.000) 4.973 5.768 ( 5.626 0.000 0.000) 5.626 5.995 ( 2.920 0.000 0.000) 2.920 6.118 ( 2.158 0.000 0.000) 2.158 6.162 ( 1.228 0.000 0.000) 1.228 6.181 ( 2.697 0.000 0.000) 2.697 6.474 ( 1.277 0.000 0.000) 1.277 6.505 ( 0.077 0.000 0.000) 0.077 6.797 ( -5.670 0.000 0.000) 5.670 7.353 ( 0.624 0.000 0.000) 0.624 7.598 ( 1.090 0.000 0.000) 1.090 7.855 ( -5.612 0.000 0.000) 5.612 7.958 ( 1.316 0.000 0.000) 1.316 8.072 ( -3.668 0.000 0.000) 3.668 8.187 ( -1.999 0.000 0.000) 1.999 8.303 ( 0.675 0.000 0.000) 0.675 8.568 ( 3.556 0.000 0.000) 3.556 8.774 ( -9.356 0.000 0.000) 9.356 8.898 ( -9.562 0.000 0.000) 9.562 9.191 ( 3.360 0.000 0.000) 3.360 9.318 ( 5.234 0.000 0.000) 5.234 9.598 ( 0.503 0.000 0.000) 0.503 9.695 ( -6.344 0.000 0.000) 6.344 9.788 ( 0.135 0.000 0.000) 0.135 9.867 ( 0.816 0.000 0.000) 0.816 10.164 ( -4.615 0.000 0.000) 4.615 10.249 ( 2.978 0.000 0.000) 2.978 10.414 ( 6.531 0.000 0.000) 6.531 10.679 ( 2.472 0.000 0.000) 2.472 10.812 ( 12.176 0.000 0.000) 12.176 10.958 ( 5.861 0.000 0.000) 5.861 11.679 ( 3.975 0.000 0.000) 3.975 11.885 ( 2.813 0.000 0.000) 2.813 12.161 ( 1.550 0.000 0.000) 1.550 12.450 ( 0.852 0.000 0.000) 0.852 12.917 ( -2.281 0.000 0.000) 2.281 12.954 ( -0.786 0.000 0.000) 0.786 13.146 ( 4.217 0.000 0.000) 4.217 13.717 ( -2.951 0.000 0.000) 2.951 14.160 ( -7.023 0.000 0.000) 7.023 14.322 ( 4.669 0.000 0.000) 4.669 14.515 ( -2.482 0.000 0.000) 2.482 14.701 ( 3.127 0.000 0.000) 3.127 14.871 ( -1.382 0.000 0.000) 1.382 15.198 ( -3.866 0.000 0.000) 3.866 15.395 ( -6.068 0.000 0.000) 6.068 15.504 ( 0.127 0.000 0.000) 0.127 15.890 ( -8.965 0.000 0.000) 8.965 16.285 ( 8.582 0.000 0.000) 8.582 16.585 ( 2.756 0.000 0.000) 2.756 16.860 ( -10.935 0.000 0.000) 10.935 17.010 ( -4.731 0.000 0.000) 4.731 17.302 ( 10.633 0.000 0.000) 10.633 17.494 ( 1.461 0.000 0.000) 1.461 17.775 ( 3.500 0.000 0.000) 3.500 17.876 ( -0.843 0.000 0.000) 0.843 18.087 ( -0.708 0.000 0.000) 0.708 18.199 ( -6.059 0.000 0.000) 6.059 18.748 ( 1.592 0.000 0.000) 1.592 18.750 ( 9.292 0.000 0.000) 9.292 18.883 ( 2.808 0.000 0.000) 2.808 19.314 ( 0.114 0.000 0.000) 0.114 19.451 ( 1.563 0.000 0.000) 1.563 19.548 ( -0.589 0.000 0.000) 0.589 19.824 ( 0.586 0.000 0.000) 0.586 19.857 ( -1.607 0.000 0.000) 1.607 20.320 ( 1.299 0.000 0.000) 1.299 20.649 ( -6.952 0.000 0.000) 6.952 20.723 ( 2.515 0.000 0.000) 2.515 20.867 ( 0.025 0.000 0.000) 0.025 21.118 ( 1.110 0.000 0.000) 1.110 21.426 ( -5.245 0.000 0.000) 5.245 21.817 ( -0.070 0.000 0.000) 0.070 21.953 ( -5.508 0.000 0.000) 5.508 22.209 ( 3.937 0.000 0.000) 3.937 22.266 ( 1.859 0.000 0.000) 1.859 22.975 ( -3.847 0.000 0.000) 3.847 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 26.803 0.000 0.000) 26.803 1.157 ( 28.137 0.000 0.000) 28.137 2.071 ( 45.808 0.000 0.000) 45.808 2.243 ( -1.164 0.000 0.000) 1.164 2.358 ( -2.716 0.000 0.000) 2.716 2.455 ( 9.419 0.000 0.000) 9.419 2.701 ( 1.666 0.000 0.000) 1.666 2.799 ( 3.599 0.000 0.000) 3.599 2.878 ( -2.916 0.000 0.000) 2.916 2.945 ( 4.113 0.000 0.000) 4.113 2.954 ( 6.095 0.000 0.000) 6.095 3.074 ( -2.375 0.000 0.000) 2.375 3.101 ( -1.375 0.000 0.000) 1.375 3.217 ( -1.102 0.000 0.000) 1.102 3.319 ( -2.102 0.000 0.000) 2.102 3.381 ( -4.234 0.000 0.000) 4.234 3.486 ( 3.650 0.000 0.000) 3.650 3.554 ( -8.369 0.000 0.000) 8.369 3.917 ( -7.532 0.000 0.000) 7.532 3.963 ( -5.239 0.000 0.000) 5.239 4.002 ( -4.829 0.000 0.000) 4.829 4.334 ( -4.081 0.000 0.000) 4.081 4.508 ( -1.768 0.000 0.000) 1.768 4.745 ( 0.781 0.000 0.000) 0.781 4.854 ( 0.659 0.000 0.000) 0.659 4.910 ( -4.864 0.000 0.000) 4.864 5.126 ( 6.116 0.000 0.000) 6.116 5.224 ( -0.053 0.000 0.000) 0.053 5.272 ( 4.938 0.000 0.000) 4.938 5.277 ( -6.574 0.000 0.000) 6.574 5.398 ( 6.534 0.000 0.000) 6.534 5.731 ( 1.405 0.000 0.000) 1.405 5.846 ( 2.067 0.000 0.000) 2.067 6.039 ( 1.399 0.000 0.000) 1.399 6.132 ( 0.352 0.000 0.000) 0.352 6.247 ( 7.285 0.000 0.000) 7.285 6.297 ( 7.340 0.000 0.000) 7.340 6.476 ( -2.172 0.000 0.000) 2.172 6.509 ( 0.506 0.000 0.000) 0.506 6.666 ( -6.408 0.000 0.000) 6.408 7.376 ( 1.720 0.000 0.000) 1.720 7.631 ( 2.350 0.000 0.000) 2.350 7.720 ( -7.373 0.000 0.000) 7.373 7.975 ( 0.043 0.000 0.000) 0.043 8.003 ( -3.469 0.000 0.000) 3.469 8.139 ( -2.869 0.000 0.000) 2.869 8.327 ( 1.865 0.000 0.000) 1.865 8.494 ( -8.895 0.000 0.000) 8.895 8.696 ( -11.055 0.000 0.000) 11.055 8.737 ( 2.752 0.000 0.000) 2.752 9.226 ( 0.289 0.000 0.000) 0.289 9.310 ( -4.384 0.000 0.000) 4.384 9.584 ( -4.112 0.000 0.000) 4.112 9.612 ( 0.072 0.000 0.000) 0.072 9.810 ( 0.967 0.000 0.000) 0.967 9.844 ( -3.032 0.000 0.000) 3.032 10.150 ( 3.801 0.000 0.000) 3.801 10.336 ( 5.425 0.000 0.000) 5.425 10.558 ( 7.811 0.000 0.000) 7.811 10.741 ( 3.611 0.000 0.000) 3.611 11.067 ( 12.678 0.000 0.000) 12.678 11.093 ( 7.399 0.000 0.000) 7.399 11.778 ( 5.763 0.000 0.000) 5.763 11.954 ( 3.855 0.000 0.000) 3.855 12.211 ( 3.642 0.000 0.000) 3.642 12.473 ( 1.590 0.000 0.000) 1.590 12.857 ( -3.663 0.000 0.000) 3.663 12.957 ( 1.788 0.000 0.000) 1.788 13.256 ( 6.668 0.000 0.000) 6.668 13.604 ( -9.239 0.000 0.000) 9.239 14.033 ( -3.704 0.000 0.000) 3.704 14.451 ( 7.588 0.000 0.000) 7.588 14.455 ( -3.370 0.000 0.000) 3.370 14.745 ( 0.873 0.000 0.000) 0.873 14.831 ( -2.581 0.000 0.000) 2.581 15.106 ( -5.280 0.000 0.000) 5.280 15.261 ( -6.440 0.000 0.000) 6.440 15.508 ( 0.287 0.000 0.000) 0.287 15.711 ( -9.749 0.000 0.000) 9.749 16.377 ( -2.380 0.000 0.000) 2.380 16.626 ( 0.460 0.000 0.000) 0.460 16.731 ( 1.864 0.000 0.000) 1.864 16.900 ( -5.831 0.000 0.000) 5.831 17.525 ( 0.950 0.000 0.000) 0.950 17.529 ( 12.689 0.000 0.000) 12.689 17.853 ( -1.506 0.000 0.000) 1.506 17.858 ( 4.732 0.000 0.000) 4.732 18.101 ( -3.421 0.000 0.000) 3.421 18.105 ( 3.286 0.000 0.000) 3.286 18.760 ( -0.984 0.000 0.000) 0.984 18.930 ( 8.304 0.000 0.000) 8.304 18.951 ( 3.766 0.000 0.000) 3.766 19.305 ( -1.032 0.000 0.000) 1.032 19.457 ( -1.224 0.000 0.000) 1.224 19.521 ( -2.318 0.000 0.000) 2.318 19.822 ( -0.259 0.000 0.000) 0.259 19.828 ( -1.044 0.000 0.000) 1.044 20.426 ( 9.197 0.000 0.000) 9.197 20.453 ( -12.948 0.000 0.000) 12.948 20.776 ( 2.824 0.000 0.000) 2.824 20.867 ( -0.006 0.000 0.000) 0.006 21.142 ( 1.342 0.000 0.000) 1.342 21.312 ( -5.859 0.000 0.000) 5.859 21.829 ( 1.588 0.000 0.000) 1.588 21.833 ( -6.906 0.000 0.000) 6.906 22.256 ( 0.572 0.000 0.000) 0.572 22.308 ( 2.239 0.000 0.000) 2.239 22.876 ( -5.899 0.000 0.000) 5.899 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 22.202 0.000 0.000) 22.202 1.682 ( 25.565 0.000 0.000) 25.565 2.152 ( -6.871 0.000 0.000) 6.871 2.349 ( 2.872 0.000 0.000) 2.872 2.621 ( 7.081 0.000 0.000) 7.081 2.690 ( -2.593 0.000 0.000) 2.593 2.707 ( 9.493 0.000 0.000) 9.493 2.810 ( -2.931 0.000 0.000) 2.931 2.851 ( 0.760 0.000 0.000) 0.760 2.965 ( -6.430 0.000 0.000) 6.430 2.971 ( -2.436 0.000 0.000) 2.436 3.056 ( -3.054 0.000 0.000) 3.054 3.142 ( -3.514 0.000 0.000) 3.514 3.184 ( 14.774 0.000 0.000) 14.774 3.295 ( 1.043 0.000 0.000) 1.043 3.319 ( -0.019 0.000 0.000) 0.019 3.425 ( -3.353 0.000 0.000) 3.353 3.592 ( 5.567 0.000 0.000) 5.567 3.783 ( -3.268 0.000 0.000) 3.268 3.893 ( -4.381 0.000 0.000) 4.381 3.913 ( 0.192 0.000 0.000) 0.192 4.297 ( -0.194 0.000 0.000) 0.194 4.495 ( -0.151 0.000 0.000) 0.151 4.751 ( -0.544 0.000 0.000) 0.544 4.797 ( -4.923 0.000 0.000) 4.923 4.902 ( 1.270 0.000 0.000) 1.270 5.163 ( -2.088 0.000 0.000) 2.088 5.202 ( -0.732 0.000 0.000) 0.732 5.271 ( 5.964 0.000 0.000) 5.964 5.366 ( 3.692 0.000 0.000) 3.692 5.512 ( 4.687 0.000 0.000) 4.687 5.742 ( 0.342 0.000 0.000) 0.342 5.849 ( -1.550 0.000 0.000) 1.550 6.053 ( -0.390 0.000 0.000) 0.390 6.147 ( 1.144 0.000 0.000) 1.144 6.347 ( -5.509 0.000 0.000) 5.509 6.411 ( 3.662 0.000 0.000) 3.662 6.421 ( 5.616 0.000 0.000) 5.616 6.545 ( 3.397 0.000 0.000) 3.397 6.592 ( -1.867 0.000 0.000) 1.867 7.416 ( 2.114 0.000 0.000) 2.114 7.594 ( -5.271 0.000 0.000) 5.271 7.692 ( 3.904 0.000 0.000) 3.904 7.924 ( -4.815 0.000 0.000) 4.815 7.955 ( -1.883 0.000 0.000) 1.883 8.093 ( -1.340 0.000 0.000) 1.340 8.323 ( -8.296 0.000 0.000) 8.296 8.377 ( 3.315 0.000 0.000) 3.315 8.480 ( -10.648 0.000 0.000) 10.648 8.763 ( -0.748 0.000 0.000) 0.748 9.204 ( -2.277 0.000 0.000) 2.277 9.216 ( -4.367 0.000 0.000) 4.367 9.563 ( 1.998 0.000 0.000) 1.998 9.591 ( -1.844 0.000 0.000) 1.844 9.764 ( -4.796 0.000 0.000) 4.796 9.822 ( 0.449 0.000 0.000) 0.449 10.266 ( 6.685 0.000 0.000) 6.685 10.434 ( 4.080 0.000 0.000) 4.080 10.701 ( 6.524 0.000 0.000) 6.524 10.809 ( 3.125 0.000 0.000) 3.125 11.226 ( 5.991 0.000 0.000) 5.991 11.268 ( 7.545 0.000 0.000) 7.545 11.887 ( 5.125 0.000 0.000) 5.125 12.018 ( 2.341 0.000 0.000) 2.341 12.302 ( 5.501 0.000 0.000) 5.501 12.515 ( 2.591 0.000 0.000) 2.591 12.785 ( -3.322 0.000 0.000) 3.322 13.034 ( 5.556 0.000 0.000) 5.556 13.383 ( -11.732 0.000 0.000) 11.732 13.385 ( 6.002 0.000 0.000) 6.002 14.041 ( 4.034 0.000 0.000) 4.034 14.395 ( -2.721 0.000 0.000) 2.721 14.588 ( 6.018 0.000 0.000) 6.018 14.721 ( -3.235 0.000 0.000) 3.235 14.776 ( -3.096 0.000 0.000) 3.096 15.000 ( -5.369 0.000 0.000) 5.369 15.186 ( -1.034 0.000 0.000) 1.034 15.508 ( -10.936 0.000 0.000) 10.936 15.522 ( 1.526 0.000 0.000) 1.526 16.198 ( -12.556 0.000 0.000) 12.556 16.682 ( 3.972 0.000 0.000) 3.972 16.805 ( -3.616 0.000 0.000) 3.616 16.848 ( 7.981 0.000 0.000) 7.981 17.496 ( -4.377 0.000 0.000) 4.377 17.780 ( 12.250 0.000 0.000) 12.250 17.846 ( 1.507 0.000 0.000) 1.507 17.949 ( 4.458 0.000 0.000) 4.458 18.081 ( 1.845 0.000 0.000) 1.845 18.200 ( 5.338 0.000 0.000) 5.338 18.693 ( -5.937 0.000 0.000) 5.937 19.012 ( 1.993 0.000 0.000) 1.993 19.047 ( 3.314 0.000 0.000) 3.314 19.290 ( 0.294 0.000 0.000) 0.294 19.422 ( -1.389 0.000 0.000) 1.389 19.468 ( -2.584 0.000 0.000) 2.584 19.821 ( 0.122 0.000 0.000) 0.122 19.836 ( 1.596 0.000 0.000) 1.596 20.168 ( -15.499 0.000 0.000) 15.499 20.629 ( 10.654 0.000 0.000) 10.654 20.829 ( 2.522 0.000 0.000) 2.522 20.868 ( 0.172 0.000 0.000) 0.172 21.174 ( 2.159 0.000 0.000) 2.159 21.206 ( -5.101 0.000 0.000) 5.101 21.683 ( -8.466 0.000 0.000) 8.466 21.884 ( 3.950 0.000 0.000) 3.950 22.231 ( -2.894 0.000 0.000) 2.894 22.352 ( 2.377 0.000 0.000) 2.377 22.755 ( -6.421 0.000 0.000) 6.421 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 11.976 0.000 0.000) 11.976 2.038 ( -3.660 0.000 0.000) 3.660 2.141 ( 21.306 0.000 0.000) 21.306 2.436 ( 5.350 0.000 0.000) 5.350 2.606 ( -5.024 0.000 0.000) 5.024 2.661 ( -5.303 0.000 0.000) 5.303 2.707 ( -6.651 0.000 0.000) 6.651 2.728 ( 1.339 0.000 0.000) 1.339 2.755 ( -4.675 0.000 0.000) 4.675 2.860 ( -8.790 0.000 0.000) 8.790 2.909 ( -3.411 0.000 0.000) 3.411 3.022 ( -6.292 0.000 0.000) 6.292 3.041 ( 4.715 0.000 0.000) 4.715 3.236 ( -2.722 0.000 0.000) 2.722 3.339 ( 1.099 0.000 0.000) 1.099 3.429 ( -0.727 0.000 0.000) 0.727 3.436 ( 3.359 0.000 0.000) 3.359 3.630 ( -4.505 0.000 0.000) 4.505 3.810 ( 7.848 0.000 0.000) 7.848 3.945 ( 1.936 0.000 0.000) 1.936 4.095 ( 23.911 0.000 0.000) 23.911 4.314 ( 1.946 0.000 0.000) 1.946 4.466 ( -3.469 0.000 0.000) 3.469 4.700 ( -4.723 0.000 0.000) 4.723 4.723 ( -1.807 0.000 0.000) 1.807 4.871 ( -5.945 0.000 0.000) 5.945 5.160 ( 1.492 0.000 0.000) 1.492 5.203 ( 0.299 0.000 0.000) 0.299 5.379 ( 4.303 0.000 0.000) 4.303 5.410 ( 1.089 0.000 0.000) 1.089 5.596 ( 4.752 0.000 0.000) 4.752 5.768 ( 2.731 0.000 0.000) 2.731 5.791 ( -4.218 0.000 0.000) 4.218 5.991 ( -6.191 0.000 0.000) 6.191 6.171 ( 1.267 0.000 0.000) 1.267 6.238 ( -3.363 0.000 0.000) 3.363 6.464 ( 2.543 0.000 0.000) 2.543 6.540 ( 4.142 0.000 0.000) 4.142 6.561 ( -1.070 0.000 0.000) 1.070 6.605 ( 1.820 0.000 0.000) 1.820 7.450 ( 1.316 0.000 0.000) 1.316 7.517 ( -2.871 0.000 0.000) 2.871 7.767 ( 2.940 0.000 0.000) 2.940 7.833 ( -3.710 0.000 0.000) 3.710 7.933 ( 0.945 0.000 0.000) 0.945 8.088 ( -0.071 0.000 0.000) 0.071 8.178 ( -5.790 0.000 0.000) 5.790 8.293 ( -7.857 0.000 0.000) 7.857 8.464 ( 5.299 0.000 0.000) 5.299 8.704 ( -5.100 0.000 0.000) 5.100 9.153 ( -2.116 0.000 0.000) 2.116 9.158 ( -2.068 0.000 0.000) 2.068 9.567 ( -0.076 0.000 0.000) 0.076 9.641 ( 5.226 0.000 0.000) 5.226 9.670 ( -4.498 0.000 0.000) 4.498 9.813 ( -1.839 0.000 0.000) 1.839 10.384 ( 5.182 0.000 0.000) 5.182 10.482 ( 0.711 0.000 0.000) 0.711 10.804 ( 3.986 0.000 0.000) 3.986 10.854 ( 1.302 0.000 0.000) 1.302 11.321 ( 3.686 0.000 0.000) 3.686 11.360 ( 2.239 0.000 0.000) 2.239 11.970 ( 3.392 0.000 0.000) 3.392 12.039 ( -0.071 0.000 0.000) 0.071 12.411 ( 5.386 0.000 0.000) 5.386 12.550 ( -0.140 0.000 0.000) 0.140 12.762 ( 2.211 0.000 0.000) 2.211 13.046 ( -7.645 0.000 0.000) 7.645 13.292 ( 5.314 0.000 0.000) 5.314 13.463 ( 1.343 0.000 0.000) 1.343 14.162 ( 7.492 0.000 0.000) 7.492 14.348 ( -2.230 0.000 0.000) 2.230 14.641 ( -2.529 0.000 0.000) 2.529 14.698 ( 4.342 0.000 0.000) 4.342 14.703 ( -4.392 0.000 0.000) 4.392 14.903 ( -4.784 0.000 0.000) 4.784 15.192 ( 0.704 0.000 0.000) 0.704 15.310 ( -8.402 0.000 0.000) 8.402 15.587 ( 5.554 0.000 0.000) 5.554 15.952 ( -12.108 0.000 0.000) 12.108 16.741 ( 1.768 0.000 0.000) 1.768 16.762 ( -0.973 0.000 0.000) 0.973 17.017 ( 9.155 0.000 0.000) 9.155 17.368 ( -8.102 0.000 0.000) 8.102 17.902 ( 3.460 0.000 0.000) 3.460 17.949 ( 3.720 0.000 0.000) 3.720 18.040 ( 6.073 0.000 0.000) 6.073 18.195 ( 9.354 0.000 0.000) 9.354 18.259 ( -0.442 0.000 0.000) 0.442 18.548 ( -8.211 0.000 0.000) 8.211 19.022 ( -0.378 0.000 0.000) 0.378 19.059 ( -1.475 0.000 0.000) 1.475 19.347 ( 5.661 0.000 0.000) 5.661 19.423 ( 1.576 0.000 0.000) 1.576 19.437 ( -0.719 0.000 0.000) 0.719 19.780 ( -8.315 0.000 0.000) 8.315 19.869 ( 1.369 0.000 0.000) 1.369 19.916 ( -6.263 0.000 0.000) 6.263 20.819 ( 8.434 0.000 0.000) 8.434 20.869 ( 1.835 0.000 0.000) 1.835 20.873 ( 0.281 0.000 0.000) 0.281 21.105 ( -5.556 0.000 0.000) 5.556 21.236 ( 4.434 0.000 0.000) 4.434 21.511 ( -8.931 0.000 0.000) 8.931 21.975 ( 5.118 0.000 0.000) 5.118 22.158 ( -4.236 0.000 0.000) 4.236 22.409 ( 3.773 0.000 0.000) 3.773 22.628 ( -6.632 0.000 0.000) 6.632 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.452 0.000 0.000) 0.452 2.020 ( 0.452 0.000 0.000) 0.452 2.468 ( -8.323 0.000 0.000) 8.323 2.468 ( 8.323 0.000 0.000) 8.323 2.564 ( -2.880 0.000 0.000) 2.880 2.564 ( 2.880 0.000 0.000) 2.880 2.686 ( -3.392 0.000 0.000) 3.392 2.686 ( 3.392 0.000 0.000) 3.392 2.704 ( -0.046 0.000 0.000) 0.046 2.704 ( 0.046 0.000 0.000) 0.046 2.915 ( -4.217 0.000 0.000) 4.217 2.915 ( 4.217 0.000 0.000) 4.217 3.156 ( -5.503 0.000 0.000) 5.503 3.156 ( 5.503 0.000 0.000) 5.503 3.378 ( -2.898 0.000 0.000) 2.898 3.378 ( 2.898 0.000 0.000) 2.898 3.518 ( -5.152 0.000 0.000) 5.152 3.518 ( 5.152 0.000 0.000) 5.152 3.940 ( -3.481 0.000 0.000) 3.481 3.940 ( 3.481 0.000 0.000) 3.481 4.375 ( -4.761 0.000 0.000) 4.761 4.375 ( 4.761 0.000 0.000) 4.761 4.544 ( -16.899 0.000 0.000) 16.899 4.544 ( 16.899 0.000 0.000) 16.899 4.721 ( -3.554 0.000 0.000) 3.554 4.721 ( 3.554 0.000 0.000) 3.554 5.194 ( -1.377 0.000 0.000) 1.377 5.194 ( 1.377 0.000 0.000) 1.377 5.423 ( -0.226 0.000 0.000) 0.226 5.423 ( 0.226 0.000 0.000) 0.226 5.697 ( -5.219 0.000 0.000) 5.219 5.697 ( 5.219 0.000 0.000) 5.219 5.856 ( -6.373 0.000 0.000) 6.373 5.856 ( 6.373 0.000 0.000) 6.373 6.198 ( -1.513 0.000 0.000) 1.513 6.198 ( 1.513 0.000 0.000) 1.513 6.515 ( -2.521 0.000 0.000) 2.521 6.515 ( 2.521 0.000 0.000) 2.521 6.606 ( -1.603 0.000 0.000) 1.603 6.606 ( 1.603 0.000 0.000) 1.603 7.474 ( -1.548 0.000 0.000) 1.548 7.474 ( 1.548 0.000 0.000) 1.548 7.793 ( -0.766 0.000 0.000) 0.766 7.793 ( 0.766 0.000 0.000) 0.766 8.011 ( -5.972 0.000 0.000) 5.972 8.011 ( 5.972 0.000 0.000) 5.972 8.177 ( -4.015 0.000 0.000) 4.015 8.177 ( 4.015 0.000 0.000) 4.015 8.583 ( -6.683 0.000 0.000) 6.683 8.583 ( 6.683 0.000 0.000) 6.683 9.134 ( -0.194 0.000 0.000) 0.194 9.134 ( 0.194 0.000 0.000) 0.194 9.595 ( -2.838 0.000 0.000) 2.838 9.595 ( 2.838 0.000 0.000) 2.838 9.746 ( -4.822 0.000 0.000) 4.822 9.746 ( 4.822 0.000 0.000) 4.822 10.462 ( -2.674 0.000 0.000) 2.674 10.462 ( 2.674 0.000 0.000) 2.674 10.855 ( -1.267 0.000 0.000) 1.267 10.855 ( 1.267 0.000 0.000) 1.267 11.368 ( -1.152 0.000 0.000) 1.152 11.368 ( 1.152 0.000 0.000) 1.152 12.020 ( -1.786 0.000 0.000) 1.786 12.020 ( 1.786 0.000 0.000) 1.786 12.503 ( -3.939 0.000 0.000) 3.939 12.503 ( 3.939 0.000 0.000) 3.939 12.873 ( -8.234 0.000 0.000) 8.234 12.873 ( 8.234 0.000 0.000) 8.234 13.423 ( -5.402 0.000 0.000) 5.402 13.423 ( 5.402 0.000 0.000) 5.402 14.289 ( -4.639 0.000 0.000) 4.639 14.289 ( 4.639 0.000 0.000) 4.639 14.630 ( -2.107 0.000 0.000) 2.107 14.630 ( 2.107 0.000 0.000) 2.107 14.799 ( -5.744 0.000 0.000) 5.744 14.799 ( 5.744 0.000 0.000) 5.744 15.210 ( -2.051 0.000 0.000) 2.051 15.210 ( 2.051 0.000 0.000) 2.051 15.738 ( -9.694 0.000 0.000) 9.694 15.738 ( 9.694 0.000 0.000) 9.694 16.755 ( -0.113 0.000 0.000) 0.113 16.755 ( 0.113 0.000 0.000) 0.113 17.197 ( -9.212 0.000 0.000) 9.212 17.197 ( 9.212 0.000 0.000) 9.212 17.957 ( -1.776 0.000 0.000) 1.776 17.957 ( 1.776 0.000 0.000) 1.776 18.177 ( -6.900 0.000 0.000) 6.900 18.177 ( 6.900 0.000 0.000) 6.900 18.384 ( -9.072 0.000 0.000) 9.072 18.384 ( 9.072 0.000 0.000) 9.072 19.026 ( -1.149 0.000 0.000) 1.149 19.026 ( 1.149 0.000 0.000) 1.149 19.422 ( -1.258 0.000 0.000) 1.258 19.422 ( 1.258 0.000 0.000) 1.258 19.550 ( -11.467 0.000 0.000) 11.467 19.550 ( 11.467 0.000 0.000) 11.467 19.884 ( -0.348 0.000 0.000) 0.348 19.884 ( 0.348 0.000 0.000) 0.348 20.876 ( -0.194 0.000 0.000) 0.194 20.876 ( 0.194 0.000 0.000) 0.194 20.983 ( -7.107 0.000 0.000) 7.107 20.983 ( 7.107 0.000 0.000) 7.107 21.350 ( -7.257 0.000 0.000) 7.257 21.350 ( 7.257 0.000 0.000) 7.257 22.072 ( -4.677 0.000 0.000) 4.677 22.072 ( 4.677 0.000 0.000) 4.677 22.504 ( -5.868 0.000 0.000) 5.868 22.504 ( 5.868 0.000 0.000) 5.868 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 27.663 0.000) 27.663 0.574 ( 0.000 29.953 0.000) 29.953 1.006 ( 0.000 52.241 0.000) 52.241 2.119 ( 0.000 -11.213 0.000) 11.213 2.260 ( 0.000 5.952 0.000) 5.952 2.432 ( 0.000 -10.677 0.000) 10.677 2.495 ( 0.000 1.485 0.000) 1.485 2.709 ( 0.000 -1.410 0.000) 1.410 2.753 ( 0.000 2.550 0.000) 2.550 2.859 ( 0.000 -0.367 0.000) 0.367 2.931 ( 0.000 -1.008 0.000) 1.008 3.106 ( 0.000 -2.645 0.000) 2.645 3.117 ( 0.000 1.035 0.000) 1.035 3.341 ( 0.000 7.296 0.000) 7.296 3.359 ( 0.000 -2.482 0.000) 2.482 3.382 ( 0.000 1.940 0.000) 1.940 3.481 ( 0.000 0.047 0.000) 0.047 3.752 ( 0.000 -0.256 0.000) 0.256 3.936 ( 0.000 -9.417 0.000) 9.417 3.987 ( 0.000 -2.676 0.000) 2.676 4.196 ( 0.000 0.138 0.000) 0.138 4.372 ( 0.000 -11.160 0.000) 11.160 4.597 ( 0.000 -3.912 0.000) 3.912 4.730 ( 0.000 -0.938 0.000) 0.938 4.881 ( 0.000 -1.546 0.000) 1.546 4.957 ( 0.000 7.072 0.000) 7.072 4.985 ( 0.000 1.949 0.000) 1.949 5.327 ( 0.000 2.384 0.000) 2.384 5.369 ( 0.000 8.073 0.000) 8.073 5.530 ( 0.000 -2.035 0.000) 2.035 5.543 ( 0.000 -0.278 0.000) 0.278 5.646 ( 0.000 1.913 0.000) 1.913 5.807 ( 0.000 8.518 0.000) 8.518 5.871 ( 0.000 -7.544 0.000) 7.544 6.039 ( 0.000 -1.215 0.000) 1.215 6.149 ( 0.000 -0.535 0.000) 0.535 6.194 ( 0.000 2.658 0.000) 2.658 6.402 ( 0.000 -3.047 0.000) 3.047 6.425 ( 0.000 -3.314 0.000) 3.314 6.593 ( 0.000 -3.357 0.000) 3.357 7.393 ( 0.000 4.742 0.000) 4.742 7.595 ( 0.000 0.567 0.000) 0.567 7.871 ( 0.000 -2.792 0.000) 2.792 7.979 ( 0.000 2.628 0.000) 2.628 8.114 ( 0.000 -0.680 0.000) 0.680 8.250 ( 0.000 3.366 0.000) 3.366 8.274 ( 0.000 -1.670 0.000) 1.670 8.524 ( 0.000 1.935 0.000) 1.935 8.761 ( 0.000 -11.058 0.000) 11.058 9.082 ( 0.000 -4.109 0.000) 4.109 9.149 ( 0.000 5.836 0.000) 5.836 9.213 ( 0.000 0.038 0.000) 0.038 9.620 ( 0.000 -0.164 0.000) 0.164 9.767 ( 0.000 -1.697 0.000) 1.697 9.798 ( 0.000 -0.201 0.000) 0.201 9.824 ( 0.000 -2.081 0.000) 2.081 10.176 ( 0.000 -2.932 0.000) 2.932 10.241 ( 0.000 -0.889 0.000) 0.889 10.357 ( 0.000 1.653 0.000) 1.653 10.357 ( 0.000 0.768 0.000) 0.768 10.959 ( 0.000 5.882 0.000) 5.882 11.029 ( 0.000 4.036 0.000) 4.036 11.370 ( 0.000 -5.312 0.000) 5.312 11.624 ( 0.000 -2.555 0.000) 2.555 12.152 ( 0.000 1.082 0.000) 1.082 12.425 ( 0.000 -1.829 0.000) 1.829 12.922 ( 0.000 0.333 0.000) 0.333 13.058 ( 0.000 -2.871 0.000) 2.871 13.238 ( 0.000 6.422 0.000) 6.422 13.717 ( 0.000 -1.933 0.000) 1.933 14.275 ( 0.000 5.118 0.000) 5.118 14.299 ( 0.000 0.640 0.000) 0.640 14.552 ( 0.000 -4.495 0.000) 4.495 14.829 ( 0.000 -4.756 0.000) 4.756 15.055 ( 0.000 4.854 0.000) 4.854 15.270 ( 0.000 3.035 0.000) 3.035 15.330 ( 0.000 -0.552 0.000) 0.552 15.492 ( 0.000 -1.117 0.000) 1.117 16.066 ( 0.000 3.446 0.000) 3.446 16.330 ( 0.000 1.005 0.000) 1.005 16.582 ( 0.000 -1.495 0.000) 1.495 16.685 ( 0.000 -3.834 0.000) 3.834 16.979 ( 0.000 -5.963 0.000) 5.963 17.134 ( 0.000 -1.436 0.000) 1.436 17.409 ( 0.000 7.046 0.000) 7.046 17.513 ( 0.000 0.979 0.000) 0.979 17.867 ( 0.000 -1.839 0.000) 1.839 18.125 ( 0.000 -10.502 0.000) 10.502 18.210 ( 0.000 3.395 0.000) 3.395 18.680 ( 0.000 -0.799 0.000) 0.799 18.778 ( 0.000 5.130 0.000) 5.130 18.884 ( 0.000 4.985 0.000) 4.985 19.363 ( 0.000 -0.823 0.000) 0.823 19.448 ( 0.000 1.831 0.000) 1.831 19.519 ( 0.000 -3.267 0.000) 3.267 19.580 ( 0.000 -0.417 0.000) 0.417 19.884 ( 0.000 1.580 0.000) 1.580 20.290 ( 0.000 -3.502 0.000) 3.502 20.624 ( 0.000 0.415 0.000) 0.415 20.848 ( 0.000 10.153 0.000) 10.153 21.052 ( 0.000 -5.185 0.000) 5.185 21.313 ( 0.000 0.336 0.000) 0.336 21.560 ( 0.000 1.143 0.000) 1.143 21.688 ( 0.000 -0.856 0.000) 0.856 21.840 ( 0.000 2.033 0.000) 2.033 22.117 ( 0.000 -2.764 0.000) 2.764 22.500 ( 0.000 2.243 0.000) 2.243 22.820 ( 0.000 -3.247 0.000) 3.247 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 19.369 17.731 0.000) 26.259 0.796 ( 20.704 19.437 0.000) 28.398 1.467 ( 36.987 33.126 0.000) 49.652 2.141 ( 2.101 -9.764 0.000) 9.988 2.320 ( 4.471 1.381 0.000) 4.679 2.459 ( 0.792 4.560 0.000) 4.628 2.526 ( 4.970 -9.654 0.000) 10.858 2.736 ( 1.141 1.658 0.000) 2.012 2.788 ( 4.599 -1.246 0.000) 4.765 2.893 ( 2.696 -0.765 0.000) 2.802 2.922 ( -0.301 -0.619 0.000) 0.688 3.075 ( -1.875 -2.409 0.000) 3.053 3.117 ( -0.337 0.170 0.000) 0.378 3.285 ( -3.031 2.724 0.000) 4.075 3.376 ( -0.670 2.637 0.000) 2.721 3.414 ( 2.023 -0.387 0.000) 2.060 3.475 ( -0.134 2.238 0.000) 2.242 3.703 ( -4.688 -0.474 0.000) 4.712 3.927 ( -1.316 -7.692 0.000) 7.804 3.993 ( -0.955 -4.761 0.000) 4.856 4.100 ( -7.849 -1.011 0.000) 7.914 4.362 ( -0.755 -6.489 0.000) 6.533 4.553 ( -4.677 -2.368 0.000) 5.243 4.703 ( -1.038 -1.746 0.000) 2.031 4.874 ( 0.174 1.018 0.000) 1.033 4.985 ( 3.585 -0.204 0.000) 3.591 5.084 ( 5.267 3.835 0.000) 6.515 5.264 ( -9.415 6.044 0.000) 11.188 5.345 ( -3.448 10.111 0.000) 10.683 5.390 ( 1.216 6.972 0.000) 7.078 5.452 ( -5.919 2.199 0.000) 6.314 5.677 ( 5.322 1.529 0.000) 5.538 5.802 ( 1.475 1.314 0.000) 1.975 5.954 ( 6.065 -2.161 0.000) 6.438 6.109 ( 3.381 -2.225 0.000) 4.047 6.171 ( -0.856 2.612 0.000) 2.748 6.193 ( 1.744 -0.213 0.000) 1.757 6.424 ( 0.827 -4.531 0.000) 4.606 6.478 ( 1.738 -3.739 0.000) 4.124 6.635 ( 0.625 -10.830 0.000) 10.848 7.387 ( -0.406 3.548 0.000) 3.571 7.612 ( 1.473 1.103 0.000) 1.840 7.831 ( -3.888 -1.591 0.000) 4.201 7.972 ( -0.486 1.340 0.000) 1.425 8.099 ( -1.470 1.225 0.000) 1.913 8.205 ( -3.446 2.673 0.000) 4.361 8.284 ( 1.032 -1.666 0.000) 1.959 8.582 ( 2.623 1.610 0.000) 3.078 8.653 ( -7.076 -9.385 0.000) 11.754 8.960 ( -10.676 3.407 0.000) 11.207 9.095 ( -0.312 -6.595 0.000) 6.603 9.294 ( 1.521 -2.905 0.000) 3.279 9.538 ( -0.758 -0.675 0.000) 1.015 9.742 ( -0.790 -2.618 0.000) 2.734 9.819 ( -0.576 3.986 0.000) 4.027 9.893 ( 1.911 1.847 0.000) 2.657 10.194 ( -1.411 0.704 0.000) 1.577 10.229 ( 1.639 0.865 0.000) 1.853 10.425 ( 6.228 -0.857 0.000) 6.287 10.517 ( 10.262 -7.276 0.000) 12.580 10.996 ( 3.702 9.842 0.000) 10.515 11.019 ( 5.663 5.933 0.000) 8.202 11.614 ( 9.706 -9.217 0.000) 13.385 11.706 ( 9.705 -7.200 0.000) 12.084 12.163 ( 1.226 0.683 0.000) 1.404 12.422 ( 0.155 -2.329 0.000) 2.334 12.922 ( -0.662 0.802 0.000) 1.039 13.023 ( -3.315 0.489 0.000) 3.351 13.222 ( 1.623 8.460 0.000) 8.614 13.721 ( -0.915 -0.458 0.000) 1.023 14.170 ( -10.149 1.017 0.000) 10.200 14.266 ( 0.499 -2.922 0.000) 2.964 14.539 ( -1.747 -0.030 0.000) 1.747 14.755 ( -1.088 1.111 0.000) 1.555 14.962 ( -3.548 8.538 0.000) 9.246 15.215 ( -4.259 1.712 0.000) 4.590 15.365 ( -2.564 -2.094 0.000) 3.310 15.476 ( -0.874 -2.052 0.000) 2.230 15.969 ( -8.994 6.259 0.000) 10.957 16.321 ( 4.794 2.855 0.000) 5.580 16.571 ( 2.803 -1.789 0.000) 3.325 16.743 ( -5.841 -8.388 0.000) 10.221 16.980 ( -1.768 -3.542 0.000) 3.958 17.237 ( 6.328 -5.973 0.000) 8.702 17.533 ( 2.843 1.395 0.000) 3.167 17.600 ( 12.635 -2.805 0.000) 12.943 17.880 ( 1.304 -1.567 0.000) 2.038 18.117 ( -1.812 -3.349 0.000) 3.808 18.231 ( 0.835 4.739 0.000) 4.812 18.745 ( 6.055 -3.283 0.000) 6.888 18.776 ( -0.163 2.919 0.000) 2.924 18.909 ( 2.189 3.761 0.000) 4.351 19.312 ( -2.037 0.030 0.000) 2.037 19.427 ( -0.115 -1.075 0.000) 1.082 19.522 ( -0.871 -2.875 0.000) 3.004 19.664 ( 3.831 -7.831 0.000) 8.718 19.892 ( 0.973 3.677 0.000) 3.803 20.294 ( 1.410 -2.050 0.000) 2.488 20.596 ( -3.330 -0.590 0.000) 3.382 20.842 ( -0.410 9.211 0.000) 9.220 21.008 ( -4.778 -0.936 0.000) 4.869 21.162 ( -4.245 7.408 0.000) 8.538 21.456 ( -6.052 2.809 0.000) 6.672 21.770 ( 0.670 -5.743 0.000) 5.782 21.892 ( 1.346 -0.919 0.000) 1.630 22.121 ( 1.605 -3.596 0.000) 3.938 22.433 ( -1.937 7.902 0.000) 8.136 22.883 ( 0.622 -6.737 0.000) 6.765 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 25.519 6.623 0.000) 26.364 1.241 ( 23.566 11.138 0.000) 26.065 2.152 ( 15.407 -1.351 0.000) 15.466 2.228 ( 16.859 4.972 0.000) 17.577 2.346 ( 0.225 1.144 0.000) 1.166 2.541 ( 9.386 5.541 0.000) 10.900 2.625 ( 3.424 -8.464 0.000) 9.130 2.749 ( 1.245 1.588 0.000) 2.018 2.867 ( -2.013 -1.683 0.000) 2.624 2.921 ( 6.211 -2.317 0.000) 6.629 2.987 ( 2.692 1.214 0.000) 2.953 3.044 ( 0.659 -3.172 0.000) 3.240 3.119 ( 0.811 2.275 0.000) 2.416 3.217 ( -3.894 -0.007 0.000) 3.894 3.357 ( -1.252 3.939 0.000) 4.133 3.391 ( -3.979 0.591 0.000) 4.023 3.521 ( 4.550 3.777 0.000) 5.914 3.577 ( -8.073 0.773 0.000) 8.110 3.868 ( -5.161 -4.478 0.000) 6.833 3.916 ( -5.807 -3.734 0.000) 6.904 3.974 ( -4.147 -3.115 0.000) 5.187 4.352 ( -0.830 2.364 0.000) 2.506 4.453 ( -3.591 -5.956 0.000) 6.955 4.702 ( 0.740 -2.409 0.000) 2.520 4.881 ( -0.034 -0.357 0.000) 0.358 4.999 ( -4.997 7.069 0.000) 8.657 5.119 ( 4.671 1.190 0.000) 4.820 5.213 ( 0.623 -0.107 0.000) 0.633 5.320 ( -3.136 5.674 0.000) 6.483 5.364 ( 0.427 6.435 0.000) 6.449 5.453 ( 4.215 4.723 0.000) 6.331 5.756 ( 2.534 3.070 0.000) 3.981 5.840 ( 1.640 -0.550 0.000) 1.730 6.039 ( 1.928 -0.041 0.000) 1.928 6.147 ( -0.824 1.351 0.000) 1.582 6.210 ( 7.712 -3.377 0.000) 8.419 6.278 ( 6.153 -2.442 0.000) 6.620 6.411 ( -2.719 -5.442 0.000) 6.084 6.492 ( 0.074 -2.857 0.000) 2.858 6.601 ( -2.481 -5.861 0.000) 6.364 7.388 ( 0.695 1.667 0.000) 1.806 7.645 ( 1.694 0.797 0.000) 1.872 7.738 ( -4.823 1.993 0.000) 5.218 7.957 ( -1.334 -0.403 0.000) 1.393 8.065 ( -2.039 3.602 0.000) 4.139 8.131 ( -4.223 0.346 0.000) 4.238 8.315 ( 2.002 -1.451 0.000) 2.473 8.453 ( -8.698 -3.872 0.000) 9.521 8.639 ( -4.229 -2.972 0.000) 5.169 8.789 ( -4.271 2.728 0.000) 5.068 9.082 ( -0.834 -10.430 0.000) 10.464 9.253 ( -4.455 -6.322 0.000) 7.734 9.555 ( 1.550 0.156 0.000) 1.557 9.705 ( -3.086 3.395 0.000) 4.588 9.811 ( 0.013 1.777 0.000) 1.777 9.909 ( -0.917 4.942 0.000) 5.026 10.178 ( 2.542 2.498 0.000) 3.564 10.328 ( 5.753 -0.569 0.000) 5.781 10.549 ( 6.823 -1.368 0.000) 6.959 10.673 ( 6.126 -5.733 0.000) 8.390 11.142 ( 7.833 5.550 0.000) 9.600 11.162 ( 9.569 7.737 0.000) 12.305 11.750 ( 6.373 -3.070 0.000) 7.074 11.890 ( 7.455 -5.852 0.000) 9.477 12.207 ( 3.525 0.050 0.000) 3.526 12.439 ( 1.709 -3.142 0.000) 3.577 12.875 ( -3.752 2.089 0.000) 4.295 12.993 ( 0.880 1.985 0.000) 2.171 13.303 ( 5.633 5.536 0.000) 7.898 13.647 ( -7.446 3.843 0.000) 8.379 13.989 ( -5.913 -4.097 0.000) 7.194 14.300 ( 1.469 -9.554 0.000) 9.666 14.536 ( 2.217 3.364 0.000) 4.029 14.770 ( 0.817 0.951 0.000) 1.253 14.891 ( -4.020 6.017 0.000) 7.236 15.117 ( -5.360 0.978 0.000) 5.448 15.266 ( -5.804 0.643 0.000) 5.839 15.463 ( -0.791 -3.621 0.000) 3.706 15.791 ( -9.217 7.087 0.000) 11.626 16.358 ( -4.845 -2.383 0.000) 5.399 16.624 ( 0.172 -0.313 0.000) 0.358 16.670 ( 4.552 -4.775 0.000) 6.597 16.911 ( -4.013 0.944 0.000) 4.123 17.353 ( 5.089 -10.331 0.000) 11.517 17.631 ( 7.319 3.036 0.000) 7.924 17.796 ( 8.160 -1.047 0.000) 8.227 17.912 ( 1.493 1.000 0.000) 1.797 18.050 ( -3.882 0.961 0.000) 4.000 18.251 ( 1.901 8.453 0.000) 8.665 18.761 ( -1.920 -0.683 0.000) 2.038 18.875 ( 6.416 -4.873 0.000) 8.057 18.956 ( 2.386 0.129 0.000) 2.390 19.301 ( 0.038 -1.571 0.000) 1.572 19.397 ( -2.691 -2.170 0.000) 3.457 19.519 ( 0.445 -1.989 0.000) 2.038 19.695 ( 0.251 -9.694 0.000) 9.697 19.904 ( -0.186 6.894 0.000) 6.896 20.379 ( 6.743 -2.370 0.000) 7.147 20.481 ( -7.960 1.731 0.000) 8.146 20.837 ( -0.179 5.206 0.000) 5.209 20.936 ( -1.774 2.963 0.000) 3.454 21.142 ( 0.213 2.119 0.000) 2.130 21.336 ( -5.771 1.973 0.000) 6.099 21.740 ( -4.106 -6.546 0.000) 7.727 21.883 ( 0.171 2.846 0.000) 2.851 22.167 ( 2.158 -4.821 0.000) 5.282 22.420 ( -0.374 6.856 0.000) 6.866 22.835 ( -4.488 -3.952 0.000) 5.980 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 21.084 6.932 0.000) 22.195 1.695 ( 23.802 2.130 0.000) 23.897 2.172 ( -4.702 1.174 0.000) 4.846 2.307 ( 3.295 -3.722 0.000) 4.971 2.529 ( 3.623 -7.529 0.000) 8.355 2.643 ( 0.326 -2.064 0.000) 2.089 2.761 ( 4.646 -2.322 0.000) 5.194 2.782 ( -4.112 -0.024 0.000) 4.112 2.868 ( 5.992 3.735 0.000) 7.061 2.923 ( -6.668 0.085 0.000) 6.668 2.994 ( -0.605 -0.462 0.000) 0.761 3.088 ( -1.705 1.145 0.000) 2.053 3.141 ( -4.449 0.011 0.000) 4.449 3.258 ( 10.260 2.435 0.000) 10.545 3.310 ( 1.360 3.037 0.000) 3.327 3.328 ( -1.329 3.366 0.000) 3.619 3.437 ( -2.286 1.697 0.000) 2.848 3.635 ( 5.912 3.283 0.000) 6.762 3.747 ( -4.814 -3.250 0.000) 5.808 3.866 ( 0.566 -3.692 0.000) 3.735 3.907 ( -1.204 0.875 0.000) 1.488 4.317 ( -1.394 2.650 0.000) 2.994 4.452 ( 1.673 -4.977 0.000) 5.250 4.726 ( 1.360 -1.187 0.000) 1.805 4.855 ( -3.193 -1.099 0.000) 3.377 4.901 ( -4.391 5.454 0.000) 7.002 5.154 ( -0.581 -1.043 0.000) 1.194 5.264 ( -1.372 2.461 0.000) 2.817 5.284 ( 5.598 4.581 0.000) 7.233 5.405 ( 2.255 3.108 0.000) 3.840 5.523 ( 2.354 1.217 0.000) 2.650 5.784 ( 0.897 4.413 0.000) 4.504 5.856 ( 0.107 1.143 0.000) 1.147 6.047 ( -1.216 -1.107 0.000) 1.645 6.147 ( 0.806 0.183 0.000) 0.826 6.324 ( -4.818 -2.061 0.000) 5.241 6.361 ( 6.176 -3.340 0.000) 7.022 6.405 ( 6.271 -3.785 0.000) 7.325 6.503 ( 1.638 -3.548 0.000) 3.908 6.568 ( -1.015 -2.715 0.000) 2.898 7.413 ( 1.697 0.587 0.000) 1.795 7.625 ( -3.633 2.537 0.000) 4.432 7.719 ( 3.086 2.484 0.000) 3.962 7.917 ( -2.788 -0.154 0.000) 2.792 8.002 ( -4.823 4.136 0.000) 6.354 8.060 ( -2.095 -3.120 0.000) 3.758 8.283 ( -6.859 -4.226 0.000) 8.056 8.379 ( 2.111 0.053 0.000) 2.112 8.465 ( -9.667 -0.831 0.000) 9.703 8.763 ( -1.422 0.041 0.000) 1.422 9.067 ( -0.744 -10.126 0.000) 10.153 9.165 ( -3.937 -6.466 0.000) 7.571 9.594 ( 2.684 2.732 0.000) 3.830 9.649 ( -2.180 5.059 0.000) 5.509 9.796 ( -2.417 2.220 0.000) 3.282 9.872 ( -1.624 4.958 0.000) 5.218 10.270 ( 5.659 0.361 0.000) 5.670 10.425 ( 3.872 -0.985 0.000) 3.995 10.680 ( 6.312 -2.046 0.000) 6.636 10.773 ( 4.182 -3.653 0.000) 5.553 11.273 ( 5.724 4.931 0.000) 7.556 11.332 ( 6.542 6.120 0.000) 8.958 11.865 ( 5.193 -2.322 0.000) 5.689 11.990 ( 2.976 -2.989 0.000) 4.218 12.301 ( 5.825 0.147 0.000) 5.827 12.490 ( 3.355 -2.477 0.000) 4.170 12.802 ( -3.341 2.133 0.000) 3.964 13.045 ( 3.369 0.141 0.000) 3.372 13.375 ( -2.245 3.028 0.000) 3.769 13.494 ( -2.343 7.741 0.000) 8.088 13.972 ( 3.228 -6.629 0.000) 7.374 14.300 ( -1.137 -8.680 0.000) 8.755 14.608 ( 4.103 1.532 0.000) 4.379 14.748 ( -3.459 2.174 0.000) 4.086 14.825 ( -2.019 4.572 0.000) 4.997 15.014 ( -5.364 1.219 0.000) 5.501 15.191 ( -1.343 0.650 0.000) 1.492 15.434 ( -2.767 -4.158 0.000) 4.995 15.621 ( -7.154 6.646 0.000) 9.765 16.162 ( -12.506 -3.696 0.000) 13.041 16.681 ( 3.997 -0.164 0.000) 4.000 16.760 ( 1.916 -3.484 0.000) 3.977 16.886 ( 3.575 3.247 0.000) 4.829 17.399 ( -0.863 -8.399 0.000) 8.443 17.807 ( 9.250 1.768 0.000) 9.417 17.910 ( -0.809 2.427 0.000) 2.558 17.930 ( 5.620 0.149 0.000) 5.622 18.033 ( 2.764 -0.523 0.000) 2.813 18.312 ( 3.934 8.485 0.000) 9.353 18.685 ( -5.700 -0.952 0.000) 5.779 18.975 ( 3.422 -6.659 0.000) 7.487 18.992 ( 1.227 -2.494 0.000) 2.779 19.305 ( 0.795 -1.971 0.000) 2.125 19.357 ( -0.888 0.153 0.000) 0.901 19.514 ( -1.328 1.295 0.000) 1.854 19.689 ( -1.164 -10.836 0.000) 10.898 19.903 ( 0.805 7.485 0.000) 7.529 20.277 ( -10.537 8.531 0.000) 13.558 20.551 ( 8.357 -6.408 0.000) 10.531 20.832 ( -0.311 -0.560 0.000) 0.640 20.934 ( 1.145 4.488 0.000) 4.632 21.147 ( 0.051 0.378 0.000) 0.381 21.246 ( -3.206 1.887 0.000) 3.721 21.617 ( -7.850 -6.263 0.000) 10.042 21.924 ( 3.691 3.670 0.000) 5.205 22.189 ( -0.047 -3.105 0.000) 3.105 22.409 ( -0.493 4.594 0.000) 4.620 22.731 ( -5.902 -2.445 0.000) 6.388 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 10.679 4.712 0.000) 11.672 2.082 ( -2.940 4.276 0.000) 5.189 2.138 ( 20.861 -0.315 0.000) 20.863 2.395 ( 4.706 -3.765 0.000) 6.026 2.542 ( -0.267 -5.237 0.000) 5.244 2.653 ( -2.238 -2.984 0.000) 3.730 2.693 ( -6.108 0.213 0.000) 6.111 2.712 ( -2.168 2.805 0.000) 3.545 2.839 ( -4.719 2.682 0.000) 5.428 2.856 ( -4.039 0.614 0.000) 4.085 2.948 ( -5.265 2.389 0.000) 5.782 3.019 ( -0.257 -0.708 0.000) 0.753 3.039 ( -4.507 1.982 0.000) 4.924 3.230 ( -4.538 -1.794 0.000) 4.880 3.330 ( 2.494 -0.119 0.000) 2.497 3.383 ( 2.694 -1.071 0.000) 2.899 3.521 ( 0.452 5.572 0.000) 5.590 3.614 ( -5.613 -1.939 0.000) 5.939 3.798 ( 6.628 -1.298 0.000) 6.754 3.899 ( 1.530 -4.535 0.000) 4.786 4.121 ( 21.728 1.918 0.000) 21.812 4.325 ( 2.518 2.289 0.000) 3.402 4.455 ( -2.153 -2.061 0.000) 2.981 4.735 ( -0.523 1.512 0.000) 1.600 4.756 ( -5.730 3.969 0.000) 6.970 4.827 ( -4.904 -2.180 0.000) 5.367 5.165 ( 1.799 -0.153 0.000) 1.806 5.239 ( -1.016 2.151 0.000) 2.379 5.359 ( 1.305 0.116 0.000) 1.310 5.434 ( -0.352 1.762 0.000) 1.796 5.574 ( 4.977 -1.401 0.000) 5.170 5.791 ( -1.474 0.939 0.000) 1.748 5.860 ( 1.338 6.765 0.000) 6.896 5.986 ( -4.388 0.209 0.000) 4.393 6.173 ( 1.733 0.545 0.000) 1.817 6.252 ( -2.452 1.535 0.000) 2.893 6.438 ( 2.633 -2.708 0.000) 3.776 6.499 ( 1.798 -5.935 0.000) 6.202 6.541 ( 1.858 -0.960 0.000) 2.092 6.568 ( 1.289 -3.501 0.000) 3.731 7.450 ( 2.125 1.027 0.000) 2.360 7.556 ( -3.390 3.788 0.000) 5.083 7.792 ( 3.170 2.184 0.000) 3.850 7.855 ( -3.156 1.835 0.000) 3.651 7.923 ( -1.328 -1.023 0.000) 1.676 8.043 ( -0.561 -4.300 0.000) 4.337 8.160 ( -4.912 -2.123 0.000) 5.351 8.269 ( -7.951 -2.683 0.000) 8.391 8.474 ( 5.270 1.528 0.000) 5.487 8.702 ( -4.764 0.094 0.000) 4.765 9.057 ( -0.106 -7.895 0.000) 7.896 9.104 ( -2.484 -5.999 0.000) 6.493 9.620 ( 0.112 5.570 0.000) 5.571 9.669 ( 3.234 2.355 0.000) 4.000 9.729 ( -2.741 5.111 0.000) 5.800 9.844 ( -2.091 2.974 0.000) 3.635 10.373 ( 4.744 -1.063 0.000) 4.861 10.469 ( 0.504 -1.523 0.000) 1.604 10.783 ( 4.135 -1.966 0.000) 4.578 10.832 ( 1.756 -2.430 0.000) 2.998 11.363 ( 3.533 4.557 0.000) 5.766 11.409 ( 1.692 4.929 0.000) 5.211 11.947 ( 3.253 -2.465 0.000) 4.082 12.014 ( -0.173 -2.708 0.000) 2.714 12.417 ( 5.719 0.741 0.000) 5.766 12.544 ( 1.023 -0.664 0.000) 1.220 12.772 ( 1.316 1.206 0.000) 1.785 13.021 ( -6.952 -2.523 0.000) 7.396 13.354 ( 4.788 6.270 0.000) 7.889 13.521 ( 0.605 5.824 0.000) 5.855 14.077 ( 6.696 -7.974 0.000) 10.413 14.265 ( -2.429 -8.031 0.000) 8.390 14.658 ( -0.173 0.147 0.000) 0.227 14.686 ( -1.049 2.957 0.000) 3.138 14.799 ( -0.669 5.789 0.000) 5.828 14.915 ( -4.509 1.135 0.000) 4.650 15.196 ( 1.008 0.595 0.000) 1.171 15.332 ( -6.596 1.708 0.000) 6.814 15.580 ( 3.210 -0.203 0.000) 3.216 15.920 ( -11.934 -3.353 0.000) 12.396 16.742 ( 1.971 0.102 0.000) 1.974 16.764 ( -0.049 0.106 0.000) 0.117 17.021 ( 8.425 0.605 0.000) 8.447 17.327 ( -5.962 -4.353 0.000) 7.382 17.875 ( 1.032 0.730 0.000) 1.264 17.936 ( 0.155 -2.811 0.000) 2.815 18.073 ( 8.888 -1.715 0.000) 9.052 18.125 ( 5.292 0.755 0.000) 5.346 18.379 ( 2.617 7.882 0.000) 8.306 18.560 ( -6.635 1.262 0.000) 6.754 18.991 ( -0.239 -4.722 0.000) 4.728 19.016 ( 0.035 -4.045 0.000) 4.045 19.348 ( 3.312 -4.336 0.000) 5.456 19.374 ( 3.132 2.578 0.000) 4.057 19.472 ( -2.684 2.053 0.000) 3.379 19.628 ( -5.533 -9.442 0.000) 10.944 19.940 ( 2.669 7.805 0.000) 8.249 20.099 ( -7.012 11.697 0.000) 13.638 20.694 ( 6.070 -8.530 0.000) 10.470 20.821 ( -0.996 -4.534 0.000) 4.642 20.972 ( 2.787 5.101 0.000) 5.812 21.117 ( -3.269 1.630 0.000) 3.652 21.236 ( 2.272 -0.211 0.000) 2.282 21.457 ( -8.173 -5.329 0.000) 9.757 22.011 ( 4.784 3.389 0.000) 5.863 22.163 ( -2.509 0.439 0.000) 2.547 22.421 ( 2.165 1.231 0.000) 2.490 22.611 ( -6.297 -1.712 0.000) 6.525 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.899 4.321 0.000) 4.413 2.064 ( 0.899 4.321 0.000) 4.413 2.449 ( -5.715 -2.074 0.000) 6.079 2.449 ( 5.715 -2.074 0.000) 6.079 2.541 ( -2.506 -1.283 0.000) 2.816 2.541 ( 2.506 -1.283 0.000) 2.816 2.663 ( -2.376 -0.616 0.000) 2.454 2.663 ( 2.376 -0.616 0.000) 2.454 2.786 ( -6.582 5.173 0.000) 8.371 2.786 ( 6.582 5.173 0.000) 8.371 2.918 ( -5.083 0.215 0.000) 5.087 2.918 ( 5.083 0.215 0.000) 5.087 3.122 ( -6.071 -1.943 0.000) 6.374 3.122 ( 6.071 -1.943 0.000) 6.374 3.395 ( -2.748 0.296 0.000) 2.764 3.395 ( 2.748 0.296 0.000) 2.764 3.524 ( -2.577 1.387 0.000) 2.926 3.524 ( 2.577 1.387 0.000) 2.926 3.895 ( -2.639 -4.299 0.000) 5.044 3.895 ( 2.639 -4.299 0.000) 5.044 4.374 ( -4.985 -0.925 0.000) 5.070 4.374 ( 4.985 -0.925 0.000) 5.070 4.556 ( -16.736 0.949 0.000) 16.763 4.556 ( 16.736 0.949 0.000) 16.763 4.741 ( -1.732 3.109 0.000) 3.559 4.741 ( 1.732 3.109 0.000) 3.559 5.211 ( -2.147 0.315 0.000) 2.170 5.211 ( 2.147 0.315 0.000) 2.170 5.391 ( -2.661 -1.050 0.000) 2.861 5.391 ( 2.661 -1.050 0.000) 2.861 5.704 ( -6.760 -0.560 0.000) 6.783 5.704 ( 6.760 -0.560 0.000) 6.783 5.909 ( -3.246 5.558 0.000) 6.437 5.909 ( 3.246 5.558 0.000) 6.437 6.211 ( -2.044 1.579 0.000) 2.582 6.211 ( 2.044 1.579 0.000) 2.582 6.483 ( -2.008 -3.820 0.000) 4.316 6.483 ( 2.008 -3.820 0.000) 4.316 6.577 ( -0.862 -2.659 0.000) 2.795 6.577 ( 0.862 -2.659 0.000) 2.795 7.496 ( -2.681 2.611 0.000) 3.743 7.496 ( 2.681 2.611 0.000) 3.743 7.815 ( -0.711 2.172 0.000) 2.285 7.815 ( 0.711 2.172 0.000) 2.285 7.980 ( -5.235 -3.346 0.000) 6.213 7.980 ( 5.235 -3.346 0.000) 6.213 8.152 ( -3.741 -2.622 0.000) 4.568 8.152 ( 3.741 -2.622 0.000) 4.568 8.590 ( -6.318 1.081 0.000) 6.410 8.590 ( 6.318 1.081 0.000) 6.410 9.067 ( -1.228 -6.306 0.000) 6.424 9.067 ( 1.228 -6.306 0.000) 6.424 9.645 ( -2.454 4.892 0.000) 5.473 9.645 ( 2.454 4.892 0.000) 5.473 9.779 ( -4.353 3.067 0.000) 5.325 9.779 ( 4.353 3.067 0.000) 5.325 10.447 ( -2.624 -1.610 0.000) 3.079 10.447 ( 2.624 -1.610 0.000) 3.079 10.837 ( -1.284 -1.915 0.000) 2.305 10.837 ( 1.284 -1.915 0.000) 2.305 11.410 ( -1.303 4.433 0.000) 4.620 11.410 ( 1.303 4.433 0.000) 4.620 11.994 ( -1.740 -2.730 0.000) 3.237 11.994 ( 1.740 -2.730 0.000) 3.237 12.512 ( -3.755 0.855 0.000) 3.851 12.512 ( 3.755 0.855 0.000) 3.851 12.865 ( -7.415 -0.771 0.000) 7.455 12.865 ( 7.415 -0.771 0.000) 7.455 13.474 ( -5.280 5.296 0.000) 7.478 13.474 ( 5.280 5.296 0.000) 7.478 14.197 ( -4.926 -8.550 0.000) 9.868 14.197 ( 4.926 -8.550 0.000) 9.868 14.660 ( -1.545 2.544 0.000) 2.976 14.660 ( 1.545 2.544 0.000) 2.976 14.833 ( -3.805 2.977 0.000) 4.831 14.833 ( 3.805 2.977 0.000) 4.831 15.232 ( -3.294 2.248 0.000) 3.988 15.232 ( 3.294 2.248 0.000) 3.988 15.710 ( -9.301 -2.818 0.000) 9.718 15.710 ( 9.301 -2.818 0.000) 9.718 16.763 ( -0.408 0.694 0.000) 0.805 16.763 ( 0.408 0.694 0.000) 0.805 17.186 ( -8.183 -1.382 0.000) 8.299 17.186 ( 8.183 -1.382 0.000) 8.299 17.910 ( -2.161 -2.687 0.000) 3.449 17.910 ( 2.161 -2.687 0.000) 3.449 18.181 ( -1.100 -1.039 0.000) 1.513 18.181 ( 1.100 -1.039 0.000) 1.513 18.442 ( -4.939 5.572 0.000) 7.446 18.442 ( 4.939 5.572 0.000) 7.446 18.998 ( -1.095 -3.671 0.000) 3.831 18.998 ( 1.095 -3.671 0.000) 3.831 19.411 ( -3.083 -1.115 0.000) 3.278 19.411 ( 3.083 -1.115 0.000) 3.278 19.491 ( -7.411 -3.045 0.000) 8.013 19.491 ( 7.411 -3.045 0.000) 8.013 20.001 ( -3.688 9.782 0.000) 10.454 20.001 ( 3.688 9.782 0.000) 10.454 20.783 ( -3.151 -7.555 0.000) 8.186 20.783 ( 3.151 -7.555 0.000) 8.186 21.041 ( -4.112 3.953 0.000) 5.704 21.041 ( 4.112 3.953 0.000) 5.704 21.317 ( -5.861 -3.224 0.000) 6.689 21.317 ( 5.861 -3.224 0.000) 6.689 22.098 ( -4.028 2.572 0.000) 4.779 22.098 ( 4.028 2.572 0.000) 4.779 22.496 ( -5.262 -0.832 0.000) 5.328 22.496 ( 5.262 -0.832 0.000) 5.328 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 25.086 0.000) 25.086 1.123 ( 0.000 28.331 0.000) 28.331 1.783 ( 0.000 -2.425 0.000) 2.425 1.992 ( 0.000 20.616 0.000) 20.616 2.110 ( 0.000 -10.619 0.000) 10.619 2.411 ( 0.000 9.380 0.000) 9.380 2.596 ( 0.000 6.012 0.000) 6.012 2.692 ( 0.000 0.056 0.000) 0.056 2.774 ( 0.000 -2.266 0.000) 2.266 2.870 ( 0.000 1.644 0.000) 1.644 2.904 ( 0.000 -1.875 0.000) 1.875 3.034 ( 0.000 -2.487 0.000) 2.487 3.089 ( 0.000 -5.229 0.000) 5.229 3.317 ( 0.000 -1.756 0.000) 1.756 3.409 ( 0.000 -1.271 0.000) 1.271 3.418 ( 0.000 -2.079 0.000) 2.079 3.577 ( 0.000 10.562 0.000) 10.562 3.615 ( 0.000 -11.572 0.000) 11.572 3.758 ( 0.000 -8.783 0.000) 8.783 3.991 ( 0.000 3.624 0.000) 3.624 4.086 ( 0.000 -16.660 0.000) 16.660 4.160 ( 0.000 -3.549 0.000) 3.549 4.594 ( 0.000 3.548 0.000) 3.548 4.706 ( 0.000 -1.636 0.000) 1.636 4.866 ( 0.000 0.866 0.000) 0.866 4.993 ( 0.000 -1.759 0.000) 1.759 5.153 ( 0.000 11.516 0.000) 11.516 5.381 ( 0.000 1.994 0.000) 1.994 5.498 ( 0.000 4.562 0.000) 4.562 5.522 ( 0.000 0.998 0.000) 0.998 5.525 ( 0.000 -1.353 0.000) 1.353 5.721 ( 0.000 -7.759 0.000) 7.759 5.724 ( 0.000 6.990 0.000) 6.990 5.949 ( 0.000 5.939 0.000) 5.939 5.996 ( 0.000 -3.733 0.000) 3.733 6.103 ( 0.000 -3.984 0.000) 3.984 6.271 ( 0.000 5.292 0.000) 5.292 6.335 ( 0.000 -3.371 0.000) 3.371 6.346 ( 0.000 -4.318 0.000) 4.318 6.507 ( 0.000 -5.559 0.000) 5.559 7.507 ( 0.000 6.168 0.000) 6.168 7.598 ( 0.000 -0.342 0.000) 0.342 7.847 ( 0.000 1.355 0.000) 1.355 8.040 ( 0.000 3.998 0.000) 3.998 8.071 ( 0.000 -4.392 0.000) 4.392 8.224 ( 0.000 -4.025 0.000) 4.025 8.324 ( 0.000 4.136 0.000) 4.136 8.504 ( 0.000 -6.389 0.000) 6.389 8.663 ( 0.000 4.029 0.000) 4.029 8.966 ( 0.000 -7.992 0.000) 7.992 9.208 ( 0.000 0.825 0.000) 0.825 9.211 ( 0.000 -0.250 0.000) 0.250 9.639 ( 0.000 2.229 0.000) 2.229 9.731 ( 0.000 -1.973 0.000) 1.973 9.783 ( 0.000 -1.684 0.000) 1.684 9.787 ( 0.000 -0.890 0.000) 0.890 10.149 ( 0.000 0.154 0.000) 0.154 10.214 ( 0.000 -1.934 0.000) 1.934 10.373 ( 0.000 0.783 0.000) 0.783 10.378 ( 0.000 0.694 0.000) 0.694 11.066 ( 0.000 5.009 0.000) 5.009 11.156 ( 0.000 9.179 0.000) 9.179 11.261 ( 0.000 -5.848 0.000) 5.848 11.522 ( 0.000 -8.057 0.000) 8.057 12.200 ( 0.000 3.944 0.000) 3.944 12.371 ( 0.000 -3.819 0.000) 3.819 12.936 ( 0.000 1.145 0.000) 1.145 13.008 ( 0.000 -2.496 0.000) 2.496 13.380 ( 0.000 8.301 0.000) 8.301 13.654 ( 0.000 -4.886 0.000) 4.886 14.299 ( 0.000 1.326 0.000) 1.326 14.425 ( 0.000 8.619 0.000) 8.619 14.450 ( 0.000 -5.824 0.000) 5.824 14.722 ( 0.000 -6.514 0.000) 6.514 15.154 ( 0.000 5.320 0.000) 5.320 15.305 ( 0.000 -2.230 0.000) 2.230 15.339 ( 0.000 4.020 0.000) 4.020 15.462 ( 0.000 -2.105 0.000) 2.105 16.157 ( 0.000 5.988 0.000) 5.988 16.339 ( 0.000 -0.781 0.000) 0.781 16.545 ( 0.000 -1.946 0.000) 1.946 16.604 ( 0.000 -4.267 0.000) 4.267 16.904 ( 0.000 -0.883 0.000) 0.883 17.067 ( 0.000 -5.647 0.000) 5.647 17.533 ( 0.000 5.329 0.000) 5.329 17.548 ( 0.000 2.505 0.000) 2.505 17.832 ( 0.000 -1.273 0.000) 1.273 17.949 ( 0.000 -7.626 0.000) 7.626 18.300 ( 0.000 6.025 0.000) 6.025 18.584 ( 0.000 -7.609 0.000) 7.609 18.897 ( 0.000 6.703 0.000) 6.703 18.989 ( 0.000 3.886 0.000) 3.886 19.353 ( 0.000 0.006 0.000) 0.006 19.441 ( 0.000 -4.494 0.000) 4.494 19.488 ( 0.000 2.231 0.000) 2.231 19.562 ( 0.000 -1.436 0.000) 1.436 19.951 ( 0.000 5.471 0.000) 5.471 20.199 ( 0.000 -6.037 0.000) 6.037 20.675 ( 0.000 4.746 0.000) 4.746 20.930 ( 0.000 -7.337 0.000) 7.337 21.047 ( 0.000 10.182 0.000) 10.182 21.296 ( 0.000 -2.545 0.000) 2.545 21.589 ( 0.000 1.933 0.000) 1.933 21.664 ( 0.000 -1.630 0.000) 1.630 21.894 ( 0.000 3.582 0.000) 3.582 22.050 ( 0.000 -4.143 0.000) 4.143 22.558 ( 0.000 3.827 0.000) 3.827 22.739 ( 0.000 -5.048 0.000) 5.048 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 9.546 22.337 0.000) 24.292 1.222 ( 10.886 24.606 0.000) 26.907 1.855 ( 5.770 -12.335 0.000) 13.618 2.086 ( 5.385 -8.176 0.000) 9.790 2.226 ( 14.549 20.299 0.000) 24.975 2.479 ( 4.382 5.803 0.000) 7.272 2.607 ( 2.234 7.978 0.000) 8.285 2.741 ( 4.520 0.158 0.000) 4.523 2.791 ( 0.734 -1.081 0.000) 1.306 2.867 ( 0.602 -1.242 0.000) 1.380 2.888 ( -1.066 -2.756 0.000) 2.955 3.024 ( -0.270 -1.317 0.000) 1.344 3.115 ( 2.124 -2.115 0.000) 2.998 3.288 ( -2.672 -0.923 0.000) 2.827 3.373 ( -1.412 -3.934 0.000) 4.180 3.445 ( 0.901 1.019 0.000) 1.360 3.564 ( -0.462 1.278 0.000) 1.359 3.633 ( 0.769 0.616 0.000) 0.985 3.770 ( 0.953 -8.843 0.000) 8.894 3.953 ( -3.556 1.228 0.000) 3.762 4.039 ( -7.231 -6.062 0.000) 9.436 4.143 ( 1.841 -12.945 0.000) 13.075 4.592 ( -1.531 5.302 0.000) 5.519 4.680 ( -1.691 -0.682 0.000) 1.824 4.874 ( 0.189 0.123 0.000) 0.226 4.989 ( 0.844 -1.573 0.000) 1.785 5.193 ( 2.882 7.972 0.000) 8.477 5.343 ( -5.356 2.603 0.000) 5.955 5.466 ( -3.637 1.339 0.000) 3.875 5.484 ( -0.813 1.586 0.000) 1.782 5.538 ( 0.584 7.741 0.000) 7.763 5.744 ( 4.557 5.682 0.000) 7.283 5.764 ( 4.125 -3.476 0.000) 5.394 5.963 ( 3.047 0.726 0.000) 3.132 6.052 ( 2.337 -2.704 0.000) 3.574 6.147 ( 2.175 -3.824 0.000) 4.399 6.258 ( -1.346 5.856 0.000) 6.008 6.331 ( 0.207 -4.639 0.000) 4.643 6.363 ( 1.235 -6.838 0.000) 6.948 6.489 ( -0.993 -5.832 0.000) 5.916 7.477 ( -2.108 5.429 0.000) 5.824 7.616 ( 1.044 -1.167 0.000) 1.566 7.831 ( -1.417 2.563 0.000) 2.928 7.999 ( -2.586 0.407 0.000) 2.618 8.093 ( 0.538 -0.632 0.000) 0.830 8.232 ( 0.620 -4.259 0.000) 4.304 8.288 ( -2.947 5.035 0.000) 5.834 8.483 ( -3.555 -7.615 0.000) 8.403 8.643 ( -0.490 5.144 0.000) 5.168 8.926 ( -5.034 -7.317 0.000) 8.882 9.053 ( -8.262 2.398 0.000) 8.602 9.211 ( -4.160 -5.325 0.000) 6.758 9.556 ( -1.773 2.140 0.000) 2.779 9.680 ( -0.339 -3.725 0.000) 3.740 9.879 ( 5.173 2.986 0.000) 5.973 9.922 ( 4.304 1.073 0.000) 4.436 10.192 ( 3.512 0.528 0.000) 3.551 10.272 ( 0.875 0.900 0.000) 1.255 10.361 ( 6.261 -2.751 0.000) 6.839 10.445 ( 4.159 -2.619 0.000) 4.914 11.139 ( 6.785 5.936 0.000) 9.015 11.160 ( 3.736 7.859 0.000) 8.701 11.451 ( 13.719 -6.039 0.000) 14.989 11.587 ( 6.588 -7.367 0.000) 9.883 12.202 ( 0.354 3.436 0.000) 3.454 12.363 ( -0.492 -3.904 0.000) 3.935 12.941 ( 0.217 1.239 0.000) 1.258 13.002 ( -0.501 -1.758 0.000) 1.828 13.400 ( 2.165 9.792 0.000) 10.029 13.683 ( 2.315 -3.848 0.000) 4.491 14.177 ( -11.747 -0.218 0.000) 11.749 14.222 ( -10.198 -2.117 0.000) 10.416 14.559 ( 3.422 3.044 0.000) 4.580 14.728 ( 1.253 -3.408 0.000) 3.631 15.106 ( -4.080 6.353 0.000) 7.550 15.242 ( -5.183 0.112 0.000) 5.184 15.347 ( -0.963 0.703 0.000) 1.192 15.435 ( -2.271 -2.331 0.000) 3.255 16.096 ( -6.297 7.214 0.000) 9.575 16.343 ( -0.069 -2.228 0.000) 2.229 16.525 ( 1.799 -1.238 0.000) 2.184 16.630 ( -1.096 -4.110 0.000) 4.254 16.925 ( 1.661 -0.763 0.000) 1.828 17.104 ( 2.225 -7.646 0.000) 7.963 17.557 ( 4.077 2.554 0.000) 4.811 17.627 ( 6.400 1.146 0.000) 6.502 17.866 ( 3.792 1.079 0.000) 3.942 18.021 ( 5.117 -5.542 0.000) 7.543 18.335 ( 3.056 6.069 0.000) 6.795 18.615 ( 3.116 -8.456 0.000) 9.012 18.873 ( -2.555 5.992 0.000) 6.514 18.976 ( -1.155 2.052 0.000) 2.355 19.315 ( -3.435 0.461 0.000) 3.465 19.413 ( -0.221 -2.700 0.000) 2.709 19.470 ( -2.492 -0.099 0.000) 2.494 19.569 ( -0.095 -3.539 0.000) 3.540 19.990 ( 3.525 6.421 0.000) 7.325 20.228 ( 2.950 -4.978 0.000) 5.787 20.641 ( -3.290 4.883 0.000) 5.888 20.899 ( -2.875 -6.589 0.000) 7.189 21.043 ( -0.562 9.463 0.000) 9.480 21.248 ( -3.229 0.791 0.000) 3.324 21.516 ( -6.366 3.252 0.000) 7.148 21.660 ( -1.218 -5.169 0.000) 5.311 21.917 ( 1.411 2.653 0.000) 3.005 22.052 ( 0.765 -3.882 0.000) 3.957 22.552 ( -0.334 5.414 0.000) 5.424 22.762 ( 0.957 -6.096 0.000) 6.171 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 16.576 14.181 0.000) 21.815 1.509 ( 16.848 15.880 0.000) 23.153 1.983 ( 7.278 -12.292 0.000) 14.285 2.167 ( 3.575 -14.362 0.000) 14.800 2.478 ( -2.550 4.583 0.000) 5.244 2.533 ( 9.921 7.065 0.000) 12.179 2.713 ( 3.273 5.656 0.000) 6.535 2.791 ( 4.647 3.203 0.000) 5.644 2.837 ( 0.579 0.590 0.000) 0.827 2.881 ( 5.170 -1.134 0.000) 5.293 2.949 ( 6.735 -3.696 0.000) 7.683 3.033 ( 0.140 2.254 0.000) 2.258 3.158 ( 1.408 -1.023 0.000) 1.740 3.239 ( -0.406 3.590 0.000) 3.613 3.359 ( -0.359 -3.300 0.000) 3.320 3.446 ( -0.925 3.894 0.000) 4.002 3.549 ( -2.245 -0.701 0.000) 2.352 3.636 ( 0.398 5.912 0.000) 5.925 3.768 ( -2.285 -5.943 0.000) 6.367 3.872 ( -6.213 -0.236 0.000) 6.218 3.902 ( -2.004 -3.784 0.000) 4.282 4.204 ( 3.866 -14.088 0.000) 14.609 4.511 ( -5.535 7.970 0.000) 9.704 4.671 ( 0.512 -1.207 0.000) 1.311 4.864 ( -1.207 0.165 0.000) 1.218 5.037 ( 3.450 -3.081 0.000) 4.625 5.196 ( -6.717 5.242 0.000) 8.521 5.244 ( 0.475 2.574 0.000) 2.617 5.400 ( -1.707 2.823 0.000) 3.299 5.511 ( 0.258 0.840 0.000) 0.879 5.535 ( 0.731 10.290 0.000) 10.316 5.839 ( 2.335 1.857 0.000) 2.983 5.862 ( 5.954 6.312 0.000) 8.677 6.018 ( 0.158 -2.767 0.000) 2.772 6.103 ( 4.319 -4.355 0.000) 6.133 6.183 ( 2.707 -4.523 0.000) 5.272 6.238 ( 0.763 2.621 0.000) 2.729 6.319 ( -0.649 -2.766 0.000) 2.841 6.396 ( 1.190 -6.668 0.000) 6.773 6.486 ( 0.384 -5.995 0.000) 6.007 7.450 ( -0.443 4.783 0.000) 4.804 7.630 ( 0.611 -2.689 0.000) 2.757 7.799 ( -1.733 4.392 0.000) 4.722 7.953 ( -2.236 -0.943 0.000) 2.427 8.076 ( -2.257 0.202 0.000) 2.266 8.210 ( -3.922 4.704 0.000) 6.124 8.244 ( -1.699 -4.778 0.000) 5.071 8.392 ( -3.720 -2.417 0.000) 4.436 8.617 ( -4.465 1.230 0.000) 4.632 8.800 ( -5.144 -3.240 0.000) 6.080 8.940 ( -3.604 -2.442 0.000) 4.354 9.109 ( -5.303 -7.957 0.000) 9.562 9.581 ( 3.003 2.359 0.000) 3.819 9.699 ( 1.699 -2.646 0.000) 3.144 9.890 ( -1.698 5.300 0.000) 5.565 9.984 ( 0.616 2.213 0.000) 2.298 10.231 ( 1.912 3.140 0.000) 3.676 10.326 ( 4.211 0.213 0.000) 4.217 10.501 ( 6.948 -3.143 0.000) 7.626 10.563 ( 7.104 -5.485 0.000) 8.975 11.270 ( 7.011 7.250 0.000) 10.085 11.312 ( 9.257 6.975 0.000) 11.591 11.675 ( 8.755 -3.959 0.000) 9.608 11.766 ( 10.097 -6.895 0.000) 12.227 12.228 ( 2.809 2.335 0.000) 3.652 12.369 ( 1.490 -4.169 0.000) 4.427 12.924 ( -2.225 2.751 0.000) 3.538 13.002 ( 0.806 -0.839 0.000) 1.164 13.458 ( 3.209 10.052 0.000) 10.552 13.712 ( -0.111 1.532 0.000) 1.536 13.912 ( -12.174 -2.690 0.000) 12.468 14.111 ( -1.829 -10.030 0.000) 10.196 14.607 ( 2.229 4.430 0.000) 4.959 14.759 ( 1.293 -2.134 0.000) 2.496 15.012 ( -5.303 5.927 0.000) 7.953 15.128 ( -5.826 -0.190 0.000) 5.829 15.288 ( -4.364 1.768 0.000) 4.709 15.394 ( -2.007 -3.543 0.000) 4.072 15.944 ( -8.838 8.827 0.000) 12.491 16.270 ( -8.121 -6.990 0.000) 10.715 16.599 ( 4.280 -1.257 0.000) 4.461 16.622 ( 2.362 -0.916 0.000) 2.534 16.940 ( 0.170 2.520 0.000) 2.526 17.164 ( 4.225 -9.250 0.000) 10.169 17.664 ( 6.525 1.487 0.000) 6.692 17.763 ( 6.272 -2.968 0.000) 6.939 17.966 ( 6.040 4.752 0.000) 7.685 18.079 ( 0.106 0.777 0.000) 0.784 18.398 ( 3.534 7.050 0.000) 7.886 18.682 ( 2.361 -8.051 0.000) 8.390 18.816 ( -2.299 0.489 0.000) 2.350 18.943 ( -2.111 -2.299 0.000) 3.122 19.272 ( -0.708 0.591 0.000) 0.922 19.415 ( -1.538 2.471 0.000) 2.911 19.438 ( 1.400 -5.609 0.000) 5.781 19.557 ( -0.505 -5.014 0.000) 5.039 20.050 ( 1.893 8.038 0.000) 8.258 20.310 ( 5.251 -5.135 0.000) 7.345 20.557 ( -5.111 6.229 0.000) 8.057 20.833 ( -3.549 -5.969 0.000) 6.944 21.029 ( -0.598 8.274 0.000) 8.296 21.207 ( -1.098 2.069 0.000) 2.342 21.380 ( -6.847 3.104 0.000) 7.518 21.600 ( -5.028 -7.816 0.000) 9.293 21.944 ( 1.943 3.542 0.000) 4.040 22.086 ( 2.354 -3.992 0.000) 4.634 22.539 ( -1.274 5.848 0.000) 5.985 22.746 ( -2.645 -5.259 0.000) 5.887 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 20.029 5.331 0.000) 20.726 1.829 ( 15.290 8.346 0.000) 17.419 2.125 ( 6.342 -6.025 0.000) 8.748 2.233 ( 3.425 -6.132 0.000) 7.024 2.423 ( -1.078 -0.503 0.000) 1.189 2.576 ( -2.035 -4.657 0.000) 5.082 2.766 ( 3.017 1.870 0.000) 3.549 2.787 ( -2.324 0.933 0.000) 2.504 2.926 ( 3.710 2.222 0.000) 4.324 2.956 ( -1.633 0.432 0.000) 1.689 2.983 ( -1.571 1.406 0.000) 2.108 3.066 ( 0.056 -1.161 0.000) 1.163 3.134 ( -2.062 -1.493 0.000) 2.546 3.224 ( -4.665 -3.785 0.000) 6.008 3.394 ( -1.126 4.635 0.000) 4.770 3.434 ( -1.131 5.360 0.000) 5.478 3.527 ( 7.800 6.611 0.000) 10.225 3.650 ( -2.536 -3.439 0.000) 4.273 3.702 ( -0.164 0.164 0.000) 0.232 3.798 ( -1.380 -2.263 0.000) 2.651 3.939 ( 6.048 2.832 0.000) 6.679 4.282 ( 3.561 -10.478 0.000) 11.066 4.433 ( -1.504 6.997 0.000) 7.157 4.689 ( 0.970 -4.296 0.000) 4.404 4.834 ( -1.412 2.745 0.000) 3.087 5.048 ( -6.985 7.434 0.000) 10.201 5.100 ( 1.833 -4.948 0.000) 5.276 5.246 ( -0.762 -2.358 0.000) 2.478 5.422 ( 3.412 5.800 0.000) 6.729 5.470 ( -2.370 3.945 0.000) 4.603 5.560 ( -0.130 3.571 0.000) 3.574 5.826 ( -3.039 -1.979 0.000) 3.627 5.952 ( 3.090 7.710 0.000) 8.306 6.024 ( 1.329 1.517 0.000) 2.016 6.143 ( 1.456 -1.789 0.000) 2.307 6.291 ( 4.590 -2.993 0.000) 5.479 6.298 ( 3.707 -3.927 0.000) 5.400 6.320 ( 2.343 -0.135 0.000) 2.347 6.413 ( 1.247 -6.251 0.000) 6.374 6.492 ( 0.159 -5.228 0.000) 5.231 7.462 ( 1.678 4.768 0.000) 5.055 7.650 ( 1.381 -1.180 0.000) 1.817 7.772 ( -0.778 3.419 0.000) 3.506 7.909 ( -2.268 -1.550 0.000) 2.747 8.013 ( -3.857 -0.387 0.000) 3.876 8.098 ( -7.313 5.795 0.000) 9.331 8.176 ( -4.377 -6.307 0.000) 7.677 8.340 ( -4.901 -4.617 0.000) 6.734 8.502 ( -2.921 5.118 0.000) 5.893 8.750 ( -1.421 -2.933 0.000) 3.259 8.900 ( -0.834 -5.277 0.000) 5.342 9.025 ( -3.277 -7.527 0.000) 8.210 9.649 ( 3.871 3.114 0.000) 4.968 9.723 ( 0.586 1.356 0.000) 1.477 9.859 ( -1.493 5.009 0.000) 5.227 9.955 ( -2.602 2.718 0.000) 3.763 10.286 ( 3.409 1.730 0.000) 3.823 10.395 ( 2.655 -2.318 0.000) 3.524 10.636 ( 6.503 -2.145 0.000) 6.847 10.688 ( 5.515 -4.698 0.000) 7.245 11.396 ( 5.575 7.408 0.000) 9.271 11.462 ( 5.553 6.477 0.000) 8.532 11.810 ( 5.237 -2.827 0.000) 5.951 11.908 ( 4.040 -5.546 0.000) 6.862 12.318 ( 6.087 1.778 0.000) 6.341 12.431 ( 4.669 -3.560 0.000) 5.872 12.865 ( -3.418 4.245 0.000) 5.450 13.018 ( -0.164 -2.825 0.000) 2.830 13.486 ( -0.845 8.001 0.000) 8.045 13.666 ( -1.560 10.316 0.000) 10.434 13.822 ( 1.906 -8.748 0.000) 8.953 14.104 ( -0.159 -11.639 0.000) 11.640 14.650 ( 1.982 3.011 0.000) 3.605 14.759 ( -1.426 -1.166 0.000) 1.842 14.927 ( -2.689 5.395 0.000) 6.028 15.030 ( -4.550 0.103 0.000) 4.552 15.216 ( -2.048 2.249 0.000) 3.042 15.353 ( -1.902 -4.347 0.000) 4.745 15.763 ( -9.385 8.233 0.000) 12.485 16.064 ( -11.954 -6.639 0.000) 13.674 16.674 ( 3.981 -0.513 0.000) 4.014 16.700 ( 3.918 -2.504 0.000) 4.650 16.967 ( 2.991 5.298 0.000) 6.084 17.232 ( 1.800 -8.660 0.000) 8.845 17.810 ( 8.505 -0.981 0.000) 8.562 17.849 ( 2.701 -3.660 0.000) 4.548 18.034 ( -3.447 6.504 0.000) 7.361 18.088 ( 5.602 4.232 0.000) 7.021 18.473 ( 3.673 7.896 0.000) 8.709 18.667 ( -3.011 -0.178 0.000) 3.017 18.808 ( 0.814 -9.750 0.000) 9.784 18.914 ( -0.519 -6.332 0.000) 6.354 19.274 ( 0.883 1.032 0.000) 1.359 19.398 ( 0.032 0.807 0.000) 0.808 19.478 ( 2.119 -3.658 0.000) 4.228 19.551 ( -0.807 -3.168 0.000) 3.269 20.072 ( 1.133 9.761 0.000) 9.826 20.408 ( 2.416 -5.315 0.000) 5.838 20.454 ( -3.369 6.647 0.000) 7.452 20.766 ( -3.312 -6.360 0.000) 7.171 21.029 ( 0.716 6.281 0.000) 6.322 21.192 ( -0.684 2.093 0.000) 2.202 21.268 ( -4.381 1.343 0.000) 4.582 21.475 ( -7.374 -8.168 0.000) 11.004 22.001 ( 3.852 4.162 0.000) 5.671 22.132 ( 2.262 -2.955 0.000) 3.721 22.499 ( -2.655 4.825 0.000) 5.507 22.669 ( -4.872 -3.970 0.000) 6.284 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 9.278 4.780 0.000) 10.437 2.134 ( 18.745 0.113 0.000) 18.745 2.172 ( -0.348 4.487 0.000) 4.501 2.317 ( 4.405 -4.241 0.000) 6.114 2.466 ( 4.204 -2.120 0.000) 4.709 2.567 ( 1.679 -5.171 0.000) 5.437 2.727 ( -6.158 2.551 0.000) 6.666 2.768 ( -2.584 1.981 0.000) 3.256 2.838 ( -1.638 0.402 0.000) 1.686 2.896 ( -11.098 0.287 0.000) 11.102 2.977 ( -1.367 2.079 0.000) 2.489 3.015 ( 0.507 0.220 0.000) 0.553 3.079 ( -5.499 1.059 0.000) 5.601 3.177 ( 1.902 -3.919 0.000) 4.356 3.340 ( -4.791 2.813 0.000) 5.556 3.408 ( 1.221 2.171 0.000) 2.491 3.567 ( -3.172 -1.270 0.000) 3.417 3.636 ( -0.520 5.161 0.000) 5.187 3.758 ( 3.856 -4.112 0.000) 5.637 3.793 ( 0.559 -4.753 0.000) 4.786 4.156 ( 13.445 2.241 0.000) 13.631 4.344 ( 3.278 -5.086 0.000) 6.051 4.442 ( 1.787 5.157 0.000) 5.458 4.683 ( -2.479 -6.088 0.000) 6.573 4.824 ( 0.386 6.201 0.000) 6.213 4.921 ( -5.414 7.159 0.000) 8.976 5.125 ( 0.837 -3.889 0.000) 3.978 5.212 ( -2.695 -4.365 0.000) 5.130 5.426 ( -0.538 5.541 0.000) 5.567 5.502 ( -1.185 5.663 0.000) 5.786 5.551 ( 3.999 -1.323 0.000) 4.212 5.756 ( -3.981 -4.646 0.000) 6.118 5.999 ( 1.925 5.324 0.000) 5.661 6.037 ( -0.074 6.094 0.000) 6.095 6.199 ( 3.757 2.271 0.000) 4.390 6.296 ( -0.809 2.824 0.000) 2.938 6.364 ( 2.001 -6.187 0.000) 6.502 6.376 ( 1.062 -3.730 0.000) 3.879 6.467 ( 3.400 -6.311 0.000) 7.168 6.501 ( 0.864 -4.269 0.000) 4.355 7.511 ( 3.162 5.440 0.000) 6.292 7.650 ( -2.259 5.669 0.000) 6.102 7.794 ( 3.683 -3.815 0.000) 5.303 7.867 ( -1.802 -0.353 0.000) 1.837 7.934 ( -4.902 1.951 0.000) 5.276 7.968 ( -4.210 -1.497 0.000) 4.468 8.098 ( -3.228 -3.927 0.000) 5.083 8.192 ( -7.845 -5.335 0.000) 9.487 8.537 ( 4.464 5.281 0.000) 6.915 8.712 ( -2.903 0.386 0.000) 2.929 8.902 ( 0.966 -7.163 0.000) 7.227 8.974 ( -2.238 -7.000 0.000) 7.349 9.721 ( 2.351 3.454 0.000) 4.178 9.738 ( 2.149 4.733 0.000) 5.198 9.822 ( -2.088 4.726 0.000) 5.167 9.901 ( -2.939 2.326 0.000) 3.748 10.354 ( 3.328 -0.553 0.000) 3.374 10.424 ( 0.297 -3.056 0.000) 3.070 10.741 ( 4.114 -2.086 0.000) 4.612 10.770 ( 2.743 -3.574 0.000) 4.506 11.481 ( 3.162 7.220 0.000) 7.882 11.525 ( 1.212 6.426 0.000) 6.539 11.885 ( 2.672 -3.652 0.000) 4.525 11.939 ( -0.089 -5.009 0.000) 5.010 12.441 ( 5.984 1.807 0.000) 6.251 12.521 ( 3.516 -1.794 0.000) 3.947 12.813 ( -1.158 3.118 0.000) 3.326 12.959 ( -5.567 -3.839 0.000) 6.763 13.507 ( 4.220 9.478 0.000) 10.375 13.666 ( -0.568 9.203 0.000) 9.221 13.901 ( 5.397 -10.109 0.000) 11.460 14.080 ( -2.460 -11.032 0.000) 11.302 14.680 ( 1.178 1.934 0.000) 2.264 14.728 ( -1.040 0.870 0.000) 1.356 14.897 ( -1.341 4.189 0.000) 4.399 14.939 ( -4.347 1.155 0.000) 4.497 15.221 ( 2.078 2.197 0.000) 3.024 15.336 ( -0.273 -1.845 0.000) 1.865 15.611 ( -4.562 4.046 0.000) 6.098 15.833 ( -11.277 -5.660 0.000) 12.618 16.743 ( 2.800 0.027 0.000) 2.801 16.760 ( 2.162 -0.569 0.000) 2.236 17.049 ( 4.991 2.519 0.000) 5.591 17.222 ( -2.618 -6.134 0.000) 6.669 17.880 ( 1.131 -0.864 0.000) 1.423 17.965 ( -3.220 6.343 0.000) 7.114 17.986 ( 8.757 -4.727 0.000) 9.951 18.163 ( 1.301 -0.043 0.000) 1.302 18.527 ( 1.903 7.410 0.000) 7.650 18.606 ( -2.824 4.322 0.000) 5.163 18.835 ( 2.007 -10.090 0.000) 10.288 18.908 ( -0.645 -7.789 0.000) 7.815 19.316 ( 3.544 1.239 0.000) 3.754 19.418 ( 2.047 0.307 0.000) 2.069 19.499 ( -1.240 -3.075 0.000) 3.316 19.506 ( -3.004 1.078 0.000) 3.191 20.115 ( 3.405 10.363 0.000) 10.908 20.314 ( -6.290 10.909 0.000) 12.593 20.522 ( 4.921 -9.605 0.000) 10.792 20.700 ( -3.702 -8.133 0.000) 8.936 21.057 ( 2.101 4.416 0.000) 4.891 21.165 ( -2.440 2.852 0.000) 3.753 21.221 ( -0.304 -1.489 0.000) 1.520 21.336 ( -6.338 -6.716 0.000) 9.235 22.083 ( 4.253 3.871 0.000) 5.751 22.167 ( 0.928 -0.319 0.000) 0.981 22.455 ( -1.189 2.348 0.000) 2.632 22.567 ( -5.401 -2.930 0.000) 6.144 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -1.048 5.534 0.000) 5.632 2.163 ( 1.048 5.534 0.000) 5.632 2.394 ( -1.981 -3.547 0.000) 4.063 2.394 ( 1.981 -3.547 0.000) 4.063 2.534 ( -4.797 0.527 0.000) 4.826 2.534 ( 4.797 0.527 0.000) 4.826 2.651 ( -4.912 -0.912 0.000) 4.996 2.651 ( 4.912 -0.912 0.000) 4.996 2.860 ( -6.358 2.631 0.000) 6.881 2.860 ( 6.358 2.631 0.000) 6.881 2.915 ( -6.956 -0.636 0.000) 6.985 2.915 ( 6.956 -0.636 0.000) 6.985 3.132 ( -5.947 2.911 0.000) 6.621 3.132 ( 5.947 2.911 0.000) 6.621 3.359 ( -4.955 -3.506 0.000) 6.070 3.359 ( 4.955 -3.506 0.000) 6.070 3.583 ( -3.459 4.317 0.000) 5.532 3.583 ( 3.459 4.317 0.000) 5.532 3.800 ( -0.494 -5.373 0.000) 5.396 3.800 ( 0.494 -5.373 0.000) 5.396 4.335 ( -4.819 -2.518 0.000) 5.437 4.335 ( 4.819 -2.518 0.000) 5.437 4.566 ( -9.117 0.095 0.000) 9.117 4.566 ( 9.117 0.095 0.000) 9.117 4.847 ( -2.249 7.262 0.000) 7.603 4.847 ( 2.249 7.262 0.000) 7.603 5.156 ( -2.539 -5.231 0.000) 5.815 5.156 ( 2.539 -5.231 0.000) 5.815 5.446 ( -2.466 5.917 0.000) 6.410 5.446 ( 2.466 5.917 0.000) 6.410 5.663 ( -5.641 -3.639 0.000) 6.713 5.663 ( 5.641 -3.639 0.000) 6.713 6.027 ( -0.939 5.730 0.000) 5.806 6.027 ( 0.939 5.730 0.000) 5.806 6.265 ( -2.598 4.070 0.000) 4.828 6.265 ( 2.598 4.070 0.000) 4.828 6.381 ( -0.222 -5.699 0.000) 5.703 6.381 ( 0.222 -5.699 0.000) 5.703 6.508 ( -0.674 -4.852 0.000) 4.898 6.508 ( 0.674 -4.852 0.000) 4.898 7.582 ( -4.001 6.431 0.000) 7.574 7.582 ( 4.001 6.431 0.000) 7.574 7.856 ( -0.990 -1.025 0.000) 1.424 7.856 ( 0.990 -1.025 0.000) 1.424 7.895 ( -4.333 -2.537 0.000) 5.021 7.895 ( 4.334 -2.537 0.000) 5.021 8.085 ( -2.552 -4.192 0.000) 4.908 8.085 ( 2.552 -4.192 0.000) 4.908 8.634 ( -4.885 3.510 0.000) 6.015 8.634 ( 4.885 3.510 0.000) 6.015 8.932 ( -1.990 -7.202 0.000) 7.472 8.932 ( 1.990 -7.202 0.000) 7.472 9.752 ( -1.593 5.623 0.000) 5.844 9.752 ( 1.593 5.623 0.000) 5.844 9.836 ( -3.512 2.350 0.000) 4.226 9.836 ( 3.512 2.350 0.000) 4.226 10.407 ( -1.959 -2.234 0.000) 2.971 10.407 ( 1.959 -2.234 0.000) 2.971 10.790 ( -0.764 -2.639 0.000) 2.747 10.790 ( 0.764 -2.639 0.000) 2.747 11.523 ( -1.197 6.748 0.000) 6.853 11.523 ( 1.197 6.748 0.000) 6.853 11.923 ( -1.401 -4.549 0.000) 4.760 11.923 ( 1.401 -4.549 0.000) 4.760 12.530 ( -2.623 0.948 0.000) 2.789 12.530 ( 2.623 0.948 0.000) 2.789 12.848 ( -4.672 -0.865 0.000) 4.751 12.848 ( 4.672 -0.865 0.000) 4.751 13.610 ( -4.967 8.863 0.000) 10.160 13.610 ( 4.967 8.863 0.000) 10.160 14.007 ( -4.942 -10.965 0.000) 12.028 14.007 ( 4.942 -10.965 0.000) 12.028 14.707 ( -1.550 2.125 0.000) 2.630 14.707 ( 1.550 2.125 0.000) 2.630 14.884 ( -1.118 1.959 0.000) 2.255 14.884 ( 1.118 1.959 0.000) 2.255 15.288 ( -4.281 3.358 0.000) 5.441 15.288 ( 4.281 3.358 0.000) 5.441 15.645 ( -7.233 -3.636 0.000) 8.095 15.645 ( 7.233 -3.636 0.000) 8.095 16.777 ( -0.531 0.671 0.000) 0.856 16.777 ( 0.531 0.671 0.000) 0.856 17.146 ( -4.748 -2.398 0.000) 5.319 17.146 ( 4.748 -2.398 0.000) 5.319 17.910 ( -2.180 2.875 0.000) 3.608 17.910 ( 2.180 2.875 0.000) 3.608 18.126 ( -4.953 -4.482 0.000) 6.680 18.126 ( 4.953 -4.482 0.000) 6.680 18.561 ( -1.901 6.505 0.000) 6.777 18.561 ( 1.901 6.505 0.000) 6.777 18.879 ( -2.208 -8.081 0.000) 8.377 18.879 ( 2.208 -8.081 0.000) 8.377 19.406 ( -5.324 0.723 0.000) 5.373 19.406 ( 5.324 0.723 0.000) 5.373 19.470 ( -2.662 0.117 0.000) 2.665 19.470 ( 2.662 0.117 0.000) 2.665 20.200 ( -5.221 11.070 0.000) 12.240 20.200 ( 5.221 11.070 0.000) 12.240 20.617 ( -4.768 -9.942 0.000) 11.026 20.617 ( 4.768 -9.942 0.000) 11.026 21.108 ( -3.061 3.186 0.000) 4.418 21.108 ( 3.061 3.186 0.000) 4.418 21.246 ( -2.831 -3.913 0.000) 4.830 21.246 ( 2.831 -3.913 0.000) 4.830 22.152 ( -2.457 2.709 0.000) 3.657 22.152 ( 2.457 2.709 0.000) 3.657 22.476 ( -3.375 -1.116 0.000) 3.555 22.476 ( 3.375 -1.116 0.000) 3.555 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 -21.255 0.000) 21.255 1.462 ( 0.000 21.255 0.000) 21.255 1.632 ( 0.000 -25.692 0.000) 25.692 1.632 ( 0.000 25.692 0.000) 25.692 2.547 ( 0.000 -0.080 0.000) 0.080 2.547 ( 0.000 0.080 0.000) 0.080 2.712 ( 0.000 -1.021 0.000) 1.021 2.712 ( 0.000 1.021 0.000) 1.021 2.822 ( 0.000 -21.651 0.000) 21.651 2.822 ( 0.000 21.651 0.000) 21.651 2.879 ( 0.000 -3.905 0.000) 3.905 2.879 ( 0.000 3.905 0.000) 3.905 3.104 ( 0.000 -10.975 0.000) 10.975 3.104 ( 0.000 10.975 0.000) 10.975 3.372 ( 0.000 -1.701 0.000) 1.701 3.372 ( 0.000 1.701 0.000) 1.701 3.611 ( 0.000 -5.990 0.000) 5.990 3.611 ( 0.000 5.990 0.000) 5.990 3.807 ( 0.000 -13.070 0.000) 13.070 3.807 ( 0.000 13.070 0.000) 13.070 4.078 ( 0.000 -4.846 0.000) 4.846 4.078 ( 0.000 4.846 0.000) 4.846 4.664 ( 0.000 -3.002 0.000) 3.002 4.664 ( 0.000 3.002 0.000) 3.002 4.924 ( 0.000 -4.599 0.000) 4.599 4.924 ( 0.000 4.599 0.000) 4.599 5.336 ( 0.000 -6.906 0.000) 6.906 5.336 ( 0.000 6.906 0.000) 6.906 5.523 ( 0.000 -0.571 0.000) 0.571 5.523 ( 0.000 0.571 0.000) 0.571 5.592 ( 0.000 -5.795 0.000) 5.795 5.592 ( 0.000 5.795 0.000) 5.795 5.880 ( 0.000 -8.262 0.000) 8.262 5.880 ( 0.000 8.262 0.000) 8.262 6.032 ( 0.000 -3.482 0.000) 3.482 6.032 ( 0.000 3.482 0.000) 3.482 6.295 ( 0.000 -0.476 0.000) 0.476 6.295 ( 0.000 0.476 0.000) 0.476 6.392 ( 0.000 -6.455 0.000) 6.455 6.392 ( 0.000 6.455 0.000) 6.455 7.581 ( 0.000 -1.758 0.000) 1.758 7.581 ( 0.000 1.758 0.000) 1.758 7.945 ( 0.000 -7.953 0.000) 7.953 7.945 ( 0.000 7.953 0.000) 7.953 8.129 ( 0.000 -5.334 0.000) 5.334 8.129 ( 0.000 5.334 0.000) 5.334 8.400 ( 0.000 -4.249 0.000) 4.249 8.400 ( 0.000 4.249 0.000) 4.249 8.801 ( 0.000 -8.931 0.000) 8.931 8.801 ( 0.000 8.931 0.000) 8.931 9.208 ( 0.000 -0.133 0.000) 0.133 9.208 ( 0.000 0.133 0.000) 0.133 9.689 ( 0.000 -2.637 0.000) 2.637 9.689 ( 0.000 2.637 0.000) 2.637 9.772 ( 0.000 -0.386 0.000) 0.386 9.772 ( 0.000 0.386 0.000) 0.386 10.173 ( 0.000 -2.116 0.000) 2.116 10.173 ( 0.000 2.116 0.000) 2.116 10.383 ( 0.000 -0.183 0.000) 0.183 10.383 ( 0.000 0.183 0.000) 0.183 11.158 ( 0.000 -5.082 0.000) 5.082 11.158 ( 0.000 5.082 0.000) 5.082 11.344 ( 0.000 -10.275 0.000) 10.275 11.344 ( 0.000 10.275 0.000) 10.275 12.287 ( 0.000 -4.877 0.000) 4.877 12.287 ( 0.000 4.877 0.000) 4.877 12.965 ( 0.000 -1.972 0.000) 1.972 12.965 ( 0.000 1.972 0.000) 1.972 13.534 ( 0.000 -7.687 0.000) 7.687 13.534 ( 0.000 7.687 0.000) 7.687 14.351 ( 0.000 -4.252 0.000) 4.252 14.351 ( 0.000 4.252 0.000) 4.252 14.585 ( 0.000 -8.068 0.000) 8.068 14.585 ( 0.000 8.068 0.000) 8.068 15.245 ( 0.000 -4.157 0.000) 4.157 15.245 ( 0.000 4.157 0.000) 4.157 15.411 ( 0.000 -3.356 0.000) 3.356 15.411 ( 0.000 3.356 0.000) 3.356 16.275 ( 0.000 -5.777 0.000) 5.777 16.275 ( 0.000 5.777 0.000) 5.777 16.542 ( 0.000 -1.934 0.000) 1.934 16.542 ( 0.000 1.934 0.000) 1.934 16.953 ( 0.000 -5.343 0.000) 5.343 16.953 ( 0.000 5.343 0.000) 5.343 17.583 ( 0.000 -0.268 0.000) 0.268 17.583 ( 0.000 0.268 0.000) 0.268 17.846 ( 0.000 -3.172 0.000) 3.172 17.846 ( 0.000 3.172 0.000) 3.172 18.432 ( 0.000 -7.926 0.000) 7.926 18.432 ( 0.000 7.926 0.000) 7.926 18.997 ( 0.000 -3.036 0.000) 3.036 18.997 ( 0.000 3.036 0.000) 3.036 19.373 ( 0.000 -2.336 0.000) 2.336 19.373 ( 0.000 2.336 0.000) 2.336 19.529 ( 0.000 -2.039 0.000) 2.039 19.529 ( 0.000 2.039 0.000) 2.039 20.073 ( 0.000 -7.004 0.000) 7.004 20.073 ( 0.000 7.004 0.000) 7.004 20.790 ( 0.000 -7.189 0.000) 7.189 20.790 ( 0.000 7.189 0.000) 7.189 21.209 ( 0.000 -6.777 0.000) 6.777 21.209 ( 0.000 6.777 0.000) 6.777 21.628 ( 0.000 -2.089 0.000) 2.089 21.628 ( 0.000 2.089 0.000) 2.089 21.969 ( 0.000 -4.331 0.000) 4.331 21.969 ( 0.000 4.331 0.000) 4.331 22.642 ( 0.000 -4.983 0.000) 4.983 22.642 ( 0.000 4.983 0.000) 4.983 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.900 -18.393 0.000) 19.316 1.525 ( 5.900 18.393 0.000) 19.316 1.694 ( 6.210 -22.796 0.000) 23.627 1.694 ( 6.210 22.796 0.000) 23.627 2.566 ( 1.236 -2.409 0.000) 2.707 2.566 ( 1.236 2.409 0.000) 2.707 2.762 ( 4.036 -1.418 0.000) 4.278 2.762 ( 4.036 1.418 0.000) 4.278 2.823 ( -0.836 -6.481 0.000) 6.534 2.823 ( -0.836 6.481 0.000) 6.534 2.906 ( 4.379 -14.339 0.000) 14.993 2.906 ( 4.379 14.339 0.000) 14.993 3.135 ( 2.804 -9.186 0.000) 9.604 3.135 ( 2.804 9.186 0.000) 9.604 3.373 ( 0.626 -4.100 0.000) 4.147 3.373 ( 0.626 4.100 0.000) 4.147 3.610 ( -0.057 -6.283 0.000) 6.283 3.610 ( -0.057 6.283 0.000) 6.283 3.823 ( 0.898 -12.196 0.000) 12.229 3.823 ( 0.898 12.196 0.000) 12.229 4.014 ( -5.172 -3.798 0.000) 6.416 4.014 ( -5.172 3.798 0.000) 6.416 4.665 ( -0.592 -1.724 0.000) 1.823 4.665 ( -0.592 1.724 0.000) 1.823 4.920 ( -0.051 -4.518 0.000) 4.518 4.920 ( -0.051 4.518 0.000) 4.518 5.327 ( -1.322 -4.813 0.000) 4.991 5.327 ( -1.322 4.813 0.000) 4.991 5.478 ( -2.952 -1.074 0.000) 3.142 5.478 ( -2.952 1.074 0.000) 3.142 5.674 ( 6.332 -6.281 0.000) 8.919 5.674 ( 6.332 6.281 0.000) 8.919 5.884 ( 2.092 -7.459 0.000) 7.747 5.884 ( 2.092 7.459 0.000) 7.747 6.073 ( 1.817 -3.601 0.000) 4.033 6.073 ( 1.817 3.601 0.000) 4.033 6.284 ( -0.612 -0.653 0.000) 0.895 6.284 ( -0.612 0.653 0.000) 0.895 6.377 ( -0.995 -6.340 0.000) 6.417 6.377 ( -0.995 6.340 0.000) 6.417 7.567 ( -1.195 -3.848 0.000) 4.029 7.567 ( -1.195 3.848 0.000) 4.029 7.930 ( -1.499 -6.555 0.000) 6.724 7.930 ( -1.499 6.555 0.000) 6.724 8.136 ( 0.377 -4.733 0.000) 4.748 8.136 ( 0.377 4.733 0.000) 4.748 8.377 ( -2.142 -4.487 0.000) 4.972 8.377 ( -2.142 4.487 0.000) 4.972 8.773 ( -2.968 -8.205 0.000) 8.725 8.773 ( -2.968 8.205 0.000) 8.725 9.117 ( -7.618 -4.330 0.000) 8.763 9.117 ( -7.618 4.330 0.000) 8.763 9.610 ( -1.251 -3.466 0.000) 3.684 9.610 ( -1.251 3.466 0.000) 3.684 9.923 ( 6.489 -1.230 0.000) 6.605 9.923 ( 6.489 1.230 0.000) 6.605 10.227 ( 4.697 -3.208 0.000) 5.688 10.227 ( 4.697 3.208 0.000) 5.688 10.387 ( 1.655 -3.322 0.000) 3.711 10.387 ( 1.655 3.322 0.000) 3.711 11.226 ( 6.256 -2.274 0.000) 6.656 11.226 ( 6.256 2.274 0.000) 6.656 11.445 ( 9.546 -6.043 0.000) 11.298 11.445 ( 9.546 6.043 0.000) 11.298 12.281 ( -0.366 -4.616 0.000) 4.630 12.281 ( -0.366 4.616 0.000) 4.630 12.969 ( 0.288 -1.670 0.000) 1.695 12.969 ( 0.288 1.670 0.000) 1.695 13.571 ( 3.503 -7.907 0.000) 8.648 13.571 ( 3.503 7.907 0.000) 8.648 14.185 ( -13.096 -1.425 0.000) 13.174 14.185 ( -13.096 1.425 0.000) 13.174 14.643 ( 3.499 -5.120 0.000) 6.202 14.643 ( 3.499 5.120 0.000) 6.202 15.203 ( -4.188 -3.866 0.000) 5.700 15.203 ( -4.188 3.866 0.000) 5.700 15.387 ( -2.224 -2.751 0.000) 3.538 15.387 ( -2.224 2.751 0.000) 3.538 16.237 ( -4.031 -7.466 0.000) 8.485 16.237 ( -4.031 7.466 0.000) 8.485 16.557 ( 1.617 -3.552 0.000) 3.902 16.557 ( 1.617 3.552 0.000) 3.902 16.973 ( 1.662 -5.502 0.000) 5.747 16.973 ( 1.662 5.502 0.000) 5.747 17.610 ( 3.450 -2.473 0.000) 4.245 17.610 ( 3.450 2.473 0.000) 4.245 17.925 ( 6.610 -4.532 0.000) 8.014 17.925 ( 6.610 4.532 0.000) 8.014 18.462 ( 2.812 -7.506 0.000) 8.016 18.462 ( 2.812 7.506 0.000) 8.016 18.966 ( -3.418 -3.124 0.000) 4.631 18.966 ( -3.418 3.124 0.000) 4.631 19.345 ( -1.659 -2.971 0.000) 3.403 19.345 ( -1.659 2.971 0.000) 3.403 19.509 ( -1.955 -2.952 0.000) 3.541 19.509 ( -1.955 2.952 0.000) 3.541 20.117 ( 3.844 -6.650 0.000) 7.681 20.117 ( 3.844 6.650 0.000) 7.681 20.761 ( -2.786 -7.379 0.000) 7.887 20.761 ( -2.786 7.379 0.000) 7.887 21.197 ( -1.153 -5.948 0.000) 6.059 21.197 ( -1.153 5.948 0.000) 6.059 21.579 ( -4.665 -3.641 0.000) 5.918 21.579 ( -4.665 3.641 0.000) 5.918 21.978 ( 1.050 -3.755 0.000) 3.899 21.978 ( 1.050 3.755 0.000) 3.899 22.653 ( 0.586 -5.538 0.000) 5.569 22.653 ( 0.586 5.538 0.000) 5.569 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 8.738 -12.220 0.000) 15.023 1.668 ( 8.738 12.220 0.000) 15.023 1.866 ( 11.046 -13.476 0.000) 17.424 1.866 ( 11.046 13.476 0.000) 17.424 2.557 ( -2.735 -3.672 0.000) 4.579 2.557 ( -2.735 3.672 0.000) 4.579 2.787 ( 0.023 -3.183 0.000) 3.183 2.787 ( 0.023 3.183 0.000) 3.183 2.865 ( 4.192 -1.684 0.000) 4.518 2.865 ( 4.192 1.684 0.000) 4.518 3.022 ( 5.795 -6.957 0.000) 9.055 3.022 ( 5.795 6.957 0.000) 9.055 3.171 ( -0.377 -6.205 0.000) 6.216 3.171 ( -0.377 6.205 0.000) 6.216 3.424 ( 4.424 -5.927 0.000) 7.396 3.424 ( 4.424 5.927 0.000) 7.396 3.608 ( -0.409 -6.419 0.000) 6.432 3.608 ( -0.409 6.419 0.000) 6.432 3.792 ( -3.974 -6.335 0.000) 7.478 3.792 ( -3.974 6.335 0.000) 7.478 3.967 ( 1.716 -9.186 0.000) 9.345 3.967 ( 1.716 9.186 0.000) 9.345 4.628 ( -2.938 -3.999 0.000) 4.962 4.628 ( -2.938 3.999 0.000) 4.962 4.933 ( 1.290 -6.454 0.000) 6.582 4.933 ( 1.290 6.454 0.000) 6.582 5.261 ( -4.791 -1.398 0.000) 4.990 5.261 ( -4.791 1.398 0.000) 4.990 5.463 ( 1.074 -3.930 0.000) 4.074 5.463 ( 1.074 3.930 0.000) 4.074 5.748 ( 0.159 -10.641 0.000) 10.643 5.748 ( 0.159 10.641 0.000) 10.643 5.991 ( 7.632 -3.968 0.000) 8.602 5.991 ( 7.632 3.968 0.000) 8.602 6.072 ( -0.193 -3.847 0.000) 3.852 6.072 ( -0.193 3.847 0.000) 3.852 6.285 ( 0.483 -3.740 0.000) 3.771 6.285 ( 0.483 3.740 0.000) 3.771 6.372 ( 0.525 -6.009 0.000) 6.032 6.372 ( 0.525 6.009 0.000) 6.032 7.551 ( -0.071 -5.335 0.000) 5.336 7.551 ( -0.071 5.335 0.000) 5.336 7.893 ( -2.163 -5.001 0.000) 5.449 7.893 ( -2.163 5.001 0.000) 5.449 8.124 ( -1.992 -4.759 0.000) 5.159 8.124 ( -1.992 4.759 0.000) 5.159 8.326 ( -3.263 -4.950 0.000) 5.928 8.326 ( -3.263 4.950 0.000) 5.928 8.691 ( -4.768 -6.070 0.000) 7.719 8.691 ( -4.768 6.070 0.000) 7.719 8.982 ( -5.409 -5.150 0.000) 7.468 8.982 ( -5.409 5.150 0.000) 7.468 9.638 ( 3.119 -3.488 0.000) 4.679 9.638 ( 3.119 3.488 0.000) 4.679 9.975 ( -0.195 -3.019 0.000) 3.025 9.975 ( -0.195 3.019 0.000) 3.025 10.299 ( 2.453 -3.524 0.000) 4.294 10.299 ( 2.453 3.524 0.000) 4.294 10.484 ( 7.352 -2.250 0.000) 7.688 10.484 ( 7.352 2.250 0.000) 7.688 11.371 ( 7.934 -1.920 0.000) 8.163 11.371 ( 7.934 1.920 0.000) 8.163 11.657 ( 10.551 -3.274 0.000) 11.047 11.657 ( 10.551 3.274 0.000) 11.047 12.290 ( 1.859 -3.980 0.000) 4.393 12.290 ( 1.859 3.980 0.000) 4.393 12.972 ( -0.205 -2.193 0.000) 2.202 12.972 ( -0.205 2.193 0.000) 2.202 13.642 ( 2.574 -8.314 0.000) 8.704 13.642 ( 2.574 8.314 0.000) 8.704 13.950 ( -8.899 -6.320 0.000) 10.915 13.950 ( -8.899 6.320 0.000) 10.915 14.694 ( 1.788 -4.432 0.000) 4.779 14.694 ( 1.788 4.432 0.000) 4.779 15.098 ( -5.778 -3.131 0.000) 6.572 15.098 ( -5.778 3.131 0.000) 6.572 15.333 ( -3.167 -2.898 0.000) 4.292 15.333 ( -3.167 2.898 0.000) 4.292 16.114 ( -8.511 -9.063 0.000) 12.433 16.114 ( -8.511 9.063 0.000) 12.433 16.602 ( 2.973 -1.051 0.000) 3.153 16.602 ( 2.973 1.051 0.000) 3.153 17.019 ( 3.168 -6.002 0.000) 6.787 17.019 ( 3.168 6.002 0.000) 6.787 17.704 ( 5.394 -2.843 0.000) 6.097 17.704 ( 5.394 2.843 0.000) 6.097 18.053 ( 5.733 -3.599 0.000) 6.769 18.053 ( 5.733 3.599 0.000) 6.769 18.528 ( 3.703 -7.402 0.000) 8.277 18.528 ( 3.703 7.402 0.000) 8.277 18.871 ( -5.621 -4.441 0.000) 7.163 18.871 ( -5.621 4.441 0.000) 7.163 19.331 ( -0.082 -4.980 0.000) 4.980 19.331 ( -0.082 4.980 0.000) 4.980 19.478 ( -0.370 -3.721 0.000) 3.739 19.478 ( -0.370 3.721 0.000) 3.739 20.194 ( 3.584 -7.072 0.000) 7.928 20.194 ( 3.584 7.072 0.000) 7.928 20.695 ( -3.703 -7.925 0.000) 8.748 20.695 ( -3.703 7.925 0.000) 8.748 21.172 ( -1.261 -5.627 0.000) 5.767 21.172 ( -1.261 5.627 0.000) 5.767 21.466 ( -6.507 -6.053 0.000) 8.887 21.466 ( -6.507 6.053 0.000) 8.887 22.013 ( 2.509 -3.798 0.000) 4.552 22.013 ( 2.509 3.798 0.000) 4.552 22.644 ( -1.702 -5.455 0.000) 5.714 22.644 ( -1.702 5.455 0.000) 5.714 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 12.411 -5.866 0.000) 13.727 1.873 ( 12.411 5.866 0.000) 13.727 2.093 ( 11.127 -5.926 0.000) 12.606 2.093 ( 11.127 5.926 0.000) 12.606 2.484 ( -3.415 -4.854 0.000) 5.934 2.484 ( -3.415 4.854 0.000) 5.934 2.795 ( -0.149 -0.655 0.000) 0.672 2.795 ( -0.149 0.655 0.000) 0.672 2.938 ( 3.762 -0.498 0.000) 3.795 2.938 ( 3.762 0.498 0.000) 3.795 3.049 ( -5.589 -3.246 0.000) 6.464 3.049 ( -5.589 3.246 0.000) 6.464 3.141 ( -0.926 -4.060 0.000) 4.164 3.141 ( -0.926 4.060 0.000) 4.164 3.473 ( -0.561 -2.534 0.000) 2.595 3.473 ( -0.561 2.534 0.000) 2.595 3.590 ( -0.697 -2.266 0.000) 2.371 3.590 ( -0.697 2.266 0.000) 2.371 3.747 ( -0.434 -4.054 0.000) 4.077 3.747 ( -0.434 4.054 0.000) 4.077 4.067 ( 7.944 -10.672 0.000) 13.305 4.067 ( 7.944 10.672 0.000) 13.305 4.574 ( -1.923 -7.189 0.000) 7.442 4.574 ( -1.923 7.189 0.000) 7.442 4.954 ( 0.470 -8.443 0.000) 8.456 4.954 ( 0.470 8.443 0.000) 8.456 5.178 ( -3.490 -5.122 0.000) 6.198 5.178 ( -3.490 5.122 0.000) 6.198 5.485 ( 0.929 -1.851 0.000) 2.071 5.485 ( 0.929 1.851 0.000) 2.071 5.703 ( -3.560 -9.409 0.000) 10.060 5.703 ( -3.560 9.409 0.000) 10.060 6.054 ( 1.114 -5.078 0.000) 5.199 6.054 ( 1.114 5.078 0.000) 5.199 6.177 ( 7.603 -8.196 0.000) 11.180 6.177 ( 7.603 8.196 0.000) 11.180 6.299 ( 1.043 -3.699 0.000) 3.843 6.299 ( 1.043 3.699 0.000) 3.843 6.387 ( 0.906 -5.301 0.000) 5.378 6.387 ( 0.906 5.301 0.000) 5.378 7.573 ( 2.388 -6.067 0.000) 6.520 7.573 ( 2.388 6.067 0.000) 6.520 7.849 ( -2.273 -4.243 0.000) 4.813 7.849 ( -2.273 4.243 0.000) 4.813 8.059 ( -4.393 -4.700 0.000) 6.434 8.059 ( -4.393 4.700 0.000) 6.434 8.227 ( -7.015 -6.758 0.000) 9.740 8.227 ( -7.015 6.758 0.000) 9.740 8.631 ( -0.680 -7.821 0.000) 7.851 8.631 ( -0.680 7.821 0.000) 7.851 8.908 ( -2.572 -4.361 0.000) 5.063 8.908 ( -2.572 4.361 0.000) 5.063 9.705 ( 3.478 -2.506 0.000) 4.287 9.705 ( 3.478 2.506 0.000) 4.287 9.949 ( -2.008 -3.302 0.000) 3.865 9.949 ( -2.008 3.302 0.000) 3.865 10.338 ( 1.781 -3.433 0.000) 3.867 10.338 ( 1.781 3.433 0.000) 3.867 10.625 ( 6.491 -1.454 0.000) 6.651 10.625 ( 6.491 1.454 0.000) 6.651 11.508 ( 5.650 -2.816 0.000) 6.313 11.508 ( 5.650 2.816 0.000) 6.313 11.809 ( 4.720 -3.630 0.000) 5.954 11.809 ( 4.720 3.630 0.000) 5.954 12.366 ( 5.657 -3.171 0.000) 6.485 12.366 ( 5.657 3.171 0.000) 6.485 12.948 ( -2.437 -4.342 0.000) 4.979 12.948 ( -2.437 4.342 0.000) 4.979 13.650 ( -0.070 -9.089 0.000) 9.089 13.650 ( -0.070 9.089 0.000) 9.089 13.879 ( -0.002 -11.884 0.000) 11.884 13.879 ( -0.002 11.884 0.000) 11.884 14.713 ( 0.252 -3.323 0.000) 3.333 14.713 ( 0.252 3.323 0.000) 3.333 15.006 ( -3.465 -2.798 0.000) 4.454 15.006 ( -3.465 2.798 0.000) 4.454 15.275 ( -2.174 -3.825 0.000) 4.400 15.275 ( -2.174 3.825 0.000) 4.400 15.921 ( -10.803 -8.303 0.000) 13.625 15.921 ( -10.803 8.303 0.000) 13.625 16.672 ( 4.044 -0.533 0.000) 4.079 16.672 ( 4.044 0.533 0.000) 4.079 17.084 ( 2.902 -7.088 0.000) 7.659 17.084 ( 2.902 7.088 0.000) 7.659 17.804 ( 4.959 -0.924 0.000) 5.044 17.804 ( 4.959 0.924 0.000) 5.044 18.123 ( 1.092 -1.651 0.000) 1.980 18.123 ( 1.092 1.651 0.000) 1.980 18.602 ( 3.778 -6.984 0.000) 7.941 18.602 ( 3.778 6.984 0.000) 7.941 18.776 ( -3.588 -6.807 0.000) 7.695 18.776 ( -3.588 6.807 0.000) 7.695 19.335 ( 0.703 -4.576 0.000) 4.630 19.335 ( 0.703 4.576 0.000) 4.630 19.496 ( 1.442 -2.973 0.000) 3.304 19.496 ( 1.442 2.973 0.000) 3.304 20.253 ( 2.772 -9.204 0.000) 9.612 20.253 ( 2.772 9.204 0.000) 9.612 20.619 ( -4.206 -8.784 0.000) 9.739 20.619 ( -4.206 8.784 0.000) 9.739 21.152 ( -0.684 -5.660 0.000) 5.701 21.152 ( -0.684 5.660 0.000) 5.701 21.339 ( -6.230 -5.787 0.000) 8.503 21.339 ( -6.230 5.787 0.000) 8.503 22.073 ( 3.545 -3.437 0.000) 4.937 22.073 ( 3.545 3.437 0.000) 4.937 22.588 ( -3.873 -4.606 0.000) 6.018 22.588 ( -3.873 4.606 0.000) 6.018 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 13.018 -0.968 0.000) 13.054 2.134 ( 13.018 0.968 0.000) 13.054 2.242 ( 3.703 -3.592 0.000) 5.159 2.242 ( 3.703 3.592 0.000) 5.159 2.481 ( 3.519 -3.415 0.000) 4.904 2.481 ( 3.519 3.415 0.000) 4.904 2.769 ( -3.503 -1.526 0.000) 3.821 2.769 ( -3.503 1.526 0.000) 3.821 2.868 ( -7.641 -2.241 0.000) 7.962 2.868 ( -7.641 2.241 0.000) 7.962 3.017 ( -1.121 -1.132 0.000) 1.593 3.017 ( -1.121 1.132 0.000) 1.593 3.104 ( 0.903 -2.843 0.000) 2.983 3.104 ( 0.903 2.843 0.000) 2.983 3.406 ( -5.802 -2.708 0.000) 6.403 3.406 ( -5.802 2.708 0.000) 6.403 3.613 ( 2.618 -5.952 0.000) 6.503 3.613 ( 2.618 5.952 0.000) 6.503 3.738 ( -0.804 -2.789 0.000) 2.903 3.738 ( -0.804 2.789 0.000) 2.903 4.228 ( 7.283 -5.566 0.000) 9.166 4.228 ( 7.283 5.566 0.000) 9.166 4.562 ( 0.284 -6.610 0.000) 6.616 4.562 ( 0.284 6.610 0.000) 6.616 4.951 ( -0.408 -5.628 0.000) 5.643 4.951 ( -0.408 5.628 0.000) 5.643 5.115 ( -3.138 -4.780 0.000) 5.718 5.115 ( -3.138 4.780 0.000) 5.718 5.510 ( 1.976 -3.080 0.000) 3.659 5.510 ( 1.976 3.080 0.000) 3.659 5.636 ( -3.230 -7.511 0.000) 8.176 5.636 ( -3.230 7.511 0.000) 8.176 6.078 ( 1.116 -3.014 0.000) 3.214 6.078 ( 1.116 3.014 0.000) 3.214 6.277 ( 2.116 -3.915 0.000) 4.450 6.277 ( 2.116 3.915 0.000) 4.450 6.335 ( 2.767 -3.912 0.000) 4.792 6.335 ( 2.767 3.912 0.000) 4.792 6.407 ( 1.061 -4.675 0.000) 4.794 6.407 ( 1.061 4.675 0.000) 4.794 7.638 ( 4.099 -7.154 0.000) 8.245 7.638 ( 4.099 7.154 0.000) 8.245 7.802 ( -2.872 -5.566 0.000) 6.263 7.802 ( -2.872 5.566 0.000) 6.263 7.968 ( -4.270 -2.359 0.000) 4.878 7.968 ( -4.270 2.359 0.000) 4.878 8.089 ( -5.947 -4.411 0.000) 7.405 8.089 ( -5.947 4.411 0.000) 7.405 8.656 ( 2.423 -6.333 0.000) 6.780 8.656 ( 2.423 6.333 0.000) 6.780 8.867 ( -1.866 -3.525 0.000) 3.988 8.867 ( -1.866 3.525 0.000) 3.988 9.769 ( 3.148 -1.119 0.000) 3.341 9.769 ( 3.148 1.119 0.000) 3.341 9.901 ( -2.875 -2.673 0.000) 3.926 9.901 ( -2.875 2.673 0.000) 3.926 10.369 ( 1.257 -2.253 0.000) 2.579 10.369 ( 1.257 2.253 0.000) 2.579 10.725 ( 3.616 -0.751 0.000) 3.693 10.725 ( 3.616 0.751 0.000) 3.693 11.585 ( 2.375 -1.888 0.000) 3.034 11.585 ( 2.375 1.888 0.000) 3.034 11.857 ( 0.885 -2.176 0.000) 2.349 11.857 ( 0.885 2.176 0.000) 2.349 12.481 ( 5.345 -2.285 0.000) 5.813 12.481 ( 5.345 2.285 0.000) 5.813 12.883 ( -3.686 -4.111 0.000) 5.522 12.883 ( -3.686 4.111 0.000) 5.522 13.695 ( 4.487 -10.019 0.000) 10.978 13.695 ( 4.487 10.019 0.000) 10.978 13.870 ( -1.790 -10.673 0.000) 10.822 13.870 ( -1.790 10.673 0.000) 10.822 14.718 ( 0.555 -1.665 0.000) 1.755 14.718 ( 0.555 1.665 0.000) 1.755 14.945 ( -3.285 -0.888 0.000) 3.403 14.945 ( -3.285 0.888 0.000) 3.403 15.278 ( 2.682 -3.616 0.000) 4.502 15.278 ( 2.682 3.616 0.000) 4.502 15.717 ( -9.505 -6.424 0.000) 11.473 15.717 ( -9.505 6.424 0.000) 11.473 16.748 ( 3.341 -0.560 0.000) 3.388 16.748 ( 3.341 0.560 0.000) 3.388 17.117 ( 0.584 -4.718 0.000) 4.754 17.117 ( 0.584 4.718 0.000) 4.754 17.902 ( 5.069 -3.155 0.000) 5.971 17.902 ( 5.069 3.155 0.000) 5.971 18.101 ( -2.826 -6.216 0.000) 6.828 18.101 ( -2.826 6.216 0.000) 6.828 18.653 ( 0.916 -6.773 0.000) 6.834 18.653 ( 0.916 6.773 0.000) 6.834 18.748 ( 0.637 -8.027 0.000) 8.053 18.748 ( 0.637 8.027 0.000) 8.053 19.368 ( 2.760 -3.609 0.000) 4.543 19.368 ( 2.760 3.609 0.000) 4.543 19.504 ( -0.991 -1.141 0.000) 1.511 19.504 ( -0.991 1.141 0.000) 1.511 20.316 ( 3.937 -10.541 0.000) 11.252 20.316 ( 3.937 10.541 0.000) 11.252 20.526 ( -5.299 -9.973 0.000) 11.294 20.526 ( -5.299 9.973 0.000) 11.294 21.147 ( 0.170 -4.747 0.000) 4.750 21.147 ( 0.170 4.747 0.000) 4.750 21.236 ( -4.056 -3.577 0.000) 5.408 21.236 ( -4.056 3.577 0.000) 5.408 22.143 ( 3.316 -2.285 0.000) 4.027 22.143 ( 3.316 2.285 0.000) 4.027 22.508 ( -3.886 -3.166 0.000) 5.012 22.508 ( -3.886 3.166 0.000) 5.012 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 -0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.637 ( -0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 -0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.899 ( -0.000 -0.000 0.000) 0.000 2.899 ( -0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.309 ( -0.000 -0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.724 ( -0.000 -0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 -0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 -0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 -0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.588 ( -0.000 -0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 -0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 -0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 7.711 ( -0.000 -0.000 0.000) 0.000 7.711 ( 0.000 -0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 -0.000 0.000) 0.000 7.924 ( -0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 -0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 -0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 -0.000 0.000) 0.000 9.853 ( -0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 -0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 -0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.839 ( 0.000 -0.000 0.000) 0.000 12.839 ( 0.000 0.000 0.000) 0.000 13.779 ( -0.000 -0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 -0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.328 ( -0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 15.602 ( 0.000 0.000 0.000) 0.000 15.602 ( 0.000 0.000 0.000) 0.000 16.784 ( 0.000 0.000 0.000) 0.000 16.784 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 18.049 ( -0.000 -0.000 0.000) 0.000 18.049 ( 0.000 -0.000 0.000) 0.000 18.657 ( 0.000 -0.000 0.000) 0.000 18.657 ( 0.000 0.000 0.000) 0.000 18.762 ( 0.000 -0.000 0.000) 0.000 18.762 ( 0.000 0.000 0.000) 0.000 19.416 ( 0.000 -0.000 0.000) 0.000 19.416 ( 0.000 0.000 0.000) 0.000 19.475 ( -0.000 0.000 0.000) 0.000 19.475 ( 0.000 -0.000 0.000) 0.000 20.390 ( -0.000 0.000 0.000) 0.000 20.390 ( 0.000 0.000 0.000) 0.000 20.437 ( 0.000 -0.000 0.000) 0.000 20.437 ( 0.000 -0.000 0.000) 0.000 21.154 ( -0.000 -0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 21.191 ( 0.000 -0.000 0.000) 0.000 21.191 ( 0.000 0.000 0.000) 0.000 22.181 ( 0.000 0.000 0.000) 0.000 22.181 ( 0.000 0.000 0.000) 0.000 22.463 ( 0.000 -0.000 0.000) 0.000 22.463 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 0.000 27.355) 27.355 0.623 ( 0.000 0.000 29.825) 29.825 1.107 ( 0.000 0.000 52.418) 52.418 2.018 ( 0.000 0.000 -16.091) 16.091 2.219 ( 0.000 0.000 -15.712) 15.712 2.380 ( 0.000 0.000 9.946) 9.946 2.579 ( 0.000 0.000 3.385) 3.385 2.760 ( 0.000 0.000 2.175) 2.175 2.802 ( 0.000 0.000 -1.234) 1.234 2.846 ( 0.000 0.000 2.401) 2.401 2.947 ( 0.000 0.000 0.161) 0.161 3.084 ( 0.000 0.000 -1.330) 1.330 3.292 ( 0.000 0.000 4.730) 4.730 3.310 ( 0.000 0.000 -3.950) 3.950 3.372 ( 0.000 0.000 8.012) 8.012 3.392 ( 0.000 0.000 -1.588) 1.588 3.470 ( 0.000 0.000 0.874) 0.874 3.779 ( 0.000 0.000 3.553) 3.553 3.899 ( 0.000 0.000 -12.632) 12.632 4.027 ( 0.000 0.000 -2.182) 2.182 4.083 ( 0.000 0.000 -9.390) 9.390 4.286 ( 0.000 0.000 -12.242) 12.242 4.567 ( 0.000 0.000 -1.055) 1.055 4.841 ( 0.000 0.000 7.500) 7.500 4.861 ( 0.000 0.000 -4.479) 4.479 4.915 ( 0.000 0.000 -0.723) 0.723 4.967 ( 0.000 0.000 4.772) 4.772 5.121 ( 0.000 0.000 -2.134) 2.134 5.252 ( 0.000 0.000 -6.645) 6.645 5.342 ( 0.000 0.000 0.753) 0.753 5.627 ( 0.000 0.000 4.283) 4.283 5.650 ( 0.000 0.000 -0.723) 0.723 5.653 ( 0.000 0.000 1.030) 1.030 5.741 ( 0.000 0.000 5.368) 5.368 5.980 ( 0.000 0.000 1.817) 1.817 6.095 ( 0.000 0.000 0.689) 0.689 6.359 ( 0.000 0.000 -2.897) 2.897 6.447 ( 0.000 0.000 -1.028) 1.028 6.608 ( 0.000 0.000 6.272) 6.272 6.850 ( 0.000 0.000 -1.383) 1.383 7.359 ( 0.000 0.000 1.019) 1.019 7.535 ( 0.000 0.000 -4.113) 4.113 7.937 ( 0.000 0.000 1.324) 1.324 7.941 ( 0.000 0.000 -0.098) 0.098 8.193 ( 0.000 0.000 -0.424) 0.424 8.300 ( 0.000 0.000 -1.445) 1.445 8.353 ( 0.000 0.000 4.704) 4.704 8.534 ( 0.000 0.000 1.332) 1.332 8.890 ( 0.000 0.000 -3.408) 3.408 8.975 ( 0.000 0.000 -4.265) 4.265 9.148 ( 0.000 0.000 2.125) 2.125 9.214 ( 0.000 0.000 0.770) 0.770 9.621 ( 0.000 0.000 2.959) 2.959 9.676 ( 0.000 0.000 3.881) 3.881 9.792 ( 0.000 0.000 0.424) 0.424 9.807 ( 0.000 0.000 0.502) 0.502 10.191 ( 0.000 0.000 -2.262) 2.262 10.277 ( 0.000 0.000 -4.042) 4.042 10.292 ( 0.000 0.000 -1.745) 1.745 10.333 ( 0.000 0.000 -1.915) 1.915 10.704 ( 0.000 0.000 2.820) 2.820 10.878 ( 0.000 0.000 -1.633) 1.633 11.452 ( 0.000 0.000 2.206) 2.206 11.722 ( 0.000 0.000 -4.332) 4.332 12.527 ( 0.000 0.000 7.400) 7.400 12.897 ( 0.000 0.000 -1.784) 1.784 12.983 ( 0.000 0.000 1.131) 1.131 13.088 ( 0.000 0.000 -1.465) 1.465 13.712 ( 0.000 0.000 -0.871) 0.871 13.728 ( 0.000 0.000 -0.529) 0.529 13.784 ( 0.000 0.000 2.875) 2.875 14.168 ( 0.000 0.000 -7.655) 7.655 14.666 ( 0.000 0.000 0.609) 0.609 14.738 ( 0.000 0.000 -2.037) 2.037 15.026 ( 0.000 0.000 10.120) 10.120 15.248 ( 0.000 0.000 0.828) 0.828 15.322 ( 0.000 0.000 -1.013) 1.013 15.449 ( 0.000 0.000 -1.279) 1.279 16.066 ( 0.000 0.000 3.024) 3.024 16.291 ( 0.000 0.000 -2.520) 2.520 16.572 ( 0.000 0.000 -2.093) 2.093 16.677 ( 0.000 0.000 -6.664) 6.664 17.208 ( 0.000 0.000 3.658) 3.658 17.300 ( 0.000 0.000 -1.633) 1.633 17.328 ( 0.000 0.000 3.656) 3.656 17.498 ( 0.000 0.000 1.095) 1.095 18.103 ( 0.000 0.000 0.431) 0.431 18.184 ( 0.000 0.000 -1.488) 1.488 18.212 ( 0.000 0.000 3.373) 3.373 18.577 ( 0.000 0.000 -4.963) 4.963 18.757 ( 0.000 0.000 2.150) 2.150 18.852 ( 0.000 0.000 -0.282) 0.282 19.317 ( 0.000 0.000 0.787) 0.787 19.386 ( 0.000 0.000 1.070) 1.070 19.420 ( 0.000 0.000 -0.814) 0.814 19.519 ( 0.000 0.000 -2.899) 2.899 19.818 ( 0.000 0.000 0.423) 0.423 19.863 ( 0.000 0.000 -0.918) 0.918 20.500 ( 0.000 0.000 4.049) 4.049 20.682 ( 0.000 0.000 -1.101) 1.101 20.790 ( 0.000 0.000 7.174) 7.174 21.306 ( 0.000 0.000 0.068) 0.068 21.427 ( 0.000 0.000 -1.948) 1.948 21.475 ( 0.000 0.000 -6.815) 6.815 22.158 ( 0.000 0.000 1.160) 1.160 22.236 ( 0.000 0.000 -0.889) 0.889 22.774 ( 0.000 0.000 0.797) 0.797 22.844 ( 0.000 0.000 -0.684) 0.684 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 20.899 0.000 18.623) 27.992 0.908 ( 19.962 0.000 22.908) 30.385 1.483 ( 35.691 0.000 35.233) 50.152 2.101 ( 7.784 0.000 -15.665) 17.492 2.236 ( 1.528 0.000 -11.726) 11.825 2.377 ( 0.106 0.000 8.997) 8.998 2.646 ( 5.973 0.000 2.497) 6.474 2.763 ( 0.195 0.000 1.670) 1.681 2.822 ( 2.026 0.000 -1.629) 2.600 2.874 ( 2.578 0.000 0.457) 2.618 2.934 ( -1.201 0.000 0.437) 1.278 3.069 ( -1.512 0.000 -1.424) 2.077 3.233 ( -2.719 0.000 5.570) 6.198 3.305 ( -0.659 0.000 -2.392) 2.481 3.322 ( -2.695 0.000 4.850) 5.549 3.448 ( 0.113 0.000 0.222) 0.249 3.459 ( 0.198 0.000 1.791) 1.802 3.727 ( -4.250 0.000 1.856) 4.638 3.914 ( 0.460 0.000 -9.692) 9.703 3.991 ( -3.474 0.000 -3.490) 4.925 4.039 ( -3.814 0.000 -7.541) 8.450 4.264 ( -2.091 0.000 -12.451) 12.625 4.518 ( -4.052 0.000 -1.036) 4.182 4.787 ( -3.751 0.000 3.601) 5.199 4.848 ( -0.547 0.000 -1.972) 2.047 4.988 ( 4.437 0.000 0.485) 4.463 5.027 ( 4.953 0.000 1.933) 5.317 5.133 ( -3.391 0.000 -1.104) 3.566 5.209 ( -1.437 0.000 -5.266) 5.459 5.305 ( 1.260 0.000 2.452) 2.757 5.552 ( -4.870 0.000 5.716) 7.510 5.642 ( 3.315 0.000 -0.812) 3.413 5.793 ( 4.775 0.000 0.435) 4.794 5.882 ( 8.301 0.000 -3.514) 9.014 6.056 ( 7.282 0.000 0.905) 7.338 6.148 ( 5.408 0.000 1.012) 5.502 6.311 ( -3.466 0.000 1.786) 3.899 6.468 ( 1.775 0.000 -0.877) 1.980 6.574 ( -2.721 0.000 5.197) 5.866 6.802 ( -5.417 0.000 -0.724) 5.465 7.364 ( 0.636 0.000 0.995) 1.181 7.543 ( 0.675 0.000 -4.123) 4.178 7.898 ( -3.996 0.000 2.699) 4.822 7.941 ( 0.292 0.000 -0.940) 0.984 8.132 ( -5.150 0.000 2.007) 5.527 8.216 ( -3.395 0.000 2.256) 4.076 8.368 ( 0.158 0.000 5.278) 5.280 8.570 ( 2.821 0.000 0.383) 2.847 8.751 ( -8.817 0.000 -2.462) 9.154 8.855 ( -9.369 0.000 -3.782) 10.104 9.183 ( 1.737 0.000 0.651) 1.855 9.312 ( 4.070 0.000 -1.104) 4.217 9.626 ( -1.065 0.000 -0.876) 1.379 9.654 ( -1.428 0.000 2.798) 3.142 9.791 ( -0.374 0.000 -0.268) 0.460 9.854 ( 1.740 0.000 -0.537) 1.821 10.165 ( -2.738 0.000 0.184) 2.744 10.240 ( 2.080 0.000 -0.902) 2.268 10.370 ( 7.071 0.000 -3.741) 8.000 10.491 ( 9.306 0.000 -8.531) 12.625 10.833 ( 11.404 0.000 1.797) 11.544 10.949 ( 6.664 0.000 -0.872) 6.721 11.538 ( 7.244 0.000 -1.631) 7.425 11.759 ( 3.577 0.000 -4.726) 5.927 12.532 ( 0.409 0.000 7.033) 7.044 12.855 ( -7.171 0.000 7.063) 10.065 12.948 ( -7.766 0.000 5.926) 9.769 13.018 ( -13.897 0.000 14.928) 20.396 13.148 ( 1.476 0.000 3.537) 3.833 13.716 ( -3.727 0.000 -0.486) 3.759 14.092 ( -4.489 0.000 -5.367) 6.997 14.131 ( 9.518 0.000 -10.447) 14.132 14.640 ( -4.868 0.000 4.658) 6.738 14.699 ( 2.124 0.000 -0.034) 2.125 14.946 ( -3.504 0.000 6.373) 7.273 15.187 ( -5.168 0.000 -0.971) 5.258 15.412 ( -3.495 0.000 1.425) 3.774 15.465 ( 5.109 0.000 -1.980) 5.479 15.942 ( -10.692 0.000 4.190) 11.484 16.297 ( 3.493 0.000 -1.062) 3.651 16.560 ( 2.253 0.000 -2.498) 3.364 16.643 ( -5.871 0.000 -9.777) 11.404 17.189 ( -5.155 0.000 7.993) 9.511 17.331 ( 7.766 0.000 2.931) 8.300 17.481 ( 2.021 0.000 -2.183) 2.975 17.568 ( 8.777 0.000 -8.060) 11.916 18.027 ( -4.337 0.000 4.372) 6.158 18.129 ( -0.301 0.000 4.202) 4.213 18.214 ( -3.365 0.000 1.533) 3.698 18.644 ( 5.919 0.000 -6.621) 8.881 18.802 ( 4.533 0.000 1.961) 4.939 18.884 ( 2.821 0.000 -0.146) 2.825 19.319 ( 0.024 0.000 0.624) 0.624 19.441 ( 0.999 0.000 -1.330) 1.664 19.519 ( 1.296 0.000 -1.827) 2.240 19.809 ( 3.663 0.000 -4.888) 6.108 19.855 ( -0.509 0.000 -0.279) 0.581 19.928 ( 22.046 0.000 -21.058) 30.487 20.484 ( 0.560 0.000 1.296) 1.412 20.677 ( -1.579 0.000 -1.583) 2.236 20.842 ( 5.044 0.000 5.860) 7.732 21.259 ( -3.351 0.000 3.555) 4.886 21.388 ( -4.398 0.000 -3.974) 5.927 21.519 ( 3.501 0.000 -8.423) 9.121 22.143 ( -2.521 0.000 2.098) 3.280 22.232 ( -0.369 0.000 -0.675) 0.770 22.530 ( -10.984 0.000 13.394) 17.322 22.893 ( -1.691 0.000 -5.280) 5.545 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 23.599 0.000 10.735) 25.926 1.309 ( 21.771 0.000 16.442) 27.282 2.207 ( 19.412 0.000 2.300) 19.548 2.249 ( 3.388 0.000 -6.817) 7.613 2.335 ( 24.237 0.000 3.270) 24.456 2.394 ( 2.978 0.000 7.701) 8.256 2.709 ( -1.330 0.000 1.014) 1.672 2.795 ( 2.166 0.000 0.176) 2.174 2.880 ( -0.674 0.000 -1.202) 1.378 2.903 ( 4.918 0.000 -3.449) 6.006 2.933 ( 0.895 0.000 -1.585) 1.820 3.033 ( -1.538 0.000 -1.076) 1.877 3.182 ( -2.957 0.000 3.384) 4.493 3.248 ( -4.501 0.000 -0.908) 4.592 3.308 ( -0.344 0.000 2.798) 2.819 3.389 ( -4.577 0.000 0.855) 4.656 3.475 ( 0.618 0.000 0.995) 1.171 3.645 ( -3.374 0.000 4.745) 5.822 3.871 ( -5.110 0.000 -3.813) 6.376 3.902 ( -4.060 0.000 -4.852) 6.327 3.979 ( -3.127 0.000 -3.786) 4.910 4.235 ( 0.156 0.000 -9.130) 9.131 4.462 ( -0.360 0.000 -4.303) 4.318 4.695 ( -5.231 0.000 -1.236) 5.375 4.845 ( -0.527 0.000 -0.391) 0.656 4.986 ( -4.528 0.000 4.438) 6.340 5.103 ( 4.698 0.000 -0.257) 4.705 5.129 ( 2.310 0.000 -2.533) 3.428 5.219 ( 3.182 0.000 -4.147) 5.227 5.403 ( 6.253 0.000 0.229) 6.257 5.461 ( -3.988 0.000 8.523) 9.410 5.699 ( 1.988 0.000 -2.197) 2.963 5.863 ( 2.222 0.000 1.516) 2.690 5.987 ( 3.406 0.000 -2.684) 4.337 6.220 ( 7.291 0.000 2.793) 7.808 6.246 ( 0.577 0.000 3.660) 3.705 6.301 ( 7.066 0.000 -0.472) 7.082 6.495 ( 0.102 0.000 0.603) 0.611 6.519 ( -2.474 0.000 1.221) 2.759 6.655 ( -8.423 0.000 -1.001) 8.482 7.387 ( 1.683 0.000 0.973) 1.944 7.560 ( 0.984 0.000 -4.192) 4.306 7.803 ( -4.735 0.000 5.089) 6.951 7.932 ( -1.791 0.000 -2.178) 2.820 8.060 ( -1.991 0.000 3.687) 4.190 8.167 ( -2.393 0.000 1.758) 2.969 8.375 ( 0.309 0.000 4.427) 4.438 8.494 ( -8.382 0.000 0.063) 8.382 8.656 ( -10.349 0.000 -3.443) 10.907 8.715 ( 2.345 0.000 -2.316) 3.296 9.194 ( -0.544 0.000 -1.777) 1.858 9.294 ( -4.371 0.000 -1.715) 4.695 9.581 ( -2.428 0.000 0.377) 2.457 9.641 ( -0.712 0.000 2.372) 2.476 9.795 ( 0.207 0.000 -1.692) 1.705 9.830 ( -3.412 0.000 -1.393) 3.685 10.180 ( 4.600 0.000 3.059) 5.524 10.326 ( 5.816 0.000 -0.722) 5.860 10.519 ( 7.829 0.000 -3.282) 8.489 10.643 ( 6.356 0.000 -7.226) 9.623 11.078 ( 12.098 0.000 0.894) 12.131 11.106 ( 9.132 0.000 0.825) 9.169 11.687 ( 7.572 0.000 -3.684) 8.420 11.845 ( 4.853 0.000 -5.241) 7.143 12.540 ( 0.326 0.000 6.774) 6.782 12.624 ( -7.971 0.000 23.833) 25.131 12.841 ( -3.537 0.000 -1.522) 3.850 12.982 ( 1.439 0.000 2.341) 2.748 13.241 ( 5.882 0.000 -1.119) 5.987 13.577 ( -10.435 0.000 -3.054) 10.873 14.022 ( -0.434 0.000 -0.445) 0.621 14.296 ( 6.638 0.000 -7.870) 10.296 14.576 ( -1.438 0.000 4.744) 4.957 14.733 ( 0.685 0.000 -1.155) 1.343 14.875 ( -3.748 0.000 3.682) 5.254 15.086 ( -4.722 0.000 -1.881) 5.083 15.312 ( -6.113 0.000 4.691) 7.705 15.518 ( 1.202 0.000 0.798) 1.443 15.730 ( -10.886 0.000 2.141) 11.095 16.277 ( -7.851 0.000 -9.838) 12.587 16.591 ( 2.860 0.000 -2.611) 3.873 16.638 ( 5.354 0.000 -2.898) 6.088 17.068 ( -6.208 0.000 10.067) 11.827 17.490 ( -0.396 0.000 -3.209) 3.234 17.516 ( 9.797 0.000 -0.700) 9.822 17.715 ( 6.550 0.000 -6.713) 9.379 17.980 ( -0.379 0.000 5.391) 5.404 18.143 ( -1.043 0.000 2.142) 2.383 18.171 ( 2.451 0.000 7.003) 7.419 18.712 ( 0.364 0.000 -4.627) 4.641 18.923 ( 6.171 0.000 -0.400) 6.184 18.957 ( 5.092 0.000 0.101) 5.093 19.309 ( -1.102 0.000 0.510) 1.214 19.434 ( -1.403 0.000 -2.133) 2.553 19.535 ( -0.535 0.000 1.586) 1.674 19.824 ( 0.307 0.000 -0.353) 0.468 19.833 ( -1.303 0.000 0.599) 1.434 20.147 ( 0.982 0.000 -18.710) 18.735 20.532 ( 3.741 0.000 2.647) 4.582 20.674 ( 2.516 0.000 -3.522) 4.329 20.929 ( 2.954 0.000 3.959) 4.940 21.202 ( -2.321 0.000 3.906) 4.543 21.289 ( -4.905 0.000 -2.529) 5.519 21.569 ( 1.160 0.000 -10.144) 10.210 22.054 ( -5.028 0.000 6.646) 8.334 22.232 ( 0.106 0.000 -1.280) 1.284 22.422 ( -2.127 0.000 8.262) 8.531 22.817 ( -5.227 0.000 -4.982) 7.221 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 19.173 0.000 8.301) 20.892 1.755 ( 22.611 0.000 7.451) 23.807 2.186 ( -4.672 0.000 2.556) 5.326 2.372 ( 3.785 0.000 -1.191) 3.968 2.503 ( 8.235 0.000 -6.258) 10.343 2.650 ( -4.286 0.000 -3.202) 5.350 2.750 ( -1.660 0.000 0.104) 1.663 2.790 ( -0.415 0.000 -1.067) 1.145 2.841 ( -2.004 0.000 -0.666) 2.111 2.927 ( -4.756 0.000 1.664) 5.039 2.955 ( 2.730 0.000 -2.911) 3.991 3.108 ( -4.119 0.000 -1.432) 4.361 3.119 ( -1.754 0.000 0.065) 1.755 3.193 ( 5.604 0.000 3.482) 6.598 3.298 ( -1.477 0.000 -1.771) 2.306 3.335 ( 6.238 0.000 4.020) 7.421 3.459 ( -0.174 0.000 2.819) 2.824 3.652 ( 2.775 0.000 4.078) 4.932 3.783 ( -2.106 0.000 -0.556) 2.178 3.838 ( -1.457 0.000 -3.005) 3.340 3.931 ( 0.439 0.000 -0.279) 0.520 4.273 ( 3.051 0.000 -1.214) 3.284 4.485 ( -0.081 0.000 -1.803) 1.805 4.634 ( 0.895 0.000 -9.625) 9.667 4.813 ( -2.504 0.000 0.358) 2.529 4.907 ( -3.845 0.000 1.934) 4.303 5.161 ( 3.133 0.000 1.259) 3.376 5.214 ( 4.505 0.000 0.039) 4.505 5.296 ( 4.099 0.000 -2.201) 4.652 5.393 ( -2.520 0.000 5.202) 5.780 5.517 ( 4.601 0.000 0.611) 4.641 5.723 ( 0.719 0.000 -1.482) 1.647 5.872 ( -1.417 0.000 2.135) 2.562 6.033 ( 1.065 0.000 -1.670) 1.980 6.201 ( -1.935 0.000 4.070) 4.507 6.353 ( -3.320 0.000 0.432) 3.349 6.422 ( 5.614 0.000 0.462) 5.633 6.443 ( 0.433 0.000 2.287) 2.327 6.522 ( 2.928 0.000 -1.658) 3.365 6.559 ( -1.256 0.000 -2.951) 3.207 7.427 ( 2.261 0.000 1.067) 2.500 7.564 ( -1.018 0.000 -2.237) 2.457 7.752 ( 0.072 0.000 4.519) 4.519 7.877 ( -3.398 0.000 -1.605) 3.758 8.028 ( -2.084 0.000 4.012) 4.521 8.120 ( -1.973 0.000 2.172) 2.934 8.302 ( -7.721 0.000 -1.301) 7.830 8.415 ( -1.892 0.000 1.044) 2.161 8.465 ( -6.189 0.000 0.618) 6.220 8.741 ( -0.304 0.000 -2.167) 2.188 9.168 ( -2.001 0.000 -2.337) 3.077 9.206 ( -3.879 0.000 -1.432) 4.135 9.555 ( -0.436 0.000 0.596) 0.739 9.621 ( -0.593 0.000 1.443) 1.560 9.746 ( -4.792 0.000 -1.588) 5.049 9.796 ( -0.116 0.000 -2.488) 2.490 10.299 ( 6.461 0.000 3.206) 7.213 10.436 ( 4.830 0.000 0.212) 4.834 10.660 ( 6.408 0.000 -3.346) 7.229 10.745 ( 4.172 0.000 -5.209) 6.674 11.249 ( 6.877 0.000 2.058) 7.178 11.297 ( 8.222 0.000 1.916) 8.442 11.820 ( 5.861 0.000 -4.044) 7.121 11.930 ( 3.469 0.000 -5.376) 6.398 12.523 ( -0.970 0.000 14.007) 14.040 12.580 ( 1.415 0.000 6.938) 7.081 12.776 ( -2.908 0.000 -0.951) 3.060 13.044 ( 3.955 0.000 0.654) 4.008 13.334 ( -3.061 0.000 -3.200) 4.429 13.377 ( -1.836 0.000 -2.019) 2.729 14.076 ( 5.363 0.000 3.332) 6.314 14.369 ( 1.042 0.000 -2.638) 2.837 14.597 ( 3.293 0.000 1.127) 3.480 14.714 ( -2.430 0.000 -0.684) 2.524 14.810 ( -3.139 0.000 2.762) 4.182 15.001 ( -4.372 0.000 -0.664) 4.422 15.210 ( -3.347 0.000 3.431) 4.794 15.504 ( -7.768 0.000 -0.621) 7.792 15.547 ( -2.238 0.000 2.462) 3.327 16.069 ( -11.668 0.000 -10.954) 16.004 16.682 ( 4.805 0.000 0.049) 4.806 16.749 ( 5.136 0.000 -2.237) 5.602 16.980 ( -1.931 0.000 8.407) 8.626 17.439 ( -4.612 0.000 -4.960) 6.773 17.695 ( 7.843 0.000 -3.527) 8.600 17.836 ( 5.873 0.000 -4.361) 7.315 18.018 ( 4.022 0.000 5.934) 7.168 18.140 ( 2.097 0.000 4.439) 4.910 18.258 ( 4.793 0.000 5.536) 7.323 18.663 ( -5.148 0.000 -2.872) 5.895 18.996 ( 2.157 0.000 -0.713) 2.272 19.068 ( 4.407 0.000 0.990) 4.517 19.291 ( -0.069 0.000 0.269) 0.278 19.411 ( -0.402 0.000 -1.391) 1.448 19.489 ( -3.535 0.000 2.351) 4.246 19.819 ( 0.048 0.000 -0.051) 0.070 19.846 ( 1.397 0.000 0.445) 1.466 20.033 ( -10.158 0.000 -11.645) 15.452 20.641 ( 6.429 0.000 1.072) 6.517 20.748 ( 4.257 0.000 -3.470) 5.492 20.955 ( 0.215 0.000 4.331) 4.336 21.160 ( -2.718 0.000 -1.383) 3.049 21.226 ( -0.899 0.000 1.817) 2.027 21.550 ( -3.223 0.000 -8.476) 9.068 21.996 ( -0.486 0.000 6.722) 6.740 22.218 ( -1.791 0.000 -1.070) 2.086 22.402 ( -0.043 0.000 4.225) 4.226 22.709 ( -5.647 0.000 -4.099) 6.978 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 10.113 0.000 4.877) 11.228 2.077 ( -1.460 0.000 3.953) 4.214 2.170 ( 15.741 0.000 2.807) 15.989 2.454 ( 4.249 0.000 -0.383) 4.266 2.528 ( -4.680 0.000 -5.765) 7.426 2.648 ( 0.420 0.000 -1.018) 1.101 2.679 ( 2.569 0.000 -3.317) 4.196 2.743 ( -5.257 0.000 -3.804) 6.488 2.780 ( -3.675 0.000 1.773) 4.080 2.787 ( -5.168 0.000 3.774) 6.399 2.957 ( -6.387 0.000 -3.861) 7.463 2.995 ( -7.444 0.000 3.675) 8.301 3.055 ( 2.204 0.000 -0.097) 2.206 3.182 ( -2.880 0.000 -2.828) 4.037 3.276 ( -0.313 0.000 -4.686) 4.696 3.378 ( -1.867 0.000 -4.096) 4.501 3.529 ( 0.210 0.000 5.926) 5.930 3.642 ( -4.321 0.000 1.379) 4.535 3.844 ( 6.808 0.000 1.142) 6.903 3.906 ( 3.082 0.000 -3.891) 4.963 4.138 ( 21.400 0.000 4.144) 21.798 4.327 ( 2.084 0.000 2.132) 2.981 4.466 ( 0.366 0.000 0.135) 0.390 4.656 ( -1.073 0.000 -2.999) 3.185 4.767 ( -2.580 0.000 1.031) 2.779 4.845 ( -2.665 0.000 -0.682) 2.751 5.218 ( 1.897 0.000 3.298) 3.805 5.256 ( -0.962 0.000 5.729) 5.809 5.365 ( 2.484 0.000 -0.856) 2.627 5.385 ( 2.856 0.000 -2.003) 3.489 5.590 ( 3.475 0.000 -0.908) 3.591 5.727 ( -0.887 0.000 -2.645) 2.789 5.826 ( -1.824 0.000 2.365) 2.987 5.990 ( -6.067 0.000 -0.593) 6.096 6.183 ( 0.340 0.000 1.085) 1.137 6.241 ( -3.588 0.000 0.147) 3.591 6.468 ( 1.633 0.000 0.329) 1.666 6.527 ( 0.560 0.000 -2.394) 2.459 6.548 ( 3.031 0.000 0.682) 3.107 6.594 ( 2.247 0.000 -0.968) 2.446 7.466 ( 1.642 0.000 1.448) 2.189 7.529 ( -2.086 0.000 0.675) 2.192 7.789 ( 2.453 0.000 1.870) 3.084 7.820 ( -1.894 0.000 0.053) 1.895 7.986 ( -1.091 0.000 3.692) 3.850 8.100 ( -0.980 0.000 0.902) 1.332 8.163 ( -5.238 0.000 -1.269) 5.390 8.275 ( -7.124 0.000 -1.730) 7.331 8.500 ( 4.375 0.000 3.326) 5.496 8.698 ( -3.998 0.000 -0.705) 4.060 9.131 ( -1.340 0.000 -1.446) 1.971 9.149 ( -2.115 0.000 -1.196) 2.430 9.548 ( 0.111 0.000 -0.593) 0.603 9.641 ( -0.862 0.000 -1.350) 1.602 9.663 ( -0.316 0.000 -0.006) 0.316 9.781 ( -1.689 0.000 -2.881) 3.340 10.412 ( 4.960 0.000 2.752) 5.673 10.497 ( 1.259 0.000 1.339) 1.838 10.761 ( 3.892 0.000 -3.519) 5.247 10.803 ( 1.729 0.000 -4.233) 4.572 11.357 ( 4.200 0.000 3.136) 5.242 11.401 ( 2.637 0.000 3.089) 4.061 11.911 ( 3.541 0.000 -4.328) 5.592 11.971 ( 0.668 0.000 -5.072) 5.115 12.532 ( 1.626 0.000 9.170) 9.313 12.604 ( -0.115 0.000 4.731) 4.732 12.757 ( 2.108 0.000 -0.550) 2.178 13.016 ( -7.649 0.000 -2.973) 8.206 13.299 ( 5.380 0.000 0.785) 5.437 13.437 ( 1.838 0.000 -2.340) 2.976 14.204 ( 7.084 0.000 3.741) 8.011 14.365 ( -1.126 0.000 1.056) 1.544 14.657 ( -0.962 0.000 1.041) 1.417 14.677 ( 2.240 0.000 -0.385) 2.273 14.743 ( -3.136 0.000 2.326) 3.904 14.906 ( -5.419 0.000 -0.059) 5.419 15.190 ( 0.600 0.000 0.849) 1.039 15.327 ( -7.695 0.000 1.297) 7.803 15.571 ( 3.327 0.000 -1.283) 3.566 15.853 ( -10.233 0.000 -8.708) 13.437 16.755 ( 2.647 0.000 1.383) 2.987 16.799 ( 0.237 0.000 2.589) 2.600 17.025 ( 6.058 0.000 1.251) 6.185 17.320 ( -7.269 0.000 -4.312) 8.451 17.822 ( 5.430 0.000 -3.879) 6.673 17.917 ( 1.803 0.000 -3.949) 4.341 18.119 ( 5.963 0.000 5.285) 7.968 18.235 ( 6.887 0.000 2.684) 7.391 18.313 ( -0.002 0.000 4.891) 4.891 18.534 ( -7.363 0.000 -1.331) 7.482 19.024 ( 1.267 0.000 0.999) 1.614 19.101 ( -0.893 0.000 2.981) 3.112 19.328 ( 3.865 0.000 -1.278) 4.071 19.421 ( 0.295 0.000 -0.028) 0.296 19.440 ( 0.187 0.000 -0.086) 0.206 19.743 ( -10.379 0.000 -4.198) 11.196 19.871 ( 1.107 0.000 0.070) 1.110 19.893 ( -1.161 0.000 -1.371) 1.796 20.747 ( 4.378 0.000 -3.857) 5.835 20.818 ( 2.085 0.000 -2.845) 3.527 20.963 ( 1.274 0.000 4.146) 4.337 21.093 ( -3.867 0.000 -0.920) 3.975 21.251 ( 3.082 0.000 1.281) 3.337 21.454 ( -6.087 0.000 -4.594) 7.626 22.028 ( 3.147 0.000 4.195) 5.244 22.166 ( -3.319 0.000 0.488) 3.354 22.424 ( 2.400 0.000 1.426) 2.792 22.599 ( -5.655 0.000 -2.626) 6.235 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -0.706 0.000 3.219) 3.295 2.055 ( 0.706 0.000 3.219) 3.295 2.436 ( -8.509 0.000 -2.785) 8.953 2.436 ( 8.509 0.000 -2.785) 8.953 2.553 ( -5.920 0.000 -0.825) 5.977 2.553 ( 5.920 0.000 -0.825) 5.977 2.705 ( -1.794 0.000 3.356) 3.806 2.705 ( 1.794 0.000 3.356) 3.806 2.767 ( -0.172 0.000 1.101) 1.114 2.767 ( 0.172 0.000 1.101) 1.114 2.863 ( -3.284 0.000 -1.663) 3.681 2.863 ( 3.284 0.000 -1.663) 3.681 3.123 ( -3.345 0.000 -2.350) 4.088 3.123 ( 3.345 0.000 -2.350) 4.088 3.310 ( -3.818 0.000 -5.592) 6.771 3.310 ( 3.818 0.000 -5.592) 6.771 3.560 ( -3.311 0.000 3.432) 4.768 3.560 ( 3.311 0.000 3.432) 4.768 3.927 ( -1.300 0.000 -2.985) 3.256 3.927 ( 1.300 0.000 -2.985) 3.256 4.359 ( -0.419 0.000 0.968) 1.055 4.359 ( 0.419 0.000 0.968) 1.055 4.600 ( -8.642 0.000 2.803) 9.086 4.600 ( 8.642 0.000 2.803) 9.086 4.742 ( -3.963 0.000 2.486) 4.678 4.742 ( 3.963 0.000 2.486) 4.678 5.233 ( -0.619 0.000 3.555) 3.608 5.233 ( 0.619 0.000 3.555) 3.608 5.412 ( -1.068 0.000 -0.817) 1.345 5.412 ( 1.068 0.000 -0.817) 1.345 5.668 ( -4.358 0.000 -2.836) 5.200 5.668 ( 4.358 0.000 -2.836) 5.200 5.860 ( -5.271 0.000 0.201) 5.275 5.860 ( 5.271 0.000 0.201) 5.275 6.203 ( -1.339 0.000 0.429) 1.406 6.203 ( 1.339 0.000 0.429) 1.406 6.503 ( -1.745 0.000 -0.979) 2.001 6.503 ( 1.745 0.000 -0.979) 2.001 6.602 ( -1.337 0.000 -0.183) 1.349 6.602 ( 1.337 0.000 -0.183) 1.349 7.494 ( -1.483 0.000 1.544) 2.140 7.494 ( 1.483 0.000 1.544) 2.140 7.809 ( -0.147 0.000 1.562) 1.569 7.809 ( 0.147 0.000 1.562) 1.569 8.021 ( -4.471 0.000 0.645) 4.518 8.021 ( 4.471 0.000 0.645) 4.518 8.169 ( -3.710 0.000 -0.623) 3.762 8.169 ( 3.710 0.000 -0.623) 3.762 8.600 ( -5.568 0.000 1.442) 5.751 8.600 ( 5.568 0.000 1.442) 5.751 9.123 ( -0.482 0.000 -1.034) 1.141 9.123 ( 0.482 0.000 -1.034) 1.141 9.576 ( -2.800 0.000 -1.251) 3.067 9.576 ( 2.800 0.000 -1.251) 3.067 9.728 ( -3.621 0.000 -1.836) 4.060 9.728 ( 3.621 0.000 -1.836) 4.060 10.485 ( -2.388 0.000 2.187) 3.238 10.485 ( 2.388 0.000 2.187) 3.238 10.810 ( -1.068 0.000 -3.768) 3.916 10.810 ( 1.068 0.000 -3.768) 3.916 11.412 ( -1.311 0.000 3.528) 3.763 11.412 ( 1.311 0.000 3.528) 3.763 11.961 ( -1.596 0.000 -4.667) 4.933 11.961 ( 1.596 0.000 -4.667) 4.933 12.574 ( -2.312 0.000 5.731) 6.180 12.574 ( 2.312 0.000 5.731) 6.180 12.857 ( -7.376 0.000 -1.548) 7.537 12.857 ( 7.376 0.000 -1.548) 7.537 13.414 ( -4.310 0.000 -0.742) 4.373 13.414 ( 4.310 0.000 -0.742) 4.373 14.319 ( -4.072 0.000 2.523) 4.790 14.319 ( 4.072 0.000 2.523) 4.790 14.655 ( -2.011 0.000 2.302) 3.057 14.655 ( 2.011 0.000 2.302) 3.057 14.792 ( -5.824 0.000 -0.733) 5.870 14.792 ( 5.824 0.000 -0.733) 5.870 15.224 ( -3.181 0.000 1.488) 3.512 15.224 ( 3.181 0.000 1.488) 3.512 15.678 ( -7.502 0.000 -5.321) 9.198 15.678 ( 7.502 0.000 -5.321) 9.198 16.789 ( -1.048 0.000 2.944) 3.125 16.789 ( 1.048 0.000 2.944) 3.125 17.169 ( -7.976 0.000 -2.510) 8.361 17.169 ( 7.976 0.000 -2.510) 8.361 17.905 ( -2.791 0.000 -3.650) 4.595 17.905 ( 2.791 0.000 -3.650) 4.595 18.238 ( -5.683 0.000 4.271) 7.109 18.238 ( 5.683 0.000 4.271) 7.109 18.391 ( -7.482 0.000 0.565) 7.504 18.391 ( 7.482 0.000 0.565) 7.504 19.060 ( -2.445 0.000 3.183) 4.014 19.060 ( 2.445 0.000 3.183) 4.014 19.398 ( -2.159 0.000 -1.701) 2.749 19.398 ( 2.159 0.000 -1.701) 2.749 19.535 ( -8.991 0.000 -1.852) 9.180 19.535 ( 8.991 0.000 -1.852) 9.180 19.888 ( -0.482 0.000 0.253) 0.544 19.888 ( 0.482 0.000 0.253) 0.544 20.813 ( -2.211 0.000 -4.541) 5.050 20.813 ( 2.211 0.000 -4.541) 5.050 21.016 ( -3.793 0.000 2.186) 4.378 21.016 ( 3.793 0.000 2.186) 4.378 21.337 ( -5.519 0.000 -1.170) 5.641 21.337 ( 5.519 0.000 -1.170) 5.641 22.097 ( -3.674 0.000 2.114) 4.239 22.097 ( 3.674 0.000 2.114) 4.239 22.495 ( -4.761 0.000 -0.748) 4.820 22.495 ( 4.761 0.000 -0.748) 4.820 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 20.803 19.685) 28.640 0.850 ( 0.000 20.021 22.605) 30.196 1.445 ( 0.000 31.972 36.678) 48.657 2.079 ( 0.000 6.026 -15.232) 16.381 2.246 ( 0.000 -10.269 11.367) 15.319 2.288 ( 0.000 6.096 -15.381) 16.545 2.492 ( 0.000 -12.587 4.141) 13.251 2.717 ( 0.000 -1.177 0.076) 1.180 2.781 ( 0.000 2.050 2.165) 2.981 2.903 ( 0.000 -1.103 1.027) 1.508 2.971 ( 0.000 3.081 -2.192) 3.781 3.000 ( 0.000 -6.300 0.998) 6.378 3.260 ( 0.000 -2.371 5.989) 6.441 3.327 ( 0.000 1.725 -2.240) 2.828 3.366 ( 0.000 -1.172 1.406) 1.830 3.416 ( 0.000 1.335 0.859) 1.588 3.500 ( 0.000 3.778 3.012) 4.832 3.797 ( 0.000 -0.020 2.564) 2.564 3.892 ( 0.000 -7.383 -2.178) 7.698 3.929 ( 0.000 -0.684 -6.777) 6.811 4.103 ( 0.000 1.120 -11.956) 12.008 4.221 ( 0.000 -5.260 -10.572) 11.808 4.478 ( 0.000 -9.367 -4.344) 10.325 4.773 ( 0.000 -6.324 -4.506) 7.766 4.847 ( 0.000 -0.713 5.162) 5.211 4.981 ( 0.000 8.243 2.000) 8.482 5.023 ( 0.000 3.329 3.436) 4.784 5.251 ( 0.000 6.603 -3.547) 7.495 5.375 ( 0.000 6.449 -6.119) 8.890 5.448 ( 0.000 10.740 -6.721) 12.670 5.572 ( 0.000 -3.441 1.999) 3.980 5.636 ( 0.000 0.770 1.527) 1.710 5.714 ( 0.000 5.594 -1.760) 5.865 5.815 ( 0.000 4.249 0.606) 4.292 5.923 ( 0.000 -4.515 3.730) 5.856 6.099 ( 0.000 -0.458 -0.805) 0.926 6.328 ( 0.000 -2.691 -1.361) 3.015 6.437 ( 0.000 -1.205 -0.460) 1.290 6.550 ( 0.000 -5.484 7.814) 9.546 6.729 ( 0.000 -8.872 5.058) 10.213 7.402 ( 0.000 4.498 0.879) 4.583 7.554 ( 0.000 1.695 -3.288) 3.699 7.908 ( 0.000 -2.186 2.507) 3.326 7.969 ( 0.000 2.091 -0.701) 2.205 8.169 ( 0.000 -3.354 0.550) 3.399 8.225 ( 0.000 -2.417 0.574) 2.484 8.351 ( 0.000 -0.253 4.866) 4.873 8.530 ( 0.000 0.522 0.478) 0.708 8.759 ( 0.000 -8.212 0.278) 8.216 9.058 ( 0.000 3.421 -5.368) 6.366 9.112 ( 0.000 -3.263 1.126) 3.452 9.223 ( 0.000 -0.157 -0.751) 0.768 9.641 ( 0.000 1.131 1.950) 2.254 9.690 ( 0.000 0.749 -1.013) 1.260 9.800 ( 0.000 -0.754 0.119) 0.763 9.816 ( 0.000 0.258 0.003) 0.258 10.145 ( 0.000 -1.962 -1.884) 2.720 10.248 ( 0.000 -2.784 -1.556) 3.189 10.308 ( 0.000 1.921 -2.782) 3.380 10.352 ( 0.000 1.119 -0.993) 1.496 10.851 ( 0.000 11.155 -3.240) 11.617 10.943 ( 0.000 6.294 -1.587) 6.491 11.411 ( 0.000 -4.474 2.150) 4.963 11.648 ( 0.000 -6.879 -2.955) 7.487 12.473 ( 0.000 -5.460 9.081) 10.596 12.713 ( 0.000 -17.642 18.920) 25.869 12.905 ( 0.000 0.764 -1.189) 1.414 13.064 ( 0.000 -2.781 -0.344) 2.802 13.339 ( 0.000 -0.992 10.239) 10.287 13.725 ( 0.000 -1.978 0.771) 2.123 14.102 ( 0.000 6.766 -10.916) 12.843 14.188 ( 0.000 1.646 -8.310) 8.471 14.629 ( 0.000 -0.741 4.819) 4.875 14.934 ( 0.000 5.820 -2.448) 6.313 15.001 ( 0.000 1.451 6.320) 6.484 15.265 ( 0.000 2.301 0.342) 2.326 15.317 ( 0.000 -0.709 -1.081) 1.293 15.447 ( 0.000 -0.272 -2.374) 2.390 16.092 ( 0.000 2.627 2.230) 3.445 16.288 ( 0.000 -0.068 -3.105) 3.105 16.523 ( 0.000 -2.536 -2.274) 3.406 16.686 ( 0.000 -0.222 -3.874) 3.881 17.084 ( 0.000 -12.058 6.214) 13.565 17.176 ( 0.000 -4.693 2.466) 5.301 17.413 ( 0.000 6.671 1.099) 6.760 17.517 ( 0.000 1.376 0.339) 1.417 17.926 ( 0.000 -6.143 3.642) 7.142 18.074 ( 0.000 -8.488 -3.036) 9.014 18.295 ( 0.000 2.462 5.849) 6.346 18.633 ( 0.000 2.062 -3.924) 4.432 18.793 ( 0.000 3.220 1.170) 3.426 18.880 ( 0.000 4.176 -0.497) 4.205 19.366 ( 0.000 -1.310 0.275) 1.338 19.444 ( 0.000 1.740 -0.493) 1.809 19.503 ( 0.000 -1.327 -1.417) 1.941 19.526 ( 0.000 4.095 -4.055) 5.762 19.883 ( 0.000 2.747 0.084) 2.749 20.156 ( 0.000 19.744 -15.298) 24.977 20.519 ( 0.000 2.148 -2.448) 3.257 20.690 ( 0.000 3.785 -3.027) 4.847 20.902 ( 0.000 8.952 3.479) 9.605 21.313 ( 0.000 0.558 0.147) 0.577 21.422 ( 0.000 0.019 -3.988) 3.988 21.489 ( 0.000 1.154 -6.931) 7.027 22.133 ( 0.000 -2.439 1.665) 2.953 22.186 ( 0.000 -5.084 3.614) 6.238 22.645 ( 0.000 -6.868 7.222) 9.967 22.815 ( 0.000 -3.215 -0.607) 3.272 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.910 14.496 16.842) 26.760 1.056 ( 15.550 13.986 20.586) 29.345 1.755 ( 27.686 24.484 25.741) 45.040 2.145 ( 5.788 4.033 -14.625) 16.238 2.260 ( 2.469 -6.291 9.088) 11.325 2.323 ( 2.629 4.612 -10.017) 11.337 2.543 ( 4.494 -12.185 2.782) 13.282 2.750 ( 3.169 0.419 -0.588) 3.250 2.786 ( 0.365 -0.155 1.413) 1.467 2.899 ( -0.694 -1.657 -0.149) 1.803 2.970 ( 0.067 2.636 -3.165) 4.120 3.008 ( 1.112 -4.528 2.113) 5.119 3.226 ( -2.605 -2.157 5.857) 6.763 3.290 ( -2.383 2.283 -0.566) 3.348 3.354 ( -1.740 0.242 -0.540) 1.838 3.431 ( 0.287 -1.016 0.700) 1.267 3.510 ( 0.851 4.708 3.099) 5.700 3.742 ( -4.589 0.119 1.924) 4.978 3.877 ( -1.239 -5.602 -4.169) 7.092 3.931 ( -0.778 -2.768 -4.550) 5.382 4.044 ( -5.789 -0.724 -6.939) 9.066 4.234 ( 1.539 -1.585 -12.226) 12.424 4.461 ( -1.712 -6.232 -3.878) 7.537 4.744 ( -3.698 -4.028 0.475) 5.489 4.816 ( 0.302 -1.965 -1.363) 2.410 5.023 ( 1.093 2.952 4.128) 5.191 5.076 ( 5.018 4.588 0.166) 6.801 5.227 ( -6.992 4.210 -4.349) 9.248 5.295 ( -0.613 11.085 -1.983) 11.278 5.384 ( -1.503 6.031 -0.430) 6.230 5.564 ( -1.330 1.299 5.264) 5.583 5.655 ( 2.828 1.594 -0.858) 3.358 5.804 ( 2.975 0.472 -1.583) 3.403 5.895 ( 6.824 1.369 -2.723) 7.474 6.018 ( 8.032 -3.105 0.846) 8.652 6.145 ( 4.484 -1.005 -0.759) 4.658 6.301 ( -2.419 -0.895 2.205) 3.394 6.447 ( 1.019 -2.184 0.239) 2.422 6.536 ( -1.776 -3.864 4.790) 6.406 6.690 ( -3.932 -9.478 2.777) 10.630 7.398 ( -0.193 3.578 1.077) 3.741 7.565 ( 0.975 2.093 -3.471) 4.169 7.878 ( -2.932 -1.614 3.239) 4.658 7.964 ( -0.479 1.713 -0.937) 2.010 8.130 ( -3.160 -0.594 1.514) 3.554 8.202 ( -1.790 -0.339 0.491) 1.886 8.346 ( -0.006 -1.757 4.805) 5.116 8.583 ( 3.429 0.781 -0.204) 3.523 8.645 ( -8.685 -7.000 -0.191) 11.156 8.920 ( -9.941 3.820 -3.934) 11.353 9.114 ( -0.805 -6.229 1.873) 6.554 9.276 ( 1.075 -3.678 -1.840) 4.251 9.569 ( -0.939 -0.730 2.857) 3.095 9.733 ( -0.077 0.633 -0.396) 0.750 9.792 ( -0.378 2.197 -1.564) 2.723 9.874 ( 2.583 1.190 -1.280) 3.119 10.167 ( 0.895 -0.183 -1.585) 1.829 10.238 ( 1.153 0.887 0.326) 1.491 10.381 ( 6.979 -0.566 -4.163) 8.146 10.450 ( 7.598 -2.440 -3.894) 8.879 10.942 ( 8.750 9.200 -1.547) 12.790 11.009 ( 6.234 5.817 -0.930) 8.577 11.505 ( 8.053 -3.589 -1.515) 8.946 11.696 ( 4.542 -6.132 -3.610) 8.442 12.477 ( 0.418 -5.380 9.201) 10.666 12.647 ( -5.261 -11.971 20.196) 24.059 12.908 ( -0.408 0.742 -0.756) 1.135 13.046 ( -2.542 -1.778 1.312) 3.368 13.267 ( -2.293 8.860 6.080) 10.987 13.726 ( -1.491 -0.040 0.232) 1.509 14.089 ( -6.991 0.206 -7.128) 9.986 14.131 ( 2.439 -0.718 -8.497) 8.870 14.629 ( -1.230 0.260 5.278) 5.426 14.794 ( -5.094 4.494 1.759) 7.017 14.983 ( -2.349 4.422 2.804) 5.739 15.197 ( -5.497 1.019 -1.552) 5.802 15.385 ( 0.046 -1.896 1.809) 2.621 15.459 ( 1.824 -0.573 -0.825) 2.082 15.992 ( -9.377 4.463 2.248) 10.625 16.303 ( 1.786 0.082 -3.238) 3.699 16.518 ( 1.486 -2.665 -3.154) 4.389 16.653 ( -3.427 0.494 -4.985) 6.070 17.099 ( -1.442 -8.409 7.001) 11.036 17.247 ( 4.996 -7.238 0.702) 8.823 17.510 ( 4.629 1.655 -1.794) 5.233 17.570 ( 8.103 2.822 -1.470) 8.705 17.939 ( 1.308 -4.863 3.805) 6.312 18.100 ( 0.931 -5.576 -1.610) 5.878 18.271 ( -1.151 5.849 4.076) 7.221 18.669 ( 2.891 0.464 -5.437) 6.175 18.816 ( 2.552 0.168 2.045) 3.275 18.905 ( 2.171 3.366 -0.480) 4.034 19.320 ( -2.012 0.153 0.811) 2.174 19.420 ( -0.241 -1.085 -0.869) 1.411 19.509 ( 0.052 -1.353 -0.737) 1.541 19.632 ( 4.575 -6.434 -2.975) 8.437 19.898 ( 1.523 4.648 0.705) 4.942 20.214 ( 3.745 11.348 -11.154) 16.346 20.518 ( 0.101 2.350 -3.139) 3.922 20.703 ( 0.844 4.181 -5.035) 6.599 20.925 ( 2.154 7.097 2.977) 7.992 21.260 ( -3.604 0.384 3.265) 4.878 21.398 ( -3.906 1.031 -4.917) 6.364 21.519 ( 2.887 -0.136 -8.437) 8.918 22.119 ( -2.840 -2.407 3.011) 4.788 22.169 ( -0.301 -5.284 3.800) 6.515 22.540 ( -5.642 1.263 8.070) 9.927 22.839 ( -0.559 -4.708 -3.401) 5.835 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 22.072 6.019 10.707) 25.260 1.399 ( 19.010 9.603 14.869) 25.975 2.200 ( 6.809 -1.771 -3.317) 7.778 2.261 ( 4.923 0.915 0.517) 5.034 2.353 ( 5.848 -0.106 1.328) 5.998 2.500 ( 22.670 11.274 5.580) 25.926 2.627 ( 3.853 -9.683 1.554) 10.537 2.751 ( -1.935 0.829 0.939) 2.305 2.836 ( -0.470 -3.986 -3.796) 5.525 2.898 ( 4.075 -0.390 -0.106) 4.095 2.962 ( -1.010 1.234 -4.453) 4.730 3.056 ( 3.866 1.155 0.515) 4.067 3.187 ( -1.246 -1.278 4.948) 5.260 3.228 ( -4.141 0.383 0.844) 4.243 3.314 ( -2.160 1.223 -2.064) 3.228 3.406 ( -2.945 1.226 0.976) 3.336 3.518 ( -0.421 3.772 1.126) 3.959 3.653 ( -3.785 0.229 3.828) 5.389 3.838 ( -2.961 -3.554 -3.021) 5.525 3.884 ( -3.814 -1.685 -2.518) 4.871 3.932 ( -4.045 -3.679 -3.737) 6.623 4.278 ( 2.641 4.182 -8.361) 9.715 4.428 ( -0.727 -3.916 -2.709) 4.817 4.663 ( -3.584 -2.431 -0.844) 4.412 4.859 ( 2.269 -0.228 -3.477) 4.158 4.987 ( -3.115 -0.165 1.638) 3.524 5.096 ( -3.597 1.968 -1.613) 4.406 5.189 ( 4.220 5.451 0.153) 6.896 5.328 ( 3.148 8.513 -1.807) 9.254 5.396 ( 0.581 1.321 2.365) 2.770 5.527 ( -0.749 4.676 5.654) 7.375 5.715 ( 2.590 2.053 -3.012) 4.471 5.859 ( 2.250 -0.229 1.457) 2.690 5.992 ( 3.334 0.415 -2.660) 4.285 6.184 ( 7.308 -3.471 0.792) 8.130 6.249 ( 1.836 -0.150 2.634) 3.215 6.269 ( 4.485 -3.056 1.258) 5.571 6.448 ( -2.570 -4.467 2.834) 5.882 6.496 ( -1.023 -2.616 -0.283) 2.823 6.594 ( -4.875 -5.624 -0.522) 7.461 7.403 ( 0.860 2.078 1.419) 2.659 7.588 ( 1.212 2.412 -3.592) 4.493 7.808 ( -3.619 0.308 4.524) 5.802 7.944 ( -1.861 0.889 -1.395) 2.490 8.078 ( -2.027 1.392 2.038) 3.194 8.160 ( -2.792 -0.096 1.446) 3.146 8.353 ( 0.066 -2.787 3.289) 4.312 8.459 ( -8.050 -2.850 0.920) 8.589 8.614 ( -4.473 -2.108 -2.191) 5.409 8.761 ( -3.675 2.963 -2.731) 5.453 9.084 ( -1.715 -9.034 0.506) 9.209 9.230 ( -4.595 -6.465 -2.098) 8.205 9.579 ( 1.050 0.674 2.198) 2.527 9.703 ( -2.565 4.063 0.133) 4.807 9.797 ( 0.305 0.887 -1.477) 1.749 9.882 ( -1.368 4.030 -2.457) 4.914 10.199 ( 3.788 1.649 2.074) 4.623 10.324 ( 5.846 -0.242 -0.138) 5.852 10.514 ( 6.984 -0.794 -3.233) 7.737 10.599 ( 6.863 -3.988 -5.567) 9.695 11.146 ( 9.743 6.069 0.287) 11.483 11.160 ( 9.806 5.864 0.113) 11.426 11.668 ( 8.055 -2.070 -3.619) 9.069 11.804 ( 5.965 -4.213 -4.894) 8.792 12.486 ( 0.362 -4.724 10.880) 11.867 12.564 ( -2.339 -4.422 15.700) 16.478 12.867 ( -3.626 2.266 -0.481) 4.303 13.010 ( 0.212 0.999 1.416) 1.746 13.302 ( 4.152 6.776 0.361) 7.955 13.624 ( -9.135 4.359 -2.622) 10.456 13.976 ( -1.957 -4.307 -0.569) 4.765 14.219 ( 4.780 -7.139 -6.192) 10.591 14.596 ( -0.643 2.118 4.364) 4.893 14.766 ( -0.173 2.050 -0.620) 2.149 14.914 ( -4.216 4.048 2.131) 6.221 15.092 ( -4.909 0.475 -2.269) 5.429 15.320 ( -5.230 0.801 4.808) 7.149 15.484 ( 0.148 -2.801 1.868) 3.369 15.795 ( -10.217 5.834 0.607) 11.781 16.247 ( -8.376 -3.109 -9.947) 13.370 16.583 ( 4.956 -0.371 -1.519) 5.196 16.651 ( 3.800 0.872 -1.644) 4.231 17.031 ( -4.377 -3.235 8.348) 9.966 17.339 ( 3.749 -9.693 -1.285) 10.472 17.609 ( 6.508 3.642 -1.608) 7.629 17.728 ( 6.655 2.093 -4.887) 8.518 17.977 ( 2.365 -2.028 4.430) 5.415 18.085 ( -1.097 -0.934 2.600) 2.973 18.280 ( 1.836 7.235 3.037) 8.058 18.704 ( -0.227 -1.469 -5.113) 5.324 18.895 ( 5.229 -3.384 1.344) 6.372 18.951 ( 2.435 -0.000 -0.454) 2.477 19.305 ( -0.219 -0.997 0.524) 1.147 19.394 ( -2.174 -1.800 -0.485) 2.863 19.520 ( 0.680 -2.036 0.313) 2.169 19.672 ( 0.458 -9.890 -2.271) 10.158 19.919 ( 0.012 7.528 1.422) 7.661 20.260 ( 0.069 7.284 -9.922) 12.309 20.519 ( 0.989 -1.332 2.682) 3.153 20.729 ( 1.916 4.357 -5.840) 7.534 20.964 ( 1.328 3.148 2.659) 4.330 21.198 ( -2.807 0.491 3.478) 4.497 21.306 ( -4.462 1.325 -2.805) 5.434 21.555 ( 0.186 -1.748 -9.447) 9.609 22.040 ( -3.640 -1.123 6.759) 7.759 22.183 ( 1.002 -3.900 0.922) 4.130 22.472 ( -2.177 4.080 4.613) 6.532 22.785 ( -4.322 -3.093 -4.267) 6.816 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 19.162 4.431 6.114) 20.596 1.778 ( 20.194 4.163 8.987) 22.492 2.201 ( -3.668 1.006 1.696) 4.165 2.327 ( 4.056 -4.245 0.846) 5.932 2.492 ( 7.078 -1.164 -5.004) 8.746 2.615 ( -2.056 -6.027 0.155) 6.370 2.697 ( -3.967 -1.205 -4.001) 5.762 2.755 ( -2.130 -2.497 -1.560) 3.633 2.860 ( 0.322 1.461 -2.136) 2.608 2.939 ( -1.603 0.693 -3.634) 4.032 2.953 ( 0.960 0.316 1.942) 2.189 3.110 ( -3.445 -0.382 -2.160) 4.084 3.161 ( -2.871 1.981 3.586) 5.003 3.232 ( 1.189 1.449 -0.840) 2.054 3.282 ( -0.427 1.962 -1.998) 2.832 3.380 ( 6.235 3.507 4.742) 8.583 3.481 ( -0.005 2.728 3.643) 4.551 3.645 ( 2.704 -0.773 1.655) 3.263 3.768 ( -2.717 -1.576 -0.157) 3.145 3.849 ( 0.474 -0.530 -1.385) 1.557 3.896 ( 2.097 -1.037 -0.337) 2.364 4.318 ( 1.802 4.787 0.126) 5.117 4.451 ( 1.676 -4.043 -0.954) 4.480 4.633 ( 1.065 0.060 -6.937) 7.019 4.834 ( -3.709 2.254 -1.419) 4.566 4.953 ( -3.214 3.457 2.822) 5.500 5.084 ( 4.183 -4.908 -2.710) 6.995 5.259 ( 2.432 2.718 -2.484) 4.413 5.352 ( -1.866 3.480 4.123) 5.709 5.415 ( 2.965 3.646 2.171) 5.177 5.545 ( 1.346 2.246 1.843) 3.202 5.751 ( 1.254 2.977 -2.575) 4.131 5.879 ( -0.020 1.361 2.100) 2.503 6.032 ( 0.380 -0.361 -1.411) 1.505 6.193 ( -1.495 -0.677 3.502) 3.867 6.323 ( -1.960 -2.768 0.104) 3.393 6.379 ( 2.340 -4.525 0.225) 5.099 6.409 ( 5.945 -3.104 1.640) 6.904 6.494 ( 0.889 -2.983 -0.906) 3.242 6.542 ( -0.361 -1.847 -2.183) 2.883 7.432 ( 1.962 1.206 1.784) 2.913 7.598 ( -0.619 2.965 -2.129) 3.702 7.769 ( 0.249 1.373 3.818) 4.065 7.894 ( -2.963 1.481 -1.258) 3.543 8.037 ( -2.823 0.750 2.722) 3.993 8.094 ( -3.241 -2.048 2.394) 4.520 8.270 ( -6.983 -3.517 -0.853) 7.865 8.393 ( -3.269 -2.229 -0.171) 3.960 8.469 ( -4.402 1.055 1.739) 4.850 8.742 ( -0.976 0.172 -2.185) 2.399 9.057 ( -1.101 -9.255 -0.708) 9.347 9.141 ( -3.896 -6.624 -2.071) 7.959 9.604 ( 1.603 3.424 1.025) 3.917 9.655 ( -1.951 4.522 0.610) 4.963 9.783 ( -2.117 2.347 -1.401) 3.458 9.844 ( -1.683 4.772 -2.469) 5.630 10.299 ( 5.689 0.053 2.905) 6.388 10.430 ( 4.529 -0.847 0.515) 4.636 10.646 ( 6.187 -1.548 -3.193) 7.133 10.711 ( 4.642 -3.327 -4.976) 7.575 11.295 ( 6.424 4.710 1.934) 8.198 11.348 ( 7.558 5.136 1.143) 9.209 11.805 ( 5.817 -1.665 -3.794) 7.142 11.905 ( 3.933 -2.723 -5.372) 7.193 12.494 ( 0.893 -2.250 12.227) 12.465 12.565 ( 1.842 -1.884 7.410) 7.865 12.796 ( -3.190 2.268 -0.513) 3.948 13.043 ( 1.785 -0.803 -0.446) 2.007 13.358 ( -1.526 4.266 -1.306) 4.715 13.463 ( -2.252 7.223 -2.891) 8.100 14.011 ( 4.508 -6.201 3.603) 8.471 14.280 ( 1.193 -8.371 -2.105) 8.713 14.620 ( 2.577 1.874 1.230) 3.415 14.741 ( -2.597 2.106 -0.776) 3.432 14.846 ( -2.496 3.459 1.759) 4.614 15.006 ( -4.218 0.375 -1.267) 4.420 15.226 ( -3.353 1.649 4.174) 5.602 15.458 ( -3.295 -3.082 2.066) 4.962 15.616 ( -7.073 5.400 -0.374) 8.906 16.041 ( -11.428 -2.868 -10.296) 15.647 16.683 ( 4.841 0.106 0.320) 4.853 16.751 ( 5.018 -0.062 -0.948) 5.107 16.970 ( -0.877 -0.449 6.888) 6.958 17.363 ( -1.561 -6.984 -3.304) 7.883 17.744 ( 6.160 4.159 -3.636) 8.274 17.828 ( 4.185 -0.429 -4.761) 6.353 18.033 ( 3.874 -0.391 5.919) 7.085 18.102 ( 2.878 -1.246 4.634) 5.596 18.335 ( 3.482 6.882 2.491) 8.106 18.652 ( -4.768 -1.231 -3.161) 5.851 18.976 ( 1.938 -2.880 0.008) 3.471 19.007 ( 3.652 -5.627 1.200) 6.815 19.306 ( 0.696 -0.602 0.141) 0.931 19.359 ( -1.078 -0.727 0.064) 1.301 19.515 ( -1.399 0.753 0.221) 1.604 19.664 ( -1.491 -10.844 -2.429) 11.212 19.918 ( 0.655 8.023 1.367) 8.165 20.188 ( -6.258 10.450 -7.170) 14.134 20.588 ( 5.049 -4.757 2.814) 7.486 20.769 ( 1.863 0.784 -4.036) 4.514 20.977 ( 0.425 1.917 2.817) 3.434 21.148 ( -2.377 0.377 -0.397) 2.440 21.246 ( -1.578 1.135 0.435) 1.992 21.515 ( -4.228 -3.851 -7.300) 9.274 22.011 ( 0.794 1.654 5.919) 6.197 22.194 ( -0.061 -2.095 0.175) 2.103 22.436 ( -1.450 3.040 2.516) 4.204 22.689 ( -5.310 -2.040 -3.753) 6.815 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 9.104 4.176 4.226) 10.871 2.106 ( 0.782 2.703 2.998) 4.111 2.172 ( 13.390 0.418 3.014) 13.732 2.414 ( 4.283 -3.490 0.213) 5.529 2.549 ( -2.184 -0.415 -2.874) 3.633 2.597 ( -2.070 -2.072 -0.734) 3.019 2.635 ( 3.856 -3.332 -3.519) 6.193 2.723 ( -2.330 -1.585 -3.442) 4.448 2.790 ( -4.208 2.311 -0.501) 4.827 2.841 ( -4.767 2.376 0.773) 5.382 2.949 ( -5.086 -0.328 -3.987) 6.471 3.021 ( -4.824 0.545 2.028) 5.261 3.084 ( -2.933 3.170 3.100) 5.316 3.178 ( -3.537 -0.477 -2.754) 4.508 3.273 ( 1.512 1.474 -4.486) 4.958 3.407 ( -1.009 1.262 -1.093) 1.951 3.525 ( -0.499 0.324 2.595) 2.662 3.639 ( -3.989 -0.299 2.229) 4.579 3.825 ( 5.320 -2.245 0.944) 5.851 3.873 ( 1.493 -3.433 -3.044) 4.826 4.146 ( 19.864 1.280 3.135) 20.151 4.364 ( 3.111 3.879 3.409) 6.029 4.462 ( 0.402 -1.057 1.051) 1.544 4.668 ( 0.130 0.570 -5.023) 5.057 4.764 ( -2.435 1.399 0.443) 2.843 4.874 ( -4.822 1.985 2.761) 5.900 5.177 ( 3.705 -3.192 0.554) 4.922 5.264 ( -1.866 -2.935 0.602) 3.530 5.346 ( 2.032 3.828 0.998) 4.448 5.449 ( -0.621 3.380 1.337) 3.687 5.573 ( 2.972 -1.042 -0.334) 3.167 5.756 ( -1.510 1.608 -2.913) 3.654 5.879 ( 0.575 5.305 1.462) 5.533 5.987 ( -4.396 0.295 -0.322) 4.417 6.189 ( 1.081 0.870 1.409) 1.978 6.255 ( -2.341 1.621 0.252) 2.859 6.428 ( 1.749 -4.627 -0.945) 5.036 6.475 ( 0.176 -4.310 -1.807) 4.676 6.544 ( 3.388 -2.272 0.227) 4.086 6.566 ( 1.989 -1.866 0.050) 2.728 7.473 ( 2.195 1.438 2.037) 3.321 7.564 ( -2.501 3.407 0.359) 4.242 7.809 ( 2.614 1.595 1.507) 3.413 7.844 ( -1.605 2.250 0.088) 2.765 7.970 ( -2.633 -1.700 3.188) 4.471 8.054 ( -1.712 -4.158 0.706) 4.551 8.152 ( -4.218 -1.624 -0.492) 4.546 8.252 ( -7.291 -2.390 -1.558) 7.830 8.504 ( 4.342 0.983 2.838) 5.279 8.695 ( -3.841 -0.054 -0.884) 3.942 9.043 ( -0.211 -7.817 -1.169) 7.907 9.083 ( -2.239 -6.388 -1.802) 7.004 9.618 ( -0.086 6.514 0.070) 6.514 9.655 ( 1.080 2.562 -0.844) 2.906 9.733 ( -1.465 4.994 -0.205) 5.209 9.815 ( -1.870 3.285 -2.560) 4.565 10.402 ( 4.661 -1.022 2.842) 5.554 10.486 ( 1.080 -1.388 1.603) 2.379 10.744 ( 3.809 -1.743 -3.509) 5.464 10.778 ( 2.117 -2.564 -4.528) 5.618 11.396 ( 3.918 4.115 2.828) 6.347 11.441 ( 2.229 4.153 2.492) 5.331 11.893 ( 3.342 -1.945 -3.986) 5.553 11.949 ( 0.699 -2.359 -4.879) 5.464 12.528 ( 2.444 -0.253 8.422) 8.773 12.601 ( 0.762 -0.447 4.976) 5.054 12.767 ( 1.156 1.160 -0.563) 1.731 12.993 ( -6.860 -2.253 -2.722) 7.716 13.362 ( 4.801 6.247 0.758) 7.915 13.494 ( 1.360 5.728 -2.364) 6.344 14.119 ( 5.904 -8.024 3.654) 10.611 14.273 ( -1.618 -8.627 0.447) 8.789 14.667 ( 1.199 0.754 0.825) 1.639 14.698 ( -0.535 2.629 1.003) 2.864 14.805 ( -1.668 4.712 0.535) 5.027 14.918 ( -4.787 1.019 -0.200) 4.899 15.205 ( 0.763 1.612 1.753) 2.501 15.349 ( -6.497 1.827 1.353) 6.884 15.565 ( 1.633 -0.271 -1.253) 2.076 15.828 ( -10.117 -2.527 -8.041) 13.168 16.759 ( 2.846 0.333 1.575) 3.270 16.804 ( 0.559 0.346 2.878) 2.952 17.024 ( 5.934 0.061 0.741) 5.981 17.288 ( -5.674 -3.520 -3.625) 7.598 17.825 ( 3.017 1.559 -3.135) 4.622 17.893 ( 1.448 -2.040 -3.449) 4.261 18.132 ( 5.782 -2.090 4.093) 7.386 18.177 ( 3.970 -1.678 3.770) 5.726 18.395 ( 2.337 6.611 1.656) 7.205 18.543 ( -5.770 1.110 -1.544) 6.075 18.999 ( 1.156 -3.583 1.293) 3.981 19.053 ( 0.507 -5.348 2.784) 6.051 19.342 ( 2.762 -2.127 -0.651) 3.547 19.360 ( 1.330 1.004 -0.863) 1.877 19.476 ( -2.022 1.765 0.031) 2.685 19.599 ( -5.273 -8.567 -2.706) 10.418 19.950 ( 2.397 8.110 0.947) 8.510 20.074 ( -4.755 11.859 -2.286) 12.980 20.680 ( 4.257 -6.226 -0.894) 7.595 20.787 ( -0.363 -3.588 -2.835) 4.587 20.996 ( 1.781 2.773 1.930) 3.819 21.101 ( -2.675 1.188 -1.320) 3.211 21.246 ( 1.538 -0.671 0.835) 1.874 21.409 ( -5.933 -4.459 -3.883) 8.376 22.057 ( 3.394 2.886 3.835) 5.878 22.176 ( -1.858 0.890 0.909) 2.251 22.429 ( 1.160 0.572 0.835) 1.540 22.583 ( -5.479 -1.623 -2.557) 6.260 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.522 3.600 2.621) 4.484 2.091 ( 0.522 3.600 2.621) 4.484 2.424 ( -7.928 -1.220 -2.178) 8.312 2.424 ( 7.928 -1.220 -2.178) 8.312 2.543 ( -3.947 -0.726 -0.110) 4.015 2.543 ( 3.947 -0.726 -0.110) 4.015 2.685 ( -2.839 -1.561 0.857) 3.351 2.685 ( 2.839 -1.561 0.857) 3.351 2.783 ( -2.412 0.887 -1.168) 2.823 2.783 ( 2.412 0.887 -1.168) 2.823 2.893 ( -4.900 2.193 0.184) 5.371 2.893 ( 4.900 2.193 0.184) 5.371 3.109 ( -3.252 0.067 -0.681) 3.323 3.109 ( 3.252 0.067 -0.681) 3.323 3.341 ( -4.711 2.235 -4.775) 7.070 3.341 ( 4.711 2.235 -4.775) 7.070 3.558 ( -3.719 0.047 3.108) 4.847 3.558 ( 3.719 0.047 3.108) 4.847 3.885 ( -0.882 -4.116 -2.268) 4.782 3.885 ( 0.882 -4.116 -2.268) 4.782 4.375 ( -4.061 0.861 1.365) 4.370 4.375 ( 4.061 0.861 1.365) 4.370 4.591 ( -9.720 -0.630 1.840) 9.913 4.591 ( 9.720 -0.630 1.840) 9.913 4.765 ( -3.726 2.765 2.537) 5.288 4.765 ( 3.726 2.765 2.537) 5.288 5.227 ( -1.956 -2.092 1.088) 3.064 5.227 ( 1.956 -2.092 1.088) 3.064 5.400 ( -3.208 0.784 1.164) 3.502 5.400 ( 3.208 0.784 1.164) 3.502 5.675 ( -6.118 -0.139 -2.849) 6.751 5.675 ( 6.118 -0.139 -2.849) 6.751 5.911 ( -2.786 5.131 0.088) 5.839 5.911 ( 2.786 5.131 0.088) 5.839 6.220 ( -1.771 1.971 0.816) 2.772 6.220 ( 1.771 1.971 0.816) 2.772 6.458 ( -1.387 -4.691 -1.902) 5.248 6.458 ( 1.387 -4.691 -1.902) 5.248 6.584 ( -0.512 -1.897 0.553) 2.041 6.584 ( 0.512 -1.897 0.553) 2.041 7.516 ( -2.256 2.563 1.605) 3.772 7.516 ( 2.256 2.563 1.605) 3.772 7.831 ( -0.747 2.100 1.561) 2.721 7.831 ( 0.747 2.100 1.561) 2.721 7.989 ( -3.997 -3.440 0.454) 5.293 7.989 ( 3.997 -3.440 0.454) 5.293 8.147 ( -3.208 -2.290 -0.347) 3.956 8.147 ( 3.208 -2.290 -0.347) 3.956 8.602 ( -5.306 0.608 1.007) 5.435 8.602 ( 5.306 0.608 1.007) 5.435 9.051 ( -1.052 -6.664 -1.437) 6.898 9.051 ( 1.052 -6.664 -1.437) 6.898 9.635 ( -1.785 5.502 -0.676) 5.824 9.635 ( 1.785 5.502 -0.676) 5.824 9.765 ( -3.112 3.405 -1.463) 4.839 9.765 ( 3.112 3.405 -1.463) 4.839 10.472 ( -2.342 -1.447 2.436) 3.676 10.472 ( 2.342 -1.447 2.436) 3.676 10.790 ( -0.861 -2.000 -4.027) 4.578 10.790 ( 0.861 -2.000 -4.027) 4.578 11.447 ( -1.334 3.817 3.059) 5.070 11.447 ( 1.334 3.817 3.059) 5.070 11.939 ( -1.505 -2.263 -4.324) 5.107 11.939 ( 1.505 -2.263 -4.324) 5.107 12.579 ( -2.432 0.534 5.511) 6.047 12.579 ( 2.432 0.534 5.511) 6.047 12.850 ( -6.656 -0.687 -1.490) 6.856 12.850 ( 6.656 -0.687 -1.490) 6.856 13.467 ( -4.196 5.475 -0.574) 6.921 13.467 ( 4.196 5.475 -0.574) 6.921 14.219 ( -4.040 -9.207 1.863) 10.225 14.219 ( 4.040 -9.207 1.863) 10.225 14.684 ( -1.558 2.341 2.167) 3.550 14.684 ( 1.558 2.341 2.167) 3.550 14.827 ( -3.983 2.977 -0.710) 5.023 14.827 ( 3.983 2.977 -0.710) 5.023 15.247 ( -3.726 2.424 1.668) 4.748 15.247 ( 3.726 2.424 1.668) 4.748 15.657 ( -7.233 -2.182 -4.765) 8.932 15.657 ( 7.233 -2.182 -4.765) 8.932 16.796 ( -1.108 0.721 2.969) 3.250 16.796 ( 1.108 0.721 2.969) 3.250 17.159 ( -7.212 -1.244 -2.424) 7.710 17.159 ( 7.212 -1.244 -2.424) 7.710 17.879 ( -2.284 -1.427 -2.382) 3.595 17.879 ( 2.284 -1.427 -2.382) 3.595 18.213 ( -1.298 -3.014 2.390) 4.059 18.213 ( 1.298 -3.014 2.390) 4.059 18.446 ( -3.796 5.309 0.306) 6.534 18.446 ( 3.796 5.309 0.306) 6.534 19.032 ( -1.978 -3.970 3.079) 5.399 19.032 ( 1.978 -3.970 3.079) 5.399 19.384 ( -0.968 -0.910 -1.965) 2.372 19.384 ( 0.968 -0.910 -1.965) 2.372 19.487 ( -4.656 -2.423 -0.809) 5.311 19.487 ( 4.656 -2.423 -0.809) 5.311 20.003 ( -2.964 9.780 0.121) 10.220 20.003 ( 2.964 9.780 0.121) 10.220 20.752 ( -2.998 -5.906 -2.675) 7.143 20.752 ( 2.998 -5.906 -2.675) 7.143 21.044 ( -2.943 2.476 0.425) 3.870 21.044 ( 2.943 2.476 0.425) 3.870 21.305 ( -4.438 -3.106 -1.055) 5.519 21.305 ( 4.438 -3.106 -1.055) 5.519 22.125 ( -3.231 2.683 2.231) 4.755 22.125 ( 3.231 2.683 2.231) 4.755 22.485 ( -4.323 -1.073 -0.968) 4.558 22.485 ( 4.323 -1.073 -0.968) 4.558 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 21.993 16.984) 27.787 1.267 ( 0.000 23.876 13.692) 27.524 1.938 ( 0.000 -7.427 13.711) 15.593 2.106 ( 0.000 -13.856 0.114) 13.856 2.183 ( 0.000 26.382 11.386) 28.734 2.308 ( 0.000 5.393 -4.436) 6.983 2.475 ( 0.000 13.715 -7.886) 15.820 2.651 ( 0.000 -5.949 -3.699) 7.005 2.809 ( 0.000 -6.295 -1.403) 6.450 2.872 ( 0.000 1.728 1.226) 2.119 2.881 ( 0.000 -2.463 -2.735) 3.681 3.029 ( 0.000 2.149 3.773) 4.342 3.187 ( 0.000 -5.032 5.978) 7.814 3.340 ( 0.000 -0.330 -0.391) 0.511 3.390 ( 0.000 -0.694 -0.422) 0.812 3.416 ( 0.000 2.100 -0.703) 2.214 3.567 ( 0.000 -3.861 2.972) 4.872 3.688 ( 0.000 -12.173 -2.148) 12.361 3.720 ( 0.000 -1.787 3.203) 3.667 3.980 ( 0.000 5.316 -1.338) 5.482 4.044 ( 0.000 -9.991 -3.230) 10.500 4.158 ( 0.000 -2.016 -4.964) 5.358 4.366 ( 0.000 2.191 -15.003) 15.162 4.642 ( 0.000 -7.349 -10.148) 12.529 4.869 ( 0.000 2.928 5.290) 6.047 5.028 ( 0.000 -2.561 3.077) 4.003 5.183 ( 0.000 11.402 3.351) 11.884 5.352 ( 0.000 4.121 -3.081) 5.145 5.461 ( 0.000 1.903 -3.360) 3.862 5.516 ( 0.000 -2.020 -0.335) 2.047 5.561 ( 0.000 2.589 -0.164) 2.594 5.718 ( 0.000 7.135 -0.957) 7.198 5.760 ( 0.000 -5.745 2.868) 6.421 5.852 ( 0.000 4.806 -5.075) 6.990 5.917 ( 0.000 2.102 -4.987) 5.412 6.058 ( 0.000 -3.934 -0.826) 4.020 6.287 ( 0.000 -0.905 1.792) 2.007 6.397 ( 0.000 -3.643 3.825) 5.282 6.455 ( 0.000 -2.520 5.952) 6.464 6.582 ( 0.000 -6.735 4.788) 8.263 7.510 ( 0.000 5.968 0.453) 5.985 7.589 ( 0.000 1.659 -0.907) 1.890 7.873 ( 0.000 -0.349 2.165) 2.193 8.006 ( 0.000 0.642 -2.302) 2.390 8.108 ( 0.000 -2.145 2.380) 3.203 8.198 ( 0.000 -2.258 -1.883) 2.940 8.357 ( 0.000 1.397 2.689) 3.030 8.495 ( 0.000 -5.101 -0.947) 5.188 8.699 ( 0.000 3.454 3.649) 5.025 8.984 ( 0.000 -7.769 1.652) 7.942 9.126 ( 0.000 1.913 -5.890) 6.192 9.199 ( 0.000 -2.086 -2.763) 3.462 9.667 ( 0.000 1.635 2.304) 2.825 9.698 ( 0.000 0.187 -1.139) 1.155 9.779 ( 0.000 -1.037 -0.291) 1.077 9.799 ( 0.000 -1.300 0.351) 1.347 10.136 ( 0.000 0.571 -0.973) 1.128 10.200 ( 0.000 -2.410 -1.639) 2.915 10.340 ( 0.000 1.543 -2.217) 2.701 10.369 ( 0.000 0.445 -0.954) 1.052 11.031 ( 0.000 7.645 -2.152) 7.942 11.096 ( 0.000 9.545 -2.477) 9.861 11.300 ( 0.000 -6.339 2.058) 6.665 11.494 ( 0.000 -9.264 -2.918) 9.712 12.394 ( 0.000 -1.175 12.108) 12.165 12.518 ( 0.000 -6.272 12.765) 14.222 12.926 ( 0.000 1.515 -0.756) 1.694 13.010 ( 0.000 -2.765 -0.099) 2.767 13.419 ( 0.000 6.710 4.140) 7.884 13.663 ( 0.000 -4.706 0.739) 4.764 14.165 ( 0.000 1.793 -9.518) 9.685 14.216 ( 0.000 0.500 -10.169) 10.182 14.651 ( 0.000 3.414 9.608) 10.197 14.867 ( 0.000 -6.127 10.488) 12.146 15.127 ( 0.000 6.348 -3.047) 7.041 15.286 ( 0.000 -2.265 -1.822) 2.907 15.330 ( 0.000 3.749 -0.338) 3.764 15.435 ( 0.000 -1.219 -1.993) 2.336 16.158 ( 0.000 4.104 -0.039) 4.104 16.280 ( 0.000 -1.260 -4.478) 4.652 16.509 ( 0.000 1.292 -0.452) 1.369 16.661 ( 0.000 -3.008 0.941) 3.152 16.916 ( 0.000 -4.406 1.843) 4.776 17.066 ( 0.000 -7.122 -0.335) 7.130 17.529 ( 0.000 5.068 0.091) 5.069 17.556 ( 0.000 2.586 0.434) 2.622 17.851 ( 0.000 -2.486 1.380) 2.843 17.925 ( 0.000 -6.429 -1.764) 6.667 18.364 ( 0.000 4.814 5.408) 7.241 18.586 ( 0.000 -5.540 -0.066) 5.541 18.879 ( 0.000 5.257 -1.362) 5.430 18.964 ( 0.000 2.769 -2.428) 3.683 19.355 ( 0.000 0.455 0.556) 0.719 19.443 ( 0.000 -2.678 -0.206) 2.686 19.495 ( 0.000 1.497 0.619) 1.620 19.547 ( 0.000 -0.489 -1.188) 1.285 19.978 ( 0.000 7.175 2.713) 7.670 20.256 ( 0.000 -4.007 4.247) 5.839 20.601 ( 0.000 5.940 -8.791) 10.609 20.764 ( 0.000 0.869 -9.001) 9.043 21.075 ( 0.000 8.927 2.104) 9.172 21.303 ( 0.000 -2.314 0.714) 2.422 21.448 ( 0.000 2.708 -8.256) 8.689 21.506 ( 0.000 0.447 -7.956) 7.969 22.078 ( 0.000 -2.976 5.181) 5.975 22.093 ( 0.000 -3.585 4.708) 5.918 22.598 ( 0.000 0.946 3.347) 3.478 22.736 ( 0.000 -4.803 -0.399) 4.819 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.919 21.634 13.731) 26.542 1.378 ( 10.374 19.382 14.848) 26.528 1.987 ( 4.081 -11.838 11.778) 17.191 2.141 ( 2.907 -12.115 1.821) 12.592 2.303 ( 8.401 10.718 -0.823) 13.643 2.350 ( 6.345 12.757 -2.421) 14.452 2.544 ( 6.099 12.881 -2.416) 14.456 2.684 ( 3.482 -4.485 -4.166) 7.043 2.826 ( 0.946 -2.219 -1.196) 2.692 2.850 ( -0.660 -1.305 0.875) 1.705 2.895 ( 1.055 -1.695 -1.377) 2.426 3.043 ( 1.509 2.767 3.577) 4.768 3.171 ( -0.994 -3.442 4.629) 5.854 3.312 ( -2.823 -0.326 0.454) 2.878 3.386 ( -0.578 -0.366 -0.945) 1.166 3.412 ( 0.158 2.415 -0.233) 2.432 3.572 ( 0.260 -3.666 2.313) 4.343 3.672 ( -0.890 -5.405 -0.729) 5.526 3.753 ( 2.154 -4.634 1.974) 5.478 3.924 ( -5.040 2.402 -2.451) 6.098 3.993 ( -5.101 -4.228 -3.640) 7.559 4.168 ( 1.640 -7.997 -1.299) 8.266 4.402 ( 3.010 3.964 -14.216) 15.063 4.647 ( 0.179 -5.807 -8.669) 10.436 4.835 ( -2.302 3.564 3.582) 5.553 5.025 ( -1.064 -3.067 3.368) 4.678 5.205 ( 1.681 7.908 1.109) 8.161 5.302 ( -5.273 3.304 -3.492) 7.136 5.445 ( -0.425 3.641 -1.278) 3.882 5.500 ( 0.017 5.228 0.481) 5.251 5.603 ( 1.219 2.959 3.013) 4.396 5.704 ( 1.891 3.110 -2.595) 4.470 5.793 ( 3.970 -0.779 1.800) 4.428 5.919 ( 3.646 -0.007 -3.341) 4.946 5.978 ( 5.592 -0.372 -4.670) 7.295 6.096 ( 3.263 -4.069 -1.198) 5.352 6.291 ( 0.010 0.108 2.422) 2.424 6.397 ( -0.405 -2.713 3.890) 4.760 6.443 ( -1.260 -4.892 4.299) 6.633 6.532 ( -3.968 -6.466 3.450) 8.334 7.489 ( -1.511 5.478 1.148) 5.798 7.603 ( 0.963 1.146 -1.196) 1.916 7.856 ( -1.627 0.253 2.003) 2.593 7.985 ( -1.800 -0.379 -1.507) 2.378 8.109 ( -0.277 -0.700 1.597) 1.766 8.200 ( 0.052 -1.612 -1.949) 2.530 8.331 ( -2.111 1.129 3.025) 3.858 8.486 ( -2.278 -6.702 -0.169) 7.081 8.661 ( -2.226 5.362 2.278) 6.237 8.943 ( -5.922 -5.227 0.866) 7.946 9.016 ( -6.195 0.286 -2.746) 6.782 9.182 ( -3.684 -5.817 -2.803) 7.434 9.587 ( -1.359 2.185 2.872) 3.856 9.702 ( 0.275 -2.858 2.069) 3.539 9.847 ( 3.152 2.936 -2.927) 5.208 9.894 ( 4.748 0.859 -2.291) 5.341 10.171 ( 3.176 0.859 -1.569) 3.645 10.249 ( 2.757 -1.112 -2.116) 3.649 10.352 ( 4.846 -0.351 -0.772) 4.919 10.421 ( 3.821 -1.570 -1.637) 4.443 11.112 ( 7.765 7.846 -1.745) 11.176 11.145 ( 5.137 8.271 -0.825) 9.771 11.414 ( 9.864 -5.208 -1.265) 11.226 11.554 ( 5.878 -8.492 -3.235) 10.823 12.398 ( 0.526 -1.487 12.164) 12.266 12.502 ( -1.336 -5.369 12.383) 13.563 12.930 ( 0.081 1.453 -0.925) 1.724 13.005 ( -0.499 -2.317 -0.031) 2.370 13.436 ( 1.631 8.930 3.756) 9.824 13.694 ( 2.457 -3.539 0.929) 4.407 14.089 ( -8.931 -0.305 -7.627) 11.748 14.111 ( -6.483 -1.182 -7.666) 10.109 14.662 ( 0.161 3.208 7.303) 7.978 14.806 ( -3.473 -2.304 6.035) 7.334 15.088 ( -3.369 5.484 -1.830) 6.691 15.209 ( -5.821 -0.409 -2.872) 6.504 15.372 ( 1.155 0.804 2.278) 2.677 15.441 ( 0.044 -1.400 0.642) 1.540 16.087 ( -6.961 5.347 -0.665) 8.803 16.273 ( -2.064 -3.475 -6.041) 7.268 16.511 ( 2.115 2.227 0.340) 3.090 16.650 ( -1.173 -1.474 -0.219) 1.897 16.956 ( 2.886 -4.649 2.922) 6.203 17.098 ( 2.289 -8.166 -0.619) 8.504 17.559 ( 3.593 3.363 0.401) 4.938 17.627 ( 6.344 1.863 -0.224) 6.615 17.878 ( 2.906 -1.120 1.013) 3.275 17.993 ( 5.308 -5.304 -2.335) 7.859 18.382 ( 1.572 5.798 4.056) 7.249 18.606 ( 2.024 -5.867 -0.983) 6.284 18.864 ( -1.485 4.343 -0.500) 4.616 18.958 ( -0.670 1.172 -1.769) 2.225 19.323 ( -2.671 0.594 0.936) 2.892 19.411 ( -1.053 -1.307 -0.351) 1.715 19.478 ( -1.997 -0.507 0.757) 2.195 19.554 ( -0.139 -2.816 -1.288) 3.099 20.019 ( 3.581 7.736 2.851) 8.989 20.275 ( 1.936 -3.004 3.448) 4.966 20.582 ( -1.944 5.267 -6.155) 8.331 20.762 ( -0.215 -0.340 -8.457) 8.467 21.072 ( -0.487 8.234 2.139) 8.521 21.266 ( -2.659 -0.624 1.555) 3.143 21.427 ( -3.537 2.086 -6.833) 7.972 21.507 ( 0.495 -1.296 -8.183) 8.300 22.063 ( -2.198 -2.605 6.150) 7.031 22.088 ( 0.738 -3.102 3.278) 4.573 22.581 ( -1.293 3.026 2.583) 4.184 22.743 ( -0.129 -5.204 -1.684) 5.471 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 13.896 13.712 10.782) 22.302 1.633 ( 14.893 14.300 11.477) 23.622 2.073 ( 4.576 -11.209 7.510) 14.248 2.198 ( 2.816 -10.221 2.350) 10.859 2.392 ( 2.579 0.672 -7.730) 8.177 2.494 ( 4.527 3.910 -3.682) 7.024 2.680 ( 3.520 -2.722 -4.334) 6.212 2.751 ( 2.682 3.163 -0.647) 4.197 2.830 ( 1.729 2.910 0.027) 3.385 2.890 ( 2.807 -0.496 -0.503) 2.895 2.950 ( 4.690 0.058 -0.085) 4.691 3.083 ( 2.187 0.813 3.225) 3.980 3.189 ( 2.785 1.867 4.037) 5.248 3.242 ( -2.596 2.157 -0.176) 3.380 3.356 ( -1.587 1.718 -1.593) 2.830 3.434 ( 1.025 3.194 0.479) 3.389 3.560 ( -1.543 -1.026 0.881) 2.052 3.655 ( -1.149 -0.593 1.209) 1.770 3.769 ( -2.116 -2.718 0.673) 3.509 3.815 ( -4.044 -4.121 -2.536) 6.306 3.909 ( -1.629 1.651 -0.990) 2.522 4.224 ( 4.005 -11.046 0.616) 11.766 4.452 ( 1.544 7.306 -7.976) 10.926 4.632 ( -1.279 -1.421 -3.075) 3.620 4.836 ( 2.515 0.015 -1.896) 3.150 4.982 ( -2.278 -1.978 -0.650) 3.086 5.163 ( -6.220 4.296 -2.426) 7.939 5.254 ( 0.526 0.947 0.302) 1.125 5.440 ( 0.231 4.205 2.499) 4.897 5.530 ( 1.582 10.025 0.055) 10.150 5.584 ( -1.871 1.148 4.651) 5.143 5.779 ( 3.488 3.558 -4.332) 6.602 5.879 ( 4.232 3.098 0.839) 5.311 5.988 ( 2.823 -1.061 -1.889) 3.559 6.101 ( 6.899 -4.926 -0.751) 8.511 6.167 ( 4.045 -6.244 -0.873) 7.491 6.271 ( -1.680 1.446 3.152) 3.853 6.367 ( -2.022 -2.403 3.710) 4.860 6.415 ( -0.805 -5.691 0.848) 5.810 6.487 ( -0.743 -5.185 0.093) 5.238 7.471 ( -0.055 4.977 2.003) 5.365 7.621 ( 1.017 0.087 -0.926) 1.378 7.817 ( -2.044 1.357 1.629) 2.944 7.946 ( -2.093 -1.453 -1.036) 2.750 8.086 ( -2.191 0.468 1.332) 2.606 8.187 ( -1.863 0.779 -1.400) 2.457 8.281 ( -3.694 -2.120 2.588) 4.984 8.409 ( -4.048 -3.099 1.066) 5.209 8.615 ( -4.230 2.811 0.330) 5.090 8.801 ( -5.482 0.033 -0.520) 5.506 8.930 ( -3.417 -5.360 -0.388) 6.368 9.084 ( -5.309 -8.113 -2.307) 9.967 9.611 ( 2.657 2.618 2.879) 4.712 9.722 ( 1.354 -1.739 2.049) 3.009 9.860 ( -0.855 5.017 -2.767) 5.793 9.945 ( 0.446 2.026 -3.430) 4.008 10.235 ( 3.398 2.247 0.362) 4.090 10.317 ( 4.597 -0.604 -0.498) 4.663 10.482 ( 6.741 -2.261 -2.240) 7.454 10.520 ( 6.266 -3.831 -2.950) 7.915 11.277 ( 7.606 7.307 0.598) 10.564 11.298 ( 10.153 7.512 -0.854) 12.659 11.611 ( 9.273 -3.571 -3.669) 10.593 11.699 ( 8.073 -6.585 -4.613) 11.393 12.418 ( 1.660 -1.667 11.877) 12.108 12.485 ( 0.114 -3.910 10.706) 11.398 12.913 ( -2.103 2.511 -0.987) 3.420 13.000 ( 0.304 -1.619 -0.355) 1.685 13.473 ( 1.809 10.484 1.738) 10.780 13.709 ( -2.825 3.385 -0.737) 4.470 13.886 ( -7.074 -4.174 -1.810) 8.411 14.061 ( 0.640 -9.061 -4.331) 10.063 14.654 ( -0.201 3.815 3.897) 5.457 14.775 ( -0.477 -1.187 1.242) 1.783 15.003 ( -4.943 4.624 -0.684) 6.803 15.096 ( -5.354 -0.289 -2.750) 6.026 15.343 ( -3.525 1.708 4.887) 6.263 15.431 ( -1.150 -2.709 3.337) 4.450 15.919 ( -9.590 6.989 -2.171) 12.063 16.165 ( -8.750 -5.463 -8.697) 13.493 16.591 ( 5.076 1.330 0.505) 5.272 16.657 ( 2.633 -0.527 0.967) 2.854 16.985 ( 0.130 -0.719 4.003) 4.069 17.159 ( 3.990 -8.840 -0.459) 9.710 17.657 ( 6.159 2.388 -0.276) 6.612 17.759 ( 6.080 -0.595 -1.087) 6.205 17.950 ( 3.928 1.327 -0.356) 4.162 18.077 ( 2.739 -1.394 -0.810) 3.178 18.421 ( 2.644 7.281 2.161) 8.042 18.645 ( 1.053 -4.596 -3.066) 5.624 18.837 ( -0.685 -1.452 1.605) 2.271 18.932 ( -1.836 -2.655 -0.969) 3.370 19.290 ( -0.494 0.830 1.642) 1.905 19.404 ( -0.496 1.371 -0.902) 1.714 19.451 ( 0.189 -4.130 1.030) 4.260 19.541 ( -0.556 -4.392 -1.387) 4.640 20.078 ( 1.707 8.736 2.675) 9.295 20.327 ( 3.035 -1.685 0.638) 3.530 20.531 ( -2.905 4.412 -1.839) 5.594 20.754 ( -0.718 -2.745 -5.937) 6.580 21.054 ( -1.118 6.738 2.088) 7.142 21.223 ( -1.874 0.758 1.385) 2.450 21.333 ( -5.105 2.035 -3.972) 6.781 21.494 ( -2.430 -4.665 -7.308) 9.004 22.031 ( -0.421 0.494 5.513) 5.551 22.113 ( 1.759 -3.356 2.153) 4.358 22.551 ( -1.986 4.237 1.139) 4.816 22.713 ( -2.910 -4.296 -2.825) 5.908 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 16.969 5.576 6.365) 18.962 1.922 ( 13.945 8.627 8.240) 18.352 2.161 ( 3.986 -6.391 2.454) 7.922 2.251 ( 2.875 -4.051 2.064) 5.380 2.436 ( 2.834 -2.956 0.362) 4.111 2.522 ( -0.715 -3.056 -4.182) 5.228 2.710 ( 1.020 0.284 -3.692) 3.841 2.723 ( -3.759 1.138 -4.235) 5.776 2.898 ( -0.796 1.038 -5.026) 5.194 2.921 ( 3.219 -0.580 -3.752) 4.977 2.978 ( -2.136 0.995 0.599) 2.431 3.093 ( -2.209 -1.766 1.374) 3.145 3.144 ( -2.255 -1.410 1.409) 3.010 3.222 ( -4.497 -1.665 -1.264) 4.959 3.381 ( -2.197 5.491 -1.739) 6.164 3.451 ( 1.163 5.116 3.631) 6.380 3.556 ( 1.398 2.328 -0.157) 2.720 3.636 ( 1.884 0.504 2.826) 3.433 3.723 ( 0.179 -3.104 0.242) 3.119 3.784 ( -0.768 -3.378 -0.447) 3.493 3.957 ( 7.361 5.838 1.703) 9.548 4.312 ( 4.434 -9.138 2.379) 10.432 4.460 ( 0.117 8.121 0.965) 8.179 4.640 ( 1.963 0.082 -4.064) 4.514 4.850 ( -1.727 -0.063 0.790) 1.900 5.001 ( 2.192 -2.727 -4.532) 5.725 5.048 ( -3.291 4.572 -1.734) 5.894 5.236 ( -2.376 -3.628 -1.486) 4.585 5.462 ( 1.722 5.508 2.881) 6.451 5.506 ( -2.184 6.039 2.779) 6.997 5.576 ( -0.442 1.366 1.669) 2.202 5.792 ( -1.781 -0.820 -3.058) 3.633 5.956 ( 3.339 6.643 0.644) 7.463 6.026 ( 1.117 1.380 -0.188) 1.786 6.169 ( 1.177 -3.019 2.203) 3.918 6.254 ( 3.241 -4.928 -1.986) 6.224 6.297 ( 3.192 -1.510 0.177) 3.536 6.364 ( 3.101 -1.082 2.616) 4.199 6.407 ( -0.337 -5.816 -0.675) 5.864 6.486 ( 0.853 -4.122 -0.442) 4.232 7.489 ( 1.804 4.861 2.431) 5.727 7.646 ( 1.347 0.900 -0.569) 1.717 7.787 ( -0.755 0.913 1.341) 1.789 7.904 ( -2.129 -1.597 -0.814) 2.782 8.026 ( -3.828 -0.063 1.708) 4.192 8.113 ( -5.866 3.525 0.786) 6.889 8.181 ( -5.257 -4.830 0.790) 7.182 8.329 ( -6.061 -4.646 -1.149) 7.723 8.527 ( -1.833 5.163 2.470) 6.010 8.745 ( -1.715 -0.830 -0.833) 2.079 8.887 ( -0.969 -6.841 -0.867) 6.964 8.998 ( -3.363 -7.673 -2.377) 8.709 9.667 ( 2.943 3.506 1.719) 4.890 9.739 ( 0.371 2.135 1.364) 2.561 9.841 ( -0.985 4.606 -1.601) 4.975 9.926 ( -1.954 2.801 -2.659) 4.328 10.307 ( 3.896 1.105 2.047) 4.538 10.400 ( 3.453 -2.342 0.630) 4.219 10.608 ( 5.993 -2.062 -2.802) 6.930 10.637 ( 5.351 -3.854 -4.148) 7.791 11.413 ( 5.977 7.165 1.534) 9.456 11.466 ( 6.455 6.387 0.323) 9.087 11.758 ( 5.765 -2.970 -3.636) 7.435 11.830 ( 4.826 -4.981 -5.277) 8.714 12.464 ( 2.994 -0.632 10.182) 10.631 12.517 ( 3.118 -2.741 7.614) 8.672 12.856 ( -3.292 3.883 -0.782) 5.150 13.004 ( -0.917 -3.171 -1.563) 3.653 13.486 ( -0.654 8.494 0.139) 8.520 13.619 ( -1.848 8.470 -3.519) 9.356 13.876 ( 3.046 -7.057 4.116) 8.719 14.090 ( 1.089 -11.208 -1.421) 11.351 14.666 ( 1.263 2.986 1.462) 3.556 14.759 ( -1.425 -0.552 -0.152) 1.536 14.922 ( -2.861 4.074 -0.332) 4.989 15.008 ( -3.840 -0.413 -2.110) 4.401 15.270 ( -3.057 2.920 5.201) 6.703 15.397 ( -2.094 -3.421 3.924) 5.611 15.732 ( -9.225 6.668 -2.886) 11.743 15.966 ( -10.880 -5.023 -8.448) 14.662 16.686 ( 4.658 0.350 1.283) 4.844 16.736 ( 4.461 -1.600 2.107) 5.186 16.992 ( 1.236 3.181 2.716) 4.361 17.217 ( 1.163 -7.815 -1.481) 8.038 17.786 ( 6.430 0.449 -1.472) 6.612 17.847 ( 3.310 0.372 -1.762) 3.768 18.001 ( 0.943 1.082 0.091) 1.439 18.124 ( 2.860 0.804 1.018) 3.140 18.482 ( 3.266 7.970 1.043) 8.676 18.632 ( -1.989 0.067 -2.702) 3.356 18.842 ( 0.734 -8.769 2.387) 9.118 18.908 ( -0.072 -6.410 -0.473) 6.428 19.293 ( 0.775 1.374 1.754) 2.359 19.396 ( 0.005 1.756 -0.245) 1.774 19.476 ( 1.592 -4.153 -0.190) 4.452 19.534 ( -0.736 -2.718 -1.484) 3.183 20.095 ( 0.808 10.043 2.181) 10.309 20.354 ( -1.294 4.585 -4.039) 6.246 20.499 ( 0.355 -2.030 3.161) 3.774 20.730 ( -1.871 -5.186 -3.187) 6.368 21.041 ( -0.018 5.270 1.179) 5.400 21.184 ( -2.278 2.033 -1.008) 3.215 21.254 ( -2.743 0.134 -0.902) 2.890 21.412 ( -5.482 -6.499 -4.998) 9.863 22.055 ( 2.683 2.793 4.246) 5.746 22.152 ( 2.156 -2.259 1.595) 3.506 22.501 ( -3.041 3.658 0.236) 4.763 22.638 ( -4.636 -3.310 -2.846) 6.368 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 8.797 3.900 2.650) 9.981 2.152 ( 8.732 1.720 2.693) 9.298 2.205 ( 4.211 3.075 2.706) 5.875 2.339 ( 5.797 -4.224 1.390) 7.306 2.495 ( 3.073 -2.549 2.447) 4.683 2.549 ( 3.559 -4.000 -2.386) 5.862 2.635 ( -4.436 2.300 -5.568) 7.481 2.703 ( -1.633 -0.925 -5.200) 5.529 2.837 ( -4.381 2.853 -1.667) 5.487 2.880 ( -5.008 2.102 -0.693) 5.475 2.944 ( -4.244 -0.794 -3.886) 5.809 3.010 ( -4.710 -2.045 0.933) 5.219 3.103 ( -0.895 1.006 1.358) 1.912 3.197 ( 1.598 -0.084 1.431) 2.147 3.329 ( -2.069 4.027 -2.269) 5.064 3.417 ( -2.207 0.805 1.498) 2.786 3.537 ( -0.763 0.738 -1.390) 1.749 3.658 ( -2.434 2.600 1.769) 3.976 3.762 ( 2.216 -5.669 -0.660) 6.123 3.787 ( 0.742 -3.709 -0.339) 3.797 4.191 ( 13.426 3.385 3.562) 14.297 4.384 ( 2.716 -4.846 3.540) 6.588 4.484 ( 2.640 6.016 3.311) 7.357 4.663 ( -0.885 -1.688 -2.388) 3.055 4.822 ( -0.211 4.421 -0.100) 4.428 4.929 ( -4.672 4.039 1.223) 6.296 5.100 ( 2.730 -4.659 -2.540) 5.968 5.184 ( -2.391 -4.827 -2.417) 5.904 5.456 ( -0.717 6.174 2.685) 6.771 5.517 ( -0.986 4.466 1.528) 4.822 5.560 ( 2.254 -0.604 0.638) 2.419 5.737 ( -3.639 -3.734 -1.918) 5.555 5.998 ( 1.329 5.480 0.032) 5.639 6.034 ( -0.201 5.599 -0.436) 5.620 6.215 ( 3.222 0.989 1.408) 3.653 6.286 ( 0.351 -1.731 -1.029) 2.044 6.330 ( 1.309 -0.747 -1.246) 1.955 6.383 ( -1.323 -4.697 -1.055) 4.992 6.469 ( 4.627 -4.944 1.020) 6.848 6.516 ( 1.577 -4.154 0.892) 4.532 7.536 ( 2.881 5.223 2.269) 6.382 7.649 ( -1.634 5.129 -0.219) 5.388 7.804 ( 2.671 -3.314 0.880) 4.347 7.872 ( -0.828 -1.126 -0.000) 1.398 7.944 ( -4.522 0.262 1.599) 4.804 7.996 ( -4.819 -0.007 1.734) 5.122 8.099 ( -3.045 -3.493 0.277) 4.642 8.185 ( -7.173 -4.669 -0.643) 8.583 8.556 ( 3.630 4.625 1.777) 6.142 8.705 ( -2.672 0.917 -0.745) 2.921 8.886 ( 0.721 -7.662 -1.326) 7.809 8.948 ( -2.093 -7.176 -2.302) 7.822 9.721 ( 2.236 3.995 0.250) 4.585 9.747 ( 0.814 5.543 0.648) 5.640 9.817 ( -1.203 4.060 -0.423) 4.256 9.881 ( -2.513 2.813 -1.800) 4.179 10.381 ( 3.490 -0.789 2.685) 4.474 10.443 ( 0.878 -2.994 1.865) 3.635 10.704 ( 3.618 -2.181 -3.540) 5.512 10.719 ( 2.843 -3.152 -4.460) 6.157 11.504 ( 3.366 6.734 2.022) 7.794 11.543 ( 1.750 5.939 1.497) 6.370 11.839 ( 2.826 -3.474 -3.472) 5.667 11.883 ( 0.839 -4.529 -4.377) 6.354 12.531 ( 3.680 0.704 7.071) 8.002 12.584 ( 2.759 -1.420 5.319) 6.158 12.805 ( -1.221 2.919 -0.741) 3.249 12.939 ( -5.326 -3.419 -2.067) 6.658 13.513 ( 4.216 9.361 0.641) 10.286 13.634 ( 1.042 8.448 -2.607) 8.902 13.943 ( 3.575 -9.704 3.425) 10.894 14.080 ( -2.136 -11.231 -0.166) 11.434 14.695 ( 1.635 2.014 1.421) 2.958 14.737 ( -0.349 0.986 0.796) 1.314 14.884 ( -1.583 3.400 -0.978) 3.876 14.935 ( -3.728 0.524 -0.898) 3.871 15.250 ( 1.172 3.150 3.287) 4.701 15.363 ( -1.576 -1.060 2.413) 3.071 15.587 ( -4.410 3.096 -2.270) 5.847 15.762 ( -9.696 -4.391 -6.371) 12.405 16.767 ( 3.444 0.569 2.229) 4.141 16.803 ( 2.106 -0.622 3.507) 4.138 17.040 ( 3.606 1.960 -0.589) 4.146 17.198 ( -2.887 -5.499 -2.324) 6.631 17.861 ( 1.763 0.539 -1.540) 2.402 17.907 ( 1.335 5.057 -3.327) 6.199 18.033 ( 3.955 -5.200 2.702) 7.069 18.164 ( 0.384 -2.557 -0.287) 2.601 18.535 ( 2.050 7.760 0.835) 8.070 18.592 ( -1.688 4.754 -1.005) 5.144 18.863 ( 1.673 -9.672 2.196) 10.059 18.918 ( 0.227 -8.635 0.837) 8.679 19.326 ( 2.703 1.666 0.978) 3.322 19.410 ( 1.418 1.552 -0.676) 2.208 19.484 ( -1.937 -2.884 -1.277) 3.701 19.501 ( -1.728 0.473 -0.582) 1.884 20.130 ( 2.927 10.471 1.434) 10.967 20.290 ( -4.387 10.750 -2.173) 11.812 20.536 ( 3.017 -8.518 1.404) 9.145 20.680 ( -3.240 -7.564 -1.862) 8.437 21.056 ( 1.584 3.844 0.143) 4.160 21.139 ( -2.177 2.483 -1.988) 3.854 21.222 ( -0.631 -1.814 -0.006) 1.921 21.305 ( -4.997 -6.025 -2.616) 8.253 22.121 ( 3.712 3.484 3.260) 6.045 22.189 ( 1.267 0.237 1.900) 2.296 22.448 ( -1.704 1.540 -0.545) 2.360 22.541 ( -5.002 -2.710 -2.316) 6.143 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.947 4.652 1.419) 4.955 2.174 ( 0.947 4.652 1.419) 4.955 2.392 ( -5.721 -2.083 -0.308) 6.096 2.392 ( 5.721 -2.083 -0.308) 6.096 2.539 ( -3.365 0.512 -0.130) 3.407 2.539 ( 3.365 0.512 -0.130) 3.407 2.644 ( -5.215 -2.856 -2.341) 6.390 2.644 ( 5.215 -2.856 -2.341) 6.390 2.809 ( -0.909 2.122 -1.846) 2.956 2.809 ( 0.909 2.122 -1.846) 2.956 2.903 ( -3.865 -1.077 -0.724) 4.077 2.903 ( 3.865 -1.077 -0.724) 4.077 3.159 ( -4.601 4.421 2.141) 6.730 3.159 ( 4.601 4.421 2.141) 6.730 3.357 ( -3.848 -0.946 -1.263) 4.159 3.357 ( 3.848 -0.946 -1.263) 4.159 3.580 ( -4.441 2.637 0.709) 5.214 3.580 ( 4.441 2.637 0.709) 5.214 3.789 ( -0.739 -5.585 -1.579) 5.851 3.789 ( 0.739 -5.585 -1.579) 5.851 4.370 ( -4.694 -1.124 3.431) 5.922 4.370 ( 4.694 -1.124 3.431) 5.922 4.588 ( -6.459 0.175 1.417) 6.615 4.588 ( 6.459 0.175 1.417) 6.615 4.850 ( -2.988 5.921 0.519) 6.653 4.850 ( 2.988 5.921 0.519) 6.653 5.142 ( -2.133 -5.879 -1.413) 6.411 5.142 ( 2.133 -5.879 -1.413) 6.411 5.469 ( -2.052 5.528 2.155) 6.278 5.469 ( 2.052 5.528 2.155) 6.278 5.650 ( -5.167 -2.530 -1.366) 5.913 5.650 ( 5.167 -2.530 -1.366) 5.913 6.021 ( -1.021 5.728 -0.592) 5.848 6.021 ( 1.021 5.728 -0.592) 5.848 6.270 ( -2.017 1.566 0.425) 2.588 6.270 ( 2.017 1.566 0.425) 2.588 6.356 ( -1.383 -3.557 -1.777) 4.210 6.356 ( 1.383 -3.557 -1.777) 4.210 6.525 ( -1.046 -4.523 1.234) 4.804 6.525 ( 1.046 -4.523 1.234) 4.804 7.596 ( -3.186 5.895 1.230) 6.812 7.596 ( 3.186 5.895 1.230) 6.812 7.855 ( -2.185 -2.920 0.362) 3.665 7.855 ( 2.185 -2.920 0.362) 3.665 7.919 ( -3.363 -0.480 1.471) 3.701 7.919 ( 3.363 -0.480 1.471) 3.701 8.088 ( -2.350 -3.863 0.313) 4.533 8.088 ( 2.350 -3.863 0.313) 4.533 8.637 ( -4.199 3.187 0.276) 5.279 8.637 ( 4.199 3.187 0.276) 5.279 8.911 ( -1.707 -7.431 -1.894) 7.856 8.911 ( 1.707 -7.431 -1.894) 7.856 9.750 ( -1.055 5.936 -0.059) 6.029 9.750 ( 1.055 5.936 -0.059) 6.029 9.830 ( -2.489 2.744 -0.657) 3.763 9.830 ( 2.489 2.744 -0.657) 3.763 10.434 ( -1.749 -2.273 2.605) 3.875 10.434 ( 1.749 -2.273 2.605) 3.875 10.743 ( -0.389 -2.556 -4.191) 4.925 10.743 ( 0.389 -2.556 -4.191) 4.925 11.547 ( -1.134 6.173 2.057) 6.605 11.547 ( 1.134 6.173 2.057) 6.605 11.877 ( -1.173 -4.163 -3.655) 5.663 11.877 ( 1.173 -4.163 -3.655) 5.663 12.591 ( -1.963 0.694 5.101) 5.509 12.591 ( 1.963 0.694 5.101) 5.509 12.836 ( -4.250 -0.722 -1.262) 4.491 12.836 ( 4.250 -0.722 -1.262) 4.491 13.607 ( -3.939 9.071 -0.277) 9.893 13.607 ( 3.939 9.071 -0.277) 9.893 14.017 ( -3.910 -11.583 0.813) 12.252 14.017 ( 3.910 -11.583 0.813) 12.252 14.727 ( -1.367 1.988 1.892) 3.065 14.727 ( 1.367 1.988 1.892) 3.065 14.876 ( -1.631 1.839 -0.879) 2.610 14.876 ( 1.631 1.839 -0.879) 2.610 15.306 ( -3.932 3.354 1.808) 5.476 15.306 ( 3.932 3.354 1.808) 5.476 15.605 ( -5.711 -2.934 -3.598) 7.360 15.605 ( 5.711 -2.934 -3.598) 7.360 16.813 ( -1.075 0.874 3.255) 3.538 16.813 ( 1.075 0.874 3.255) 3.538 17.122 ( -4.444 -2.318 -2.287) 5.509 17.122 ( 4.444 -2.318 -2.287) 5.509 17.893 ( -1.651 3.239 -1.410) 3.900 17.893 ( 1.651 3.239 -1.410) 3.900 18.126 ( -4.108 -5.887 -0.100) 7.179 18.126 ( 4.108 -5.887 -0.100) 7.179 18.566 ( -1.267 7.088 0.479) 7.216 18.566 ( 1.267 7.088 0.479) 7.216 18.901 ( -1.812 -8.929 1.883) 9.304 18.901 ( 1.812 -8.929 1.883) 9.304 19.395 ( -3.902 1.706 -0.830) 4.339 19.395 ( 3.902 1.706 -0.830) 4.339 19.467 ( -1.987 -0.223 -0.421) 2.043 19.467 ( 1.987 -0.223 -0.421) 2.043 20.203 ( -4.338 11.077 0.208) 11.899 20.203 ( 4.338 11.077 0.208) 11.899 20.607 ( -4.017 -9.211 -0.892) 10.088 20.607 ( 4.017 -9.211 -0.892) 10.088 21.096 ( -2.289 2.925 -0.907) 3.823 21.096 ( 2.289 2.925 -0.907) 3.823 21.234 ( -2.050 -4.001 -0.987) 4.602 21.234 ( 2.050 -4.001 -0.987) 4.602 22.182 ( -2.111 2.960 2.639) 4.492 22.182 ( 2.111 2.960 2.639) 4.492 22.459 ( -2.901 -1.486 -1.571) 3.618 22.459 ( 2.901 -1.486 -1.571) 3.618 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 -14.569 13.971) 20.185 1.623 ( 0.000 14.569 13.971) 20.185 1.731 ( 0.000 -18.605 8.866) 20.609 1.731 ( 0.000 18.605 8.866) 20.609 2.480 ( 0.000 -9.068 -6.873) 11.378 2.480 ( 0.000 9.068 -6.873) 11.378 2.605 ( 0.000 -11.216 -7.716) 13.614 2.605 ( 0.000 11.216 -7.716) 13.614 2.820 ( 0.000 -8.311 -0.068) 8.311 2.820 ( 0.000 8.311 -0.068) 8.311 3.011 ( 0.000 -13.140 10.036) 16.534 3.011 ( 0.000 13.140 10.036) 16.534 3.141 ( 0.000 -8.657 3.824) 9.464 3.141 ( 0.000 8.657 3.824) 9.464 3.388 ( 0.000 -2.577 1.429) 2.946 3.388 ( 0.000 2.577 1.429) 2.946 3.540 ( 0.000 -6.109 -4.695) 7.705 3.540 ( 0.000 6.109 -4.695) 7.705 3.841 ( 0.000 -10.089 1.492) 10.198 3.841 ( 0.000 10.089 1.492) 10.198 4.083 ( 0.000 -5.142 -0.040) 5.142 4.083 ( 0.000 5.142 -0.040) 5.142 4.494 ( 0.000 -8.360 -15.709) 17.795 4.494 ( 0.000 8.360 -15.709) 17.795 4.948 ( 0.000 -4.997 4.166) 6.506 4.948 ( 0.000 4.997 4.166) 6.506 5.359 ( 0.000 -5.453 1.467) 5.647 5.359 ( 0.000 5.453 1.467) 5.647 5.475 ( 0.000 -1.895 -4.091) 4.508 5.475 ( 0.000 1.895 -4.091) 4.508 5.636 ( 0.000 -5.595 3.495) 6.597 5.636 ( 0.000 5.595 3.495) 6.597 5.856 ( 0.000 -5.278 -3.364) 6.259 5.856 ( 0.000 5.278 -3.364) 6.259 5.972 ( 0.000 -4.294 -4.563) 6.266 5.972 ( 0.000 4.294 -4.563) 6.266 6.314 ( 0.000 -3.716 5.067) 6.283 6.314 ( 0.000 3.716 5.067) 6.283 6.478 ( 0.000 -3.994 3.993) 5.648 6.478 ( 0.000 3.994 3.993) 5.648 7.589 ( 0.000 -2.139 0.654) 2.236 7.589 ( 0.000 2.139 0.654) 2.236 7.935 ( 0.000 -6.182 -0.917) 6.250 7.935 ( 0.000 6.182 -0.917) 6.250 8.134 ( 0.000 -3.735 0.674) 3.795 8.134 ( 0.000 3.735 0.674) 3.795 8.406 ( 0.000 -3.706 0.378) 3.725 8.406 ( 0.000 3.706 0.378) 3.725 8.825 ( 0.000 -8.481 2.447) 8.827 8.825 ( 0.000 8.481 2.447) 8.827 9.159 ( 0.000 -1.913 -4.605) 4.986 9.159 ( 0.000 1.913 -4.605) 4.986 9.693 ( 0.000 -0.878 0.695) 1.119 9.693 ( 0.000 0.878 0.695) 1.119 9.777 ( 0.000 -0.802 0.265) 0.844 9.777 ( 0.000 0.802 0.265) 0.844 10.159 ( 0.000 -1.813 -1.219) 2.184 10.159 ( 0.000 1.813 -1.219) 2.184 10.364 ( 0.000 -0.887 -1.508) 1.749 10.364 ( 0.000 0.887 -1.508) 1.749 11.156 ( 0.000 -5.696 0.080) 5.697 11.156 ( 0.000 5.696 0.080) 5.697 11.310 ( 0.000 -9.595 -2.597) 9.941 11.310 ( 0.000 9.595 -2.597) 9.941 12.424 ( 0.000 -3.742 10.884) 11.509 12.424 ( 0.000 3.742 10.884) 11.509 12.962 ( 0.000 -2.284 -0.401) 2.319 12.962 ( 0.000 2.284 -0.401) 2.319 13.552 ( 0.000 -6.878 1.712) 7.088 13.552 ( 0.000 6.878 1.712) 7.088 14.199 ( 0.000 -1.824 -9.731) 9.901 14.199 ( 0.000 1.824 -9.731) 9.901 14.747 ( 0.000 -6.242 10.834) 12.504 14.747 ( 0.000 6.242 10.834) 12.504 15.225 ( 0.000 -4.207 -2.248) 4.770 15.225 ( 0.000 4.207 -2.248) 4.770 15.396 ( 0.000 -2.916 -1.042) 3.096 15.396 ( 0.000 2.916 -1.042) 3.096 16.234 ( 0.000 -3.553 -3.210) 4.788 16.234 ( 0.000 3.553 -3.210) 4.788 16.573 ( 0.000 -5.089 2.439) 5.643 16.573 ( 0.000 5.089 2.439) 5.643 16.937 ( 0.000 -5.442 -1.419) 5.624 16.937 ( 0.000 5.442 -1.419) 5.624 17.585 ( 0.000 -0.565 0.203) 0.601 17.585 ( 0.000 0.565 0.203) 0.601 17.843 ( 0.000 -2.072 -0.216) 2.083 17.843 ( 0.000 2.072 -0.216) 2.083 18.469 ( 0.000 -6.239 3.132) 6.981 18.469 ( 0.000 6.239 3.132) 6.981 18.961 ( 0.000 -2.817 -3.075) 4.170 18.961 ( 0.000 2.817 -3.075) 4.170 19.386 ( 0.000 -2.729 1.069) 2.931 19.386 ( 0.000 2.729 1.069) 2.931 19.526 ( 0.000 -1.536 -0.182) 1.547 19.526 ( 0.000 1.536 -0.182) 1.547 20.130 ( 0.000 -8.183 5.268) 9.732 20.130 ( 0.000 8.183 5.268) 9.732 20.713 ( 0.000 -5.283 -7.122) 8.867 20.713 ( 0.000 5.283 -7.122) 8.867 21.222 ( 0.000 -6.292 1.141) 6.394 21.222 ( 0.000 6.292 1.141) 6.394 21.496 ( 0.000 -1.724 -8.893) 9.058 21.496 ( 0.000 1.724 -8.893) 9.058 22.053 ( 0.000 -0.577 4.976) 5.009 22.053 ( 0.000 0.577 4.976) 5.009 22.650 ( 0.000 -4.034 0.626) 4.082 22.650 ( 0.000 4.034 0.626) 4.082 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 5.274 -15.600 13.833) 21.507 1.682 ( 5.274 15.600 13.833) 21.507 1.781 ( 5.190 -19.308 7.884) 21.492 1.781 ( 5.190 19.308 7.884) 21.492 2.476 ( -0.073 -8.379 -8.270) 11.773 2.476 ( -0.073 8.379 -8.270) 11.773 2.642 ( 3.318 -8.949 -7.734) 12.284 2.642 ( 3.318 8.949 -7.734) 12.284 2.842 ( 1.413 -2.426 -0.121) 2.810 2.842 ( 1.413 2.426 -0.121) 2.810 3.014 ( 0.774 -10.541 8.002) 13.257 3.014 ( 0.774 10.541 8.002) 13.257 3.193 ( 4.606 -10.766 4.935) 12.707 3.193 ( 4.606 10.766 4.935) 12.707 3.389 ( 0.582 -3.947 2.251) 4.581 3.389 ( 0.582 3.947 2.251) 4.581 3.542 ( 0.361 -6.354 -4.818) 7.982 3.542 ( 0.361 6.354 -4.818) 7.982 3.838 ( -1.127 -8.146 0.559) 8.242 3.838 ( -1.127 8.146 0.559) 8.242 4.030 ( -3.734 -5.713 0.643) 6.855 4.030 ( -3.734 5.713 0.643) 6.855 4.526 ( 2.621 -7.115 -13.648) 15.613 4.526 ( 2.621 7.115 -13.648) 15.613 4.931 ( -1.618 -5.951 3.548) 7.114 4.931 ( -1.618 5.951 3.548) 7.114 5.315 ( -3.616 -2.731 -1.595) 4.804 5.315 ( -3.616 2.731 -1.595) 4.804 5.505 ( 1.460 -3.177 1.553) 3.826 5.505 ( 1.460 3.177 1.553) 3.826 5.682 ( 4.465 -4.441 0.438) 6.313 5.682 ( 4.465 4.441 0.438) 6.313 5.860 ( 2.001 -5.694 -2.057) 6.376 5.860 ( 2.001 5.694 -2.057) 6.376 6.014 ( 2.744 -3.789 -4.097) 6.218 6.014 ( 2.744 3.789 -4.097) 6.218 6.322 ( 0.500 -3.668 4.476) 5.808 6.322 ( 0.500 3.668 4.476) 5.808 6.439 ( -3.267 -3.391 3.302) 5.751 6.439 ( -3.267 3.391 3.302) 5.751 7.579 ( -0.797 -3.600 1.055) 3.835 7.579 ( -0.797 3.600 1.055) 3.835 7.918 ( -1.634 -5.465 -1.110) 5.812 7.918 ( -1.634 5.465 -1.110) 5.812 8.140 ( 0.301 -3.497 0.591) 3.560 8.140 ( 0.301 3.497 0.591) 3.560 8.386 ( -1.937 -4.164 0.598) 4.631 8.386 ( -1.937 4.164 0.598) 4.631 8.795 ( -3.124 -8.348 2.235) 9.189 8.795 ( -3.124 8.348 2.235) 9.189 9.079 ( -6.853 -4.760 -3.584) 9.081 9.079 ( -6.853 4.760 -3.584) 9.081 9.641 ( -0.688 -3.339 2.844) 4.440 9.641 ( -0.688 3.339 2.844) 4.440 9.891 ( 5.431 -1.400 -2.873) 6.301 9.891 ( 5.431 1.400 -2.873) 6.301 10.203 ( 4.065 -2.579 -1.926) 5.185 10.203 ( 4.065 2.579 -1.926) 5.185 10.381 ( 2.352 -2.445 -0.523) 3.433 10.381 ( 2.352 2.445 -0.523) 3.433 11.225 ( 6.481 -3.054 0.186) 7.166 11.225 ( 6.481 3.054 0.186) 7.166 11.398 ( 8.353 -6.369 -3.441) 11.053 11.398 ( 8.353 6.369 -3.441) 11.053 12.420 ( -0.278 -3.197 10.933) 11.394 12.420 ( -0.278 3.197 10.933) 11.394 12.963 ( 0.043 -2.047 -0.636) 2.144 12.963 ( 0.043 2.047 -0.636) 2.144 13.591 ( 3.688 -7.218 1.939) 8.335 13.591 ( 3.688 7.218 1.939) 8.335 14.091 ( -9.747 -0.715 -7.342) 12.224 14.091 ( -9.747 0.715 -7.342) 12.224 14.738 ( -0.707 -4.365 7.375) 8.599 14.738 ( -0.707 4.365 7.375) 8.599 15.172 ( -4.560 -3.402 -2.908) 6.390 15.172 ( -4.560 3.402 -2.908) 6.390 15.406 ( 0.053 -2.249 1.746) 2.848 15.406 ( 0.053 2.249 1.746) 2.848 16.187 ( -4.850 -5.197 -4.011) 8.162 16.187 ( -4.850 5.197 -4.011) 8.162 16.584 ( 1.318 -4.754 1.981) 5.317 16.584 ( 1.318 4.754 1.981) 5.317 16.965 ( 2.521 -4.964 -0.666) 5.607 16.965 ( 2.521 4.964 -0.666) 5.607 17.618 ( 3.649 -2.457 0.746) 4.461 17.618 ( 3.649 2.457 0.746) 4.461 17.907 ( 5.524 -3.625 -1.515) 6.779 17.907 ( 5.524 3.625 -1.515) 6.779 18.492 ( 2.144 -6.000 2.512) 6.849 18.492 ( 2.144 6.000 2.512) 6.849 18.939 ( -2.522 -2.943 -2.287) 4.500 18.939 ( -2.522 2.943 -2.287) 4.500 19.358 ( -1.784 -3.034 1.078) 3.681 19.358 ( -1.784 3.034 1.078) 3.681 19.506 ( -1.979 -2.400 -0.282) 3.124 19.506 ( -1.979 2.400 -0.282) 3.124 20.167 ( 3.287 -7.458 4.718) 9.417 20.167 ( 3.287 7.458 4.718) 9.417 20.694 ( -1.727 -5.762 -6.067) 8.544 20.694 ( -1.727 5.762 -6.067) 8.544 21.209 ( -1.211 -5.602 1.168) 5.849 21.209 ( -1.211 5.602 1.168) 5.849 21.471 ( -2.533 -2.340 -7.722) 8.457 21.471 ( -2.533 2.340 -7.722) 8.457 22.048 ( -0.212 -0.927 4.531) 4.630 22.048 ( -0.212 0.927 4.531) 4.630 22.651 ( -0.139 -4.424 -0.114) 4.427 22.651 ( -0.139 4.424 -0.114) 4.427 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 6.609 -13.562 11.112) 18.737 1.797 ( 6.609 13.562 11.112) 18.737 1.933 ( 9.868 -13.387 6.518) 17.862 1.933 ( 9.868 13.387 6.518) 17.862 2.473 ( -0.616 -5.820 -7.562) 9.562 2.473 ( -0.616 5.820 -7.562) 9.562 2.709 ( 3.016 -5.471 -5.952) 8.629 2.709 ( 3.016 5.471 -5.952) 8.629 2.864 ( 1.163 -1.537 -1.681) 2.558 2.864 ( 1.163 1.537 -1.681) 2.558 3.037 ( 1.062 -5.228 2.831) 6.040 3.037 ( 1.062 5.228 2.831) 6.040 3.240 ( -1.524 -3.168 3.056) 4.658 3.240 ( -1.524 3.168 3.056) 4.658 3.452 ( 5.319 -6.965 3.318) 9.371 3.452 ( 5.319 6.965 3.318) 9.371 3.561 ( 1.676 -6.786 -2.992) 7.603 3.561 ( 1.676 6.786 -2.992) 7.603 3.770 ( -4.803 -1.644 -0.458) 5.097 3.770 ( -4.803 1.644 -0.458) 5.097 4.011 ( 2.328 -9.484 2.436) 10.065 4.011 ( 2.328 9.484 2.436) 10.065 4.575 ( 2.017 -4.930 -7.262) 9.006 4.575 ( 2.017 4.930 -7.262) 9.006 4.899 ( -1.002 -5.673 0.183) 5.763 4.899 ( -1.002 5.673 0.183) 5.763 5.234 ( -4.434 -2.783 -2.126) 5.650 5.234 ( -4.434 2.783 -2.126) 5.650 5.525 ( 0.732 -4.343 4.356) 6.194 5.525 ( 0.732 4.343 4.356) 6.194 5.737 ( -0.172 -8.502 -1.736) 8.679 5.737 ( -0.172 8.502 -1.736) 8.679 5.965 ( 7.814 -4.054 -1.111) 8.873 5.965 ( 7.814 4.054 -1.111) 8.873 6.057 ( 2.208 -3.613 -1.141) 4.385 6.057 ( 2.208 3.613 -1.141) 4.385 6.313 ( -1.275 -3.851 1.854) 4.461 6.313 ( -1.275 3.851 1.854) 4.461 6.397 ( -0.518 -4.109 2.073) 4.631 6.397 ( -0.518 4.109 2.073) 4.631 7.571 ( 0.253 -4.870 1.779) 5.191 7.571 ( 0.253 4.870 1.779) 5.191 7.879 ( -2.177 -4.666 -1.337) 5.319 7.879 ( -2.177 4.666 -1.337) 5.319 8.130 ( -1.601 -3.907 0.842) 4.306 8.130 ( -1.601 3.907 0.842) 4.306 8.332 ( -3.827 -4.667 0.311) 6.044 8.332 ( -3.827 4.667 0.311) 6.044 8.713 ( -4.645 -6.722 2.126) 8.443 8.713 ( -4.645 6.722 2.126) 8.443 8.952 ( -5.287 -5.442 -2.791) 8.085 8.952 ( -5.287 5.442 -2.791) 8.085 9.670 ( 2.825 -3.320 2.985) 5.283 9.670 ( 2.825 3.320 2.985) 5.283 9.940 ( 0.213 -2.698 -3.245) 4.226 9.940 ( 0.213 2.698 -3.245) 4.226 10.285 ( 3.772 -2.786 -1.107) 4.818 10.285 ( 3.772 2.786 -1.107) 4.818 10.468 ( 6.132 -1.344 -1.356) 6.422 10.468 ( 6.132 1.344 -1.356) 6.422 11.377 ( 8.336 -1.383 0.755) 8.483 11.377 ( 8.336 1.383 0.755) 8.483 11.588 ( 9.830 -3.270 -4.956) 11.484 11.588 ( 9.830 3.270 -4.956) 11.484 12.425 ( 1.204 -2.120 10.500) 10.779 12.425 ( 1.204 2.120 10.500) 10.779 12.960 ( -0.519 -2.455 -1.178) 2.772 12.960 ( -0.519 2.455 -1.178) 2.772 13.660 ( 1.741 -8.257 1.792) 8.627 13.660 ( 1.741 8.257 1.792) 8.627 13.908 ( -6.288 -6.289 -3.752) 9.652 13.908 ( -6.288 6.289 -3.752) 9.652 14.728 ( -0.315 -3.620 2.822) 4.601 14.728 ( -0.315 3.620 2.822) 4.601 15.071 ( -5.324 -2.464 -2.309) 6.305 15.071 ( -5.324 2.464 -2.309) 6.305 15.383 ( -2.293 -2.429 4.453) 5.567 15.383 ( -2.293 2.429 4.453) 5.567 16.049 ( -9.009 -6.692 -5.593) 12.539 16.049 ( -9.009 6.692 -5.593) 12.539 16.628 ( 3.190 -2.271 1.915) 4.359 16.628 ( 3.190 2.271 1.915) 4.359 17.025 ( 3.435 -5.016 0.604) 6.110 17.025 ( 3.435 5.016 0.604) 6.110 17.712 ( 5.258 -3.279 0.716) 6.237 17.712 ( 5.258 3.279 0.716) 6.237 18.018 ( 5.131 -4.413 -3.029) 7.414 18.018 ( 5.131 4.413 -3.029) 7.414 18.544 ( 3.114 -5.916 1.338) 6.818 18.544 ( 3.114 5.916 1.338) 6.818 18.863 ( -4.769 -3.676 -0.696) 6.062 18.863 ( -4.769 3.676 -0.696) 6.062 19.345 ( 0.186 -4.440 1.157) 4.592 19.345 ( 0.186 4.440 1.157) 4.592 19.472 ( -0.691 -3.289 -0.523) 3.402 19.472 ( -0.691 3.289 -0.523) 3.402 20.231 ( 2.807 -7.235 3.436) 8.487 20.231 ( 2.807 7.235 3.436) 8.487 20.652 ( -2.473 -6.996 -3.902) 8.383 20.652 ( -2.473 6.996 -3.902) 8.383 21.180 ( -1.625 -5.333 0.869) 5.642 21.180 ( -1.625 5.333 0.869) 5.642 21.399 ( -4.700 -4.752 -5.358) 8.566 21.399 ( -4.700 4.752 -5.358) 8.566 22.059 ( 1.558 -2.325 3.499) 4.480 22.059 ( 1.558 2.325 3.499) 4.480 22.631 ( -2.106 -4.345 -1.117) 4.956 22.631 ( -2.106 4.345 -1.117) 4.956 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 10.031 -7.506 7.020) 14.361 1.958 ( 10.031 7.506 7.020) 14.361 2.131 ( 9.431 -6.919 3.954) 12.347 2.131 ( 9.431 6.919 3.954) 12.347 2.454 ( -0.553 -3.509 -2.840) 4.548 2.454 ( -0.553 3.509 -2.840) 4.548 2.732 ( -1.264 -0.943 -4.384) 4.659 2.732 ( -1.264 0.943 -4.384) 4.659 2.902 ( 2.827 -1.000 -5.120) 5.933 2.902 ( 2.827 1.000 -5.120) 5.933 3.029 ( -2.954 -4.015 0.477) 5.007 3.029 ( -2.954 4.015 0.477) 5.007 3.171 ( -3.756 -3.012 1.000) 4.917 3.171 ( -3.756 3.012 1.000) 4.917 3.480 ( -2.985 -4.531 -1.131) 5.542 3.480 ( -2.985 4.531 -1.131) 5.542 3.594 ( 1.172 -5.412 1.515) 5.741 3.594 ( 1.172 5.412 1.515) 5.741 3.730 ( 0.635 -3.092 0.150) 3.160 3.730 ( 0.635 3.092 0.150) 3.160 4.116 ( 7.942 -10.534 3.887) 13.753 4.116 ( 7.942 10.534 3.887) 13.753 4.595 ( 0.231 -5.207 0.260) 5.218 4.595 ( 0.231 5.207 0.260) 5.218 4.904 ( 1.141 -5.695 -3.126) 6.596 4.904 ( 1.141 5.695 -3.126) 6.596 5.154 ( -3.657 -5.211 -1.996) 6.672 5.154 ( -3.657 5.211 -1.996) 6.672 5.529 ( -0.199 -2.292 3.429) 4.129 5.529 ( -0.199 2.292 3.429) 4.129 5.693 ( -3.259 -8.357 -1.108) 9.039 5.693 ( -3.259 8.357 -1.108) 9.039 6.060 ( 1.810 -4.877 0.708) 5.250 6.060 ( 1.810 4.877 0.708) 5.250 6.153 ( 6.447 -6.694 -1.777) 9.463 6.153 ( 6.447 6.694 -1.777) 9.463 6.308 ( 1.191 -2.994 0.515) 3.263 6.308 ( 1.191 2.994 0.515) 3.263 6.402 ( 0.755 -4.112 1.216) 4.354 6.402 ( 0.755 4.112 1.216) 4.354 7.595 ( 2.277 -5.499 2.013) 6.284 7.595 ( 2.277 5.499 2.013) 6.284 7.838 ( -2.108 -4.166 -1.242) 4.832 7.838 ( -2.108 4.166 -1.242) 4.832 8.074 ( -4.024 -4.311 1.537) 6.094 8.074 ( -4.024 4.311 1.537) 6.094 8.226 ( -6.999 -5.924 -0.331) 9.175 8.226 ( -6.999 5.924 -0.331) 9.175 8.651 ( -1.100 -7.427 1.939) 7.755 8.651 ( -1.100 7.427 1.939) 7.755 8.879 ( -2.536 -4.424 -2.706) 5.773 8.879 ( -2.536 4.424 -2.706) 5.773 9.728 ( 2.860 -2.519 2.062) 4.334 9.728 ( 2.860 2.519 2.062) 4.334 9.925 ( -1.383 -2.914 -2.186) 3.896 9.925 ( -1.383 2.914 -2.186) 3.896 10.347 ( 2.685 -2.932 0.928) 4.082 10.347 ( 2.685 2.932 0.928) 4.082 10.590 ( 5.878 -0.731 -3.072) 6.673 10.590 ( 5.878 0.731 -3.072) 6.673 11.521 ( 5.952 -2.434 1.332) 6.567 11.521 ( 5.952 2.434 1.332) 6.567 11.742 ( 5.523 -2.898 -5.015) 8.003 11.742 ( 5.523 2.898 -5.015) 8.003 12.474 ( 3.689 -1.627 8.534) 9.439 12.474 ( 3.689 1.627 8.534) 9.439 12.933 ( -2.470 -4.119 -1.522) 5.038 12.933 ( -2.470 4.119 -1.522) 5.038 13.645 ( -0.710 -7.104 -0.443) 7.153 13.645 ( -0.710 7.104 -0.443) 7.153 13.884 ( 1.321 -9.364 0.413) 9.465 13.884 ( 1.321 9.364 0.413) 9.465 14.724 ( -0.076 -2.848 0.928) 2.997 14.724 ( -0.076 2.848 0.928) 2.997 14.984 ( -3.431 -2.272 -1.876) 4.522 14.984 ( -3.431 2.272 -1.876) 4.522 15.331 ( -2.409 -3.489 5.132) 6.657 15.331 ( -2.409 3.489 5.132) 6.657 15.857 ( -10.206 -6.420 -5.736) 13.352 15.857 ( -10.206 6.420 -5.736) 13.352 16.703 ( 4.316 -1.486 2.546) 5.226 16.703 ( 4.316 1.486 2.546) 5.226 17.083 ( 2.140 -6.217 -0.007) 6.575 17.083 ( 2.140 6.217 -0.007) 6.575 17.810 ( 4.850 -2.384 0.606) 5.438 17.810 ( 4.850 2.384 0.606) 5.438 18.083 ( 1.254 -4.868 -3.462) 6.104 18.083 ( 1.254 4.868 -3.462) 6.104 18.611 ( 3.680 -5.360 0.813) 6.552 18.611 ( 3.680 5.360 0.813) 6.552 18.780 ( -3.163 -5.007 0.284) 5.929 18.780 ( -3.163 5.007 0.284) 5.929 19.352 ( 0.626 -4.118 1.611) 4.466 19.352 ( 0.626 4.118 1.611) 4.466 19.484 ( 1.243 -2.818 -1.166) 3.293 19.484 ( 1.243 2.818 -1.166) 3.293 20.275 ( 2.055 -8.674 2.044) 9.146 20.275 ( 2.055 8.674 2.044) 9.146 20.597 ( -3.381 -8.112 -2.035) 9.021 20.597 ( -3.381 8.112 -2.035) 9.021 21.151 ( -1.201 -5.234 0.053) 5.370 21.151 ( -1.201 5.234 0.053) 5.370 21.300 ( -5.048 -4.715 -3.233) 7.627 21.300 ( -5.048 4.715 -3.233) 7.627 22.107 ( 3.207 -2.612 2.813) 5.003 22.107 ( 3.207 2.612 2.813) 5.003 22.570 ( -3.961 -3.731 -1.528) 5.652 22.570 ( -3.961 3.731 -1.528) 5.652 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 8.957 -1.171 2.383) 9.342 2.162 ( 8.957 1.171 2.383) 9.342 2.266 ( 5.257 -3.433 2.180) 6.646 2.266 ( 5.257 3.433 2.180) 6.646 2.488 ( 3.859 -1.865 0.527) 4.318 2.488 ( 3.859 1.865 0.527) 4.318 2.677 ( -3.630 -1.908 -6.113) 7.361 2.677 ( -3.630 1.908 -6.113) 7.361 2.889 ( -5.496 -2.154 -1.684) 6.138 2.889 ( -5.496 2.154 -1.684) 6.138 2.954 ( -3.439 -3.019 -1.834) 4.930 2.954 ( -3.439 3.019 -1.834) 4.930 3.152 ( 2.746 -3.427 2.590) 5.099 3.152 ( 2.746 3.427 2.590) 5.099 3.400 ( -4.428 -3.030 -1.256) 5.511 3.400 ( -4.428 3.030 -1.256) 5.511 3.613 ( 1.096 -6.960 0.359) 7.055 3.613 ( 1.096 6.960 0.359) 7.055 3.731 ( -0.988 -2.897 -0.254) 3.071 3.731 ( -0.988 2.897 -0.254) 3.071 4.276 ( 7.240 -5.626 4.414) 10.176 4.276 ( 7.240 5.626 4.414) 10.176 4.595 ( -0.171 -5.154 2.225) 5.616 4.595 ( -0.171 5.154 2.225) 5.616 4.926 ( 0.941 -5.468 -1.955) 5.883 4.926 ( 0.941 5.468 -1.955) 5.883 5.090 ( -2.837 -4.496 -2.221) 5.761 5.090 ( -2.837 4.496 -2.221) 5.761 5.533 ( 1.058 -2.276 2.020) 3.222 5.533 ( 1.058 2.276 2.020) 3.222 5.633 ( -2.793 -6.732 -0.357) 7.297 5.633 ( -2.793 6.732 -0.357) 7.297 6.084 ( 0.897 -3.465 0.641) 3.637 6.084 ( 0.897 3.465 0.641) 3.637 6.225 ( 0.991 -3.931 -3.744) 5.518 6.225 ( 0.991 3.931 -3.744) 5.518 6.362 ( 3.605 -3.151 1.629) 5.058 6.362 ( 3.605 3.151 1.629) 5.058 6.423 ( 1.087 -4.412 1.228) 4.707 6.423 ( 1.087 4.412 1.228) 4.707 7.654 ( 3.498 -6.198 1.439) 7.261 7.654 ( 3.498 6.198 1.439) 7.261 7.795 ( -2.472 -4.881 -0.750) 5.523 7.795 ( -2.472 4.881 -0.750) 5.523 7.990 ( -3.794 -3.074 2.035) 5.290 7.990 ( -3.794 3.074 2.035) 5.290 8.092 ( -5.750 -4.192 0.159) 7.118 8.092 ( -5.750 4.192 0.159) 7.118 8.664 ( 1.860 -5.889 0.874) 6.237 8.664 ( 1.860 5.889 0.874) 6.237 8.839 ( -1.771 -3.452 -2.531) 4.632 8.839 ( -1.771 3.452 -2.531) 4.632 9.780 ( 2.580 -1.536 0.976) 3.158 9.780 ( 2.580 1.536 0.976) 3.158 9.889 ( -2.302 -2.351 -1.091) 3.467 9.889 ( -2.302 2.351 -1.091) 3.467 10.390 ( 1.697 -1.989 2.154) 3.388 10.390 ( 1.697 1.989 2.154) 3.388 10.682 ( 3.332 -0.343 -3.901) 5.142 10.682 ( 3.332 0.343 -3.901) 5.142 11.603 ( 2.585 -1.781 1.695) 3.567 11.603 ( 2.585 1.781 1.695) 3.567 11.806 ( 1.534 -1.850 -4.036) 4.698 11.806 ( 1.534 1.850 -4.036) 4.698 12.554 ( 3.926 -1.568 5.962) 7.309 12.554 ( 3.926 1.568 5.962) 7.309 12.870 ( -3.485 -3.740 -1.300) 5.275 12.870 ( -3.485 3.740 -1.300) 5.275 13.688 ( 4.762 -7.379 -0.569) 8.801 13.688 ( 4.762 7.379 -0.569) 8.801 13.882 ( -2.160 -7.897 0.929) 8.240 13.882 ( -2.160 7.897 0.929) 8.240 14.731 ( 0.956 -1.427 1.232) 2.113 14.731 ( 0.956 1.427 1.232) 2.113 14.929 ( -2.652 -1.308 -1.503) 3.318 14.929 ( -2.652 1.308 -1.503) 3.318 15.315 ( 1.147 -3.460 3.568) 5.101 15.315 ( 1.147 3.460 3.568) 5.101 15.670 ( -8.445 -5.121 -4.267) 10.759 15.670 ( -8.445 5.121 -4.267) 10.759 16.784 ( 3.561 -1.174 3.179) 4.916 16.784 ( 3.561 1.174 3.179) 4.916 17.101 ( -0.145 -4.414 -1.519) 4.670 17.101 ( -0.145 4.414 -1.519) 4.670 17.902 ( 4.610 -3.727 0.112) 5.929 17.902 ( 4.610 3.727 0.112) 5.929 18.070 ( -2.190 -6.631 -2.653) 7.470 18.070 ( -2.190 6.631 -2.653) 7.470 18.669 ( 1.669 -5.575 1.344) 5.973 18.669 ( 1.669 5.575 1.344) 5.973 18.753 ( 0.296 -6.609 0.378) 6.627 18.753 ( 0.296 6.609 0.378) 6.627 19.378 ( 2.146 -3.193 0.959) 3.965 19.378 ( 2.146 3.193 0.959) 3.965 19.492 ( -0.852 -1.450 -1.217) 2.075 19.492 ( -0.852 1.450 -1.217) 2.075 20.326 ( 3.382 -9.488 0.922) 10.114 20.326 ( 3.382 9.488 0.922) 10.114 20.517 ( -4.828 -9.008 -0.908) 10.261 20.517 ( -4.828 9.008 -0.908) 10.261 21.138 ( -0.067 -4.036 -0.689) 4.095 21.138 ( -0.067 4.036 -0.689) 4.095 21.216 ( -3.463 -2.801 -1.768) 4.792 21.216 ( -3.463 2.801 -1.768) 4.792 22.174 ( 3.371 -1.920 2.745) 4.752 22.174 ( 3.371 1.920 2.745) 4.752 22.489 ( -4.011 -2.685 -1.740) 5.130 22.489 ( -4.011 2.685 -1.740) 5.130 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 -0.000 0.381) 0.381 2.230 ( 0.000 0.000 0.381) 0.381 2.363 ( 0.000 0.000 1.453) 1.453 2.363 ( 0.000 0.000 1.453) 1.453 2.555 ( -0.000 0.000 -0.051) 0.051 2.555 ( 0.000 0.000 -0.051) 0.051 2.602 ( 0.000 -0.000 -3.874) 3.874 2.602 ( 0.000 0.000 -3.874) 3.874 2.843 ( 0.000 -0.000 -2.366) 2.366 2.843 ( 0.000 0.000 -2.366) 2.366 2.880 ( -0.000 -0.000 -0.871) 0.871 2.880 ( 0.000 0.000 -0.871) 0.871 3.218 ( 0.000 0.000 2.748) 2.748 3.218 ( 0.000 0.000 2.748) 2.748 3.331 ( -0.000 -0.000 0.934) 0.934 3.331 ( 0.000 0.000 0.934) 0.934 3.631 ( 0.000 0.000 -0.996) 0.996 3.631 ( 0.000 0.000 -0.996) 0.996 3.711 ( 0.000 -0.000 -1.304) 1.304 3.711 ( 0.000 0.000 -1.304) 1.304 4.355 ( 0.000 0.000 4.497) 4.497 4.355 ( 0.000 0.000 4.497) 4.497 4.590 ( 0.000 0.000 1.646) 1.646 4.590 ( 0.000 0.000 1.646) 1.646 4.937 ( 0.000 -0.000 -0.727) 0.727 4.937 ( 0.000 0.000 -0.727) 0.727 5.058 ( 0.000 -0.000 -1.926) 1.926 5.058 ( 0.000 0.000 -1.926) 1.926 5.559 ( 0.000 -0.000 0.948) 0.948 5.559 ( 0.000 0.000 0.948) 0.948 5.593 ( -0.000 -0.000 0.409) 0.409 5.593 ( 0.000 0.000 0.409) 0.409 6.094 ( 0.000 -0.000 0.375) 0.375 6.094 ( 0.000 0.000 0.375) 0.375 6.228 ( 0.000 -0.000 -4.388) 4.388 6.228 ( 0.000 0.000 -4.388) 4.388 6.406 ( 0.000 -0.000 2.244) 2.244 6.406 ( 0.000 0.000 2.244) 2.244 6.432 ( 0.000 -0.000 1.028) 1.028 6.432 ( 0.000 0.000 1.028) 1.028 7.710 ( -0.000 -0.000 0.149) 0.149 7.710 ( 0.000 -0.000 0.149) 0.149 7.749 ( 0.000 0.000 0.501) 0.501 7.749 ( 0.000 0.000 0.501) 0.501 7.954 ( 0.000 -0.000 2.423) 2.423 7.954 ( -0.000 0.000 2.423) 2.423 8.030 ( 0.000 0.000 0.249) 0.249 8.030 ( 0.000 0.000 0.249) 0.249 8.691 ( 0.000 0.000 0.351) 0.351 8.691 ( 0.000 0.000 0.351) 0.351 8.817 ( 0.000 -0.000 -2.441) 2.441 8.817 ( 0.000 0.000 -2.441) 2.441 9.821 ( 0.000 -0.000 0.209) 0.209 9.821 ( 0.000 0.000 0.209) 0.209 9.849 ( 0.000 -0.000 -0.300) 0.300 9.849 ( -0.000 0.000 -0.300) 0.300 10.408 ( 0.000 0.000 2.546) 2.546 10.408 ( 0.000 0.000 2.546) 2.546 10.715 ( 0.000 0.000 -4.171) 4.171 10.715 ( 0.000 0.000 -4.171) 4.171 11.627 ( 0.000 -0.000 1.845) 1.845 11.627 ( 0.000 0.000 1.845) 1.845 11.819 ( 0.000 -0.000 -3.618) 3.618 11.819 ( 0.000 0.000 -3.618) 3.618 12.599 ( 0.000 0.000 4.918) 4.918 12.599 ( 0.000 0.000 4.918) 4.918 12.828 ( 0.000 -0.000 -1.108) 1.108 12.828 ( 0.000 0.000 -1.108) 1.108 13.783 ( -0.000 -0.000 0.410) 0.410 13.783 ( 0.000 0.000 0.410) 0.410 13.817 ( 0.000 -0.000 -0.229) 0.229 13.817 ( 0.000 0.000 -0.229) 0.229 14.748 ( 0.000 0.000 1.794) 1.794 14.748 ( 0.000 0.000 1.794) 1.794 14.893 ( -0.000 0.000 -0.993) 0.993 14.893 ( 0.000 0.000 -0.993) 0.993 15.345 ( 0.000 0.000 1.749) 1.749 15.345 ( 0.000 0.000 1.749) 1.749 15.570 ( 0.000 0.000 -2.974) 2.974 15.570 ( 0.000 0.000 -2.974) 2.974 16.822 ( 0.000 0.000 3.589) 3.589 16.822 ( 0.000 0.000 3.589) 3.589 17.095 ( 0.000 0.000 -2.353) 2.353 17.095 ( 0.000 0.000 -2.353) 2.353 17.967 ( 0.000 0.000 -0.552) 0.552 17.967 ( 0.000 0.000 -0.552) 0.552 18.028 ( -0.000 -0.000 -1.870) 1.870 18.028 ( 0.000 0.000 -1.870) 1.870 18.682 ( 0.000 -0.000 2.164) 2.164 18.682 ( 0.000 0.000 2.164) 2.164 18.763 ( 0.000 -0.000 0.029) 0.029 18.763 ( 0.000 0.000 0.029) 0.029 19.416 ( 0.000 -0.000 0.047) 0.047 19.416 ( 0.000 0.000 0.047) 0.047 19.466 ( -0.000 -0.000 -0.818) 0.818 19.466 ( 0.000 0.000 -0.818) 0.818 20.393 ( -0.000 0.000 0.293) 0.293 20.393 ( 0.000 0.000 0.293) 0.293 20.434 ( 0.000 -0.000 -0.357) 0.357 20.434 ( 0.000 -0.000 -0.357) 0.357 21.144 ( -0.000 -0.000 -0.791) 0.791 21.144 ( 0.000 0.000 -0.791) 0.791 21.175 ( 0.000 -0.000 -1.382) 1.382 21.175 ( 0.000 0.000 -1.382) 1.382 22.215 ( 0.000 0.000 3.050) 3.050 22.215 ( 0.000 0.000 3.050) 3.050 22.441 ( 0.000 0.000 -2.076) 2.076 22.441 ( 0.000 0.000 -2.076) 2.076 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 0.000 25.382) 25.382 1.219 ( 0.000 0.000 27.760) 27.760 1.607 ( 0.000 0.000 -22.160) 22.160 1.735 ( 0.000 0.000 -19.207) 19.207 2.211 ( 0.000 0.000 42.128) 42.128 2.621 ( 0.000 0.000 11.018) 11.018 2.664 ( 0.000 0.000 3.425) 3.425 2.752 ( 0.000 0.000 -4.133) 4.133 2.777 ( 0.000 0.000 -0.976) 0.976 2.882 ( 0.000 0.000 1.666) 1.666 2.928 ( 0.000 0.000 -2.121) 2.121 3.103 ( 0.000 0.000 3.662) 3.662 3.122 ( 0.000 0.000 -31.541) 31.541 3.208 ( 0.000 0.000 -5.618) 5.618 3.380 ( 0.000 0.000 3.666) 3.666 3.449 ( 0.000 0.000 -3.329) 3.329 3.531 ( 0.000 0.000 6.167) 6.167 3.609 ( 0.000 0.000 -4.490) 4.490 3.835 ( 0.000 0.000 1.223) 1.223 3.897 ( 0.000 0.000 -6.043) 6.043 4.030 ( 0.000 0.000 3.688) 3.688 4.139 ( 0.000 0.000 -5.734) 5.734 4.599 ( 0.000 0.000 4.254) 4.254 4.727 ( 0.000 0.000 -7.433) 7.433 4.929 ( 0.000 0.000 2.102) 2.102 4.964 ( 0.000 0.000 1.584) 1.584 5.051 ( 0.000 0.000 2.372) 2.372 5.087 ( 0.000 0.000 -1.370) 1.370 5.183 ( 0.000 0.000 2.929) 2.929 5.302 ( 0.000 0.000 -5.160) 5.160 5.631 ( 0.000 0.000 -0.402) 0.402 5.633 ( 0.000 0.000 -0.388) 0.388 5.746 ( 0.000 0.000 4.305) 4.305 5.799 ( 0.000 0.000 -0.359) 0.359 6.029 ( 0.000 0.000 2.705) 2.705 6.082 ( 0.000 0.000 -2.066) 2.066 6.359 ( 0.000 0.000 2.315) 2.315 6.413 ( 0.000 0.000 -2.310) 2.310 6.727 ( 0.000 0.000 4.986) 4.986 6.807 ( 0.000 0.000 -2.899) 2.899 7.391 ( 0.000 0.000 2.142) 2.142 7.451 ( 0.000 0.000 -3.686) 3.686 7.940 ( 0.000 0.000 0.079) 0.079 7.945 ( 0.000 0.000 -0.276) 0.276 8.213 ( 0.000 0.000 1.954) 1.954 8.259 ( 0.000 0.000 -2.352) 2.352 8.463 ( 0.000 0.000 5.492) 5.492 8.544 ( 0.000 0.000 -1.492) 1.492 8.838 ( 0.000 0.000 -0.375) 0.375 8.885 ( 0.000 0.000 -4.031) 4.031 9.188 ( 0.000 0.000 1.597) 1.597 9.212 ( 0.000 0.000 -0.732) 0.732 9.706 ( 0.000 0.000 4.509) 4.509 9.761 ( 0.000 0.000 3.796) 3.796 9.779 ( 0.000 0.000 -2.183) 2.183 9.809 ( 0.000 0.000 -0.728) 0.728 10.165 ( 0.000 0.000 0.128) 0.128 10.197 ( 0.000 0.000 -3.048) 3.048 10.256 ( 0.000 0.000 -0.829) 0.829 10.280 ( 0.000 0.000 -2.659) 2.659 10.769 ( 0.000 0.000 3.254) 3.254 10.831 ( 0.000 0.000 -2.756) 2.756 11.519 ( 0.000 0.000 4.238) 4.238 11.619 ( 0.000 0.000 -5.236) 5.236 12.698 ( 0.000 0.000 8.255) 8.255 12.836 ( 0.000 0.000 -4.732) 4.732 13.008 ( 0.000 0.000 1.548) 1.548 13.048 ( 0.000 0.000 -2.175) 2.175 13.704 ( 0.000 0.000 0.157) 0.157 13.715 ( 0.000 0.000 -0.705) 0.705 13.866 ( 0.000 0.000 5.230) 5.230 14.001 ( 0.000 0.000 -7.786) 7.786 14.683 ( 0.000 0.000 0.976) 0.976 14.706 ( 0.000 0.000 -1.294) 1.294 15.233 ( 0.000 0.000 8.877) 8.877 15.272 ( 0.000 0.000 1.805) 1.805 15.297 ( 0.000 0.000 -1.417) 1.417 15.388 ( 0.000 0.000 -5.046) 5.046 16.144 ( 0.000 0.000 4.168) 4.168 16.225 ( 0.000 0.000 -3.643) 3.643 16.533 ( 0.000 0.000 -0.930) 0.930 16.560 ( 0.000 0.000 -3.834) 3.834 17.248 ( 0.000 0.000 1.006) 1.006 17.269 ( 0.000 0.000 -1.236) 1.236 17.431 ( 0.000 0.000 4.948) 4.948 17.499 ( 0.000 0.000 -1.439) 1.439 18.117 ( 0.000 0.000 1.076) 1.076 18.148 ( 0.000 0.000 -1.787) 1.787 18.312 ( 0.000 0.000 6.125) 6.125 18.450 ( 0.000 0.000 -6.903) 6.903 18.803 ( 0.000 0.000 2.104) 2.104 18.838 ( 0.000 0.000 -1.176) 1.176 19.346 ( 0.000 0.000 2.052) 2.052 19.392 ( 0.000 0.000 -1.980) 1.980 19.414 ( 0.000 0.000 1.600) 1.600 19.456 ( 0.000 0.000 -2.671) 2.671 19.830 ( 0.000 0.000 0.662) 0.662 19.845 ( 0.000 0.000 -0.809) 0.809 20.583 ( 0.000 0.000 3.666) 3.666 20.646 ( 0.000 0.000 -2.442) 2.442 20.997 ( 0.000 0.000 12.099) 12.099 21.242 ( 0.000 0.000 -9.916) 9.916 21.354 ( 0.000 0.000 -0.619) 0.619 21.381 ( 0.000 0.000 -2.158) 2.158 22.186 ( 0.000 0.000 1.394) 1.394 22.213 ( 0.000 0.000 -1.256) 1.256 22.797 ( 0.000 0.000 1.316) 1.316 22.824 ( 0.000 0.000 -1.243) 1.243 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 12.396 0.000 21.748) 25.032 1.377 ( 13.581 0.000 21.518) 25.445 1.719 ( 10.337 0.000 -19.483) 22.055 1.843 ( 9.732 0.000 -17.922) 20.394 2.356 ( 14.892 0.000 38.031) 40.843 2.623 ( 0.514 0.000 11.658) 11.670 2.713 ( 4.363 0.000 3.875) 5.835 2.762 ( 1.198 0.000 -3.778) 3.963 2.797 ( 1.418 0.000 -0.169) 1.428 2.872 ( -0.913 0.000 -0.005) 0.914 2.903 ( -2.464 0.000 -3.098) 3.958 3.061 ( -1.572 0.000 -3.226) 3.589 3.193 ( -1.205 0.000 -4.988) 5.132 3.217 ( 5.569 0.000 -17.593) 18.454 3.371 ( 0.006 0.000 3.075) 3.075 3.438 ( -1.115 0.000 -3.845) 4.003 3.522 ( -0.685 0.000 4.038) 4.095 3.574 ( -2.662 0.000 -4.549) 5.271 3.818 ( -1.915 0.000 0.121) 1.919 3.874 ( -2.873 0.000 -5.733) 6.413 3.978 ( -4.339 0.000 3.329) 5.469 4.089 ( -4.497 0.000 -6.476) 7.884 4.572 ( -2.722 0.000 5.814) 6.420 4.715 ( -1.699 0.000 -7.038) 7.240 4.904 ( -1.654 0.000 4.591) 4.880 4.994 ( 2.113 0.000 -2.407) 3.203 5.064 ( 0.956 0.000 -0.683) 1.175 5.073 ( 0.244 0.000 -0.570) 0.620 5.203 ( 0.206 0.000 4.666) 4.671 5.307 ( 1.226 0.000 -3.269) 3.491 5.597 ( -0.063 0.000 1.301) 1.303 5.633 ( -0.584 0.000 -1.524) 1.632 5.819 ( 5.452 0.000 2.835) 6.145 5.866 ( 4.897 0.000 -1.014) 5.001 6.087 ( 5.706 0.000 2.059) 6.067 6.135 ( 5.321 0.000 -2.148) 5.739 6.366 ( 0.565 0.000 3.615) 3.659 6.433 ( 1.788 0.000 -2.541) 3.107 6.681 ( -4.501 0.000 4.802) 6.581 6.762 ( -4.794 0.000 -3.020) 5.666 7.396 ( 0.606 0.000 2.189) 2.272 7.458 ( 0.707 0.000 -3.800) 3.865 7.927 ( -1.382 0.000 0.365) 1.429 7.932 ( -1.122 0.000 -0.077) 1.125 8.179 ( -2.766 0.000 2.734) 3.889 8.226 ( -2.551 0.000 -1.344) 2.883 8.486 ( 1.491 0.000 5.749) 5.939 8.574 ( 2.791 0.000 -1.528) 3.182 8.703 ( -10.255 0.000 -0.224) 10.257 8.763 ( -9.631 0.000 -4.611) 10.678 9.221 ( 0.635 0.000 2.455) 2.536 9.272 ( 2.144 0.000 -2.407) 3.224 9.651 ( -2.638 0.000 3.208) 4.153 9.711 ( -2.451 0.000 -0.524) 2.506 9.783 ( -1.151 0.000 1.399) 1.812 9.832 ( -0.273 0.000 -1.899) 1.918 10.191 ( 2.125 0.000 2.057) 2.957 10.220 ( 2.681 0.000 -0.846) 2.811 10.306 ( 6.816 0.000 -1.100) 6.904 10.359 ( 6.457 0.000 -5.159) 8.265 10.877 ( 9.873 0.000 2.303) 10.138 10.921 ( 8.279 0.000 -1.838) 8.480 11.567 ( 4.559 0.000 3.404) 5.690 11.656 ( 3.605 0.000 -4.968) 6.138 12.692 ( -0.646 0.000 7.622) 7.649 12.820 ( -1.538 0.000 -4.521) 4.776 13.008 ( 0.072 0.000 2.692) 2.693 13.065 ( 0.910 0.000 -2.547) 2.705 13.461 ( -15.351 0.000 13.834) 20.664 13.663 ( -7.812 0.000 -5.825) 9.745 13.979 ( 4.486 0.000 -3.168) 5.492 13.993 ( 3.807 0.000 -3.622) 5.255 14.687 ( -1.083 0.000 0.907) 1.413 14.698 ( 0.276 0.000 -0.253) 0.374 15.077 ( -7.605 0.000 5.396) 9.325 15.155 ( -7.601 0.000 -2.363) 7.959 15.439 ( 2.712 0.000 0.887) 2.853 15.447 ( 5.447 0.000 -0.141) 5.449 16.051 ( -9.513 0.000 6.406) 11.468 16.199 ( -4.260 0.000 -7.340) 8.487 16.511 ( -0.112 0.000 -0.701) 0.710 16.534 ( -0.015 0.000 -2.609) 2.610 17.302 ( 2.957 0.000 3.965) 4.946 17.387 ( 7.154 0.000 -4.614) 8.513 17.416 ( 0.518 0.000 4.235) 4.267 17.488 ( 0.181 0.000 -2.612) 2.618 18.092 ( -1.570 0.000 2.981) 3.369 18.149 ( -0.240 0.000 -2.059) 2.073 18.317 ( 1.032 0.000 7.681) 7.750 18.486 ( 4.152 0.000 -8.345) 9.321 18.839 ( 3.325 0.000 1.691) 3.731 18.870 ( 2.872 0.000 -1.205) 3.115 19.344 ( -0.212 0.000 1.844) 1.856 19.392 ( 0.004 0.000 -2.733) 2.733 19.516 ( 5.728 0.000 1.606) 5.948 19.593 ( 11.820 0.000 -6.709) 13.591 19.847 ( 1.877 0.000 0.106) 1.880 19.852 ( 0.747 0.000 -0.257) 0.790 20.552 ( -1.484 0.000 3.973) 4.241 20.628 ( -1.500 0.000 -3.177) 3.513 21.019 ( 1.691 0.000 10.464) 10.600 21.234 ( -1.156 0.000 -9.266) 9.338 21.327 ( -1.964 0.000 2.392) 3.095 21.396 ( 0.808 0.000 -4.242) 4.318 22.179 ( -0.902 0.000 1.629) 1.862 22.210 ( -0.382 0.000 -1.349) 1.402 22.704 ( -6.967 0.000 5.414) 8.823 22.797 ( -3.688 0.000 -4.217) 5.602 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 17.344 0.000 15.363) 23.170 1.660 ( 14.975 0.000 14.248) 20.670 1.953 ( 12.671 0.000 -13.975) 18.864 2.040 ( 9.292 0.000 -12.705) 15.740 2.576 ( -0.284 0.000 11.887) 11.890 2.720 ( 5.021 0.000 5.765) 7.645 2.761 ( -3.923 0.000 2.188) 4.492 2.780 ( -0.721 0.000 -0.782) 1.064 2.826 ( 2.599 0.000 0.019) 2.599 2.883 ( 0.814 0.000 -0.202) 0.838 2.898 ( 13.875 0.000 7.589) 15.815 3.037 ( -1.531 0.000 0.663) 1.668 3.176 ( 0.306 0.000 -0.536) 0.617 3.258 ( -1.268 0.000 -0.810) 1.505 3.355 ( -2.888 0.000 1.729) 3.366 3.419 ( -2.448 0.000 -0.063) 2.449 3.503 ( -1.329 0.000 0.768) 1.535 3.604 ( 7.227 0.000 -12.545) 14.478 3.774 ( -1.212 0.000 -2.143) 2.462 3.804 ( -2.955 0.000 -3.988) 4.963 3.904 ( -2.255 0.000 1.355) 2.631 4.010 ( -1.757 0.000 -8.603) 8.781 4.500 ( -4.185 0.000 6.742) 7.935 4.642 ( -5.897 0.000 -5.341) 7.956 4.883 ( -0.968 0.000 4.097) 4.210 4.984 ( -2.925 0.000 -4.528) 5.391 5.103 ( 2.326 0.000 -0.423) 2.364 5.107 ( 3.829 0.000 -0.336) 3.843 5.227 ( 3.315 0.000 5.906) 6.773 5.355 ( 3.069 0.000 -4.992) 5.860 5.596 ( 0.063 0.000 4.467) 4.468 5.657 ( 2.052 0.000 -2.049) 2.900 5.905 ( 2.912 0.000 2.338) 3.735 5.946 ( 3.146 0.000 -1.655) 3.554 6.231 ( 8.251 0.000 0.951) 8.305 6.269 ( 7.082 0.000 -2.220) 7.422 6.376 ( 0.822 0.000 5.802) 5.860 6.468 ( 1.480 0.000 -3.040) 3.381 6.567 ( -6.472 0.000 3.018) 7.141 6.624 ( -8.887 0.000 -2.182) 9.151 7.418 ( 1.715 0.000 2.203) 2.792 7.479 ( 1.505 0.000 -3.639) 3.938 7.882 ( -2.811 0.000 2.225) 3.585 7.906 ( -1.864 0.000 -0.653) 1.975 8.133 ( -1.703 0.000 3.366) 3.773 8.182 ( -1.869 0.000 -0.828) 2.044 8.477 ( -7.189 0.000 4.183) 8.317 8.512 ( -5.137 0.000 1.907) 5.479 8.581 ( -6.840 0.000 -2.473) 7.273 8.639 ( 2.381 0.000 -4.798) 5.356 9.192 ( -2.736 0.000 1.613) 3.176 9.243 ( -3.920 0.000 -2.858) 4.852 9.617 ( -1.250 0.000 3.140) 3.380 9.678 ( -1.827 0.000 -0.627) 1.931 9.752 ( -1.518 0.000 -0.631) 1.644 9.788 ( -3.569 0.000 -2.514) 4.365 10.267 ( 5.729 0.000 4.457) 7.258 10.316 ( 6.340 0.000 -0.492) 6.359 10.458 ( 7.982 0.000 -1.514) 8.125 10.504 ( 7.623 0.000 -5.601) 9.459 11.099 ( 11.716 0.000 1.032) 11.761 11.114 ( 10.838 0.000 -0.203) 10.840 11.675 ( 5.970 0.000 1.886) 6.261 11.744 ( 4.911 0.000 -4.440) 6.620 12.676 ( -0.808 0.000 6.249) 6.301 12.782 ( -2.209 0.000 -3.852) 4.440 12.988 ( -5.084 0.000 8.002) 9.480 13.041 ( -1.562 0.000 1.915) 2.471 13.269 ( -2.339 0.000 6.751) 7.145 13.460 ( -11.252 0.000 -8.494) 14.099 14.046 ( 5.370 0.000 3.098) 6.199 14.146 ( 8.178 0.000 -6.388) 10.378 14.652 ( -1.762 0.000 2.829) 3.332 14.700 ( -0.449 0.000 -1.984) 2.034 14.958 ( -4.941 0.000 3.981) 6.345 15.032 ( -4.854 0.000 -3.213) 5.821 15.427 ( -3.066 0.000 5.632) 6.412 15.512 ( 0.658 0.000 -2.150) 2.249 15.825 ( -12.227 0.000 7.615) 14.405 16.034 ( -11.182 0.000 -12.063) 16.449 16.570 ( 5.557 0.000 0.308) 5.566 16.594 ( 5.183 0.000 -1.810) 5.490 17.255 ( -5.213 0.000 7.984) 9.535 17.397 ( -3.381 0.000 -5.781) 6.697 17.525 ( 7.914 0.000 1.878) 8.134 17.594 ( 7.767 0.000 -4.747) 9.103 18.082 ( 0.877 0.000 4.452) 4.538 18.150 ( 0.637 0.000 -1.693) 1.808 18.362 ( 3.345 0.000 10.589) 11.105 18.571 ( 3.048 0.000 -8.989) 9.492 18.922 ( 4.721 0.000 0.492) 4.747 18.943 ( 4.870 0.000 -1.288) 5.037 19.332 ( -1.068 0.000 1.861) 2.146 19.381 ( -1.009 0.000 -2.692) 2.875 19.598 ( 1.909 0.000 4.843) 5.205 19.744 ( 3.681 0.000 -8.595) 9.350 19.851 ( -1.137 0.000 0.999) 1.514 19.885 ( 0.130 0.000 -3.902) 3.904 20.579 ( 4.334 0.000 2.318) 4.915 20.627 ( 2.072 0.000 -2.129) 2.971 21.042 ( 0.456 0.000 6.881) 6.896 21.186 ( -3.663 0.000 -6.251) 7.245 21.296 ( -0.987 0.000 4.428) 4.537 21.405 ( 0.067 0.000 -6.275) 6.275 22.147 ( -2.168 0.000 3.234) 3.894 22.200 ( -0.633 0.000 -2.010) 2.108 22.579 ( -5.292 0.000 6.638) 8.489 22.703 ( -5.272 0.000 -5.748) 7.800 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 15.640 0.000 10.456) 18.813 1.957 ( 15.343 0.000 9.056) 17.816 2.175 ( 7.544 0.000 -8.227) 11.162 2.197 ( 8.269 0.000 -6.533) 10.538 2.515 ( -4.846 0.000 3.428) 5.936 2.595 ( -9.052 0.000 -2.941) 9.517 2.708 ( -1.878 0.000 -0.033) 1.878 2.755 ( -0.752 0.000 -2.754) 2.855 2.869 ( -1.283 0.000 2.143) 2.498 2.914 ( 2.759 0.000 -1.854) 3.325 2.972 ( -4.775 0.000 1.792) 5.100 3.018 ( -4.681 0.000 -2.833) 5.471 3.186 ( -4.307 0.000 3.263) 5.404 3.245 ( -1.805 0.000 -1.836) 2.575 3.296 ( -4.488 0.000 3.710) 5.823 3.359 ( -3.673 0.000 -1.876) 4.125 3.585 ( 11.383 0.000 8.581) 14.256 3.703 ( 2.489 0.000 -0.899) 2.647 3.763 ( -0.447 0.000 0.212) 0.495 3.797 ( 1.259 0.000 -1.785) 2.184 3.931 ( 8.185 0.000 3.802) 9.025 4.147 ( 15.143 0.000 -13.510) 20.294 4.444 ( -0.374 0.000 2.427) 2.456 4.516 ( -5.572 0.000 -3.105) 6.378 4.847 ( -2.782 0.000 2.943) 4.050 4.912 ( -4.168 0.000 -2.177) 4.702 5.177 ( 5.243 0.000 0.369) 5.256 5.199 ( 5.557 0.000 -1.455) 5.744 5.306 ( 3.905 0.000 4.158) 5.704 5.404 ( 1.356 0.000 -4.018) 4.240 5.596 ( -0.309 0.000 5.795) 5.803 5.685 ( 0.363 0.000 -2.654) 2.679 5.929 ( -0.488 0.000 3.104) 3.142 5.989 ( 0.996 0.000 -2.588) 2.773 6.281 ( -4.209 0.000 3.455) 5.446 6.341 ( -3.067 0.000 -2.008) 3.666 6.447 ( 2.671 0.000 1.707) 3.170 6.479 ( 3.972 0.000 0.135) 3.974 6.487 ( -1.620 0.000 -0.848) 1.828 6.505 ( 1.103 0.000 -1.494) 1.857 7.459 ( 2.366 0.000 2.110) 3.171 7.511 ( 1.499 0.000 -2.768) 3.148 7.835 ( -1.606 0.000 2.851) 3.272 7.863 ( -2.150 0.000 -0.339) 2.177 8.102 ( -1.943 0.000 3.208) 3.750 8.147 ( -1.876 0.000 -0.491) 1.939 8.297 ( -8.955 0.000 1.626) 9.101 8.363 ( -8.535 0.000 -3.906) 9.386 8.555 ( 0.944 0.000 5.847) 5.923 8.670 ( 0.614 0.000 -4.808) 4.847 9.141 ( -2.258 0.000 0.153) 2.263 9.167 ( -3.292 0.000 -1.957) 3.830 9.594 ( -1.376 0.000 2.822) 3.139 9.634 ( -2.046 0.000 -0.349) 2.076 9.712 ( -3.672 0.000 -1.192) 3.861 9.730 ( -1.100 0.000 -3.124) 3.312 10.387 ( 6.019 0.000 4.561) 7.552 10.440 ( 5.807 0.000 -0.339) 5.817 10.598 ( 6.164 0.000 -1.630) 6.376 10.634 ( 5.468 0.000 -4.719) 7.223 11.296 ( 8.469 0.000 2.025) 8.708 11.319 ( 9.157 0.000 -0.066) 9.158 11.781 ( 4.556 0.000 0.444) 4.577 11.830 ( 3.575 0.000 -4.008) 5.371 12.667 ( -0.055 0.000 4.615) 4.616 12.741 ( -1.724 0.000 -2.574) 3.098 12.850 ( -6.375 0.000 12.680) 14.193 13.025 ( -2.649 0.000 -3.914) 4.726 13.281 ( -0.402 0.000 -0.785) 0.882 13.315 ( 0.699 0.000 -3.273) 3.347 14.171 ( 6.919 0.000 5.577) 8.886 14.286 ( 5.811 0.000 -5.194) 7.794 14.636 ( 0.394 0.000 2.412) 2.444 14.685 ( -0.786 0.000 -2.115) 2.256 14.878 ( -3.592 0.000 3.739) 5.185 14.955 ( -3.483 0.000 -3.442) 4.897 15.338 ( -5.318 0.000 7.716) 9.371 15.464 ( -5.814 0.000 -3.831) 6.963 15.631 ( -6.532 0.000 6.182) 8.994 15.819 ( -10.144 0.000 -11.817) 15.574 16.688 ( 6.019 0.000 0.695) 6.059 16.712 ( 6.471 0.000 -1.521) 6.647 17.154 ( -4.621 0.000 8.238) 9.445 17.313 ( -4.995 0.000 -7.068) 8.655 17.671 ( 6.762 0.000 1.185) 6.865 17.734 ( 6.382 0.000 -4.588) 7.860 18.127 ( 3.584 0.000 4.333) 5.623 18.183 ( 2.923 0.000 -0.685) 3.002 18.423 ( 2.154 0.000 9.014) 9.268 18.577 ( -2.405 0.000 -5.642) 6.134 19.003 ( 3.845 0.000 1.743) 4.221 19.056 ( 5.779 0.000 -2.345) 6.237 19.312 ( -0.592 0.000 1.958) 2.045 19.365 ( -0.300 0.000 -2.798) 2.815 19.574 ( -4.051 0.000 6.203) 7.409 19.749 ( -4.461 0.000 -10.051) 10.996 19.844 ( 1.279 0.000 -0.021) 1.279 19.855 ( -0.618 0.000 -1.135) 1.292 20.668 ( 3.317 0.000 1.397) 3.599 20.698 ( 4.413 0.000 -1.686) 4.724 21.038 ( -0.584 0.000 3.901) 3.944 21.113 ( -3.221 0.000 -3.138) 4.497 21.285 ( -0.262 0.000 4.061) 4.070 21.394 ( -1.288 0.000 -6.512) 6.638 22.112 ( -0.970 0.000 4.566) 4.668 22.184 ( -0.998 0.000 -2.444) 2.640 22.501 ( -2.850 0.000 5.081) 5.826 22.608 ( -4.368 0.000 -5.305) 6.871 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.139 0.000 6.950) 9.273 2.178 ( -0.989 0.000 3.493) 3.630 2.240 ( 8.257 0.000 3.604) 9.009 2.346 ( 5.646 0.000 -7.831) 9.654 2.441 ( -0.448 0.000 -1.621) 1.682 2.511 ( 2.116 0.000 -7.467) 7.761 2.704 ( -1.036 0.000 3.800) 3.939 2.764 ( 2.490 0.000 0.277) 2.505 2.810 ( -4.476 0.000 1.877) 4.854 2.852 ( -5.707 0.000 1.253) 5.843 2.902 ( -3.969 0.000 0.394) 3.988 2.970 ( 0.714 0.000 -4.447) 4.504 3.087 ( -4.132 0.000 2.720) 4.947 3.170 ( -4.309 0.000 -3.831) 5.765 3.194 ( -4.810 0.000 2.327) 5.343 3.281 ( -4.218 0.000 -4.805) 6.394 3.640 ( -0.886 0.000 4.949) 5.028 3.700 ( -2.631 0.000 3.249) 4.181 3.778 ( 1.255 0.000 -4.706) 4.870 3.826 ( 0.496 0.000 -4.462) 4.490 4.270 ( 17.829 0.000 8.177) 19.615 4.379 ( 5.529 0.000 0.343) 5.539 4.480 ( 4.827 0.000 1.207) 4.976 4.546 ( 8.209 0.000 -6.242) 10.313 4.790 ( -2.155 0.000 2.213) 3.089 4.838 ( -2.354 0.000 -1.471) 2.776 5.279 ( 3.865 0.000 2.277) 4.486 5.315 ( 5.783 0.000 -1.251) 5.917 5.363 ( 1.301 0.000 1.505) 1.989 5.391 ( -1.552 0.000 1.225) 1.978 5.580 ( -1.124 0.000 1.895) 2.203 5.661 ( -2.889 0.000 -4.071) 4.992 5.885 ( -3.277 0.000 3.267) 4.628 5.953 ( -5.147 0.000 -2.931) 5.923 6.211 ( -1.411 0.000 1.477) 2.043 6.236 ( -3.054 0.000 -0.777) 3.152 6.474 ( 0.573 0.000 0.250) 0.625 6.487 ( 0.350 0.000 -1.244) 1.293 6.565 ( 3.420 0.000 0.761) 3.503 6.577 ( 3.251 0.000 -0.575) 3.302 7.500 ( 1.612 0.000 1.653) 2.309 7.527 ( 0.128 0.000 -0.851) 0.860 7.831 ( 1.010 0.000 1.775) 2.042 7.840 ( 0.101 0.000 0.943) 0.948 8.050 ( -3.085 0.000 2.397) 3.907 8.095 ( -4.310 0.000 -1.869) 4.698 8.165 ( -3.183 0.000 2.243) 3.894 8.225 ( -5.212 0.000 -2.985) 6.007 8.585 ( 2.017 0.000 4.449) 4.885 8.664 ( -1.161 0.000 -2.855) 3.082 9.108 ( -1.097 0.000 -0.390) 1.164 9.120 ( -1.688 0.000 -1.277) 2.117 9.563 ( -1.132 0.000 1.881) 2.195 9.605 ( -1.933 0.000 -1.879) 2.695 9.662 ( -0.568 0.000 0.473) 0.739 9.708 ( -1.339 0.000 -3.672) 3.908 10.488 ( 4.155 0.000 3.931) 5.720 10.526 ( 2.706 0.000 0.705) 2.797 10.692 ( 3.386 0.000 -2.274) 4.079 10.711 ( 2.457 0.000 -3.850) 4.567 11.425 ( 4.773 0.000 2.806) 5.536 11.449 ( 4.049 0.000 0.814) 4.131 11.847 ( 2.293 0.000 -1.133) 2.558 11.875 ( 1.032 0.000 -3.575) 3.721 12.673 ( 0.609 0.000 4.068) 4.113 12.729 ( 0.030 0.000 -0.484) 0.485 12.762 ( -2.062 0.000 7.729) 7.999 12.921 ( -6.569 0.000 -6.346) 9.134 13.328 ( 4.722 0.000 2.007) 5.131 13.380 ( 3.191 0.000 -2.906) 4.316 14.295 ( 5.423 0.000 4.468) 7.027 14.363 ( 2.087 0.000 -1.714) 2.700 14.668 ( 2.420 0.000 0.638) 2.502 14.681 ( 1.091 0.000 -0.192) 1.108 14.802 ( -4.442 0.000 3.582) 5.706 14.876 ( -5.107 0.000 -3.024) 5.935 15.262 ( -1.658 0.000 5.609) 5.849 15.340 ( -5.243 0.000 -0.892) 5.319 15.555 ( -1.983 0.000 0.671) 2.094 15.653 ( -6.819 0.000 -8.937) 11.242 16.792 ( 4.433 0.000 1.971) 4.852 16.823 ( 4.286 0.000 -0.586) 4.326 17.090 ( -1.525 0.000 5.007) 5.234 17.209 ( -5.448 0.000 -6.048) 8.140 17.784 ( 4.711 0.000 0.340) 4.724 17.830 ( 3.069 0.000 -3.778) 4.868 18.214 ( 5.176 0.000 3.722) 6.375 18.260 ( 4.583 0.000 -0.512) 4.611 18.425 ( -1.988 0.000 4.828) 5.221 18.496 ( -5.221 0.000 -2.398) 5.745 19.077 ( 3.603 0.000 3.853) 5.275 19.136 ( 1.924 0.000 -0.625) 2.023 19.323 ( 1.962 0.000 1.382) 2.400 19.381 ( 2.193 0.000 -3.460) 4.097 19.480 ( -4.740 0.000 4.350) 6.434 19.609 ( -8.181 0.000 -7.595) 11.163 19.872 ( 1.533 0.000 0.230) 1.550 19.879 ( 1.492 0.000 -0.358) 1.534 20.709 ( 1.400 0.000 0.333) 1.439 20.750 ( 0.549 0.000 -3.182) 3.229 21.034 ( 0.473 0.000 2.710) 2.751 21.073 ( -1.141 0.000 -1.185) 1.645 21.287 ( 0.601 0.000 2.413) 2.487 21.357 ( -2.346 0.000 -4.329) 4.924 22.113 ( 0.883 0.000 3.579) 3.686 22.162 ( -1.197 0.000 -1.145) 1.656 22.467 ( -0.586 0.000 2.713) 2.776 22.532 ( -3.402 0.000 -3.503) 4.882 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.624 0.000 3.563) 3.617 2.135 ( 0.624 0.000 3.563) 3.617 2.365 ( -3.585 0.000 -3.287) 4.864 2.365 ( 3.585 0.000 -3.287) 4.864 2.564 ( -9.817 0.000 1.995) 10.018 2.564 ( 9.817 0.000 1.995) 10.018 2.651 ( -9.869 0.000 -5.535) 11.315 2.651 ( 9.869 0.000 -5.535) 11.315 2.829 ( -0.753 0.000 4.712) 4.772 2.829 ( 0.753 0.000 4.712) 4.772 2.908 ( -4.755 0.000 1.678) 5.042 2.908 ( 4.755 0.000 1.678) 5.042 3.087 ( -3.093 0.000 -0.319) 3.109 3.087 ( 3.093 0.000 -0.319) 3.109 3.191 ( -4.076 0.000 -4.895) 6.370 3.191 ( 4.076 0.000 -4.895) 6.370 3.649 ( -1.964 0.000 5.113) 5.477 3.649 ( 1.964 0.000 5.113) 5.477 3.807 ( -1.716 0.000 -7.048) 7.254 3.807 ( 1.716 0.000 -7.048) 7.254 4.424 ( -1.260 0.000 3.480) 3.702 4.424 ( 1.260 0.000 3.480) 3.702 4.607 ( -1.844 0.000 -1.273) 2.241 4.607 ( 1.844 0.000 -1.273) 2.241 4.812 ( -3.556 0.000 2.810) 4.533 4.812 ( 3.556 0.000 2.810) 4.533 5.311 ( -1.515 0.000 2.742) 3.133 5.311 ( 1.515 0.000 2.742) 3.133 5.406 ( -1.545 0.000 0.708) 1.699 5.406 ( 1.545 0.000 0.708) 1.699 5.588 ( -3.114 0.000 -4.017) 5.083 5.588 ( 3.114 0.000 -4.017) 5.083 5.862 ( -2.039 0.000 0.046) 2.039 5.862 ( 2.039 0.000 0.046) 2.039 6.212 ( -0.571 0.000 0.357) 0.673 6.212 ( 0.571 0.000 0.357) 0.673 6.485 ( -0.456 0.000 -0.557) 0.720 6.485 ( 0.456 0.000 -0.557) 0.720 6.602 ( -0.424 0.000 0.135) 0.445 6.602 ( 0.424 0.000 0.135) 0.445 7.521 ( -0.661 0.000 0.807) 1.043 7.521 ( 0.661 0.000 0.807) 1.043 7.850 ( -0.419 0.000 1.771) 1.819 7.850 ( 0.419 0.000 1.771) 1.819 8.022 ( -1.444 0.000 -0.483) 1.523 8.022 ( 1.444 0.000 -0.483) 1.523 8.160 ( -1.707 0.000 -0.204) 1.719 8.160 ( 1.707 0.000 -0.204) 1.719 8.628 ( -2.269 0.000 0.939) 2.455 8.628 ( 2.269 0.000 0.939) 2.455 9.100 ( -0.313 0.000 -0.819) 0.876 9.100 ( 0.313 0.000 -0.819) 0.876 9.566 ( -1.371 0.000 0.293) 1.402 9.566 ( 1.371 0.000 0.293) 1.402 9.678 ( -1.530 0.000 -2.225) 2.700 9.678 ( 1.530 0.000 -2.225) 2.700 10.541 ( -1.108 0.000 2.523) 2.756 10.541 ( 1.108 0.000 2.523) 2.756 10.730 ( -0.525 0.000 -3.142) 3.186 10.730 ( 0.525 0.000 -3.142) 3.186 11.479 ( -0.735 0.000 2.242) 2.359 11.479 ( 0.735 0.000 2.242) 2.359 11.876 ( -0.771 0.000 -2.670) 2.779 11.876 ( 0.771 0.000 -2.670) 2.779 12.695 ( -1.824 0.000 5.299) 5.604 12.695 ( 1.824 0.000 5.299) 5.604 12.807 ( -4.769 0.000 -3.241) 5.766 12.807 ( 4.769 0.000 -3.241) 5.766 13.400 ( -1.612 0.000 -0.436) 1.670 13.400 ( 1.612 0.000 -0.436) 1.670 14.367 ( -1.755 0.000 1.559) 2.348 14.367 ( 1.755 0.000 1.559) 2.348 14.712 ( -3.119 0.000 2.805) 4.195 14.712 ( 3.119 0.000 2.805) 4.195 14.765 ( -5.244 0.000 -1.913) 5.582 14.765 ( 5.244 0.000 -1.913) 5.582 15.272 ( -2.146 0.000 2.530) 3.317 15.272 ( 2.146 0.000 2.530) 3.317 15.559 ( -2.625 0.000 -4.761) 5.437 15.559 ( 2.625 0.000 -4.761) 5.437 16.852 ( -1.335 0.000 2.335) 2.690 16.852 ( 1.335 0.000 2.335) 2.690 17.114 ( -3.794 0.000 -2.116) 4.345 17.114 ( 3.794 0.000 -2.116) 4.345 17.846 ( -1.395 0.000 -1.629) 2.145 17.846 ( 1.395 0.000 -1.629) 2.145 18.307 ( -2.696 0.000 1.879) 3.286 18.307 ( 2.696 0.000 1.879) 3.286 18.402 ( -2.994 0.000 0.408) 3.021 18.402 ( 2.994 0.000 0.408) 3.021 19.133 ( -1.852 0.000 2.712) 3.284 19.133 ( 1.852 0.000 2.712) 3.284 19.385 ( -3.772 0.000 1.051) 3.915 19.385 ( 3.772 0.000 1.051) 3.915 19.469 ( -5.527 0.000 -4.013) 6.830 19.469 ( 5.527 0.000 -4.013) 6.830 19.892 ( -0.251 0.000 0.105) 0.272 19.892 ( 0.251 0.000 0.105) 0.272 20.736 ( -1.384 0.000 -2.223) 2.618 20.736 ( 1.384 0.000 -2.223) 2.618 21.053 ( -1.108 0.000 1.112) 1.570 21.053 ( 1.109 0.000 1.112) 1.570 21.312 ( -1.964 0.000 -0.848) 2.140 21.312 ( 1.964 0.000 -0.848) 2.140 22.137 ( -1.384 0.000 1.288) 1.890 22.137 ( 1.384 0.000 1.288) 1.890 22.480 ( -1.846 0.000 -0.542) 1.924 22.480 ( 1.846 0.000 -0.542) 1.924 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 13.697 21.496) 25.489 1.348 ( 0.000 13.076 24.463) 27.738 1.700 ( 0.000 9.195 -19.815) 21.845 1.834 ( 0.000 9.944 -19.265) 21.680 2.326 ( 0.000 9.023 33.213) 34.416 2.539 ( 0.000 -4.755 16.190) 16.873 2.595 ( 0.000 -8.836 5.093) 10.199 2.690 ( 0.000 -5.663 -2.707) 6.277 2.753 ( 0.000 -2.180 -6.619) 6.969 2.880 ( 0.000 0.148 0.323) 0.355 2.925 ( 0.000 -0.404 0.064) 0.409 3.095 ( 0.000 0.113 3.229) 3.231 3.213 ( 0.000 4.421 -12.973) 13.705 3.236 ( 0.000 4.968 -13.244) 14.145 3.391 ( 0.000 1.174 2.469) 2.734 3.441 ( 0.000 -1.110 -0.666) 1.294 3.526 ( 0.000 -0.195 0.142) 0.242 3.610 ( 0.000 -0.108 -7.817) 7.818 3.800 ( 0.000 -3.527 0.713) 3.599 3.878 ( 0.000 -0.536 -6.198) 6.221 3.991 ( 0.000 -2.554 6.986) 7.438 4.115 ( 0.000 -2.853 -4.395) 5.240 4.468 ( 0.000 -11.371 3.096) 11.785 4.602 ( 0.000 -10.875 -9.022) 14.130 5.005 ( 0.000 4.098 5.830) 7.126 5.020 ( 0.000 6.071 2.597) 6.603 5.111 ( 0.000 6.001 2.431) 6.475 5.204 ( 0.000 6.721 -6.685) 9.480 5.226 ( 0.000 5.798 3.284) 6.663 5.353 ( 0.000 4.934 -6.102) 7.847 5.606 ( 0.000 -2.447 2.201) 3.291 5.657 ( 0.000 2.797 -1.620) 3.232 5.737 ( 0.000 -0.161 3.051) 3.055 5.796 ( 0.000 -0.779 -2.404) 2.528 6.001 ( 0.000 -3.141 3.696) 4.851 6.066 ( 0.000 -1.555 -2.446) 2.898 6.354 ( 0.000 -0.246 2.890) 2.900 6.410 ( 0.000 -0.015 -2.172) 2.172 6.679 ( 0.000 -4.800 4.972) 6.911 6.750 ( 0.000 -5.506 -1.766) 5.782 7.432 ( 0.000 4.175 2.029) 4.642 7.485 ( 0.000 3.404 -3.123) 4.620 7.943 ( 0.000 -0.182 0.875) 0.894 7.955 ( 0.000 1.009 -0.553) 1.151 8.181 ( 0.000 -2.528 1.379) 2.880 8.216 ( 0.000 -3.688 -1.578) 4.012 8.453 ( 0.000 -1.400 4.619) 4.827 8.523 ( 0.000 -2.049 -1.832) 2.748 8.802 ( 0.000 -1.728 4.277) 4.613 8.923 ( 0.000 2.543 -6.898) 7.352 9.149 ( 0.000 -4.112 1.971) 4.560 9.190 ( 0.000 -2.563 -2.003) 3.253 9.703 ( 0.000 -0.796 3.495) 3.585 9.723 ( 0.000 -0.859 2.212) 2.373 9.791 ( 0.000 -1.457 -1.022) 1.780 9.803 ( 0.000 0.356 -1.474) 1.517 10.129 ( 0.000 -1.242 0.936) 1.556 10.184 ( 0.000 -1.829 -3.800) 4.217 10.281 ( 0.000 2.376 0.518) 2.431 10.317 ( 0.000 1.985 -2.253) 3.003 10.852 ( 0.000 7.878 1.877) 8.099 10.900 ( 0.000 6.639 -2.424) 7.068 11.471 ( 0.000 -4.906 3.803) 6.207 11.561 ( 0.000 -5.797 -4.705) 7.466 12.658 ( 0.000 -3.405 8.627) 9.275 12.802 ( 0.000 -4.179 -4.725) 6.308 12.957 ( 0.000 -3.228 4.575) 5.599 13.031 ( 0.000 -1.914 -2.689) 3.300 13.573 ( 0.000 -4.751 10.387) 11.422 13.722 ( 0.000 -2.353 -2.959) 3.780 13.947 ( 0.000 4.477 -2.267) 5.018 14.018 ( 0.000 1.344 -7.234) 7.358 14.723 ( 0.000 4.588 4.480) 6.412 14.821 ( 0.000 9.373 -5.252) 10.744 15.196 ( 0.000 -3.831 8.160) 9.014 15.282 ( 0.000 -0.704 -0.623) 0.940 15.297 ( 0.000 1.293 1.196) 1.762 15.382 ( 0.000 -0.121 -4.514) 4.515 16.148 ( 0.000 0.411 3.040) 3.068 16.217 ( 0.000 -0.862 -3.606) 3.708 16.512 ( 0.000 -0.475 1.531) 1.603 16.583 ( 0.000 1.518 -4.967) 5.194 17.169 ( 0.000 -8.835 2.426) 9.162 17.197 ( 0.000 -6.626 -0.344) 6.635 17.462 ( 0.000 3.571 3.096) 4.726 17.511 ( 0.000 1.543 -1.303) 2.020 17.982 ( 0.000 -7.790 1.936) 8.027 18.020 ( 0.000 -8.395 -2.121) 8.659 18.417 ( 0.000 4.818 5.928) 7.639 18.535 ( 0.000 4.669 -5.408) 7.144 18.824 ( 0.000 1.762 1.837) 2.546 18.860 ( 0.000 2.467 -1.450) 2.862 19.379 ( 0.000 -0.332 1.163) 1.210 19.416 ( 0.000 2.060 -2.225) 3.032 19.470 ( 0.000 4.621 -0.591) 4.659 19.478 ( 0.000 2.383 -1.101) 2.625 19.895 ( 0.000 5.993 1.304) 6.134 19.952 ( 0.000 12.867 -4.903) 13.769 20.579 ( 0.000 -1.381 4.337) 4.552 20.651 ( 0.000 0.414 -2.443) 2.478 21.038 ( 0.000 4.318 9.404) 10.348 21.252 ( 0.000 1.157 -9.624) 9.693 21.350 ( 0.000 -0.586 0.126) 0.600 21.383 ( 0.000 0.087 -2.571) 2.572 22.168 ( 0.000 -1.684 1.643) 2.353 22.197 ( 0.000 -1.801 -0.947) 2.035 22.741 ( 0.000 -4.652 3.109) 5.595 22.791 ( 0.000 -3.379 -1.780) 3.819 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.301 10.265 20.133) 24.438 1.488 ( 11.436 10.824 19.540) 25.095 1.783 ( 7.900 6.793 -17.615) 20.466 1.932 ( 8.660 8.726 -17.335) 21.252 2.435 ( 8.903 1.933 23.398) 25.109 2.564 ( 3.780 -2.522 15.601) 16.249 2.641 ( 4.261 -7.545 7.514) 11.469 2.716 ( 2.412 -4.790 -1.913) 5.694 2.763 ( 1.223 -0.772 -3.932) 4.190 2.881 ( -0.120 0.314 0.023) 0.337 2.905 ( -1.952 0.021 -0.052) 1.953 3.075 ( -1.304 1.549 0.705) 2.144 3.204 ( -0.804 1.248 -4.969) 5.186 3.260 ( 1.712 3.111 -10.414) 11.003 3.387 ( -0.732 1.372 2.254) 2.738 3.439 ( -0.251 -0.389 -1.268) 1.350 3.528 ( 0.975 1.303 -2.690) 3.144 3.590 ( -1.304 1.565 -8.512) 8.752 3.783 ( -1.949 -2.866 0.279) 3.478 3.856 ( -2.657 -0.665 -6.204) 6.782 3.962 ( -2.573 -1.346 5.510) 6.228 4.076 ( -3.124 -1.804 -5.079) 6.230 4.468 ( -0.059 -9.249 3.956) 10.060 4.605 ( 0.325 -9.862 -8.451) 12.992 4.933 ( -4.288 2.644 7.284) 8.857 5.063 ( -0.523 5.253 -3.984) 6.614 5.110 ( -1.608 3.415 2.510) 4.533 5.143 ( 0.554 6.056 -0.914) 6.149 5.286 ( 2.407 8.066 1.763) 8.600 5.354 ( 0.870 4.309 -3.043) 5.346 5.603 ( 1.400 0.042 1.040) 1.745 5.644 ( -1.345 2.030 -1.991) 3.146 5.805 ( 5.594 -1.052 2.632) 6.271 5.863 ( 4.955 -0.526 -2.206) 5.449 6.059 ( 5.603 -3.206 2.705) 6.999 6.113 ( 4.604 -2.090 -2.243) 5.531 6.362 ( 0.583 -0.331 3.425) 3.490 6.423 ( 1.200 -0.721 -2.276) 2.672 6.635 ( -4.340 -4.569 4.337) 7.650 6.700 ( -4.976 -5.979 -1.627) 7.947 7.432 ( 0.235 3.784 2.335) 4.452 7.493 ( 0.735 3.433 -3.387) 4.878 7.927 ( -1.610 -0.374 1.349) 2.134 7.945 ( -1.014 1.010 -0.726) 1.604 8.161 ( -1.716 -1.374 1.879) 2.893 8.198 ( -1.532 -2.475 -1.274) 3.177 8.453 ( -0.010 -2.978 5.157) 5.955 8.545 ( 1.202 -3.557 -3.489) 5.125 8.691 ( -8.409 0.899 4.711) 9.681 8.811 ( -8.631 3.362 -6.230) 11.162 9.165 ( -0.617 -5.701 2.811) 6.387 9.224 ( 0.405 -4.842 -2.883) 5.650 9.645 ( -1.550 0.013 4.264) 4.537 9.725 ( -0.735 1.006 -2.495) 2.789 9.780 ( -0.838 0.257 1.793) 1.996 9.835 ( 0.548 0.143 -2.586) 2.647 10.163 ( 3.538 -1.326 1.618) 4.110 10.220 ( 3.611 -1.029 -2.788) 4.676 10.325 ( 5.094 1.742 0.532) 5.410 10.377 ( 5.162 1.152 -3.440) 6.309 10.947 ( 8.937 6.864 1.410) 11.357 10.982 ( 7.676 6.019 -1.649) 9.893 11.527 ( 5.271 -4.137 2.908) 7.304 11.606 ( 4.302 -5.096 -4.468) 8.028 12.655 ( -0.298 -3.125 8.076) 8.665 12.784 ( -1.606 -4.025 -3.575) 5.618 12.961 ( 0.100 -3.211 4.789) 5.767 13.036 ( 0.098 -2.604 -2.345) 3.506 13.485 ( -7.615 2.959 12.466) 14.905 13.690 ( -5.143 1.575 -5.732) 7.861 13.954 ( 0.712 -1.399 -2.785) 3.197 13.993 ( 0.947 -0.760 -5.060) 5.204 14.718 ( -0.947 3.701 3.590) 5.242 14.781 ( -3.057 6.687 -2.401) 7.734 15.074 ( -6.386 -0.429 4.832) 8.019 15.153 ( -7.452 -0.291 -2.841) 7.981 15.427 ( 4.416 -0.678 1.877) 4.846 15.451 ( 4.112 0.216 -0.405) 4.138 16.062 ( -8.842 1.026 4.620) 10.029 16.183 ( -4.798 -1.567 -6.873) 8.527 16.504 ( 1.194 0.521 1.507) 1.992 16.563 ( -0.279 2.148 -3.859) 4.425 17.206 ( 1.695 -8.952 3.433) 9.736 17.249 ( 3.592 -8.971 -0.862) 9.702 17.501 ( 3.475 4.345 1.200) 5.692 17.538 ( 3.483 4.036 -1.875) 5.651 18.004 ( 2.168 -6.265 2.650) 7.140 18.056 ( 2.994 -7.022 -2.469) 8.023 18.390 ( -1.477 5.168 6.942) 8.780 18.538 ( 0.664 3.107 -7.083) 7.763 18.854 ( 2.643 0.558 1.754) 3.221 18.886 ( 2.285 2.038 -1.283) 3.320 19.347 ( -1.521 0.313 1.798) 2.376 19.388 ( -0.804 -0.181 -2.029) 2.190 19.513 ( 2.396 -0.403 1.283) 2.747 19.561 ( 4.420 -2.321 -3.259) 5.962 19.926 ( 2.778 7.672 2.176) 8.444 20.006 ( 4.651 13.535 -6.465) 15.705 20.559 ( -0.974 -0.217 4.097) 4.217 20.637 ( -0.979 0.730 -3.238) 3.461 21.049 ( 0.757 3.342 8.491) 9.157 21.240 ( -1.512 0.775 -8.768) 8.931 21.327 ( -1.698 -0.123 2.286) 2.850 21.394 ( 0.688 -0.271 -4.208) 4.272 22.162 ( -0.789 -1.625 1.755) 2.519 22.190 ( -0.592 -2.042 -0.719) 2.245 22.677 ( -5.166 -2.323 5.113) 7.631 22.765 ( -3.019 -3.074 -3.771) 5.726 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 15.673 5.477 14.679) 22.162 1.731 ( 13.174 7.272 13.311) 20.091 1.969 ( 10.262 2.480 -11.503) 15.613 2.108 ( 8.510 6.288 -13.142) 16.872 2.513 ( 0.053 -6.275 11.334) 12.955 2.649 ( 0.740 -9.010 2.063) 9.273 2.725 ( 1.785 -4.909 -1.221) 5.364 2.744 ( 0.238 -3.289 -2.973) 4.440 2.833 ( -1.213 0.264 3.426) 3.645 2.854 ( -1.824 -0.656 -2.502) 3.165 2.950 ( 12.039 5.230 9.858) 16.416 3.058 ( -0.739 2.240 -0.274) 2.374 3.208 ( 2.250 2.682 0.718) 3.574 3.263 ( -1.419 0.241 0.216) 1.455 3.341 ( -3.131 -0.729 4.308) 5.375 3.429 ( -0.818 1.149 0.344) 1.452 3.526 ( -1.053 1.674 -0.445) 2.027 3.653 ( 6.378 4.043 -9.837) 12.401 3.743 ( -0.863 -0.988 -2.701) 3.002 3.786 ( -3.399 -1.169 -4.467) 5.734 3.910 ( -2.105 -0.465 3.685) 4.270 4.042 ( 1.433 3.027 -9.575) 10.143 4.463 ( -0.566 -3.869 5.411) 6.676 4.596 ( -2.016 -4.644 -6.284) 8.070 4.873 ( -1.423 -0.355 4.817) 5.035 4.979 ( -4.153 -0.178 -3.990) 5.762 5.107 ( -0.872 1.736 3.006) 3.580 5.169 ( 1.120 5.227 -2.425) 5.870 5.337 ( 3.803 8.567 2.853) 9.798 5.400 ( 2.903 4.652 -2.014) 5.841 5.616 ( -0.175 2.112 2.671) 3.409 5.659 ( 2.313 0.542 -2.165) 3.214 5.899 ( 3.441 -0.472 2.398) 4.220 5.947 ( 3.372 -0.025 -2.093) 3.968 6.197 ( 7.658 -3.661 1.094) 8.559 6.229 ( 6.405 -3.682 -1.704) 7.582 6.369 ( 0.409 -0.887 4.769) 4.868 6.448 ( 1.116 -1.888 -2.889) 3.627 6.524 ( -6.346 -4.196 3.016) 8.184 6.575 ( -7.023 -4.609 -1.651) 8.561 7.446 ( 1.289 3.044 2.794) 4.328 7.514 ( 1.461 3.358 -3.580) 5.122 7.884 ( -2.539 -0.217 2.548) 3.604 7.917 ( -1.886 0.825 -1.091) 2.330 8.128 ( -1.607 -0.386 2.398) 2.913 8.166 ( -1.819 -1.363 -0.974) 2.474 8.425 ( -4.850 -4.527 3.538) 7.519 8.483 ( -6.372 -3.520 -0.673) 7.310 8.588 ( -3.236 2.066 1.837) 4.256 8.678 ( -2.651 3.120 -5.053) 6.504 9.115 ( -3.502 -7.330 2.434) 8.480 9.174 ( -4.402 -6.734 -3.064) 8.609 9.639 ( 0.071 2.041 3.554) 4.099 9.706 ( -1.695 3.143 -1.505) 3.875 9.765 ( -0.401 1.272 0.305) 1.368 9.818 ( -1.729 2.522 -3.452) 4.611 10.260 ( 6.056 -0.550 3.587) 7.060 10.320 ( 6.281 -0.219 -1.206) 6.399 10.450 ( 6.882 -0.630 -1.081) 6.995 10.495 ( 6.441 -0.976 -4.256) 7.782 11.155 ( 11.082 5.611 0.554) 12.434 11.163 ( 10.354 5.095 -0.073) 11.540 11.650 ( 6.622 -2.714 1.390) 7.290 11.709 ( 5.681 -3.626 -4.056) 7.866 12.649 ( -0.275 -2.383 6.754) 7.167 12.748 ( -1.911 -3.421 -1.692) 4.268 12.939 ( -3.237 -2.867 7.238) 8.431 13.025 ( -0.805 -2.185 -1.046) 2.553 13.362 ( -3.390 8.370 6.371) 11.051 13.521 ( -10.090 5.831 -7.323) 13.764 13.997 ( 4.533 -4.742 2.898) 7.171 14.090 ( 6.832 -5.455 -5.827) 10.506 14.680 ( -2.206 2.688 3.482) 4.921 14.738 ( -1.643 3.185 -2.156) 4.182 14.970 ( -4.638 1.196 3.048) 5.677 15.034 ( -4.753 0.137 -3.113) 5.684 15.436 ( -2.361 0.896 5.552) 6.099 15.508 ( 0.842 -0.400 -0.776) 1.213 15.844 ( -12.170 1.839 5.204) 13.363 16.017 ( -10.964 -1.676 -10.917) 15.563 16.579 ( 5.725 1.121 0.874) 5.899 16.611 ( 4.780 1.682 -2.016) 5.454 17.190 ( -2.798 -5.846 6.663) 9.295 17.294 ( 0.531 -8.126 -3.425) 8.834 17.591 ( 5.691 4.366 0.418) 7.185 17.634 ( 5.538 3.756 -3.680) 7.636 18.060 ( 3.417 -3.040 3.481) 5.748 18.109 ( 2.416 -3.453 -0.848) 4.299 18.392 ( 1.535 3.466 7.697) 8.580 18.564 ( 1.360 -0.472 -8.168) 8.293 18.919 ( 3.878 -1.409 0.945) 4.233 18.937 ( 2.914 -0.352 -0.868) 3.061 19.329 ( -0.707 -0.219 1.832) 1.976 19.370 ( -1.191 -0.637 -1.828) 2.273 19.545 ( 0.764 -3.792 2.258) 4.479 19.608 ( 0.760 -7.526 -3.560) 8.360 19.965 ( 0.448 9.661 3.257) 10.205 20.068 ( 0.661 12.287 -7.257) 14.285 20.579 ( 3.046 -0.656 3.091) 4.389 20.644 ( 2.083 1.247 -3.248) 4.055 21.054 ( -0.323 1.643 6.031) 6.260 21.186 ( -3.785 0.394 -5.737) 6.884 21.299 ( -1.046 0.031 3.686) 3.832 21.399 ( -0.378 -0.865 -5.966) 6.040 22.136 ( -1.571 -1.023 3.209) 3.716 22.181 ( -0.198 -1.771 -1.200) 2.148 22.579 ( -4.481 0.119 5.307) 6.947 22.685 ( -4.640 -1.721 -5.097) 7.104 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 15.178 2.592 9.270) 17.973 1.995 ( 13.622 4.197 8.636) 16.666 2.151 ( 7.623 -0.705 -5.398) 9.368 2.252 ( 5.840 3.810 -7.714) 10.398 2.483 ( -2.375 -3.063 4.736) 6.120 2.583 ( -6.254 -2.232 -3.770) 7.636 2.700 ( -2.896 -1.263 2.656) 4.127 2.725 ( -1.346 -3.546 -0.901) 3.898 2.802 ( -1.136 -3.855 -1.468) 4.279 2.857 ( 1.453 -3.438 -4.105) 5.548 2.995 ( -3.800 0.529 1.584) 4.150 3.037 ( -2.906 1.873 -2.792) 4.444 3.198 ( -4.080 0.353 0.689) 4.153 3.223 ( -4.176 -2.138 -1.666) 4.979 3.324 ( -2.102 3.064 5.090) 6.302 3.404 ( -2.466 3.483 -2.213) 4.807 3.613 ( 5.793 1.531 7.588) 9.669 3.703 ( 2.717 -0.737 2.736) 3.926 3.738 ( 0.172 -1.613 -1.925) 2.518 3.791 ( 1.401 0.390 -4.127) 4.376 3.947 ( 9.746 2.333 7.400) 12.458 4.196 ( 12.866 4.557 -13.364) 19.103 4.455 ( 0.556 0.650 3.537) 3.639 4.534 ( -2.991 1.685 -3.373) 4.813 4.846 ( -2.148 0.273 3.083) 3.767 4.933 ( -1.943 0.927 -4.117) 4.646 5.109 ( 2.536 -4.281 3.836) 6.282 5.191 ( 1.512 0.057 -3.814) 4.103 5.407 ( 2.373 6.849 2.390) 7.633 5.449 ( 2.012 4.372 -0.794) 4.878 5.610 ( -0.703 1.393 4.496) 4.759 5.693 ( 0.803 1.043 -3.209) 3.469 5.933 ( 0.248 0.798 2.905) 3.023 5.991 ( 0.832 0.255 -2.505) 2.652 6.259 ( -2.199 -2.062 2.736) 4.071 6.307 ( -0.893 -3.199 -1.796) 3.775 6.397 ( 0.002 -4.752 1.893) 5.115 6.439 ( 2.361 -3.447 -1.020) 4.301 6.472 ( 0.667 -1.943 0.713) 2.174 6.504 ( 2.071 -0.620 -1.530) 2.648 7.481 ( 2.147 2.477 2.910) 4.383 7.544 ( 1.378 3.205 -3.023) 4.616 7.843 ( -1.270 0.407 2.844) 3.141 7.877 ( -1.906 1.121 -0.727) 2.328 8.090 ( -2.561 -0.999 2.190) 3.515 8.121 ( -2.899 -2.304 -0.367) 3.721 8.278 ( -7.925 -2.129 2.220) 8.501 8.346 ( -7.951 -1.989 -3.552) 8.932 8.556 ( 0.292 0.727 5.636) 5.690 8.669 ( -0.066 0.324 -4.865) 4.877 9.056 ( -2.316 -7.850 0.954) 8.240 9.093 ( -3.447 -7.115 -2.368) 8.253 9.638 ( -0.112 3.710 2.144) 4.287 9.668 ( -1.940 4.126 0.016) 4.559 9.750 ( -1.345 3.205 -0.785) 3.564 9.782 ( -1.726 4.563 -3.119) 5.790 10.381 ( 6.021 -0.601 4.541) 7.566 10.442 ( 5.675 -0.262 -0.273) 5.688 10.575 ( 5.668 -2.191 -2.099) 6.429 10.609 ( 4.944 -2.411 -4.313) 6.990 11.338 ( 7.894 4.399 1.877) 9.230 11.361 ( 8.597 4.320 -0.186) 9.623 11.764 ( 4.803 -1.850 0.148) 5.149 11.807 ( 4.003 -2.465 -3.759) 6.019 12.650 ( 0.512 -1.428 5.137) 5.357 12.718 ( -1.001 -2.174 -0.031) 2.394 12.848 ( -4.992 -0.023 8.710) 10.039 13.000 ( -2.824 -2.453 -4.546) 5.887 13.345 ( 0.026 6.564 0.659) 6.597 13.392 ( -0.706 7.066 -3.462) 7.900 14.107 ( 5.922 -6.269 5.274) 10.109 14.211 ( 4.835 -7.304 -4.493) 9.844 14.660 ( 0.365 2.180 2.486) 3.327 14.711 ( -0.975 2.188 -2.166) 3.229 14.893 ( -3.337 1.439 2.814) 4.596 14.957 ( -3.456 0.131 -3.119) 4.657 15.360 ( -4.662 2.217 7.672) 9.247 15.475 ( -4.431 0.898 -2.193) 5.025 15.638 ( -7.767 0.880 4.222) 8.884 15.806 ( -10.038 -1.390 -11.133) 15.054 16.697 ( 5.963 0.888 1.039) 6.118 16.724 ( 6.333 1.282 -1.474) 6.627 17.125 ( -3.316 -2.704 7.620) 8.739 17.267 ( -3.032 -4.475 -5.926) 8.021 17.702 ( 5.275 3.246 -0.047) 6.195 17.740 ( 5.163 0.814 -3.413) 6.242 18.131 ( 3.801 -0.852 3.357) 5.142 18.164 ( 3.327 -2.420 0.570) 4.153 18.429 ( 1.711 2.061 6.430) 6.966 18.561 ( -1.952 -1.102 -5.640) 6.069 18.986 ( 3.030 -2.522 1.166) 4.111 19.014 ( 4.763 -4.769 -0.854) 6.794 19.318 ( -0.148 0.588 1.228) 1.369 19.349 ( -0.783 -0.377 -1.241) 1.515 19.535 ( -1.978 -2.542 1.998) 3.791 19.597 ( -2.055 -8.059 -3.658) 9.086 19.960 ( -0.015 9.967 2.866) 10.371 20.046 ( -1.881 12.158 -5.726) 13.569 20.646 ( 2.855 -2.547 2.644) 4.651 20.699 ( 2.698 -0.506 -2.768) 3.899 21.041 ( -0.717 0.651 3.498) 3.629 21.112 ( -3.216 0.446 -3.015) 4.431 21.282 ( -0.800 -0.554 3.185) 3.331 21.375 ( -2.041 -2.116 -5.808) 6.510 22.119 ( 0.090 0.712 4.269) 4.329 22.181 ( 0.091 -0.291 -1.717) 1.744 22.505 ( -3.193 0.410 4.024) 5.153 22.597 ( -4.335 -1.134 -4.791) 6.560 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 6.251 2.149 5.892) 8.855 2.198 ( -0.628 2.006 3.138) 3.777 2.239 ( 7.847 -0.045 3.518) 8.599 2.341 ( 5.028 -0.384 -6.386) 8.137 2.457 ( 0.283 1.400 -2.258) 2.672 2.509 ( 0.928 -0.001 -6.191) 6.260 2.663 ( -2.481 -4.610 3.647) 6.380 2.703 ( -0.486 -4.580 -0.153) 4.608 2.797 ( 0.340 -0.534 1.633) 1.751 2.846 ( -2.038 -0.069 -2.282) 3.060 2.915 ( -3.616 0.867 2.467) 4.463 2.991 ( -2.098 1.152 -3.894) 4.571 3.117 ( -2.898 1.306 0.045) 3.179 3.142 ( -2.340 -0.372 -2.210) 3.241 3.247 ( -4.593 4.672 3.538) 7.446 3.338 ( -4.436 4.388 -4.436) 7.656 3.618 ( -0.370 -2.166 5.555) 5.974 3.695 ( -1.939 -0.918 1.729) 2.755 3.776 ( -0.225 -0.584 -4.057) 4.105 3.803 ( 0.359 -2.012 -3.148) 3.753 4.266 ( 16.017 0.491 7.912) 17.871 4.400 ( 5.943 2.062 -2.407) 6.735 4.504 ( 4.685 1.673 2.372) 5.511 4.555 ( 4.813 1.551 -4.295) 6.635 4.801 ( -1.435 1.465 3.498) 4.055 4.881 ( -2.605 3.198 -2.693) 4.926 5.190 ( 4.172 -6.848 1.247) 8.116 5.230 ( 1.833 -5.861 -2.340) 6.571 5.422 ( 0.113 4.811 4.022) 6.272 5.475 ( 0.328 4.897 -0.338) 4.920 5.580 ( -1.964 0.051 2.820) 3.437 5.677 ( -2.854 0.974 -4.846) 5.707 5.917 ( -1.311 3.337 2.191) 4.202 5.962 ( -3.329 1.378 -1.987) 4.115 6.224 ( -0.155 1.450 1.822) 2.333 6.253 ( -1.523 1.935 -0.748) 2.574 6.414 ( 0.668 -5.997 0.111) 6.035 6.436 ( -0.562 -4.690 -1.762) 5.041 6.556 ( 3.861 -1.719 0.815) 4.304 6.567 ( 2.946 -0.937 -0.175) 3.097 7.521 ( 1.711 2.368 2.266) 3.697 7.557 ( -0.132 3.039 -1.094) 3.233 7.846 ( 1.346 1.043 1.717) 2.418 7.859 ( 0.423 1.684 0.578) 1.830 8.023 ( -3.953 -2.659 1.819) 5.099 8.052 ( -4.153 -3.667 -1.010) 5.631 8.161 ( -3.441 -1.043 1.680) 3.969 8.209 ( -5.476 -1.610 -2.484) 6.225 8.580 ( 1.921 0.022 4.124) 4.550 8.657 ( -1.252 -0.291 -2.961) 3.228 9.025 ( -0.878 -7.551 -0.111) 7.603 9.044 ( -1.753 -7.095 -1.703) 7.504 9.631 ( -0.638 6.088 1.040) 6.209 9.645 ( -0.453 4.138 -0.250) 4.170 9.721 ( -0.981 5.057 -0.211) 5.155 9.753 ( -1.422 4.313 -2.989) 5.437 10.483 ( 4.237 -0.679 4.431) 6.168 10.525 ( 2.605 -0.399 1.355) 2.963 10.662 ( 3.208 -2.848 -3.241) 5.377 10.681 ( 2.336 -2.917 -4.153) 5.587 11.457 ( 4.333 3.460 2.574) 6.113 11.480 ( 3.630 3.328 0.638) 4.966 11.832 ( 2.310 -1.620 -1.153) 3.048 11.857 ( 1.201 -1.924 -3.362) 4.056 12.667 ( 1.163 -0.463 4.465) 4.637 12.719 ( 0.909 -0.936 1.489) 1.980 12.769 ( -2.526 0.815 4.815) 5.498 12.906 ( -5.919 -1.450 -5.823) 8.429 13.388 ( 4.289 6.089 1.880) 7.681 13.438 ( 2.919 5.818 -2.784) 7.079 14.204 ( 3.801 -8.589 4.019) 10.216 14.265 ( 0.815 -9.151 -1.643) 9.333 14.691 ( 2.397 2.039 1.361) 3.429 14.711 ( 1.528 2.408 -0.217) 2.860 14.829 ( -3.500 2.349 2.177) 4.744 14.887 ( -4.187 0.838 -2.744) 5.076 15.291 ( -1.682 2.860 5.871) 6.744 15.367 ( -5.067 2.600 -0.541) 5.720 15.547 ( -2.282 -0.775 0.504) 2.462 15.641 ( -6.762 -1.261 -8.546) 10.971 16.800 ( 4.456 0.866 2.188) 5.039 16.834 ( 4.196 1.082 -0.478) 4.359 17.078 ( -1.057 -1.254 4.612) 4.895 17.190 ( -4.619 -2.194 -5.589) 7.575 17.789 ( 3.610 1.150 -0.039) 3.789 17.822 ( 2.771 -0.310 -2.945) 4.056 18.205 ( 3.605 -2.586 2.637) 5.161 18.228 ( 2.790 -3.623 0.667) 4.621 18.446 ( 0.101 3.456 2.975) 4.562 18.502 ( -3.387 1.401 -2.371) 4.366 19.048 ( 3.285 -4.192 3.161) 6.193 19.091 ( 2.538 -5.845 -0.012) 6.372 19.330 ( 1.248 1.042 0.032) 1.626 19.345 ( 0.491 -1.112 -0.918) 1.524 19.478 ( -3.138 0.097 0.926) 3.273 19.529 ( -4.499 -4.801 -3.571) 7.486 19.977 ( 1.464 9.333 1.645) 9.590 20.020 ( -0.784 11.154 -2.566) 11.472 20.679 ( 0.979 -3.471 1.097) 3.769 20.723 ( -0.337 -3.012 -2.964) 4.239 21.039 ( 0.583 0.651 2.000) 2.183 21.073 ( -1.017 0.422 -1.380) 1.766 21.271 ( -0.207 -1.753 1.792) 2.515 21.327 ( -2.681 -3.089 -3.654) 5.484 22.138 ( 1.591 2.434 3.407) 4.480 22.182 ( -0.153 1.886 -0.745) 2.033 22.459 ( -1.245 -0.746 2.205) 2.640 22.519 ( -3.609 -1.412 -3.359) 5.128 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.433 2.855 3.559) 4.583 2.163 ( 0.433 2.855 3.559) 4.583 2.361 ( -3.884 -0.360 -3.389) 5.167 2.361 ( 3.884 -0.360 -3.389) 5.167 2.551 ( -7.568 -1.149 1.127) 7.737 2.551 ( 7.568 -1.149 1.127) 7.737 2.620 ( -7.494 -2.701 -4.275) 9.040 2.620 ( 7.494 -2.701 -4.275) 9.040 2.825 ( -1.899 -0.201 3.641) 4.111 2.825 ( 1.899 -0.201 3.641) 4.111 2.913 ( -4.283 -0.248 -0.127) 4.292 2.913 ( 4.283 -0.248 -0.127) 4.292 3.116 ( -2.292 3.548 1.650) 4.535 3.116 ( 2.292 3.548 1.650) 4.535 3.236 ( -4.797 3.946 -4.414) 7.620 3.236 ( 4.797 3.946 -4.414) 7.620 3.644 ( -2.714 -0.554 5.191) 5.883 3.644 ( 2.714 -0.554 5.191) 5.883 3.786 ( -1.421 -2.350 -6.410) 6.974 3.786 ( 1.421 -2.350 -6.410) 6.974 4.437 ( -2.693 1.261 3.288) 4.433 4.437 ( 2.693 1.261 3.288) 4.433 4.593 ( -1.241 -0.953 -1.235) 1.994 4.593 ( 1.241 -0.953 -1.235) 1.994 4.831 ( -3.597 1.802 2.719) 4.856 4.831 ( 3.597 1.802 2.719) 4.856 5.237 ( -0.914 -6.490 -0.079) 6.554 5.237 ( 0.914 -6.490 -0.079) 6.554 5.448 ( -2.402 3.708 3.122) 5.411 5.448 ( 2.402 3.708 3.122) 5.411 5.595 ( -4.012 0.629 -4.132) 5.793 5.595 ( 4.012 0.629 -4.132) 5.793 5.912 ( -1.163 4.537 -0.032) 4.683 5.912 ( 1.163 4.537 -0.032) 4.683 6.238 ( -0.791 2.860 0.676) 3.043 6.238 ( 0.791 2.860 0.676) 3.043 6.425 ( -0.574 -5.869 -1.013) 5.984 6.425 ( 0.574 -5.869 -1.013) 5.984 6.595 ( -0.229 -1.189 0.375) 1.268 6.595 ( 0.229 -1.189 0.375) 1.268 7.546 ( -0.903 2.673 0.937) 2.973 7.546 ( 0.903 2.673 0.937) 2.973 7.872 ( -0.751 2.203 1.889) 2.997 7.872 ( 0.751 2.203 1.889) 2.997 7.984 ( -1.458 -4.009 -0.790) 4.338 7.984 ( 1.458 -4.009 -0.790) 4.338 8.143 ( -1.298 -1.678 -0.036) 2.122 8.143 ( 1.298 -1.678 -0.036) 2.122 8.622 ( -2.189 -0.187 0.657) 2.293 8.622 ( 2.189 -0.187 0.657) 2.293 9.022 ( -0.506 -7.183 -1.004) 7.271 9.022 ( 0.506 -7.183 -1.004) 7.271 9.631 ( -0.700 5.980 0.333) 6.030 9.631 ( 0.700 5.980 0.333) 6.030 9.726 ( -1.186 4.456 -1.718) 4.920 9.726 ( 1.186 4.456 -1.718) 4.920 10.538 ( -1.235 -0.569 3.300) 3.569 10.538 ( 1.235 -0.569 3.300) 3.569 10.698 ( -0.503 -3.001 -3.997) 5.023 10.698 ( 0.503 -3.001 -3.997) 5.023 11.507 ( -0.692 2.970 1.979) 3.636 11.507 ( 0.692 2.970 1.979) 3.636 11.860 ( -0.692 -1.692 -2.492) 3.091 11.860 ( 0.692 -1.692 -2.492) 3.091 12.698 ( -2.015 0.237 5.324) 5.697 12.698 ( 2.015 0.237 5.324) 5.697 12.801 ( -4.458 -0.537 -3.303) 5.575 12.801 ( 4.458 -0.537 -3.303) 5.575 13.456 ( -1.560 5.749 -0.338) 5.966 13.456 ( 1.560 5.749 -0.338) 5.966 14.255 ( -1.582 -10.268 1.133) 10.451 14.255 ( 1.582 -10.268 1.133) 10.451 14.740 ( -2.240 2.068 2.906) 4.211 14.740 ( 2.240 2.068 2.906) 4.211 14.798 ( -3.625 2.875 -2.091) 5.077 14.798 ( 3.625 2.875 -2.091) 5.077 15.299 ( -2.108 2.689 2.662) 4.331 15.299 ( 2.108 2.689 2.662) 4.331 15.548 ( -2.546 -1.124 -4.424) 5.227 15.548 ( 2.546 -1.124 -4.424) 5.227 16.861 ( -1.379 1.004 2.473) 3.004 16.861 ( 1.379 1.004 2.473) 3.004 17.104 ( -3.588 -1.234 -2.176) 4.374 17.104 ( 3.588 -1.234 -2.176) 4.374 17.838 ( -1.108 -0.182 -1.212) 1.653 17.838 ( 1.108 -0.182 -1.212) 1.653 18.252 ( -0.684 -5.439 1.095) 5.590 18.252 ( 0.684 -5.439 1.095) 5.590 18.453 ( -1.274 5.036 0.287) 5.203 18.453 ( 1.274 5.036 0.287) 5.203 19.100 ( -1.520 -5.098 2.553) 5.901 19.100 ( 1.520 -5.098 2.553) 5.901 19.354 ( -0.600 -1.074 -0.662) 1.397 19.354 ( 0.600 -1.074 -0.662) 1.397 19.455 ( -1.853 -0.348 -1.721) 2.553 19.455 ( 1.853 -0.348 -1.721) 2.553 20.004 ( -1.107 9.812 0.009) 9.874 20.004 ( 1.107 9.812 0.009) 9.874 20.701 ( -1.413 -3.845 -1.615) 4.403 20.701 ( 1.413 -3.845 -1.615) 4.403 21.057 ( -0.950 0.592 0.522) 1.235 21.057 ( 0.950 0.592 0.522) 1.235 21.283 ( -1.562 -2.934 -0.781) 3.414 21.283 ( 1.562 -2.934 -0.781) 3.414 22.168 ( -1.278 3.088 1.451) 3.643 22.168 ( 1.278 3.088 1.451) 3.643 22.464 ( -1.735 -1.635 -0.748) 2.499 22.464 ( 1.735 -1.635 -0.748) 2.499 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 17.989 16.029) 24.094 1.662 ( 0.000 18.746 19.967) 27.388 1.903 ( 0.000 10.084 -14.219) 17.432 2.075 ( 0.000 14.729 -17.074) 22.549 2.276 ( 0.000 -11.418 16.936) 20.425 2.371 ( 0.000 -11.475 7.163) 13.527 2.529 ( 0.000 -9.996 -7.080) 12.249 2.582 ( 0.000 -5.558 -8.196) 9.902 2.750 ( 0.000 5.851 11.458) 12.865 2.868 ( 0.000 -2.030 -1.052) 2.287 2.986 ( 0.000 10.914 13.548) 17.397 3.126 ( 0.000 3.149 4.332) 5.356 3.260 ( 0.000 2.590 -4.107) 4.856 3.290 ( 0.000 -2.108 1.192) 2.422 3.386 ( 0.000 -1.980 0.272) 1.999 3.447 ( 0.000 2.014 2.201) 2.983 3.535 ( 0.000 -4.245 -4.875) 6.464 3.630 ( 0.000 9.139 -19.894) 21.893 3.780 ( 0.000 -7.340 4.186) 8.450 3.827 ( 0.000 0.744 -1.180) 1.395 3.960 ( 0.000 -1.297 1.034) 1.658 4.046 ( 0.000 -3.081 -2.294) 3.841 4.269 ( 0.000 -7.660 0.346) 7.667 4.379 ( 0.000 -11.911 -11.710) 16.704 5.049 ( 0.000 2.026 10.358) 10.554 5.115 ( 0.000 1.755 5.010) 5.309 5.236 ( 0.000 5.230 -3.641) 6.373 5.264 ( 0.000 2.676 -5.280) 5.919 5.363 ( 0.000 5.916 0.296) 5.923 5.470 ( 0.000 6.316 -6.025) 8.729 5.564 ( 0.000 -0.941 5.063) 5.150 5.718 ( 0.000 1.018 -7.706) 7.773 5.749 ( 0.000 1.224 1.093) 1.641 5.781 ( 0.000 1.353 -0.594) 1.478 5.921 ( 0.000 -4.376 4.994) 6.640 6.016 ( 0.000 -4.033 -3.516) 5.351 6.367 ( 0.000 2.067 4.318) 4.787 6.427 ( 0.000 2.118 -1.088) 2.381 6.565 ( 0.000 -6.621 4.729) 8.137 6.627 ( 0.000 -6.986 -0.732) 7.024 7.530 ( 0.000 5.506 1.421) 5.687 7.563 ( 0.000 4.202 -1.562) 4.483 7.920 ( 0.000 -1.879 2.171) 2.871 7.961 ( 0.000 -1.153 -1.989) 2.299 8.146 ( 0.000 -0.927 1.201) 1.517 8.166 ( 0.000 -0.891 -1.082) 1.402 8.416 ( 0.000 -1.866 2.778) 3.346 8.465 ( 0.000 -3.787 -1.937) 4.254 8.812 ( 0.000 3.018 7.019) 7.640 8.969 ( 0.000 2.145 -7.326) 7.634 9.044 ( 0.000 -6.320 2.502) 6.797 9.120 ( 0.000 -4.481 -4.270) 6.190 9.699 ( 0.000 0.675 1.525) 1.668 9.719 ( 0.000 -0.015 0.729) 0.729 9.774 ( 0.000 -0.230 0.457) 0.512 9.796 ( 0.000 -0.961 -0.777) 1.235 10.124 ( 0.000 0.373 0.247) 0.447 10.153 ( 0.000 -1.287 -2.347) 2.677 10.316 ( 0.000 1.408 0.218) 1.425 10.340 ( 0.000 0.519 -1.640) 1.720 11.019 ( 0.000 9.017 0.875) 9.059 11.052 ( 0.000 8.966 -2.014) 9.189 11.349 ( 0.000 -7.506 2.932) 8.059 11.420 ( 0.000 -8.714 -3.793) 9.503 12.608 ( 0.000 -1.174 8.540) 8.620 12.700 ( 0.000 -5.370 1.599) 5.603 12.929 ( 0.000 -0.041 2.072) 2.073 12.987 ( 0.000 -2.459 -2.329) 3.387 13.549 ( 0.000 1.274 7.588) 7.694 13.662 ( 0.000 -3.638 -2.103) 4.202 14.005 ( 0.000 2.138 -4.123) 4.644 14.038 ( 0.000 0.543 -6.368) 6.392 14.834 ( 0.000 6.669 8.278) 10.630 14.984 ( 0.000 6.512 -4.915) 8.159 15.108 ( 0.000 -4.462 6.615) 7.979 15.230 ( 0.000 -4.049 -4.082) 5.749 15.343 ( 0.000 2.674 1.604) 3.118 15.389 ( 0.000 0.387 -2.499) 2.529 16.159 ( 0.000 0.787 0.588) 0.982 16.197 ( 0.000 -1.140 -3.137) 3.338 16.539 ( 0.000 3.430 3.162) 4.665 16.619 ( 0.000 2.137 -3.910) 4.456 16.979 ( 0.000 -9.252 3.564) 9.914 17.041 ( 0.000 -9.189 -2.217) 9.453 17.542 ( 0.000 4.115 0.926) 4.218 17.557 ( 0.000 2.916 -0.408) 2.945 17.875 ( 0.000 -3.920 0.893) 4.020 17.894 ( 0.000 -4.946 -1.151) 5.078 18.483 ( 0.000 2.826 5.447) 6.136 18.565 ( 0.000 -0.791 -2.319) 2.450 18.864 ( 0.000 2.268 0.406) 2.304 18.902 ( 0.000 1.170 -3.005) 3.225 19.384 ( 0.000 0.821 2.047) 2.206 19.424 ( 0.000 -0.493 -1.604) 1.678 19.508 ( 0.000 1.116 0.624) 1.279 19.523 ( 0.000 0.814 -0.959) 1.258 20.067 ( 0.000 11.329 6.037) 12.837 20.225 ( 0.000 12.786 -8.313) 15.251 20.514 ( 0.000 -4.594 4.482) 6.419 20.637 ( 0.000 -2.830 -5.783) 6.438 21.145 ( 0.000 6.395 5.127) 8.196 21.288 ( 0.000 2.220 -8.272) 8.565 21.328 ( 0.000 -1.645 1.693) 2.361 21.378 ( 0.000 -0.761 -3.629) 3.708 22.134 ( 0.000 -1.603 1.865) 2.459 22.152 ( 0.000 -2.478 0.407) 2.511 22.668 ( 0.000 -2.383 3.025) 3.851 22.716 ( 0.000 -3.952 -1.625) 4.273 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 5.241 17.804 15.687) 24.300 1.743 ( 7.324 15.370 17.370) 24.323 1.958 ( 4.866 10.668 -12.963) 17.479 2.130 ( 4.882 10.541 -14.576) 18.639 2.304 ( 2.598 -11.404 15.378) 19.320 2.384 ( 1.880 -12.033 6.290) 13.707 2.524 ( 0.296 -10.840 -6.509) 12.647 2.610 ( 2.326 -8.130 -10.912) 13.805 2.815 ( 4.280 3.092 6.046) 8.027 2.874 ( 0.132 -1.616 -0.404) 1.671 2.996 ( 1.875 12.190 14.281) 18.870 3.130 ( 0.500 4.903 3.553) 6.075 3.235 ( -1.381 0.741 -1.589) 2.231 3.273 ( -1.034 -0.812 0.426) 1.382 3.410 ( 0.223 1.148 2.636) 2.884 3.430 ( -0.261 0.770 1.715) 1.898 3.528 ( -0.383 -3.414 -4.548) 5.700 3.665 ( 2.398 6.864 -12.728) 14.658 3.787 ( 0.291 -0.270 -2.313) 2.347 3.820 ( -0.724 -1.947 0.080) 2.079 3.924 ( -3.178 -1.761 3.132) 4.797 4.041 ( 0.526 -1.207 -5.245) 5.408 4.287 ( 2.262 -8.177 0.999) 8.543 4.406 ( 2.900 -10.284 -10.984) 15.323 4.989 ( -4.956 3.334 8.973) 10.780 5.123 ( -4.578 -1.704 3.934) 6.272 5.167 ( -1.746 4.878 -4.235) 6.691 5.243 ( -0.655 2.890 -2.947) 4.179 5.427 ( 3.737 6.322 0.843) 7.392 5.482 ( 2.099 8.766 -3.061) 9.520 5.602 ( 3.306 -0.112 2.046) 3.890 5.690 ( -1.365 1.063 -3.294) 3.720 5.806 ( 4.886 1.721 0.987) 5.273 5.852 ( 5.162 0.372 -2.648) 5.813 5.973 ( 5.118 -5.227 3.735) 8.214 6.054 ( 3.633 -4.486 -3.211) 6.606 6.366 ( -0.287 1.221 3.829) 4.029 6.422 ( -0.577 1.046 -1.292) 1.759 6.527 ( -3.687 -6.380 3.829) 8.304 6.573 ( -4.863 -6.622 -0.194) 8.218 7.524 ( -0.355 5.329 2.169) 5.765 7.569 ( 0.613 4.029 -2.055) 4.564 7.900 ( -1.806 -2.074 2.197) 3.520 7.945 ( -1.546 -1.719 -2.131) 3.145 8.144 ( -0.390 -0.199 1.417) 1.483 8.168 ( 0.045 -0.264 -1.171) 1.201 8.397 ( -1.710 -2.300 3.343) 4.403 8.459 ( -1.173 -4.731 -2.412) 5.439 8.747 ( -5.034 4.887 5.854) 9.137 8.878 ( -7.237 3.964 -6.162) 10.298 9.029 ( -2.428 -8.076 3.213) 9.025 9.107 ( -2.683 -7.016 -4.075) 8.545 9.666 ( -0.146 2.150 4.462) 4.955 9.742 ( 2.037 0.310 -0.628) 2.154 9.788 ( -0.057 0.726 -0.439) 0.850 9.837 ( 2.339 -0.121 -3.051) 3.846 10.154 ( 3.477 0.267 0.492) 3.521 10.193 ( 4.024 -1.532 -2.865) 5.171 10.352 ( 3.596 1.054 1.041) 3.889 10.386 ( 3.769 -0.293 -1.884) 4.224 11.101 ( 7.868 8.647 0.608) 11.707 11.124 ( 6.868 8.521 -1.255) 11.016 11.421 ( 6.747 -6.705 1.828) 9.686 11.479 ( 5.651 -7.986 -3.555) 10.409 12.608 ( 0.020 -1.199 8.213) 8.301 12.691 ( -0.849 -4.921 2.270) 5.486 12.928 ( -0.293 -0.381 1.822) 1.884 12.984 ( -0.383 -2.691 -2.249) 3.528 13.561 ( 0.649 4.624 7.924) 9.197 13.693 ( 2.144 -1.336 -2.734) 3.722 13.940 ( -5.947 -0.053 -3.977) 7.154 13.971 ( -4.509 -1.296 -5.398) 7.152 14.804 ( -2.840 4.919 6.185) 8.397 14.888 ( -7.063 3.345 -0.344) 7.823 15.066 ( -2.837 0.118 1.541) 3.231 15.137 ( -6.111 -1.594 -3.973) 7.462 15.427 ( 4.476 0.656 2.477) 5.157 15.453 ( 3.723 -0.077 -0.002) 3.724 16.084 ( -7.697 1.301 1.002) 7.870 16.147 ( -5.778 -2.060 -5.125) 7.993 16.545 ( 1.652 3.673 2.684) 4.840 16.609 ( 0.009 2.463 -3.124) 3.978 17.025 ( 3.633 -8.590 3.184) 9.855 17.075 ( 2.975 -9.010 -1.691) 9.638 17.579 ( 3.493 3.925 1.482) 5.459 17.611 ( 4.879 3.196 -1.369) 5.992 17.904 ( 2.872 -3.928 1.489) 5.088 17.942 ( 4.435 -4.931 -2.282) 7.014 18.479 ( -0.275 4.138 4.863) 6.391 18.565 ( 0.050 -0.140 -3.217) 3.221 18.869 ( 0.335 1.140 1.197) 1.686 18.910 ( 0.466 0.045 -2.498) 2.541 19.355 ( -2.034 0.735 1.940) 2.905 19.392 ( -1.810 0.157 -1.495) 2.353 19.498 ( -1.155 -0.830 1.161) 1.836 19.525 ( -0.484 -1.547 -1.406) 2.146 20.109 ( 3.457 10.793 5.901) 12.778 20.253 ( 2.065 10.616 -6.882) 12.819 20.521 ( 0.739 -3.088 3.515) 4.737 20.630 ( -0.339 -2.323 -5.650) 6.118 21.140 ( -0.666 5.896 4.860) 7.670 21.269 ( -1.898 2.121 -6.629) 7.214 21.314 ( -1.326 -1.290 1.581) 2.433 21.378 ( -0.137 -1.607 -4.318) 4.609 22.128 ( -0.587 -1.605 1.886) 2.545 22.144 ( -0.587 -2.418 0.752) 2.599 22.642 ( -2.339 -0.912 3.046) 3.947 22.699 ( -1.825 -3.423 -2.492) 4.610 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 9.729 12.353 12.834) 20.296 1.914 ( 9.721 11.479 11.419) 18.886 2.056 ( 4.812 6.283 -6.801) 10.434 2.232 ( 5.180 4.229 -9.774) 11.843 2.353 ( 2.234 -10.216 10.743) 14.993 2.452 ( 3.921 -9.271 3.001) 10.503 2.556 ( 3.543 -10.095 -5.816) 12.178 2.665 ( 3.172 -6.453 -9.749) 12.114 2.826 ( -3.309 0.047 0.553) 3.355 2.852 ( -2.277 -0.762 -1.025) 2.611 3.044 ( 0.828 4.213 5.892) 7.291 3.128 ( -1.365 4.114 -1.130) 4.479 3.217 ( -1.966 -2.275 1.489) 3.356 3.261 ( -1.323 -0.471 -0.259) 1.428 3.390 ( 0.527 5.425 5.091) 7.458 3.459 ( 1.237 2.205 -0.320) 2.549 3.548 ( 4.307 1.345 3.532) 5.730 3.695 ( 0.373 0.797 -0.243) 0.913 3.762 ( -3.650 0.479 -1.665) 4.040 3.788 ( -1.368 0.059 -5.058) 5.241 3.907 ( 2.702 3.007 6.257) 7.450 4.106 ( 6.690 2.514 -11.516) 13.553 4.360 ( 4.933 -5.576 2.617) 7.891 4.488 ( 4.832 -6.405 -8.725) 11.853 4.893 ( -3.803 2.747 5.922) 7.555 4.992 ( -6.013 0.462 -1.959) 6.340 5.143 ( -2.856 1.870 2.286) 4.108 5.224 ( -1.540 -0.159 -3.545) 3.868 5.490 ( 2.495 7.227 2.637) 8.087 5.530 ( 1.938 8.437 -0.580) 8.676 5.649 ( 0.154 0.349 1.664) 1.707 5.693 ( 2.127 2.327 -3.264) 4.537 5.905 ( 4.731 1.891 1.816) 5.409 5.948 ( 4.359 0.864 -2.119) 4.924 6.103 ( 7.456 -5.902 1.415) 9.614 6.142 ( 4.983 -5.599 -1.771) 7.702 6.342 ( -2.286 -1.696 3.272) 4.337 6.399 ( -2.112 -3.464 -2.033) 4.538 6.445 ( -3.230 -2.822 3.131) 5.310 6.486 ( -3.037 -3.927 -0.691) 5.012 7.526 ( 0.730 5.067 3.130) 6.000 7.587 ( 1.246 3.725 -2.464) 4.637 7.859 ( -2.221 -2.287 2.311) 3.937 7.908 ( -2.028 -2.458 -2.370) 3.971 8.125 ( -1.653 0.625 2.005) 2.673 8.159 ( -1.184 0.798 -1.350) 1.965 8.342 ( -4.642 -3.434 3.291) 6.646 8.403 ( -4.613 -4.535 -2.039) 6.783 8.657 ( -4.068 5.216 3.863) 7.660 8.749 ( -4.764 4.580 -4.276) 7.871 8.955 ( -4.271 -8.896 2.743) 10.242 9.023 ( -5.029 -8.616 -3.450) 10.556 9.691 ( 1.725 3.285 4.553) 5.873 9.775 ( -0.690 1.595 1.335) 2.191 9.789 ( 1.866 2.722 -2.268) 4.005 9.860 ( 0.425 1.382 -4.396) 4.628 10.253 ( 6.021 0.037 1.703) 6.257 10.298 ( 6.315 -1.842 -1.943) 6.859 10.439 ( 4.909 -0.438 -0.315) 4.939 10.468 ( 4.584 -1.695 -2.324) 5.412 11.288 ( 9.472 7.578 0.322) 12.135 11.290 ( 10.144 8.107 0.032) 12.986 11.574 ( 8.018 -5.165 0.169) 9.539 11.613 ( 7.305 -6.377 -3.336) 10.254 12.612 ( 0.429 -1.024 7.267) 7.352 12.674 ( -0.625 -3.820 3.329) 5.106 12.909 ( -1.872 -0.314 1.897) 2.684 12.973 ( -0.749 -2.946 -2.639) 4.025 13.540 ( -2.692 9.993 4.839) 11.424 13.651 ( -6.987 7.440 -4.959) 11.347 13.884 ( 2.428 -6.925 2.163) 7.651 13.961 ( 3.537 -7.820 -4.781) 9.825 14.738 ( -3.147 3.160 3.711) 5.802 14.787 ( -3.325 1.462 -0.725) 3.704 14.997 ( -4.077 1.584 0.567) 4.411 15.034 ( -4.474 -0.213 -2.794) 5.279 15.458 ( -0.940 1.391 5.166) 5.432 15.499 ( 0.787 -0.581 1.785) 2.035 15.885 ( -11.736 2.338 0.273) 11.969 15.977 ( -10.740 -2.473 -8.176) 13.723 16.615 ( 5.020 2.574 1.614) 5.868 16.649 ( 4.063 1.939 -1.423) 4.721 17.076 ( 1.191 -5.188 4.176) 6.766 17.139 ( 2.973 -7.676 -1.836) 8.433 17.666 ( 5.161 3.839 1.310) 6.565 17.712 ( 4.838 3.652 -2.865) 6.705 17.976 ( 4.093 -4.405 2.553) 6.533 18.036 ( 4.549 -4.593 -2.890) 7.081 18.485 ( 1.130 5.704 3.893) 6.998 18.570 ( 0.391 1.124 -4.078) 4.248 18.872 ( 0.068 -2.941 1.733) 3.414 18.906 ( -0.848 -3.127 -1.534) 3.585 19.333 ( -0.111 1.045 2.363) 2.586 19.377 ( 0.023 1.089 -1.773) 2.081 19.476 ( -0.619 -3.290 1.381) 3.622 19.508 ( -0.746 -3.386 -1.665) 3.846 20.159 ( 1.030 10.126 5.103) 11.386 20.276 ( -0.074 8.709 -5.468) 10.283 20.544 ( 1.566 -2.506 3.465) 4.554 20.638 ( 1.070 -2.505 -5.196) 5.867 21.116 ( -1.787 4.781 4.069) 6.528 21.213 ( -3.675 2.433 -4.538) 6.326 21.286 ( -1.452 -1.627 2.052) 2.994 21.363 ( -1.707 -3.128 -5.099) 6.221 22.118 ( -0.015 -0.606 2.825) 2.890 22.145 ( 0.802 -1.863 0.304) 2.051 22.587 ( -3.260 0.764 2.368) 4.101 22.646 ( -3.485 -2.195 -3.313) 5.286 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 11.510 5.146 7.975) 14.919 2.103 ( 9.214 6.175 2.635) 11.401 2.153 ( 5.264 0.549 2.035) 5.671 2.302 ( 1.345 0.056 -3.441) 3.695 2.416 ( 4.502 -3.158 3.758) 6.660 2.494 ( 1.335 -5.714 0.130) 5.869 2.642 ( 0.726 -3.114 -2.136) 3.845 2.676 ( -2.614 -2.169 -2.003) 3.943 2.763 ( -1.025 -0.178 -3.822) 3.961 2.816 ( 1.172 -1.722 -5.492) 5.873 3.012 ( -3.444 1.816 2.583) 4.672 3.076 ( -3.510 2.060 -3.222) 5.191 3.164 ( -3.043 -3.395 1.073) 4.684 3.191 ( -4.201 -1.541 -1.438) 4.700 3.385 ( -2.143 2.968 2.407) 4.381 3.454 ( -1.585 1.119 -3.538) 4.035 3.616 ( -1.708 0.451 5.811) 6.074 3.693 ( -0.237 -0.118 -0.131) 0.295 3.730 ( 1.978 -0.023 1.536) 2.504 3.780 ( -0.082 -1.943 -1.517) 2.466 4.050 ( 12.384 8.310 9.199) 17.523 4.281 ( 9.834 2.360 -9.442) 13.835 4.456 ( 4.490 0.577 3.396) 5.659 4.561 ( 2.531 0.286 -4.789) 5.424 4.857 ( -0.971 0.924 2.062) 2.460 4.928 ( 0.122 -0.967 -3.638) 3.767 5.075 ( -3.228 0.465 4.245) 5.353 5.174 ( -3.223 -2.255 -4.483) 5.964 5.521 ( 0.729 5.309 2.553) 5.936 5.546 ( -0.087 5.507 0.459) 5.527 5.630 ( -1.866 0.019 3.491) 3.959 5.713 ( -0.728 -0.152 -4.277) 4.341 5.980 ( 2.709 4.621 1.494) 5.561 6.010 ( 1.693 2.612 -1.276) 3.364 6.208 ( 2.310 -4.146 1.166) 4.888 6.224 ( 3.008 -5.612 -0.841) 6.423 6.317 ( 0.301 -2.163 1.783) 2.820 6.362 ( -0.656 -4.042 -2.246) 4.670 6.432 ( 1.707 -1.845 2.523) 3.561 6.472 ( 1.746 -2.637 -1.190) 3.379 7.552 ( 1.861 4.883 3.448) 6.261 7.616 ( 1.576 3.925 -2.432) 4.879 7.824 ( -1.041 -2.555 2.240) 3.554 7.872 ( -1.486 -2.632 -2.153) 3.711 8.074 ( -3.664 0.480 2.425) 4.420 8.111 ( -3.932 1.702 -1.041) 4.410 8.221 ( -6.683 -3.444 2.992) 8.091 8.287 ( -6.910 -4.037 -2.930) 8.522 8.602 ( -1.156 4.284 4.606) 6.395 8.696 ( -1.523 2.700 -3.961) 5.030 8.890 ( -2.127 -8.856 1.488) 9.228 8.940 ( -3.190 -8.309 -2.968) 9.382 9.716 ( 0.979 4.306 2.776) 5.216 9.761 ( -0.546 4.259 -0.492) 4.322 9.812 ( 0.458 3.241 0.204) 3.279 9.860 ( -0.543 2.912 -3.329) 4.456 10.368 ( 5.535 -0.466 3.646) 6.644 10.418 ( 5.497 -2.208 0.165) 5.926 10.532 ( 4.473 -1.867 -2.670) 5.533 10.556 ( 4.143 -2.820 -3.517) 6.123 11.450 ( 6.928 7.023 1.695) 10.010 11.470 ( 7.407 6.792 -0.195) 10.052 11.708 ( 5.404 -4.138 -0.681) 6.841 11.737 ( 4.977 -4.932 -3.337) 7.761 12.629 ( 1.374 -0.496 5.870) 6.049 12.673 ( 0.561 -2.343 3.617) 4.346 12.856 ( -3.329 1.039 2.320) 4.189 12.945 ( -2.548 -3.168 -4.276) 5.900 13.500 ( -0.672 9.097 1.430) 9.233 13.548 ( -1.448 8.651 -3.084) 9.298 13.965 ( 4.172 -7.843 4.287) 9.864 14.043 ( 3.343 -9.775 -3.132) 10.795 14.706 ( -0.033 2.529 2.259) 3.391 14.746 ( -0.966 1.108 -1.306) 1.966 14.923 ( -3.248 1.541 0.732) 3.668 14.957 ( -3.458 -0.215 -2.391) 4.210 15.411 ( -3.338 2.904 7.394) 8.616 15.483 ( -2.290 -0.321 2.479) 3.390 15.668 ( -9.716 2.237 -1.401) 10.068 15.769 ( -9.919 -2.454 -9.356) 13.854 16.721 ( 5.600 1.589 1.848) 6.107 16.750 ( 5.866 1.065 -0.682) 6.000 17.076 ( -0.943 -1.775 4.883) 5.280 17.167 ( -0.346 -5.544 -3.531) 6.582 17.766 ( 4.791 2.946 -0.100) 5.625 17.791 ( 3.394 4.765 -2.492) 6.359 18.046 ( 2.911 -5.986 3.276) 7.418 18.109 ( 2.840 -4.563 -2.292) 5.843 18.519 ( 2.082 6.679 2.430) 7.406 18.574 ( -0.019 3.204 -2.802) 4.256 18.881 ( 0.832 -7.942 1.249) 8.083 18.897 ( 0.746 -7.003 -0.554) 7.064 19.339 ( 0.570 2.250 2.465) 3.386 19.382 ( 0.313 2.973 -1.357) 3.283 19.476 ( 0.185 -4.165 0.453) 4.194 19.499 ( -0.538 -2.593 -1.650) 3.120 20.160 ( -0.130 10.529 4.095) 11.298 20.257 ( -1.387 9.573 -5.078) 10.925 20.572 ( 0.935 -4.737 3.862) 6.183 20.653 ( -0.013 -4.607 -3.966) 6.078 21.080 ( -1.488 3.697 2.687) 4.806 21.142 ( -3.202 2.554 -2.913) 5.027 21.256 ( -1.668 -2.308 1.356) 3.154 21.312 ( -3.216 -4.400 -4.094) 6.817 22.139 ( 2.131 1.294 3.294) 4.131 22.174 ( 2.158 -0.441 -0.047) 2.203 22.517 ( -3.882 0.875 1.581) 4.282 22.569 ( -4.334 -1.680 -3.342) 5.725 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.183 2.190 3.932) 8.476 2.231 ( 2.818 0.403 1.626) 3.278 2.256 ( 4.396 2.400 2.989) 5.833 2.330 ( 4.155 -1.062 -2.831) 5.139 2.477 ( 2.308 0.797 -1.210) 2.725 2.524 ( -1.323 1.388 -3.863) 4.312 2.569 ( -1.427 -4.055 2.280) 4.866 2.627 ( -2.236 -3.450 -2.863) 5.010 2.798 ( 1.672 0.885 0.656) 2.002 2.849 ( 0.602 -0.297 -3.337) 3.404 2.929 ( -4.874 0.932 2.620) 5.611 2.990 ( -5.713 -1.307 -2.643) 6.429 3.132 ( 1.846 1.809 1.125) 2.818 3.170 ( 2.546 1.709 -2.902) 4.222 3.329 ( -3.320 2.935 2.557) 5.116 3.395 ( -4.123 0.765 -3.257) 5.310 3.585 ( -0.032 0.087 5.250) 5.251 3.676 ( -0.823 -0.353 -1.656) 1.883 3.740 ( -2.161 -3.223 -0.245) 3.888 3.764 ( -1.474 -2.142 -1.702) 3.107 4.308 ( 11.689 3.866 7.489) 14.411 4.436 ( 5.544 0.288 -1.901) 5.868 4.534 ( 3.403 2.620 2.448) 4.944 4.600 ( 1.083 2.029 -2.905) 3.705 4.841 ( 0.192 2.742 2.917) 4.008 4.928 ( -1.906 1.432 -3.503) 4.237 5.065 ( 2.205 -5.478 1.349) 6.057 5.125 ( -1.497 -5.197 -3.272) 6.321 5.519 ( -0.380 5.226 2.700) 5.895 5.549 ( 0.292 2.917 0.054) 2.932 5.584 ( -2.045 0.381 3.243) 3.853 5.673 ( -3.118 -1.658 -4.240) 5.518 6.003 ( 0.107 5.229 0.449) 5.249 6.018 ( -0.430 4.927 -0.939) 5.034 6.246 ( 2.153 -2.178 1.308) 3.330 6.265 ( 1.477 -6.216 -0.774) 6.436 6.323 ( 0.320 3.006 0.421) 3.052 6.347 ( -0.982 -1.804 -1.825) 2.748 6.502 ( 3.842 -3.879 1.696) 5.717 6.524 ( 2.561 -3.780 -0.281) 4.574 7.591 ( 1.882 4.967 2.730) 5.972 7.635 ( 0.045 4.952 -1.349) 5.133 7.828 ( 1.496 -3.864 1.472) 4.397 7.860 ( 0.420 -3.306 -1.259) 3.562 7.988 ( -4.756 0.765 2.166) 5.282 8.015 ( -5.107 1.248 -0.195) 5.261 8.120 ( -3.393 -3.203 1.840) 5.015 8.161 ( -5.358 -3.570 -1.761) 6.675 8.608 ( 1.419 3.263 3.134) 4.742 8.672 ( -1.202 2.144 -2.633) 3.602 8.868 ( -0.383 -8.358 0.106) 8.367 8.895 ( -1.609 -7.842 -2.341) 8.341 9.736 ( 1.125 5.034 1.114) 5.277 9.755 ( -0.079 5.883 -0.254) 5.889 9.811 ( -0.364 3.888 0.299) 3.917 9.839 ( -1.484 3.781 -2.042) 4.546 10.461 ( 3.887 -1.265 4.809) 6.311 10.498 ( 2.538 -2.399 2.965) 4.581 10.604 ( 2.772 -2.650 -4.968) 6.276 10.620 ( 2.190 -3.086 -4.710) 6.042 11.551 ( 3.466 6.088 2.070) 7.305 11.569 ( 2.842 5.752 0.473) 6.433 11.782 ( 2.386 -3.739 -1.353) 4.637 11.800 ( 1.619 -4.162 -2.962) 5.358 12.663 ( 2.034 0.176 4.880) 5.290 12.698 ( 1.803 -1.265 3.488) 4.125 12.793 ( -2.700 1.703 0.914) 3.320 12.872 ( -4.511 -2.085 -4.396) 6.635 13.536 ( 3.929 8.986 1.576) 9.933 13.578 ( 2.912 8.458 -2.513) 9.292 14.016 ( 1.045 -10.400 3.205) 10.932 14.065 ( -0.975 -11.222 -1.494) 11.363 14.732 ( 2.388 2.136 1.843) 3.696 14.752 ( 1.617 1.576 0.206) 2.268 14.870 ( -2.481 1.751 0.074) 3.037 14.898 ( -2.889 0.226 -2.228) 3.655 15.356 ( -1.608 3.688 6.200) 7.391 15.419 ( -3.781 2.082 1.823) 4.686 15.533 ( -3.824 -0.261 -1.756) 4.216 15.606 ( -6.613 -2.374 -7.597) 10.348 16.823 ( 4.706 1.561 2.839) 5.714 16.857 ( 4.458 0.960 0.466) 4.584 17.051 ( -1.141 -1.044 2.454) 2.901 17.129 ( -3.206 -3.927 -4.143) 6.547 17.836 ( 2.389 3.031 -0.491) 3.891 17.851 ( 2.409 4.548 -1.911) 5.490 18.089 ( 1.723 -7.643 2.718) 8.293 18.140 ( 0.195 -6.464 -2.028) 6.778 18.557 ( 1.623 7.598 1.063) 7.842 18.574 ( 0.210 6.329 -0.722) 6.374 18.907 ( 1.896 -9.734 1.864) 10.091 18.930 ( 1.661 -10.042 -0.136) 10.180 19.355 ( 1.097 2.642 1.754) 3.356 19.390 ( 0.505 3.359 -1.398) 3.673 19.464 ( -1.569 -2.169 -0.173) 2.683 19.480 ( -1.286 -0.593 -1.309) 1.929 20.172 ( 1.452 10.778 2.621) 11.187 20.233 ( -1.089 10.871 -3.114) 11.360 20.576 ( -0.088 -7.087 2.408) 7.485 20.631 ( -2.112 -6.804 -2.726) 7.628 21.069 ( 0.302 2.692 1.092) 2.921 21.099 ( -1.256 2.260 -1.787) 3.143 21.224 ( -1.394 -3.075 0.427) 3.403 21.250 ( -2.835 -4.647 -2.195) 5.869 22.193 ( 3.092 3.007 3.033) 5.272 22.222 ( 2.357 1.886 0.482) 3.057 22.444 ( -3.165 -0.626 0.632) 3.288 22.483 ( -4.261 -2.169 -2.885) 5.584 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -1.273 3.716 3.723) 5.412 2.230 ( 1.273 3.716 3.723) 5.412 2.357 ( -4.215 0.051 -3.435) 5.438 2.357 ( 4.215 0.051 -3.435) 5.438 2.527 ( -2.661 -1.244 -0.798) 3.044 2.527 ( 2.661 -1.244 -0.798) 3.044 2.567 ( -4.934 -2.748 -2.470) 6.164 2.567 ( 4.934 -2.748 -2.470) 6.164 2.828 ( -2.867 0.691 2.045) 3.589 2.828 ( 2.867 0.691 2.045) 3.589 2.893 ( -3.172 -1.533 -0.582) 3.571 2.893 ( 3.172 -1.533 -0.582) 3.571 3.206 ( -3.450 5.180 2.228) 6.611 3.206 ( 3.450 5.180 2.228) 6.611 3.305 ( -4.114 2.534 -2.822) 5.595 3.305 ( 4.114 2.534 -2.822) 5.595 3.630 ( -3.979 -0.572 3.906) 5.605 3.630 ( 3.979 -0.572 3.906) 5.605 3.724 ( -1.837 -3.802 -4.452) 6.136 3.724 ( 1.837 -3.802 -4.452) 6.136 4.463 ( -3.828 1.287 4.635) 6.148 4.463 ( 3.828 1.287 4.635) 6.148 4.585 ( -2.230 0.041 -1.890) 2.924 4.585 ( 2.230 0.041 -1.890) 2.924 4.878 ( -2.838 3.335 1.704) 4.699 4.878 ( 2.838 3.335 1.704) 4.699 5.103 ( -1.263 -7.139 -1.774) 7.464 5.103 ( 1.263 -7.139 -1.774) 7.464 5.527 ( -1.349 4.160 3.050) 5.332 5.527 ( 1.349 4.160 3.050) 5.332 5.605 ( -3.213 0.218 -2.730) 4.222 5.605 ( 3.213 0.218 -2.730) 4.222 6.007 ( -0.474 5.417 -0.527) 5.463 6.007 ( 0.474 5.417 -0.527) 5.463 6.276 ( -0.552 -6.696 0.058) 6.719 6.276 ( 0.552 -6.696 0.058) 6.719 6.332 ( -0.579 4.232 -0.456) 4.296 6.332 ( 0.579 4.232 -0.456) 4.296 6.546 ( -0.515 -4.056 0.670) 4.143 6.546 ( 0.515 -4.056 0.670) 4.143 7.621 ( -1.214 5.232 0.878) 5.442 7.621 ( 1.214 5.232 0.878) 5.442 7.866 ( -1.475 -6.230 0.396) 6.414 7.866 ( 1.475 -6.230 0.396) 6.414 7.940 ( -1.652 3.068 0.545) 3.527 7.940 ( 1.652 3.068 0.545) 3.527 8.096 ( -1.118 -3.394 0.324) 3.588 8.096 ( 1.118 -3.394 0.324) 3.588 8.643 ( -1.829 2.743 0.203) 3.304 8.643 ( 1.829 2.743 0.203) 3.304 8.872 ( -0.781 -7.991 -1.328) 8.138 8.872 ( 0.781 -7.991 -1.328) 8.138 9.753 ( -0.408 6.151 0.282) 6.171 9.753 ( 0.408 6.151 0.282) 6.171 9.813 ( -0.833 3.790 -0.738) 3.950 9.813 ( 0.833 3.790 -0.738) 3.950 10.512 ( -1.107 -2.011 4.725) 5.253 10.512 ( 1.107 -2.011 4.725) 5.253 10.637 ( -0.465 -2.991 -5.590) 6.357 10.637 ( 0.465 -2.991 -5.590) 6.357 11.589 ( -0.541 5.494 1.486) 5.717 11.589 ( 0.541 5.494 1.486) 5.717 11.809 ( -0.496 -3.803 -2.193) 4.418 11.809 ( 0.496 -3.803 -2.193) 4.418 12.703 ( -1.759 0.315 5.138) 5.440 12.703 ( 1.759 0.315 5.138) 5.440 12.792 ( -3.061 -0.348 -3.121) 4.385 12.792 ( 3.061 -0.348 -3.121) 4.385 13.602 ( -1.460 9.400 -0.164) 9.514 13.602 ( 1.460 9.400 -0.164) 9.514 14.032 ( -1.444 -12.573 0.494) 12.666 14.032 ( 1.444 -12.573 0.494) 12.666 14.778 ( -1.117 1.861 2.724) 3.483 14.778 ( 1.117 1.861 2.724) 3.483 14.843 ( -1.562 1.563 -2.186) 3.109 14.843 ( 1.562 1.563 -2.186) 3.109 15.360 ( -1.896 3.437 2.917) 4.891 15.360 ( 1.896 3.437 2.917) 4.891 15.518 ( -2.172 -1.958 -3.908) 4.881 15.518 ( 2.172 -1.958 -3.908) 4.881 16.890 ( -1.486 1.977 3.344) 4.159 16.890 ( 1.486 1.977 3.344) 4.159 17.063 ( -2.745 -2.914 -2.763) 4.864 17.063 ( 2.745 -2.914 -2.763) 4.864 17.867 ( -0.658 3.702 -0.798) 3.844 17.867 ( 0.658 3.702 -0.798) 3.844 18.122 ( -1.623 -7.872 -0.190) 8.040 18.122 ( 1.623 -7.872 -0.190) 8.040 18.576 ( -0.337 7.831 0.390) 7.848 18.576 ( 0.337 7.831 0.390) 7.848 18.939 ( -0.870 -10.475 1.273) 10.588 18.939 ( 0.870 -10.475 1.273) 10.588 19.383 ( -1.494 2.918 -0.261) 3.288 19.383 ( 1.494 2.918 -0.261) 3.288 19.453 ( -1.046 -0.209 -0.685) 1.268 19.453 ( 1.046 -0.209 -0.685) 1.268 20.207 ( -1.735 11.190 0.123) 11.324 20.207 ( 1.735 11.190 0.123) 11.324 20.589 ( -1.632 -7.924 -0.611) 8.113 20.589 ( 1.632 -7.924 -0.611) 8.113 21.082 ( -0.789 2.215 -0.321) 2.374 21.082 ( 0.789 2.215 -0.321) 2.374 21.214 ( -0.661 -4.078 -0.719) 4.193 21.214 ( 0.661 -4.078 -0.719) 4.193 22.240 ( -1.073 4.123 2.204) 4.797 22.240 ( 1.073 4.123 2.204) 4.797 22.421 ( -1.401 -2.801 -1.588) 3.511 22.421 ( 1.401 -2.801 -1.588) 3.511 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 -13.399 7.810) 15.509 1.885 ( 0.000 13.399 7.810) 15.509 2.005 ( 0.000 -16.717 17.705) 24.350 2.005 ( 0.000 16.717 17.705) 24.350 2.314 ( 0.000 -8.973 -8.453) 12.328 2.314 ( 0.000 8.973 -8.453) 12.328 2.379 ( 0.000 -11.793 -12.919) 17.493 2.379 ( 0.000 11.793 -12.919) 17.493 2.824 ( 0.000 -2.529 0.219) 2.539 2.824 ( 0.000 2.529 0.219) 2.539 3.202 ( 0.000 -4.685 5.525) 7.244 3.202 ( 0.000 4.685 5.525) 7.244 3.248 ( 0.000 -8.492 3.548) 9.204 3.248 ( 0.000 8.492 3.548) 9.204 3.437 ( 0.000 -7.576 1.367) 7.699 3.437 ( 0.000 7.576 1.367) 7.699 3.520 ( 0.000 -10.229 9.201) 13.759 3.520 ( 0.000 10.229 9.201) 13.759 3.812 ( 0.000 -7.410 -7.528) 10.563 3.812 ( 0.000 7.410 -7.528) 10.563 3.993 ( 0.000 -5.451 -9.279) 10.762 3.993 ( 0.000 5.451 -9.279) 10.762 4.216 ( 0.000 -3.107 -4.882) 5.787 4.216 ( 0.000 3.107 -4.882) 5.787 5.094 ( 0.000 -2.627 9.215) 9.582 5.094 ( 0.000 2.627 9.215) 9.582 5.287 ( 0.000 -0.904 -8.397) 8.445 5.287 ( 0.000 0.904 -8.397) 8.445 5.468 ( 0.000 -4.487 3.243) 5.536 5.468 ( 0.000 4.487 3.243) 5.536 5.645 ( 0.000 -6.410 -3.974) 7.541 5.645 ( 0.000 6.410 -3.974) 7.541 5.792 ( 0.000 -2.222 0.408) 2.260 5.792 ( 0.000 2.222 0.408) 2.260 5.923 ( 0.000 -4.897 -1.113) 5.021 5.923 ( 0.000 4.897 -1.113) 5.021 6.435 ( 0.000 -4.621 5.055) 6.849 6.435 ( 0.000 4.621 5.055) 6.849 6.510 ( 0.000 -4.565 -0.843) 4.643 6.510 ( 0.000 4.565 -0.843) 4.643 7.601 ( 0.000 -1.117 0.397) 1.186 7.601 ( 0.000 1.117 0.397) 1.186 7.917 ( 0.000 -2.159 -0.611) 2.244 7.917 ( 0.000 2.159 -0.611) 2.244 8.153 ( 0.000 -1.011 0.805) 1.293 8.153 ( 0.000 1.011 0.805) 1.293 8.409 ( 0.000 -1.502 -0.084) 1.504 8.409 ( 0.000 1.502 -0.084) 1.504 8.905 ( 0.000 -6.387 5.179) 8.223 8.905 ( 0.000 6.387 5.179) 8.223 9.038 ( 0.000 -3.819 -6.482) 7.523 9.038 ( 0.000 3.819 -6.482) 7.523 9.716 ( 0.000 -0.637 1.074) 1.249 9.716 ( 0.000 0.637 1.074) 1.249 9.777 ( 0.000 -0.654 -0.195) 0.682 9.777 ( 0.000 0.654 -0.195) 0.682 10.135 ( 0.000 -0.728 -0.808) 1.087 10.135 ( 0.000 0.728 -0.808) 1.087 10.337 ( 0.000 -0.749 -0.805) 1.100 10.337 ( 0.000 0.749 -0.805) 1.100 11.167 ( 0.000 -4.234 0.751) 4.300 11.167 ( 0.000 4.234 0.751) 4.300 11.261 ( 0.000 -5.466 -1.750) 5.740 11.261 ( 0.000 5.466 -1.750) 5.740 12.623 ( 0.000 -2.621 6.279) 6.804 12.623 ( 0.000 2.621 6.279) 6.804 12.946 ( 0.000 -1.712 -0.925) 1.946 12.946 ( 0.000 1.712 -0.925) 1.946 13.595 ( 0.000 -3.276 1.875) 3.775 13.595 ( 0.000 3.276 1.875) 3.775 14.034 ( 0.000 -0.906 -5.098) 5.177 14.034 ( 0.000 0.906 -5.098) 5.177 14.959 ( 0.000 -6.244 9.000) 10.954 14.959 ( 0.000 6.244 9.000) 10.954 15.140 ( 0.000 -5.272 -5.782) 7.824 15.140 ( 0.000 5.272 -5.782) 7.824 15.382 ( 0.000 -1.258 -0.260) 1.284 15.382 ( 0.000 1.258 -0.260) 1.284 16.176 ( 0.000 -1.014 -1.724) 2.000 16.176 ( 0.000 1.014 -1.724) 2.000 16.618 ( 0.000 -3.414 1.485) 3.723 16.618 ( 0.000 3.414 1.485) 3.723 16.906 ( 0.000 -3.063 -1.126) 3.263 16.906 ( 0.000 3.063 -1.126) 3.263 17.590 ( 0.000 -0.359 0.206) 0.414 17.590 ( 0.000 0.359 0.206) 0.414 17.839 ( 0.000 -0.526 -0.143) 0.545 17.839 ( 0.000 0.526 -0.143) 0.545 18.532 ( 0.000 -2.352 2.149) 3.186 18.532 ( 0.000 2.352 2.149) 3.186 18.899 ( 0.000 -1.247 -2.102) 2.445 18.899 ( 0.000 1.247 -2.102) 2.445 19.405 ( 0.000 -1.319 0.574) 1.438 19.405 ( 0.000 1.319 0.574) 1.438 19.523 ( 0.000 -0.538 -0.112) 0.549 19.523 ( 0.000 0.538 -0.112) 0.549 20.269 ( 0.000 -8.268 7.116) 10.908 20.269 ( 0.000 8.268 7.116) 10.908 20.536 ( 0.000 -6.966 -8.398) 10.911 20.536 ( 0.000 6.966 -8.398) 10.911 21.254 ( 0.000 -4.721 1.932) 5.101 21.254 ( 0.000 4.721 1.932) 5.101 21.349 ( 0.000 -2.337 -4.773) 5.315 21.349 ( 0.000 2.337 -4.773) 5.315 22.121 ( 0.000 -0.505 1.588) 1.667 22.121 ( 0.000 0.505 1.588) 1.667 22.661 ( 0.000 -1.534 0.353) 1.574 22.661 ( 0.000 1.534 0.353) 1.574 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 5.613 -14.702 8.569) 17.919 1.951 ( 5.613 14.702 8.569) 17.919 2.036 ( 2.836 -13.865 16.741) 21.921 2.036 ( 2.836 13.865 16.741) 21.921 2.286 ( -1.474 -11.462 -8.430) 14.304 2.286 ( -1.474 11.462 -8.430) 14.304 2.418 ( 3.947 -10.906 -13.560) 17.843 2.418 ( 3.947 10.906 -13.560) 17.843 2.845 ( 1.158 -1.322 0.192) 1.769 2.845 ( 1.158 1.322 0.192) 1.769 3.164 ( -2.379 -5.351 5.670) 8.151 3.164 ( -2.379 5.351 5.670) 8.151 3.258 ( -0.021 -4.122 -0.497) 4.152 3.258 ( -0.021 4.122 -0.497) 4.152 3.458 ( 0.627 -2.638 -1.251) 2.986 3.458 ( 0.627 2.638 -1.251) 2.986 3.554 ( 4.153 -13.340 13.266) 19.266 3.554 ( 4.153 13.340 13.266) 19.266 3.812 ( -0.798 -4.646 -5.350) 7.131 3.812 ( -0.798 4.646 -5.350) 7.131 3.979 ( -0.213 -6.316 -6.215) 8.864 3.979 ( -0.213 6.316 -6.215) 8.864 4.250 ( 3.851 -4.934 -7.579) 9.829 4.250 ( 3.851 4.934 -7.579) 9.829 5.060 ( -4.023 -4.100 7.453) 9.410 5.060 ( -4.023 4.100 7.453) 9.410 5.240 ( -2.874 -2.539 -5.550) 6.746 5.240 ( -2.874 2.539 -5.550) 6.746 5.537 ( 5.169 -4.085 1.955) 6.873 5.537 ( 5.169 4.085 1.955) 6.873 5.648 ( 0.710 -5.006 -3.427) 6.108 5.648 ( 0.710 5.006 -3.427) 6.108 5.853 ( 5.308 -3.152 1.664) 6.394 5.853 ( 5.308 3.152 1.664) 6.394 5.952 ( 2.941 -5.174 -2.086) 6.306 5.952 ( 2.941 5.174 -2.086) 6.306 6.419 ( -2.449 -4.499 3.867) 6.418 6.419 ( -2.449 4.499 3.867) 6.418 6.470 ( -2.838 -4.076 -0.352) 4.979 6.470 ( -2.838 4.076 -0.352) 4.979 7.600 ( 0.016 -1.700 0.726) 1.849 7.600 ( 0.016 1.700 0.726) 1.849 7.894 ( -2.096 -2.164 -0.854) 3.131 7.894 ( -2.096 2.164 -0.854) 3.131 8.159 ( 0.335 -1.142 0.832) 1.452 8.159 ( 0.335 1.142 0.832) 1.452 8.391 ( -1.834 -1.942 -0.050) 2.672 8.391 ( -1.834 1.942 -0.050) 2.672 8.866 ( -3.765 -7.267 4.509) 9.344 8.866 ( -3.765 7.267 4.509) 9.344 8.982 ( -5.105 -5.657 -5.268) 9.263 8.982 ( -5.105 5.657 -5.268) 9.263 9.715 ( 1.000 -2.651 3.845) 4.776 9.715 ( 1.000 2.651 3.845) 4.776 9.819 ( 2.535 -1.848 -3.743) 4.884 9.819 ( 2.535 1.848 -3.743) 4.884 10.168 ( 3.534 -1.075 -1.064) 3.844 10.168 ( 3.534 1.075 -1.064) 3.844 10.371 ( 3.090 -1.045 -0.323) 3.278 10.371 ( 3.090 1.045 -0.323) 3.278 11.238 ( 6.900 -2.795 0.894) 7.498 11.238 ( 6.900 2.795 0.894) 7.498 11.336 ( 7.091 -3.939 -2.119) 8.384 11.336 ( 7.091 3.939 -2.119) 8.384 12.620 ( -0.235 -2.364 6.395) 6.822 12.620 ( -0.235 2.364 6.395) 6.822 12.941 ( -0.533 -1.658 -1.198) 2.114 12.941 ( -0.533 1.658 -1.198) 2.114 13.643 ( 4.574 -3.768 2.407) 6.396 13.643 ( 4.574 3.768 2.407) 6.396 13.949 ( -7.893 -0.942 -4.944) 9.361 13.949 ( -7.893 0.942 -4.944) 9.361 14.885 ( -5.934 -3.065 5.628) 8.734 14.885 ( -5.934 3.065 5.628) 8.734 15.095 ( -3.302 -2.537 -3.744) 5.599 15.095 ( -3.302 2.537 -3.744) 5.599 15.444 ( 3.793 -0.875 1.377) 4.129 15.444 ( 3.793 0.875 1.377) 4.129 16.112 ( -6.746 -1.645 -2.434) 7.358 16.112 ( -6.746 1.645 -2.434) 7.358 16.617 ( 0.549 -2.579 0.929) 2.796 16.617 ( 0.549 2.579 0.929) 2.796 16.953 ( 4.229 -2.259 -0.365) 4.809 16.953 ( 4.229 2.259 -0.365) 4.809 17.634 ( 4.135 -1.238 0.538) 4.350 17.634 ( 4.135 1.238 0.538) 4.350 17.877 ( 3.559 -1.440 -0.964) 3.959 17.877 ( 3.559 1.440 -0.964) 3.959 18.541 ( 0.909 -2.348 1.622) 2.995 18.541 ( 0.909 2.348 1.622) 2.995 18.894 ( -0.937 -1.363 -1.473) 2.215 18.894 ( -0.937 1.363 -1.473) 2.215 19.378 ( -1.859 -1.470 0.626) 2.451 19.378 ( -1.859 1.470 0.626) 2.451 19.500 ( -2.068 -0.974 -0.199) 2.294 19.500 ( -2.068 0.974 -0.199) 2.294 20.290 ( 1.692 -6.876 6.027) 9.299 20.290 ( 1.692 6.876 6.027) 9.299 20.545 ( 0.776 -5.766 -6.965) 9.075 20.545 ( 0.776 5.766 -6.965) 9.075 21.245 ( -1.086 -4.540 2.243) 5.179 21.245 ( -1.086 4.540 2.243) 5.179 21.334 ( -1.474 -2.820 -4.882) 5.827 21.334 ( -1.474 2.820 -4.882) 5.827 22.115 ( -0.419 -0.400 1.685) 1.782 22.115 ( -0.419 0.400 1.685) 1.782 22.649 ( -1.263 -1.663 -0.056) 2.089 22.649 ( -1.263 1.663 -0.056) 2.089 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 1.883 -13.419 9.591) 16.601 2.027 ( 1.883 13.419 9.591) 16.601 2.128 ( 6.455 -9.763 8.527) 14.481 2.128 ( 6.455 9.763 8.527) 14.481 2.309 ( 3.920 -7.536 -4.377) 9.556 2.309 ( 3.920 7.536 -4.377) 9.556 2.525 ( 6.697 -7.085 -11.622) 15.169 2.525 ( 6.697 7.085 -11.622) 15.169 2.834 ( -2.546 -0.832 -0.575) 2.740 2.834 ( -2.546 0.832 -0.575) 2.740 3.122 ( -2.244 -3.886 4.553) 6.392 3.122 ( -2.244 3.886 4.553) 6.392 3.227 ( -3.363 -2.811 -3.319) 5.498 3.227 ( -3.363 2.811 -3.319) 5.498 3.461 ( 0.038 -2.294 -1.252) 2.614 3.461 ( 0.038 2.294 -1.252) 2.614 3.643 ( 3.436 -6.705 7.877) 10.900 3.643 ( 3.436 6.705 7.877) 10.900 3.767 ( -2.922 -0.599 -0.662) 3.055 3.767 ( -2.922 0.599 -0.662) 3.055 4.039 ( 6.800 -8.484 0.400) 10.880 4.039 ( 6.800 8.484 0.400) 10.880 4.367 ( 7.755 -5.653 -8.870) 13.068 4.367 ( 7.755 5.653 -8.870) 13.068 4.960 ( -5.030 -3.535 3.370) 7.010 4.960 ( -5.030 3.535 3.370) 7.010 5.188 ( -3.097 -2.767 -1.858) 4.549 5.188 ( -3.097 2.767 -1.858) 4.549 5.604 ( 1.067 -4.370 3.267) 5.560 5.604 ( 1.067 4.370 3.267) 5.560 5.673 ( 0.977 -4.897 -3.661) 6.192 5.673 ( 0.977 4.897 -3.661) 6.192 5.977 ( 7.103 -4.370 1.794) 8.531 5.977 ( 7.103 4.370 1.794) 8.531 6.029 ( 4.507 -4.676 -1.663) 6.704 6.029 ( 4.507 4.676 -1.663) 6.704 6.338 ( -4.064 -1.883 0.503) 4.507 6.338 ( -4.064 1.883 0.503) 4.507 6.437 ( -1.147 -1.372 1.252) 2.183 6.437 ( -1.147 1.372 1.252) 2.183 7.609 ( 0.995 -2.422 1.389) 2.964 7.609 ( 0.995 2.422 1.389) 2.964 7.847 ( -2.474 -2.286 -1.277) 3.602 7.847 ( -2.474 2.286 -1.277) 3.602 8.155 ( -0.916 -1.700 1.106) 2.226 8.155 ( -0.916 1.700 1.106) 2.226 8.330 ( -4.710 -2.415 -0.344) 5.304 8.330 ( -4.710 2.415 -0.344) 5.304 8.777 ( -4.733 -6.630 3.829) 9.001 8.777 ( -4.733 6.630 3.829) 9.001 8.876 ( -4.880 -5.862 -4.134) 8.676 8.876 ( -4.880 5.862 -4.134) 8.676 9.751 ( 2.030 -2.731 4.693) 5.797 9.751 ( 2.030 2.731 4.693) 5.797 9.853 ( 1.201 -2.297 -4.887) 5.532 9.853 ( 1.201 2.297 -4.887) 5.532 10.266 ( 5.950 -1.343 -0.562) 6.126 10.266 ( 5.950 1.343 -0.562) 6.126 10.442 ( 3.942 -0.890 -0.857) 4.131 10.442 ( 3.942 0.890 -0.857) 4.131 11.405 ( 9.262 -1.155 1.728) 9.492 11.405 ( 9.262 1.155 1.728) 9.492 11.499 ( 8.640 -2.159 -3.244) 9.478 11.499 ( 8.640 2.159 -3.244) 9.478 12.619 ( 0.323 -1.813 6.373) 6.633 12.619 ( 0.323 1.813 6.373) 6.633 12.925 ( -1.207 -1.903 -1.807) 2.889 12.925 ( -1.207 1.903 -1.807) 2.889 13.716 ( -2.150 -7.322 3.500) 8.396 13.716 ( -2.150 7.322 3.500) 8.396 13.816 ( 0.045 -6.345 -4.628) 7.854 13.816 ( 0.045 6.345 -4.628) 7.854 14.785 ( -3.725 -1.534 2.042) 4.517 14.785 ( -3.725 1.534 2.042) 4.517 15.023 ( -4.087 -1.024 -1.767) 4.569 15.023 ( -4.087 1.024 -1.767) 4.569 15.483 ( 0.172 -1.134 3.957) 4.120 15.483 ( 0.172 1.134 3.957) 4.120 15.930 ( -11.055 -2.475 -4.464) 12.177 15.930 ( -11.055 2.475 -4.464) 12.177 16.659 ( 3.723 -1.326 0.827) 4.038 16.659 ( 3.723 1.326 0.827) 4.038 17.039 ( 3.841 -1.992 0.506) 4.356 17.039 ( 3.841 1.992 0.506) 4.356 17.730 ( 5.307 -2.175 0.815) 5.793 17.730 ( 5.307 2.175 0.815) 5.793 17.955 ( 3.835 -2.789 -2.245) 5.247 17.955 ( 3.835 2.789 -2.245) 5.247 18.570 ( 2.211 -2.348 0.837) 3.332 18.570 ( 2.211 2.348 0.837) 3.332 18.849 ( -3.474 -1.506 -0.431) 3.811 18.849 ( -3.474 1.506 -0.431) 3.811 19.369 ( 1.104 -2.202 0.893) 2.620 19.369 ( 1.104 2.202 0.893) 2.620 19.460 ( -1.636 -1.677 -0.521) 2.400 19.460 ( -1.636 1.677 -0.521) 2.400 20.315 ( 0.707 -5.191 3.725) 6.428 20.315 ( 0.707 5.191 3.725) 6.428 20.558 ( 0.372 -4.673 -4.094) 6.224 20.558 ( 0.372 4.673 -4.094) 6.224 21.211 ( -2.336 -4.303 2.110) 5.331 21.211 ( -2.336 4.303 2.110) 5.331 21.292 ( -2.790 -3.650 -4.275) 6.276 21.292 ( -2.790 3.650 -4.275) 6.276 22.119 ( 1.131 -0.757 1.743) 2.211 22.119 ( 1.131 0.757 1.743) 2.211 22.609 ( -2.880 -1.639 -0.714) 3.390 22.609 ( -2.880 1.639 -0.714) 3.390 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.285 -5.779 4.434) 8.999 2.089 ( 5.285 5.779 4.434) 8.999 2.236 ( 4.065 -5.812 3.019) 7.708 2.236 ( 4.065 5.812 3.019) 7.708 2.412 ( 5.919 -2.895 1.871) 6.850 2.412 ( 5.919 2.895 1.871) 6.850 2.633 ( 1.319 -1.952 -6.315) 6.741 2.633 ( 1.319 1.952 -6.315) 6.741 2.781 ( -0.049 -1.708 -3.647) 4.027 2.781 ( -0.049 1.708 -3.647) 4.027 3.066 ( -3.952 -3.340 2.143) 5.600 3.066 ( -3.952 3.340 2.143) 5.600 3.150 ( -3.007 -2.294 -2.247) 4.399 3.150 ( -3.007 2.294 -2.247) 4.399 3.436 ( -3.093 -2.410 -1.548) 4.216 3.436 ( -3.093 2.410 -1.548) 4.216 3.662 ( -0.755 -3.479 3.504) 4.995 3.662 ( -0.755 3.479 3.504) 4.995 3.741 ( -0.107 -1.744 -0.120) 1.751 3.741 ( -0.107 1.744 -0.120) 1.751 4.215 ( 10.067 -7.899 5.165) 13.799 4.215 ( 10.066 7.899 5.165) 13.799 4.519 ( 6.772 -4.380 -5.981) 10.040 4.519 ( 6.772 4.380 -5.981) 10.040 4.893 ( -1.526 -2.642 1.202) 3.279 4.893 ( -1.526 2.642 1.202) 3.279 5.115 ( -4.110 -3.355 -1.270) 5.455 5.115 ( -4.110 3.355 -1.270) 5.455 5.598 ( -1.085 -2.957 3.014) 4.360 5.598 ( -1.085 2.957 3.014) 4.360 5.656 ( -2.179 -5.285 -2.315) 6.167 5.656 ( -2.179 5.285 -2.315) 6.167 6.083 ( 2.675 -4.016 1.426) 5.032 6.083 ( 2.675 4.016 1.426) 5.032 6.118 ( 4.042 -4.409 -1.615) 6.195 6.118 ( 4.042 4.409 -1.615) 6.195 6.314 ( 2.068 -1.184 0.108) 2.385 6.314 ( 2.068 1.184 0.108) 2.385 6.425 ( 0.247 -1.495 0.730) 1.682 6.425 ( 0.247 1.495 0.730) 1.682 7.641 ( 2.227 -2.947 1.788) 4.104 7.641 ( 2.227 2.947 1.788) 4.104 7.804 ( -1.928 -2.476 -1.505) 3.480 7.804 ( -1.928 2.476 -1.505) 3.480 8.117 ( -3.107 -2.721 2.018) 4.597 8.117 ( -3.107 2.721 2.018) 4.597 8.209 ( -7.236 -3.435 -1.123) 8.088 8.209 ( -7.236 3.435 -1.123) 8.088 8.706 ( -2.244 -5.544 3.030) 6.705 8.706 ( -2.244 5.544 3.030) 6.705 8.809 ( -2.164 -4.282 -3.513) 5.946 8.809 ( -2.164 4.282 -3.513) 5.946 9.780 ( 1.118 -1.922 2.616) 3.433 9.780 ( 1.118 1.922 2.616) 3.433 9.870 ( 0.421 -1.929 -2.696) 3.342 9.870 ( 0.421 1.929 -2.696) 3.342 10.377 ( 5.131 -1.562 1.660) 5.614 10.377 ( 5.131 1.562 1.660) 5.614 10.519 ( 3.867 -0.713 -2.961) 4.922 10.519 ( 3.867 0.713 -2.961) 4.922 11.564 ( 6.446 -1.697 2.741) 7.207 11.564 ( 6.446 1.697 2.741) 7.207 11.644 ( 5.859 -1.922 -4.139) 7.427 11.644 ( 5.859 1.922 -4.139) 7.427 12.637 ( 1.502 -1.298 5.624) 5.964 12.637 ( 1.502 1.298 5.624) 5.964 12.890 ( -2.520 -2.517 -2.185) 4.179 12.890 ( -2.520 2.517 -2.185) 4.179 13.637 ( -1.602 -2.605 -0.246) 3.068 13.637 ( -1.602 2.605 -0.246) 3.068 13.892 ( 3.321 -3.464 0.221) 4.804 13.892 ( 3.321 3.464 0.221) 4.804 14.744 ( -0.534 -1.241 0.769) 1.554 14.744 ( -0.534 1.241 0.769) 1.554 14.947 ( -3.423 -0.904 -1.247) 3.753 14.947 ( -3.423 0.904 -1.247) 3.753 15.460 ( -2.220 -2.091 6.111) 6.830 15.460 ( -2.220 2.091 6.111) 6.830 15.717 ( -10.039 -2.865 -6.443) 12.267 15.717 ( -10.039 2.865 -6.443) 12.267 16.750 ( 5.318 -1.136 1.457) 5.629 16.750 ( 5.318 1.136 1.457) 5.629 17.083 ( 0.544 -2.750 -0.005) 2.803 17.083 ( 0.544 2.750 -0.005) 2.803 17.829 ( 4.685 -2.432 0.969) 5.367 17.829 ( 4.685 2.432 0.969) 5.367 18.010 ( 1.563 -3.836 -2.712) 4.951 18.010 ( 1.563 3.836 -2.712) 4.951 18.627 ( 3.557 -1.956 0.537) 4.094 18.627 ( 3.557 1.956 0.537) 4.094 18.784 ( -2.581 -1.650 0.087) 3.065 18.784 ( -2.581 1.650 0.087) 3.065 19.396 ( 0.895 -3.177 2.475) 4.126 19.396 ( 0.895 3.177 2.475) 4.126 19.449 ( 0.545 -2.665 -2.184) 3.489 19.449 ( 0.545 2.665 -2.184) 3.489 20.322 ( 0.423 -4.857 1.871) 5.222 20.322 ( 0.423 4.857 1.871) 5.222 20.549 ( -1.529 -4.510 -1.937) 5.141 20.549 ( -1.529 4.510 -1.937) 5.141 21.160 ( -2.531 -3.264 0.781) 4.203 21.160 ( -2.531 3.264 0.781) 4.203 21.234 ( -2.986 -2.640 -2.519) 4.714 21.234 ( -2.986 2.640 -2.519) 4.714 22.161 ( 3.120 -0.986 1.778) 3.724 22.161 ( 3.120 0.986 1.778) 3.724 22.539 ( -4.302 -1.464 -1.118) 4.679 22.539 ( -4.302 1.464 -1.118) 4.679 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.216 -1.828 2.444) 6.924 2.216 ( 6.216 1.828 2.444) 6.924 2.300 ( 3.469 -2.050 0.103) 4.031 2.300 ( 3.469 2.050 0.103) 4.031 2.502 ( 2.062 -2.027 1.632) 3.320 2.502 ( 2.062 2.027 1.632) 3.320 2.572 ( -3.575 -2.496 -4.012) 5.925 2.572 ( -3.575 2.496 -4.012) 5.925 2.827 ( 1.548 -1.823 -1.782) 2.982 2.827 ( 1.548 1.823 -1.782) 2.982 2.956 ( -6.436 -1.874 0.258) 6.708 2.956 ( -6.436 1.874 0.258) 6.708 3.173 ( 5.293 -1.689 -0.314) 5.565 3.173 ( 5.293 1.689 -0.314) 5.565 3.369 ( -3.062 -2.310 -0.947) 3.951 3.369 ( -3.062 2.310 -0.947) 3.951 3.639 ( -1.187 -4.380 1.775) 4.873 3.639 ( -1.187 4.380 1.775) 4.873 3.720 ( -2.546 -2.077 -0.960) 3.423 3.720 ( -2.546 2.077 -0.960) 3.423 4.391 ( 7.377 -4.240 5.607) 10.190 4.391 ( 7.377 4.240 5.607) 10.190 4.596 ( 0.905 -2.579 -2.435) 3.660 4.596 ( 0.905 2.579 -2.435) 3.661 4.903 ( 2.197 -3.623 0.057) 4.237 4.903 ( 2.197 3.623 0.057) 4.237 5.042 ( -3.136 -2.991 -1.785) 4.686 5.042 ( -3.136 2.991 -1.785) 4.686 5.579 ( -0.415 -0.591 2.173) 2.290 5.579 ( -0.415 0.591 2.173) 2.290 5.617 ( -1.629 -3.960 -1.293) 4.472 5.617 ( -1.629 3.960 -1.293) 4.472 6.105 ( 0.252 -3.934 1.418) 4.189 6.105 ( 0.252 3.934 1.418) 4.189 6.152 ( -0.009 -4.178 -2.923) 5.099 6.152 ( -0.009 4.178 -2.923) 5.099 6.389 ( 4.222 -1.483 0.808) 4.547 6.389 ( 4.222 1.483 0.808) 4.547 6.445 ( 1.207 -2.061 0.639) 2.472 6.445 ( 1.207 2.061 0.639) 2.472 7.690 ( 2.568 -3.545 1.625) 4.669 7.690 ( 2.568 3.545 1.625) 4.669 7.771 ( -1.500 -3.106 -1.267) 3.674 7.771 ( -1.500 3.106 -1.267) 3.674 8.042 ( -3.816 -3.264 2.659) 5.682 8.042 ( -3.816 3.264 2.659) 5.682 8.084 ( -4.881 -3.666 -1.188) 6.219 8.084 ( -4.881 3.666 -1.188) 6.219 8.692 ( 0.637 -4.022 1.660) 4.398 8.692 ( 0.637 4.022 1.660) 4.398 8.777 ( -1.434 -2.980 -2.802) 4.334 8.777 ( -1.434 2.980 -2.802) 4.334 9.803 ( 1.363 -1.255 1.040) 2.125 9.803 ( 1.363 1.255 1.040) 2.125 9.864 ( -1.039 -1.351 -1.082) 2.018 9.864 ( -1.039 1.351 -1.082) 2.018 10.457 ( 2.957 -1.222 4.061) 5.170 10.457 ( 2.957 1.222 4.061) 5.170 10.582 ( 2.341 -0.525 -5.123) 5.657 10.582 ( 2.341 0.525 -5.123) 5.657 11.651 ( 2.682 -1.348 2.890) 4.167 11.651 ( 2.682 1.348 2.890) 4.167 11.721 ( 2.238 -1.306 -3.893) 4.676 11.721 ( 2.238 1.306 -3.893) 4.676 12.675 ( 2.266 -1.029 4.597) 5.227 12.675 ( 2.266 1.029 4.597) 5.227 12.830 ( -3.227 -2.216 -2.172) 4.477 12.830 ( -3.227 2.216 -2.172) 4.477 13.678 ( 5.169 -2.516 -0.285) 5.756 13.678 ( 5.169 2.516 -0.285) 5.756 13.899 ( -2.718 -2.708 0.501) 3.869 13.899 ( -2.718 2.708 0.501) 3.869 14.761 ( 2.058 -0.664 1.284) 2.515 14.761 ( 2.058 0.664 1.284) 2.515 14.893 ( -2.355 -0.741 -1.462) 2.870 14.893 ( -2.355 0.741 -1.462) 2.870 15.416 ( -1.712 -2.237 5.778) 6.429 15.416 ( -1.712 2.237 5.778) 6.429 15.557 ( -6.186 -2.541 -6.158) 9.091 15.557 ( -6.186 2.541 -6.158) 9.091 16.854 ( 5.027 -1.294 2.696) 5.849 16.854 ( 5.027 1.294 2.696) 5.849 17.063 ( -2.345 -2.484 -1.692) 3.812 17.063 ( -2.345 2.484 -1.692) 3.812 17.910 ( 3.673 -3.123 0.544) 4.852 17.910 ( 3.673 3.123 0.544) 4.852 18.014 ( -0.988 -4.387 -2.084) 4.956 18.014 ( -0.988 4.387 -2.084) 4.956 18.696 ( 3.064 -2.534 0.955) 4.089 18.696 ( 3.064 2.534 0.955) 4.089 18.758 ( -0.299 -3.021 0.084) 3.037 18.758 ( -0.299 3.021 0.084) 3.037 19.408 ( 0.705 -2.325 1.834) 3.044 19.408 ( 0.705 2.325 1.834) 3.044 19.456 ( -0.315 -1.831 -2.023) 2.747 19.456 ( -0.315 1.831 -2.023) 2.747 20.347 ( 2.316 -4.700 0.817) 5.303 20.347 ( 2.316 4.700 0.817) 5.303 20.495 ( -3.823 -4.495 -0.827) 5.958 20.495 ( -3.823 4.495 -0.827) 5.958 21.127 ( -0.597 -1.875 -0.220) 1.980 21.127 ( -0.597 1.875 -0.220) 1.980 21.180 ( -2.476 -1.168 -1.214) 2.995 21.180 ( -2.476 1.168 -1.214) 2.995 22.234 ( 4.086 -0.916 2.214) 4.737 22.234 ( 4.086 0.916 2.214) 4.737 22.448 ( -4.782 -1.234 -1.639) 5.204 22.448 ( -4.782 1.234 -1.639) 5.204 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 -0.000 3.774) 3.774 2.272 ( 0.000 0.000 3.774) 3.774 2.360 ( 0.000 -0.000 -3.063) 3.063 2.360 ( 0.000 0.000 -3.063) 3.063 2.518 ( -0.000 -0.000 -1.897) 1.897 2.518 ( 0.000 -0.000 -1.897) 1.897 2.530 ( -0.000 -0.000 -1.807) 1.807 2.530 ( 0.000 0.000 -1.807) 1.807 2.842 ( -0.000 -0.000 1.622) 1.622 2.842 ( 0.000 0.000 1.622) 1.622 2.872 ( 0.000 -0.000 -0.667) 0.667 2.872 ( 0.000 0.000 -0.667) 0.667 3.272 ( 0.000 -0.000 2.449) 2.449 3.272 ( 0.000 0.000 2.449) 2.449 3.318 ( -0.000 -0.000 -1.871) 1.871 3.318 ( 0.000 0.000 -1.871) 1.871 3.633 ( -0.000 0.000 1.233) 1.233 3.633 ( 0.000 0.000 1.233) 1.233 3.672 ( 0.000 -0.000 -2.232) 2.232 3.672 ( 0.000 -0.000 -2.232) 2.232 4.477 ( 0.000 -0.000 6.614) 6.614 4.477 ( 0.000 0.000 6.614) 6.614 4.586 ( -0.000 0.000 -2.968) 2.968 4.586 ( 0.000 0.000 -2.968) 2.968 4.942 ( 0.000 -0.000 1.787) 1.787 4.942 ( 0.000 0.000 1.787) 1.787 5.001 ( 0.000 -0.000 -3.293) 3.293 5.001 ( -0.000 0.000 -3.293) 3.293 5.582 ( 0.000 -0.000 1.067) 1.067 5.582 ( 0.000 0.000 1.067) 1.067 5.596 ( -0.000 -0.000 -0.241) 0.241 5.596 ( 0.000 0.000 -0.241) 0.241 6.107 ( 0.000 -0.000 1.039) 1.039 6.107 ( 0.000 0.000 1.039) 1.039 6.147 ( 0.000 0.000 -3.081) 3.081 6.147 ( 0.000 0.000 -3.081) 3.081 6.443 ( 0.000 -0.000 1.168) 1.168 6.443 ( 0.000 0.000 1.168) 1.168 6.450 ( 0.000 -0.000 0.457) 0.457 6.450 ( 0.000 0.000 0.457) 0.457 7.725 ( -0.000 -0.000 1.233) 1.233 7.725 ( 0.000 -0.000 1.233) 1.233 7.748 ( 0.000 0.000 -0.729) 0.729 7.748 ( 0.000 0.000 -0.729) 0.729 8.004 ( 0.000 -0.000 2.104) 2.104 8.004 ( -0.000 0.000 2.104) 2.104 8.031 ( 0.000 -0.000 -0.440) 0.440 8.031 ( 0.000 0.000 -0.440) 0.440 8.708 ( 0.000 0.000 1.527) 1.527 8.708 ( 0.000 0.000 1.527) 1.527 8.756 ( 0.000 -0.000 -3.000) 3.000 8.756 ( 0.000 0.000 -3.000) 3.000 9.829 ( 0.000 -0.000 0.530) 0.530 9.829 ( 0.000 0.000 0.530) 0.530 9.841 ( 0.000 -0.000 -0.540) 0.540 9.841 ( -0.000 0.000 -0.540) 0.540 10.487 ( 0.000 0.000 5.056) 5.056 10.487 ( 0.000 0.000 5.056) 5.056 10.605 ( 0.000 -0.000 -6.037) 6.037 10.605 ( 0.000 0.000 -6.037) 6.037 11.676 ( 0.000 -0.000 2.777) 2.777 11.676 ( 0.000 0.000 2.777) 2.777 11.741 ( 0.000 -0.000 -3.583) 3.583 11.741 ( 0.000 0.000 -3.583) 3.583 12.707 ( -0.000 0.000 4.938) 4.938 12.707 ( 0.000 0.000 4.938) 4.938 12.788 ( 0.000 -0.000 -2.893) 2.893 12.788 ( 0.000 0.000 -2.893) 2.893 13.795 ( -0.000 -0.000 0.690) 0.690 13.795 ( -0.000 0.000 0.690) 0.690 13.808 ( 0.000 -0.000 -0.579) 0.579 13.808 ( 0.000 0.000 -0.579) 0.579 14.798 ( 0.000 0.000 2.905) 2.905 14.798 ( 0.000 0.000 2.905) 2.905 14.857 ( -0.000 0.000 -2.487) 2.487 14.857 ( 0.000 0.000 -2.487) 2.487 15.403 ( 0.000 0.000 3.766) 3.766 15.403 ( 0.000 0.000 3.766) 3.766 15.491 ( 0.000 0.000 -4.441) 4.441 15.491 ( 0.000 0.000 -4.441) 4.441 16.918 ( -0.000 -0.000 5.313) 5.313 16.918 ( 0.000 0.000 5.313) 5.313 17.023 ( 0.000 0.000 -4.542) 4.542 17.023 ( 0.000 0.000 -4.542) 4.542 17.963 ( 0.000 -0.000 0.363) 0.363 17.963 ( 0.000 0.000 0.363) 0.363 17.986 ( 0.000 -0.000 -1.837) 1.837 17.986 ( 0.000 0.000 -1.837) 1.837 18.729 ( 0.000 -0.000 2.085) 2.085 18.729 ( 0.000 0.000 2.085) 2.085 18.758 ( 0.000 -0.000 -0.671) 0.671 18.758 ( 0.000 0.000 -0.671) 0.671 19.422 ( 0.000 -0.000 0.667) 0.667 19.422 ( 0.000 0.000 0.667) 0.667 19.443 ( -0.000 -0.000 -1.262) 1.262 19.443 ( 0.000 0.000 -1.262) 1.262 20.404 ( -0.000 0.000 0.800) 0.800 20.404 ( 0.000 0.000 0.800) 0.800 20.422 ( -0.000 -0.000 -0.821) 0.821 20.422 ( 0.000 -0.000 -0.821) 0.821 21.132 ( 0.000 -0.000 -0.061) 0.061 21.132 ( 0.000 0.000 -0.061) 0.061 21.145 ( 0.000 0.000 -1.240) 1.240 21.145 ( 0.000 0.000 -1.240) 1.240 22.294 ( 0.000 -0.000 4.343) 4.343 22.294 ( 0.000 0.000 4.343) 4.343 22.380 ( 0.000 -0.000 -3.770) 3.770 22.380 ( 0.000 0.000 -3.770) 3.770 =================== 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 3/32400 10.0 2524.926 3022.836 2347.558 0.000 0.000 0.000 3/32400 20.0 389.540 359.506 376.424 0.000 0.000 0.000 3/32400 30.0 138.203 120.915 131.360 0.000 0.000 0.000 3/32400 40.0 70.669 60.944 67.015 0.000 0.000 0.000 3/32400 50.0 44.272 38.023 42.028 0.000 0.000 0.000 3/32400 60.0 31.262 26.847 29.733 0.000 0.000 0.000 3/32400 70.0 23.801 20.475 22.677 0.000 0.000 0.000 3/32400 80.0 19.061 16.438 18.186 0.000 0.000 0.000 3/32400 90.0 15.823 13.682 15.112 0.000 0.000 0.000 3/32400 100.0 13.488 11.695 12.892 0.000 0.000 0.000 3/32400 110.0 11.735 10.201 11.221 0.000 0.000 0.000 3/32400 120.0 10.374 9.040 9.923 0.000 0.000 0.000 3/32400 130.0 9.290 8.114 8.889 0.000 0.000 0.000 3/32400 140.0 8.408 7.359 8.046 0.000 0.000 0.000 3/32400 150.0 7.676 6.733 7.347 0.000 0.000 0.000 3/32400 160.0 7.061 6.205 6.759 0.000 0.000 0.000 3/32400 170.0 6.536 5.755 6.257 0.000 0.000 0.000 3/32400 180.0 6.084 5.367 5.825 0.000 0.000 0.000 3/32400 190.0 5.690 5.028 5.449 0.000 0.000 0.000 3/32400 200.0 5.344 4.731 5.119 0.000 0.000 0.000 3/32400 210.0 5.039 4.467 4.826 0.000 0.000 0.000 3/32400 220.0 4.766 4.232 4.566 0.000 0.000 0.000 3/32400 230.0 4.522 4.021 4.333 0.000 0.000 0.000 3/32400 240.0 4.302 3.831 4.122 0.000 0.000 0.000 3/32400 250.0 4.102 3.658 3.932 0.000 0.000 0.000 3/32400 260.0 3.921 3.501 3.759 0.000 0.000 0.000 3/32400 270.0 3.755 3.357 3.600 0.000 0.000 0.000 3/32400 280.0 3.603 3.224 3.455 0.000 0.000 0.000 3/32400 290.0 3.463 3.103 3.321 0.000 0.000 0.000 3/32400 300.0 3.333 2.990 3.197 0.000 0.000 0.000 3/32400 310.0 3.214 2.885 3.083 0.000 0.000 0.000 3/32400 320.0 3.102 2.788 2.976 0.000 0.000 0.000 3/32400 330.0 2.999 2.697 2.877 0.000 0.000 0.000 3/32400 340.0 2.902 2.612 2.785 0.000 0.000 0.000 3/32400 350.0 2.811 2.533 2.698 0.000 0.000 0.000 3/32400 360.0 2.726 2.458 2.617 0.000 0.000 0.000 3/32400 370.0 2.646 2.387 2.540 0.000 0.000 0.000 3/32400 380.0 2.571 2.321 2.468 0.000 0.000 0.000 3/32400 390.0 2.500 2.258 2.400 0.000 0.000 0.000 3/32400 400.0 2.432 2.199 2.336 0.000 0.000 0.000 3/32400 410.0 2.369 2.143 2.275 0.000 0.000 0.000 3/32400 420.0 2.309 2.090 2.217 0.000 0.000 0.000 3/32400 430.0 2.251 2.039 2.163 0.000 0.000 0.000 3/32400 440.0 2.197 1.991 2.111 0.000 0.000 0.000 3/32400 450.0 2.145 1.945 2.061 0.000 0.000 0.000 3/32400 460.0 2.096 1.901 2.014 0.000 0.000 0.000 3/32400 470.0 2.049 1.859 1.969 0.000 0.000 0.000 3/32400 480.0 2.004 1.819 1.925 0.000 0.000 0.000 3/32400 490.0 1.961 1.781 1.884 0.000 0.000 0.000 3/32400 500.0 1.920 1.744 1.845 0.000 0.000 0.000 3/32400 510.0 1.880 1.709 1.807 0.000 0.000 0.000 3/32400 520.0 1.842 1.675 1.771 0.000 0.000 0.000 3/32400 530.0 1.806 1.642 1.736 0.000 0.000 0.000 3/32400 540.0 1.771 1.611 1.703 0.000 0.000 0.000 3/32400 550.0 1.738 1.581 1.670 0.000 0.000 0.000 3/32400 560.0 1.705 1.552 1.639 0.000 0.000 0.000 3/32400 570.0 1.674 1.524 1.610 0.000 0.000 0.000 3/32400 580.0 1.644 1.497 1.581 0.000 0.000 0.000 3/32400 590.0 1.615 1.472 1.553 0.000 0.000 0.000 3/32400 600.0 1.588 1.446 1.526 0.000 0.000 0.000 3/32400 610.0 1.561 1.422 1.501 0.000 0.000 0.000 3/32400 620.0 1.535 1.399 1.476 0.000 0.000 0.000 3/32400 630.0 1.510 1.376 1.452 0.000 0.000 0.000 3/32400 640.0 1.485 1.354 1.428 0.000 0.000 0.000 3/32400 650.0 1.462 1.333 1.406 0.000 0.000 0.000 3/32400 660.0 1.439 1.313 1.384 0.000 0.000 0.000 3/32400 670.0 1.417 1.293 1.363 0.000 0.000 0.000 3/32400 680.0 1.395 1.273 1.342 0.000 0.000 0.000 3/32400 690.0 1.375 1.255 1.322 0.000 0.000 0.000 3/32400 700.0 1.354 1.236 1.303 0.000 0.000 0.000 3/32400 710.0 1.335 1.219 1.284 0.000 0.000 0.000 3/32400 720.0 1.316 1.202 1.266 0.000 0.000 0.000 3/32400 730.0 1.297 1.185 1.248 0.000 0.000 0.000 3/32400 740.0 1.279 1.169 1.231 0.000 0.000 0.000 3/32400 750.0 1.262 1.153 1.214 0.000 0.000 0.000 3/32400 760.0 1.245 1.138 1.198 0.000 0.000 0.000 3/32400 770.0 1.229 1.123 1.182 0.000 0.000 0.000 3/32400 780.0 1.212 1.108 1.166 0.000 0.000 0.000 3/32400 790.0 1.197 1.094 1.151 0.000 0.000 0.000 3/32400 800.0 1.182 1.080 1.137 0.000 0.000 0.000 3/32400 810.0 1.167 1.067 1.122 0.000 0.000 0.000 3/32400 820.0 1.152 1.053 1.108 0.000 0.000 0.000 3/32400 830.0 1.138 1.041 1.095 0.000 0.000 0.000 3/32400 840.0 1.124 1.028 1.082 0.000 0.000 0.000 3/32400 850.0 1.111 1.016 1.069 0.000 0.000 0.000 3/32400 860.0 1.098 1.004 1.056 0.000 0.000 0.000 3/32400 870.0 1.085 0.992 1.044 0.000 0.000 0.000 3/32400 880.0 1.072 0.981 1.032 0.000 0.000 0.000 3/32400 890.0 1.060 0.970 1.020 0.000 0.000 0.000 3/32400 900.0 1.048 0.959 1.008 0.000 0.000 0.000 3/32400 910.0 1.036 0.948 0.997 0.000 0.000 0.000 3/32400 920.0 1.025 0.938 0.986 0.000 0.000 0.000 3/32400 930.0 1.014 0.928 0.975 0.000 0.000 0.000 3/32400 940.0 1.003 0.918 0.965 0.000 0.000 0.000 3/32400 950.0 0.992 0.908 0.955 0.000 0.000 0.000 3/32400 960.0 0.982 0.899 0.945 0.000 0.000 0.000 3/32400 970.0 0.971 0.889 0.935 0.000 0.000 0.000 3/32400 980.0 0.961 0.880 0.925 0.000 0.000 0.000 3/32400 990.0 0.951 0.871 0.916 0.000 0.000 0.000 3/32400 1000.0 0.942 0.862 0.906 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:59:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|