# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ece41f07-fcb3-4351-8a50-0853ea2e0cf0/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for KPb2Cl5 / P2_1/c (14) / materials id 607267](https://mdr.nims.go.jp/datasets/43674d86-b7b9-4f4c-b3a6-b4082f8774d8) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 20:11:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 8.786619960551656 0.000000000000000 0.000000000000000 b 0.000000000000000 7.842064240000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): *1 K 0.49075768000073 0.04947020796042 0.32987931846114 39.098 2 K 0.49075768000073 0.45052979203958 0.82987931846115 39.098 3 K 0.50924231999927 0.54947020796042 0.17012068153886 39.098 4 K 0.50924231999927 0.95052979203958 0.67012068153885 39.098 *5 Pb 0.74728807862772 0.06822315260842 0.00614340129326 207.200 *6 Pb 0.00568858479465 0.51281325474787 0.17634329121102 207.200 7 Pb 0.99431141520535 0.01281325474787 0.32365670878898 207.200 8 Pb 0.00568858479465 0.98718674525213 0.67634329121102 207.200 9 Pb 0.74728807862772 0.43177684739158 0.50614340129326 207.200 10 Pb 0.99431141520535 0.48718674525213 0.82365670878898 207.200 11 Pb 0.25271192137228 0.56822315260842 0.49385659870674 207.200 12 Pb 0.25271192137228 0.93177684739158 0.99385659870674 207.200 *13 Cl 0.76738266866910 0.19065051223606 0.77965522026265 35.453 *14 Cl 0.45963926100481 0.32422498880488 0.58464409909850 35.453 *15 Cl 0.95724836714157 0.66557108664261 0.39995037567933 35.453 *16 Cl 0.22407358927433 0.34143609989586 0.31324043105676 35.453 *17 Cl 0.22197804823102 0.95770387875508 0.49823079092847 35.453 18 Cl 0.77802195176898 0.04229612124493 0.50176920907153 35.453 19 Cl 0.76738266866910 0.30934948776394 0.27965522026265 35.453 20 Cl 0.77592641072567 0.84143609989586 0.18675956894324 35.453 21 Cl 0.22197804823102 0.54229612124492 0.99823079092847 35.453 22 Cl 0.04275163285843 0.33442891335739 0.60004962432067 35.453 23 Cl 0.04275163285843 0.16557108664261 0.10004962432067 35.453 24 Cl 0.45963926100481 0.17577501119512 0.08464409909850 35.453 25 Cl 0.54036073899519 0.67577501119512 0.41535590090150 35.453 26 Cl 0.22407358927433 0.15856390010414 0.81324043105676 35.453 27 Cl 0.23261733133090 0.80934948776394 0.22034477973735 35.453 28 Cl 0.77802195176898 0.45770387875508 0.00176920907153 35.453 29 Cl 0.77592641072567 0.65856390010414 0.68675956894324 35.453 30 Cl 0.23261733133090 0.69065051223606 0.72034477973735 35.453 31 Cl 0.95724836714157 0.83442891335739 0.89995037567933 35.453 32 Cl 0.54036073899519 0.82422498880488 0.91535590090150 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.786619960551656 0.000000000000000 0.000000000000000 b 0.000000000000000 7.842064240000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): *1 K 0.49075768000073 0.04947020796042 0.32987931846114 39.098 > 1 2 K 0.49075768000073 0.45052979203958 0.82987931846115 39.098 > 2 3 K 0.50924231999927 0.54947020796042 0.17012068153886 39.098 > 3 4 K 0.50924231999927 0.95052979203958 0.67012068153885 39.098 > 4 *5 Pb 0.74728807862772 0.06822315260842 0.00614340129326 207.200 > 5 *6 Pb 0.00568858479465 0.51281325474787 0.17634329121102 207.200 > 6 7 Pb 0.99431141520535 0.01281325474787 0.32365670878898 207.200 > 7 8 Pb 0.00568858479465 0.98718674525213 0.67634329121102 207.200 > 8 9 Pb 0.74728807862772 0.43177684739158 0.50614340129326 207.200 > 9 10 Pb 0.99431141520535 0.48718674525213 0.82365670878898 207.200 > 10 11 Pb 0.25271192137228 0.56822315260842 0.49385659870674 207.200 > 11 12 Pb 0.25271192137228 0.93177684739158 0.99385659870674 207.200 > 12 *13 Cl 0.76738266866910 0.19065051223606 0.77965522026265 35.453 > 13 *14 Cl 0.45963926100481 0.32422498880488 0.58464409909850 35.453 > 14 *15 Cl 0.95724836714157 0.66557108664261 0.39995037567933 35.453 > 15 *16 Cl 0.22407358927433 0.34143609989586 0.31324043105676 35.453 > 16 *17 Cl 0.22197804823102 0.95770387875508 0.49823079092847 35.453 > 17 18 Cl 0.77802195176898 0.04229612124493 0.50176920907153 35.453 > 18 19 Cl 0.76738266866910 0.30934948776394 0.27965522026265 35.453 > 19 20 Cl 0.77592641072567 0.84143609989586 0.18675956894324 35.453 > 20 21 Cl 0.22197804823102 0.54229612124492 0.99823079092847 35.453 > 21 22 Cl 0.04275163285843 0.33442891335739 0.60004962432067 35.453 > 22 23 Cl 0.04275163285843 0.16557108664261 0.10004962432067 35.453 > 23 24 Cl 0.45963926100481 0.17577501119512 0.08464409909850 35.453 > 24 25 Cl 0.54036073899519 0.67577501119512 0.41535590090150 35.453 > 25 26 Cl 0.22407358927433 0.15856390010414 0.81324043105676 35.453 > 26 27 Cl 0.23261733133090 0.80934948776394 0.22034477973735 35.453 > 27 28 Cl 0.77802195176898 0.45770387875508 0.00176920907153 35.453 > 28 29 Cl 0.77592641072567 0.65856390010414 0.68675956894324 35.453 > 29 30 Cl 0.23261733133090 0.69065051223606 0.72034477973735 35.453 > 30 31 Cl 0.95724836714157 0.83442891335739 0.89995037567933 35.453 > 31 32 Cl 0.54036073899519 0.82422498880488 0.91535590090150 35.453 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 17.573239921103312 0.000000000000000 0.000000000000000 b 0.000000000000000 15.684128480000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): *1 K 0.24537884000036 0.02473510398021 0.32987931846114 39.098 > 1 2 K 0.74537884000036 0.02473510398021 0.32987931846114 39.098 > 1 3 K 0.24537884000036 0.52473510398021 0.32987931846114 39.098 > 1 4 K 0.74537884000036 0.52473510398021 0.32987931846114 39.098 > 1 5 K 0.24537884000036 0.22526489601979 0.82987931846115 39.098 > 2 6 K 0.74537884000036 0.22526489601979 0.82987931846115 39.098 > 2 7 K 0.24537884000036 0.72526489601979 0.82987931846115 39.098 > 2 8 K 0.74537884000036 0.72526489601979 0.82987931846115 39.098 > 2 9 K 0.25462115999964 0.27473510398021 0.17012068153886 39.098 > 3 10 K 0.75462115999964 0.27473510398021 0.17012068153886 39.098 > 3 11 K 0.25462115999964 0.77473510398021 0.17012068153886 39.098 > 3 12 K 0.75462115999964 0.77473510398021 0.17012068153886 39.098 > 3 13 K 0.25462115999964 0.47526489601979 0.67012068153885 39.098 > 4 14 K 0.75462115999964 0.47526489601979 0.67012068153885 39.098 > 4 15 K 0.25462115999964 0.97526489601979 0.67012068153885 39.098 > 4 16 K 0.75462115999964 0.97526489601979 0.67012068153885 39.098 > 4 *17 Pb 0.37364403931386 0.03411157630421 0.00614340129326 207.200 > 5 18 Pb 0.87364403931386 0.03411157630421 0.00614340129326 207.200 > 5 19 Pb 0.37364403931386 0.53411157630421 0.00614340129326 207.200 > 5 20 Pb 0.87364403931386 0.53411157630421 0.00614340129326 207.200 > 5 *21 Pb 0.00284429239733 0.25640662737394 0.17634329121102 207.200 > 6 22 Pb 0.50284429239733 0.25640662737394 0.17634329121102 207.200 > 6 23 Pb 0.00284429239733 0.75640662737394 0.17634329121102 207.200 > 6 24 Pb 0.50284429239733 0.75640662737394 0.17634329121102 207.200 > 6 25 Pb 0.49715570760267 0.00640662737394 0.32365670878898 207.200 > 7 26 Pb 0.99715570760267 0.00640662737394 0.32365670878898 207.200 > 7 27 Pb 0.49715570760267 0.50640662737394 0.32365670878898 207.200 > 7 28 Pb 0.99715570760267 0.50640662737394 0.32365670878898 207.200 > 7 29 Pb 0.00284429239733 0.49359337262606 0.67634329121102 207.200 > 8 30 Pb 0.50284429239733 0.49359337262606 0.67634329121102 207.200 > 8 31 Pb 0.00284429239733 0.99359337262606 0.67634329121102 207.200 > 8 32 Pb 0.50284429239733 0.99359337262606 0.67634329121102 207.200 > 8 33 Pb 0.37364403931386 0.21588842369579 0.50614340129326 207.200 > 9 34 Pb 0.87364403931386 0.21588842369579 0.50614340129326 207.200 > 9 35 Pb 0.37364403931386 0.71588842369579 0.50614340129326 207.200 > 9 36 Pb 0.87364403931386 0.71588842369579 0.50614340129326 207.200 > 9 37 Pb 0.49715570760267 0.24359337262606 0.82365670878898 207.200 > 10 38 Pb 0.99715570760267 0.24359337262606 0.82365670878898 207.200 > 10 39 Pb 0.49715570760267 0.74359337262606 0.82365670878898 207.200 > 10 40 Pb 0.99715570760267 0.74359337262606 0.82365670878898 207.200 > 10 41 Pb 0.12635596068614 0.28411157630421 0.49385659870674 207.200 > 11 42 Pb 0.62635596068614 0.28411157630421 0.49385659870674 207.200 > 11 43 Pb 0.12635596068614 0.78411157630421 0.49385659870674 207.200 > 11 44 Pb 0.62635596068614 0.78411157630421 0.49385659870674 207.200 > 11 45 Pb 0.12635596068614 0.46588842369579 0.99385659870674 207.200 > 12 46 Pb 0.62635596068614 0.46588842369579 0.99385659870674 207.200 > 12 47 Pb 0.12635596068614 0.96588842369579 0.99385659870674 207.200 > 12 48 Pb 0.62635596068614 0.96588842369579 0.99385659870674 207.200 > 12 *49 Cl 0.38369133433455 0.09532525611803 0.77965522026265 35.453 > 13 50 Cl 0.88369133433455 0.09532525611803 0.77965522026265 35.453 > 13 51 Cl 0.38369133433455 0.59532525611803 0.77965522026265 35.453 > 13 52 Cl 0.88369133433455 0.59532525611803 0.77965522026265 35.453 > 13 *53 Cl 0.22981963050241 0.16211249440244 0.58464409909850 35.453 > 14 54 Cl 0.72981963050240 0.16211249440244 0.58464409909850 35.453 > 14 55 Cl 0.22981963050241 0.66211249440244 0.58464409909850 35.453 > 14 56 Cl 0.72981963050240 0.66211249440244 0.58464409909850 35.453 > 14 *57 Cl 0.47862418357079 0.33278554332130 0.39995037567933 35.453 > 15 58 Cl 0.97862418357079 0.33278554332130 0.39995037567933 35.453 > 15 59 Cl 0.47862418357079 0.83278554332130 0.39995037567933 35.453 > 15 60 Cl 0.97862418357079 0.83278554332130 0.39995037567933 35.453 > 15 *61 Cl 0.11203679463717 0.17071804994793 0.31324043105676 35.453 > 16 62 Cl 0.61203679463717 0.17071804994793 0.31324043105676 35.453 > 16 63 Cl 0.11203679463717 0.67071804994793 0.31324043105676 35.453 > 16 64 Cl 0.61203679463717 0.67071804994793 0.31324043105676 35.453 > 16 *65 Cl 0.11098902411551 0.47885193937754 0.49823079092847 35.453 > 17 66 Cl 0.61098902411551 0.47885193937754 0.49823079092847 35.453 > 17 67 Cl 0.11098902411551 0.97885193937754 0.49823079092847 35.453 > 17 68 Cl 0.61098902411551 0.97885193937754 0.49823079092847 35.453 > 17 69 Cl 0.38901097588449 0.02114806062246 0.50176920907153 35.453 > 18 70 Cl 0.88901097588449 0.02114806062246 0.50176920907153 35.453 > 18 71 Cl 0.38901097588449 0.52114806062246 0.50176920907153 35.453 > 18 72 Cl 0.88901097588449 0.52114806062246 0.50176920907153 35.453 > 18 73 Cl 0.38369133433455 0.15467474388197 0.27965522026265 35.453 > 19 74 Cl 0.88369133433455 0.15467474388197 0.27965522026265 35.453 > 19 75 Cl 0.38369133433455 0.65467474388197 0.27965522026265 35.453 > 19 76 Cl 0.88369133433455 0.65467474388197 0.27965522026265 35.453 > 19 77 Cl 0.38796320536283 0.42071804994793 0.18675956894324 35.453 > 20 78 Cl 0.88796320536283 0.42071804994793 0.18675956894324 35.453 > 20 79 Cl 0.38796320536283 0.92071804994793 0.18675956894324 35.453 > 20 80 Cl 0.88796320536283 0.92071804994793 0.18675956894324 35.453 > 20 81 Cl 0.11098902411551 0.27114806062246 0.99823079092847 35.453 > 21 82 Cl 0.61098902411551 0.27114806062246 0.99823079092847 35.453 > 21 83 Cl 0.11098902411551 0.77114806062246 0.99823079092847 35.453 > 21 84 Cl 0.61098902411551 0.77114806062246 0.99823079092847 35.453 > 21 85 Cl 0.02137581642921 0.16721445667870 0.60004962432067 35.453 > 22 86 Cl 0.52137581642921 0.16721445667870 0.60004962432067 35.453 > 22 87 Cl 0.02137581642921 0.66721445667870 0.60004962432067 35.453 > 22 88 Cl 0.52137581642921 0.66721445667870 0.60004962432067 35.453 > 22 89 Cl 0.02137581642921 0.08278554332130 0.10004962432067 35.453 > 23 90 Cl 0.52137581642921 0.08278554332130 0.10004962432067 35.453 > 23 91 Cl 0.02137581642921 0.58278554332130 0.10004962432067 35.453 > 23 92 Cl 0.52137581642921 0.58278554332130 0.10004962432067 35.453 > 23 93 Cl 0.22981963050241 0.08788750559756 0.08464409909850 35.453 > 24 94 Cl 0.72981963050240 0.08788750559756 0.08464409909850 35.453 > 24 95 Cl 0.22981963050241 0.58788750559756 0.08464409909850 35.453 > 24 96 Cl 0.72981963050240 0.58788750559756 0.08464409909850 35.453 > 24 97 Cl 0.27018036949759 0.33788750559756 0.41535590090150 35.453 > 25 98 Cl 0.77018036949760 0.33788750559756 0.41535590090150 35.453 > 25 99 Cl 0.27018036949759 0.83788750559756 0.41535590090150 35.453 > 25 100 Cl 0.77018036949760 0.83788750559756 0.41535590090150 35.453 > 25 101 Cl 0.11203679463717 0.07928195005207 0.81324043105676 35.453 > 26 102 Cl 0.61203679463717 0.07928195005207 0.81324043105676 35.453 > 26 103 Cl 0.11203679463717 0.57928195005207 0.81324043105676 35.453 > 26 104 Cl 0.61203679463717 0.57928195005207 0.81324043105676 35.453 > 26 105 Cl 0.11630866566545 0.40467474388197 0.22034477973735 35.453 > 27 106 Cl 0.61630866566545 0.40467474388197 0.22034477973735 35.453 > 27 107 Cl 0.11630866566545 0.90467474388197 0.22034477973735 35.453 > 27 108 Cl 0.61630866566545 0.90467474388197 0.22034477973735 35.453 > 27 109 Cl 0.38901097588449 0.22885193937754 0.00176920907153 35.453 > 28 110 Cl 0.88901097588449 0.22885193937754 0.00176920907153 35.453 > 28 111 Cl 0.38901097588449 0.72885193937754 0.00176920907153 35.453 > 28 112 Cl 0.88901097588449 0.72885193937754 0.00176920907153 35.453 > 28 113 Cl 0.38796320536283 0.32928195005207 0.68675956894324 35.453 > 29 114 Cl 0.88796320536283 0.32928195005207 0.68675956894324 35.453 > 29 115 Cl 0.38796320536283 0.82928195005207 0.68675956894324 35.453 > 29 116 Cl 0.88796320536283 0.82928195005207 0.68675956894324 35.453 > 29 117 Cl 0.11630866566545 0.34532525611803 0.72034477973735 35.453 > 30 118 Cl 0.61630866566545 0.34532525611803 0.72034477973735 35.453 > 30 119 Cl 0.11630866566545 0.84532525611803 0.72034477973735 35.453 > 30 120 Cl 0.61630866566545 0.84532525611803 0.72034477973735 35.453 > 30 121 Cl 0.47862418357079 0.41721445667870 0.89995037567933 35.453 > 31 122 Cl 0.97862418357079 0.41721445667870 0.89995037567933 35.453 > 31 123 Cl 0.47862418357079 0.91721445667870 0.89995037567933 35.453 > 31 124 Cl 0.97862418357079 0.91721445667870 0.89995037567933 35.453 > 31 125 Cl 0.27018036949759 0.41211249440244 0.91535590090150 35.453 > 32 126 Cl 0.77018036949760 0.41211249440244 0.91535590090150 35.453 > 32 127 Cl 0.27018036949759 0.91211249440244 0.91535590090150 35.453 > 32 128 Cl 0.77018036949760 0.91211249440244 0.91535590090150 35.453 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1780035 0.0000000 -0.0048927 0.0000000 4.3140771 0.0000000 -0.0048959 0.0000000 4.3921032-------------------------- Born effective charges -------------------------- 1 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 2 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 3 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 4 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 5 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 6 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 7 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 8 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 9 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 10 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 11 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 12 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 13 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 14 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 15 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 16 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 17 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 18 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 19 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 20 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 21 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 22 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 23 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 24 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459 25 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 26 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 27 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 28 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 29 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 30 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 31 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 32 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459----------------------------------------------------------------------------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: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4752Number of blocks in projector: 4752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 513 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 11 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4752, 4681), data: False|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 259), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 259), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 960 - Time: 1.426Solver_block: 200 / 960 - Time: 1.267Solver_block: 300 / 960 - Time: 1.264Solver_block: 400 / 960 - Time: 1.266Solver_block: 500 / 960 - Time: 1.257Solver_block: 600 / 960 - Time: 1.264Solver_block: 700 / 960 - Time: 1.268Solver_block: 800 / 960 - Time: 1.270Solver_block: 900 / 960 - Time: 1.267Solver_block: 960 / 960 - Time: 0.865Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.735--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4752Number of blocks in projector: 4752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1024Use submatrix version of eigh solver.(1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 513 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 11 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 552 eigenvectors found.(1) Complementary block size: 7(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4752, 4681), data: False|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True|-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 259), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 259), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 20:12:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:12:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.786619960551656 0.000000000000000 0.000000000000000 b 0.000000000000000 7.842064240000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): 1 K 0.49075768000073 0.04947020796042 0.32987931846114 39.098 2 K 0.49075768000073 0.45052979203958 0.82987931846115 39.098 3 K 0.50924231999927 0.54947020796042 0.17012068153886 39.098 4 K 0.50924231999927 0.95052979203958 0.67012068153885 39.098 5 Pb 0.74728807862772 0.06822315260842 0.00614340129326 207.200 6 Pb 0.00568858479465 0.51281325474787 0.17634329121102 207.200 7 Pb 0.99431141520535 0.01281325474787 0.32365670878898 207.200 8 Pb 0.00568858479465 0.98718674525213 0.67634329121102 207.200 9 Pb 0.74728807862772 0.43177684739158 0.50614340129326 207.200 10 Pb 0.99431141520535 0.48718674525213 0.82365670878898 207.200 11 Pb 0.25271192137228 0.56822315260842 0.49385659870674 207.200 12 Pb 0.25271192137228 0.93177684739158 0.99385659870674 207.200 13 Cl 0.76738266866910 0.19065051223606 0.77965522026265 35.453 14 Cl 0.45963926100481 0.32422498880488 0.58464409909850 35.453 15 Cl 0.95724836714157 0.66557108664261 0.39995037567933 35.453 16 Cl 0.22407358927433 0.34143609989586 0.31324043105676 35.453 17 Cl 0.22197804823102 0.95770387875508 0.49823079092847 35.453 18 Cl 0.77802195176898 0.04229612124493 0.50176920907153 35.453 19 Cl 0.76738266866910 0.30934948776394 0.27965522026265 35.453 20 Cl 0.77592641072567 0.84143609989586 0.18675956894324 35.453 21 Cl 0.22197804823102 0.54229612124492 0.99823079092847 35.453 22 Cl 0.04275163285843 0.33442891335739 0.60004962432067 35.453 23 Cl 0.04275163285843 0.16557108664261 0.10004962432067 35.453 24 Cl 0.45963926100481 0.17577501119512 0.08464409909850 35.453 25 Cl 0.54036073899519 0.67577501119512 0.41535590090150 35.453 26 Cl 0.22407358927433 0.15856390010414 0.81324043105676 35.453 27 Cl 0.23261733133090 0.80934948776394 0.22034477973735 35.453 28 Cl 0.77802195176898 0.45770387875508 0.00176920907153 35.453 29 Cl 0.77592641072567 0.65856390010414 0.68675956894324 35.453 30 Cl 0.23261733133090 0.69065051223606 0.72034477973735 35.453 31 Cl 0.95724836714157 0.83442891335739 0.89995037567933 35.453 32 Cl 0.54036073899519 0.82422498880488 0.91535590090150 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 17.573239921103312 0.000000000000000 0.000000000000000 b 0.000000000000000 15.684128480000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): 1 K 0.24537884000036 0.02473510398021 0.32987931846114 39.098 > 1 2 K 0.74537884000036 0.02473510398021 0.32987931846114 39.098 > 1 3 K 0.24537884000036 0.52473510398021 0.32987931846114 39.098 > 1 4 K 0.74537884000036 0.52473510398021 0.32987931846114 39.098 > 1 5 K 0.24537884000036 0.22526489601979 0.82987931846115 39.098 > 5 6 K 0.74537884000036 0.22526489601979 0.82987931846115 39.098 > 5 7 K 0.24537884000036 0.72526489601979 0.82987931846115 39.098 > 5 8 K 0.74537884000036 0.72526489601979 0.82987931846115 39.098 > 5 9 K 0.25462115999964 0.27473510398021 0.17012068153886 39.098 > 9 10 K 0.75462115999964 0.27473510398021 0.17012068153886 39.098 > 9 11 K 0.25462115999964 0.77473510398021 0.17012068153886 39.098 > 9 12 K 0.75462115999964 0.77473510398021 0.17012068153886 39.098 > 9 13 K 0.25462115999964 0.47526489601979 0.67012068153885 39.098 > 13 14 K 0.75462115999964 0.47526489601979 0.67012068153885 39.098 > 13 15 K 0.25462115999964 0.97526489601979 0.67012068153885 39.098 > 13 16 K 0.75462115999964 0.97526489601979 0.67012068153885 39.098 > 13 17 Pb 0.37364403931386 0.03411157630421 0.00614340129326 207.200 > 17 18 Pb 0.87364403931386 0.03411157630421 0.00614340129326 207.200 > 17 19 Pb 0.37364403931386 0.53411157630421 0.00614340129326 207.200 > 17 20 Pb 0.87364403931386 0.53411157630421 0.00614340129326 207.200 > 17 21 Pb 0.00284429239733 0.25640662737394 0.17634329121102 207.200 > 21 22 Pb 0.50284429239733 0.25640662737394 0.17634329121102 207.200 > 21 23 Pb 0.00284429239733 0.75640662737394 0.17634329121102 207.200 > 21 24 Pb 0.50284429239733 0.75640662737394 0.17634329121102 207.200 > 21 25 Pb 0.49715570760267 0.00640662737394 0.32365670878898 207.200 > 25 26 Pb 0.99715570760267 0.00640662737394 0.32365670878898 207.200 > 25 27 Pb 0.49715570760267 0.50640662737394 0.32365670878898 207.200 > 25 28 Pb 0.99715570760267 0.50640662737394 0.32365670878898 207.200 > 25 29 Pb 0.00284429239733 0.49359337262606 0.67634329121102 207.200 > 29 30 Pb 0.50284429239733 0.49359337262606 0.67634329121102 207.200 > 29 31 Pb 0.00284429239733 0.99359337262606 0.67634329121102 207.200 > 29 32 Pb 0.50284429239733 0.99359337262606 0.67634329121102 207.200 > 29 33 Pb 0.37364403931386 0.21588842369579 0.50614340129326 207.200 > 33 34 Pb 0.87364403931386 0.21588842369579 0.50614340129326 207.200 > 33 35 Pb 0.37364403931386 0.71588842369579 0.50614340129326 207.200 > 33 36 Pb 0.87364403931386 0.71588842369579 0.50614340129326 207.200 > 33 37 Pb 0.49715570760267 0.24359337262606 0.82365670878898 207.200 > 37 38 Pb 0.99715570760267 0.24359337262606 0.82365670878898 207.200 > 37 39 Pb 0.49715570760267 0.74359337262606 0.82365670878898 207.200 > 37 40 Pb 0.99715570760267 0.74359337262606 0.82365670878898 207.200 > 37 41 Pb 0.12635596068614 0.28411157630421 0.49385659870674 207.200 > 41 42 Pb 0.62635596068614 0.28411157630421 0.49385659870674 207.200 > 41 43 Pb 0.12635596068614 0.78411157630421 0.49385659870674 207.200 > 41 44 Pb 0.62635596068614 0.78411157630421 0.49385659870674 207.200 > 41 45 Pb 0.12635596068614 0.46588842369579 0.99385659870674 207.200 > 45 46 Pb 0.62635596068614 0.46588842369579 0.99385659870674 207.200 > 45 47 Pb 0.12635596068614 0.96588842369579 0.99385659870674 207.200 > 45 48 Pb 0.62635596068614 0.96588842369579 0.99385659870674 207.200 > 45 49 Cl 0.38369133433455 0.09532525611803 0.77965522026265 35.453 > 49 50 Cl 0.88369133433455 0.09532525611803 0.77965522026265 35.453 > 49 51 Cl 0.38369133433455 0.59532525611803 0.77965522026265 35.453 > 49 52 Cl 0.88369133433455 0.59532525611803 0.77965522026265 35.453 > 49 53 Cl 0.22981963050241 0.16211249440244 0.58464409909850 35.453 > 53 54 Cl 0.72981963050240 0.16211249440244 0.58464409909850 35.453 > 53 55 Cl 0.22981963050241 0.66211249440244 0.58464409909850 35.453 > 53 56 Cl 0.72981963050240 0.66211249440244 0.58464409909850 35.453 > 53 57 Cl 0.47862418357079 0.33278554332130 0.39995037567933 35.453 > 57 58 Cl 0.97862418357079 0.33278554332130 0.39995037567933 35.453 > 57 59 Cl 0.47862418357079 0.83278554332130 0.39995037567933 35.453 > 57 60 Cl 0.97862418357079 0.83278554332130 0.39995037567933 35.453 > 57 61 Cl 0.11203679463717 0.17071804994793 0.31324043105676 35.453 > 61 62 Cl 0.61203679463717 0.17071804994793 0.31324043105676 35.453 > 61 63 Cl 0.11203679463717 0.67071804994793 0.31324043105676 35.453 > 61 64 Cl 0.61203679463717 0.67071804994793 0.31324043105676 35.453 > 61 65 Cl 0.11098902411551 0.47885193937754 0.49823079092847 35.453 > 65 66 Cl 0.61098902411551 0.47885193937754 0.49823079092847 35.453 > 65 67 Cl 0.11098902411551 0.97885193937754 0.49823079092847 35.453 > 65 68 Cl 0.61098902411551 0.97885193937754 0.49823079092847 35.453 > 65 69 Cl 0.38901097588449 0.02114806062246 0.50176920907153 35.453 > 69 70 Cl 0.88901097588449 0.02114806062246 0.50176920907153 35.453 > 69 71 Cl 0.38901097588449 0.52114806062246 0.50176920907153 35.453 > 69 72 Cl 0.88901097588449 0.52114806062246 0.50176920907153 35.453 > 69 73 Cl 0.38369133433455 0.15467474388197 0.27965522026265 35.453 > 73 74 Cl 0.88369133433455 0.15467474388197 0.27965522026265 35.453 > 73 75 Cl 0.38369133433455 0.65467474388197 0.27965522026265 35.453 > 73 76 Cl 0.88369133433455 0.65467474388197 0.27965522026265 35.453 > 73 77 Cl 0.38796320536283 0.42071804994793 0.18675956894324 35.453 > 77 78 Cl 0.88796320536283 0.42071804994793 0.18675956894324 35.453 > 77 79 Cl 0.38796320536283 0.92071804994793 0.18675956894324 35.453 > 77 80 Cl 0.88796320536283 0.92071804994793 0.18675956894324 35.453 > 77 81 Cl 0.11098902411551 0.27114806062246 0.99823079092847 35.453 > 81 82 Cl 0.61098902411551 0.27114806062246 0.99823079092847 35.453 > 81 83 Cl 0.11098902411551 0.77114806062246 0.99823079092847 35.453 > 81 84 Cl 0.61098902411551 0.77114806062246 0.99823079092847 35.453 > 81 85 Cl 0.02137581642921 0.16721445667870 0.60004962432067 35.453 > 85 86 Cl 0.52137581642921 0.16721445667870 0.60004962432067 35.453 > 85 87 Cl 0.02137581642921 0.66721445667870 0.60004962432067 35.453 > 85 88 Cl 0.52137581642921 0.66721445667870 0.60004962432067 35.453 > 85 89 Cl 0.02137581642921 0.08278554332130 0.10004962432067 35.453 > 89 90 Cl 0.52137581642921 0.08278554332130 0.10004962432067 35.453 > 89 91 Cl 0.02137581642921 0.58278554332130 0.10004962432067 35.453 > 89 92 Cl 0.52137581642921 0.58278554332130 0.10004962432067 35.453 > 89 93 Cl 0.22981963050241 0.08788750559756 0.08464409909850 35.453 > 93 94 Cl 0.72981963050240 0.08788750559756 0.08464409909850 35.453 > 93 95 Cl 0.22981963050241 0.58788750559756 0.08464409909850 35.453 > 93 96 Cl 0.72981963050240 0.58788750559756 0.08464409909850 35.453 > 93 97 Cl 0.27018036949759 0.33788750559756 0.41535590090150 35.453 > 97 98 Cl 0.77018036949760 0.33788750559756 0.41535590090150 35.453 > 97 99 Cl 0.27018036949759 0.83788750559756 0.41535590090150 35.453 > 97 100 Cl 0.77018036949760 0.83788750559756 0.41535590090150 35.453 > 97 101 Cl 0.11203679463717 0.07928195005207 0.81324043105676 35.453 > 101 102 Cl 0.61203679463717 0.07928195005207 0.81324043105676 35.453 > 101 103 Cl 0.11203679463717 0.57928195005207 0.81324043105676 35.453 > 101 104 Cl 0.61203679463717 0.57928195005207 0.81324043105676 35.453 > 101 105 Cl 0.11630866566545 0.40467474388197 0.22034477973735 35.453 > 105 106 Cl 0.61630866566545 0.40467474388197 0.22034477973735 35.453 > 105 107 Cl 0.11630866566545 0.90467474388197 0.22034477973735 35.453 > 105 108 Cl 0.61630866566545 0.90467474388197 0.22034477973735 35.453 > 105 109 Cl 0.38901097588449 0.22885193937754 0.00176920907153 35.453 > 109 110 Cl 0.88901097588449 0.22885193937754 0.00176920907153 35.453 > 109 111 Cl 0.38901097588449 0.72885193937754 0.00176920907153 35.453 > 109 112 Cl 0.88901097588449 0.72885193937754 0.00176920907153 35.453 > 109 113 Cl 0.38796320536283 0.32928195005207 0.68675956894324 35.453 > 113 114 Cl 0.88796320536283 0.32928195005207 0.68675956894324 35.453 > 113 115 Cl 0.38796320536283 0.82928195005207 0.68675956894324 35.453 > 113 116 Cl 0.88796320536283 0.82928195005207 0.68675956894324 35.453 > 113 117 Cl 0.11630866566545 0.34532525611803 0.72034477973735 35.453 > 117 118 Cl 0.61630866566545 0.34532525611803 0.72034477973735 35.453 > 117 119 Cl 0.11630866566545 0.84532525611803 0.72034477973735 35.453 > 117 120 Cl 0.61630866566545 0.84532525611803 0.72034477973735 35.453 > 117 121 Cl 0.47862418357079 0.41721445667870 0.89995037567933 35.453 > 121 122 Cl 0.97862418357079 0.41721445667870 0.89995037567933 35.453 > 121 123 Cl 0.47862418357079 0.91721445667870 0.89995037567933 35.453 > 121 124 Cl 0.97862418357079 0.91721445667870 0.89995037567933 35.453 > 121 125 Cl 0.27018036949759 0.41211249440244 0.91535590090150 35.453 > 125 126 Cl 0.77018036949760 0.41211249440244 0.91535590090150 35.453 > 125 127 Cl 0.27018036949759 0.91211249440244 0.91535590090150 35.453 > 125 128 Cl 0.77018036949760 0.91211249440244 0.91535590090150 35.453 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1780035 0.0000000 -0.0048927 0.0000000 4.3140771 0.0000000 -0.0048959 0.0000000 4.3921032-------------------------- Born effective charges -------------------------- 1 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 2 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 3 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 4 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 5 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 6 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 7 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 8 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 9 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 10 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 11 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 12 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 13 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 14 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 15 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 16 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 17 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 18 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 19 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 20 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 21 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 22 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 23 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 24 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459 25 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 26 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 27 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 28 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 29 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 30 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 31 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 32 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459----------------------------------------------------------------------------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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 21, 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 20:13:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:13:05]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.786619960551656 0.000000000000000 0.000000000000000 b 0.000000000000000 7.842064240000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): 1 K 0.49075768000073 0.04947020796042 0.32987931846114 39.098 2 K 0.49075768000073 0.45052979203958 0.82987931846115 39.098 3 K 0.50924231999927 0.54947020796042 0.17012068153886 39.098 4 K 0.50924231999927 0.95052979203958 0.67012068153885 39.098 5 Pb 0.74728807862772 0.06822315260842 0.00614340129326 207.200 6 Pb 0.00568858479465 0.51281325474787 0.17634329121102 207.200 7 Pb 0.99431141520535 0.01281325474787 0.32365670878898 207.200 8 Pb 0.00568858479465 0.98718674525213 0.67634329121102 207.200 9 Pb 0.74728807862772 0.43177684739158 0.50614340129326 207.200 10 Pb 0.99431141520535 0.48718674525213 0.82365670878898 207.200 11 Pb 0.25271192137228 0.56822315260842 0.49385659870674 207.200 12 Pb 0.25271192137228 0.93177684739158 0.99385659870674 207.200 13 Cl 0.76738266866910 0.19065051223606 0.77965522026265 35.453 14 Cl 0.45963926100481 0.32422498880488 0.58464409909850 35.453 15 Cl 0.95724836714157 0.66557108664261 0.39995037567933 35.453 16 Cl 0.22407358927433 0.34143609989586 0.31324043105676 35.453 17 Cl 0.22197804823102 0.95770387875508 0.49823079092847 35.453 18 Cl 0.77802195176898 0.04229612124493 0.50176920907153 35.453 19 Cl 0.76738266866910 0.30934948776394 0.27965522026265 35.453 20 Cl 0.77592641072567 0.84143609989586 0.18675956894324 35.453 21 Cl 0.22197804823102 0.54229612124492 0.99823079092847 35.453 22 Cl 0.04275163285843 0.33442891335739 0.60004962432067 35.453 23 Cl 0.04275163285843 0.16557108664261 0.10004962432067 35.453 24 Cl 0.45963926100481 0.17577501119512 0.08464409909850 35.453 25 Cl 0.54036073899519 0.67577501119512 0.41535590090150 35.453 26 Cl 0.22407358927433 0.15856390010414 0.81324043105676 35.453 27 Cl 0.23261733133090 0.80934948776394 0.22034477973735 35.453 28 Cl 0.77802195176898 0.45770387875508 0.00176920907153 35.453 29 Cl 0.77592641072567 0.65856390010414 0.68675956894324 35.453 30 Cl 0.23261733133090 0.69065051223606 0.72034477973735 35.453 31 Cl 0.95724836714157 0.83442891335739 0.89995037567933 35.453 32 Cl 0.54036073899519 0.82422498880488 0.91535590090150 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 17.573239921103312 0.000000000000000 0.000000000000000 b 0.000000000000000 15.684128480000000 0.000000000000000 c -0.001809286602342 0.000000000000000 12.421688881054152Atomic positions (fractional): 1 K 0.24537884000036 0.02473510398021 0.32987931846114 39.098 > 1 2 K 0.74537884000036 0.02473510398021 0.32987931846114 39.098 > 1 3 K 0.24537884000036 0.52473510398021 0.32987931846114 39.098 > 1 4 K 0.74537884000036 0.52473510398021 0.32987931846114 39.098 > 1 5 K 0.24537884000036 0.22526489601979 0.82987931846115 39.098 > 5 6 K 0.74537884000036 0.22526489601979 0.82987931846115 39.098 > 5 7 K 0.24537884000036 0.72526489601979 0.82987931846115 39.098 > 5 8 K 0.74537884000036 0.72526489601979 0.82987931846115 39.098 > 5 9 K 0.25462115999964 0.27473510398021 0.17012068153886 39.098 > 9 10 K 0.75462115999964 0.27473510398021 0.17012068153886 39.098 > 9 11 K 0.25462115999964 0.77473510398021 0.17012068153886 39.098 > 9 12 K 0.75462115999964 0.77473510398021 0.17012068153886 39.098 > 9 13 K 0.25462115999964 0.47526489601979 0.67012068153885 39.098 > 13 14 K 0.75462115999964 0.47526489601979 0.67012068153885 39.098 > 13 15 K 0.25462115999964 0.97526489601979 0.67012068153885 39.098 > 13 16 K 0.75462115999964 0.97526489601979 0.67012068153885 39.098 > 13 17 Pb 0.37364403931386 0.03411157630421 0.00614340129326 207.200 > 17 18 Pb 0.87364403931386 0.03411157630421 0.00614340129326 207.200 > 17 19 Pb 0.37364403931386 0.53411157630421 0.00614340129326 207.200 > 17 20 Pb 0.87364403931386 0.53411157630421 0.00614340129326 207.200 > 17 21 Pb 0.00284429239733 0.25640662737394 0.17634329121102 207.200 > 21 22 Pb 0.50284429239733 0.25640662737394 0.17634329121102 207.200 > 21 23 Pb 0.00284429239733 0.75640662737394 0.17634329121102 207.200 > 21 24 Pb 0.50284429239733 0.75640662737394 0.17634329121102 207.200 > 21 25 Pb 0.49715570760267 0.00640662737394 0.32365670878898 207.200 > 25 26 Pb 0.99715570760267 0.00640662737394 0.32365670878898 207.200 > 25 27 Pb 0.49715570760267 0.50640662737394 0.32365670878898 207.200 > 25 28 Pb 0.99715570760267 0.50640662737394 0.32365670878898 207.200 > 25 29 Pb 0.00284429239733 0.49359337262606 0.67634329121102 207.200 > 29 30 Pb 0.50284429239733 0.49359337262606 0.67634329121102 207.200 > 29 31 Pb 0.00284429239733 0.99359337262606 0.67634329121102 207.200 > 29 32 Pb 0.50284429239733 0.99359337262606 0.67634329121102 207.200 > 29 33 Pb 0.37364403931386 0.21588842369579 0.50614340129326 207.200 > 33 34 Pb 0.87364403931386 0.21588842369579 0.50614340129326 207.200 > 33 35 Pb 0.37364403931386 0.71588842369579 0.50614340129326 207.200 > 33 36 Pb 0.87364403931386 0.71588842369579 0.50614340129326 207.200 > 33 37 Pb 0.49715570760267 0.24359337262606 0.82365670878898 207.200 > 37 38 Pb 0.99715570760267 0.24359337262606 0.82365670878898 207.200 > 37 39 Pb 0.49715570760267 0.74359337262606 0.82365670878898 207.200 > 37 40 Pb 0.99715570760267 0.74359337262606 0.82365670878898 207.200 > 37 41 Pb 0.12635596068614 0.28411157630421 0.49385659870674 207.200 > 41 42 Pb 0.62635596068614 0.28411157630421 0.49385659870674 207.200 > 41 43 Pb 0.12635596068614 0.78411157630421 0.49385659870674 207.200 > 41 44 Pb 0.62635596068614 0.78411157630421 0.49385659870674 207.200 > 41 45 Pb 0.12635596068614 0.46588842369579 0.99385659870674 207.200 > 45 46 Pb 0.62635596068614 0.46588842369579 0.99385659870674 207.200 > 45 47 Pb 0.12635596068614 0.96588842369579 0.99385659870674 207.200 > 45 48 Pb 0.62635596068614 0.96588842369579 0.99385659870674 207.200 > 45 49 Cl 0.38369133433455 0.09532525611803 0.77965522026265 35.453 > 49 50 Cl 0.88369133433455 0.09532525611803 0.77965522026265 35.453 > 49 51 Cl 0.38369133433455 0.59532525611803 0.77965522026265 35.453 > 49 52 Cl 0.88369133433455 0.59532525611803 0.77965522026265 35.453 > 49 53 Cl 0.22981963050241 0.16211249440244 0.58464409909850 35.453 > 53 54 Cl 0.72981963050240 0.16211249440244 0.58464409909850 35.453 > 53 55 Cl 0.22981963050241 0.66211249440244 0.58464409909850 35.453 > 53 56 Cl 0.72981963050240 0.66211249440244 0.58464409909850 35.453 > 53 57 Cl 0.47862418357079 0.33278554332130 0.39995037567933 35.453 > 57 58 Cl 0.97862418357079 0.33278554332130 0.39995037567933 35.453 > 57 59 Cl 0.47862418357079 0.83278554332130 0.39995037567933 35.453 > 57 60 Cl 0.97862418357079 0.83278554332130 0.39995037567933 35.453 > 57 61 Cl 0.11203679463717 0.17071804994793 0.31324043105676 35.453 > 61 62 Cl 0.61203679463717 0.17071804994793 0.31324043105676 35.453 > 61 63 Cl 0.11203679463717 0.67071804994793 0.31324043105676 35.453 > 61 64 Cl 0.61203679463717 0.67071804994793 0.31324043105676 35.453 > 61 65 Cl 0.11098902411551 0.47885193937754 0.49823079092847 35.453 > 65 66 Cl 0.61098902411551 0.47885193937754 0.49823079092847 35.453 > 65 67 Cl 0.11098902411551 0.97885193937754 0.49823079092847 35.453 > 65 68 Cl 0.61098902411551 0.97885193937754 0.49823079092847 35.453 > 65 69 Cl 0.38901097588449 0.02114806062246 0.50176920907153 35.453 > 69 70 Cl 0.88901097588449 0.02114806062246 0.50176920907153 35.453 > 69 71 Cl 0.38901097588449 0.52114806062246 0.50176920907153 35.453 > 69 72 Cl 0.88901097588449 0.52114806062246 0.50176920907153 35.453 > 69 73 Cl 0.38369133433455 0.15467474388197 0.27965522026265 35.453 > 73 74 Cl 0.88369133433455 0.15467474388197 0.27965522026265 35.453 > 73 75 Cl 0.38369133433455 0.65467474388197 0.27965522026265 35.453 > 73 76 Cl 0.88369133433455 0.65467474388197 0.27965522026265 35.453 > 73 77 Cl 0.38796320536283 0.42071804994793 0.18675956894324 35.453 > 77 78 Cl 0.88796320536283 0.42071804994793 0.18675956894324 35.453 > 77 79 Cl 0.38796320536283 0.92071804994793 0.18675956894324 35.453 > 77 80 Cl 0.88796320536283 0.92071804994793 0.18675956894324 35.453 > 77 81 Cl 0.11098902411551 0.27114806062246 0.99823079092847 35.453 > 81 82 Cl 0.61098902411551 0.27114806062246 0.99823079092847 35.453 > 81 83 Cl 0.11098902411551 0.77114806062246 0.99823079092847 35.453 > 81 84 Cl 0.61098902411551 0.77114806062246 0.99823079092847 35.453 > 81 85 Cl 0.02137581642921 0.16721445667870 0.60004962432067 35.453 > 85 86 Cl 0.52137581642921 0.16721445667870 0.60004962432067 35.453 > 85 87 Cl 0.02137581642921 0.66721445667870 0.60004962432067 35.453 > 85 88 Cl 0.52137581642921 0.66721445667870 0.60004962432067 35.453 > 85 89 Cl 0.02137581642921 0.08278554332130 0.10004962432067 35.453 > 89 90 Cl 0.52137581642921 0.08278554332130 0.10004962432067 35.453 > 89 91 Cl 0.02137581642921 0.58278554332130 0.10004962432067 35.453 > 89 92 Cl 0.52137581642921 0.58278554332130 0.10004962432067 35.453 > 89 93 Cl 0.22981963050241 0.08788750559756 0.08464409909850 35.453 > 93 94 Cl 0.72981963050240 0.08788750559756 0.08464409909850 35.453 > 93 95 Cl 0.22981963050241 0.58788750559756 0.08464409909850 35.453 > 93 96 Cl 0.72981963050240 0.58788750559756 0.08464409909850 35.453 > 93 97 Cl 0.27018036949759 0.33788750559756 0.41535590090150 35.453 > 97 98 Cl 0.77018036949760 0.33788750559756 0.41535590090150 35.453 > 97 99 Cl 0.27018036949759 0.83788750559756 0.41535590090150 35.453 > 97 100 Cl 0.77018036949760 0.83788750559756 0.41535590090150 35.453 > 97 101 Cl 0.11203679463717 0.07928195005207 0.81324043105676 35.453 > 101 102 Cl 0.61203679463717 0.07928195005207 0.81324043105676 35.453 > 101 103 Cl 0.11203679463717 0.57928195005207 0.81324043105676 35.453 > 101 104 Cl 0.61203679463717 0.57928195005207 0.81324043105676 35.453 > 101 105 Cl 0.11630866566545 0.40467474388197 0.22034477973735 35.453 > 105 106 Cl 0.61630866566545 0.40467474388197 0.22034477973735 35.453 > 105 107 Cl 0.11630866566545 0.90467474388197 0.22034477973735 35.453 > 105 108 Cl 0.61630866566545 0.90467474388197 0.22034477973735 35.453 > 105 109 Cl 0.38901097588449 0.22885193937754 0.00176920907153 35.453 > 109 110 Cl 0.88901097588449 0.22885193937754 0.00176920907153 35.453 > 109 111 Cl 0.38901097588449 0.72885193937754 0.00176920907153 35.453 > 109 112 Cl 0.88901097588449 0.72885193937754 0.00176920907153 35.453 > 109 113 Cl 0.38796320536283 0.32928195005207 0.68675956894324 35.453 > 113 114 Cl 0.88796320536283 0.32928195005207 0.68675956894324 35.453 > 113 115 Cl 0.38796320536283 0.82928195005207 0.68675956894324 35.453 > 113 116 Cl 0.88796320536283 0.82928195005207 0.68675956894324 35.453 > 113 117 Cl 0.11630866566545 0.34532525611803 0.72034477973735 35.453 > 117 118 Cl 0.61630866566545 0.34532525611803 0.72034477973735 35.453 > 117 119 Cl 0.11630866566545 0.84532525611803 0.72034477973735 35.453 > 117 120 Cl 0.61630866566545 0.84532525611803 0.72034477973735 35.453 > 117 121 Cl 0.47862418357079 0.41721445667870 0.89995037567933 35.453 > 121 122 Cl 0.97862418357079 0.41721445667870 0.89995037567933 35.453 > 121 123 Cl 0.47862418357079 0.91721445667870 0.89995037567933 35.453 > 121 124 Cl 0.97862418357079 0.91721445667870 0.89995037567933 35.453 > 121 125 Cl 0.27018036949759 0.41211249440244 0.91535590090150 35.453 > 125 126 Cl 0.77018036949760 0.41211249440244 0.91535590090150 35.453 > 125 127 Cl 0.27018036949759 0.91211249440244 0.91535590090150 35.453 > 125 128 Cl 0.77018036949760 0.91211249440244 0.91535590090150 35.453 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1780035 0.0000000 -0.0048927 0.0000000 4.3140771 0.0000000 -0.0048959 0.0000000 4.3921032-------------------------- Born effective charges -------------------------- 1 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 2 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 3 K 1.5883334 -0.0703541 -0.0164307 -0.0504585 1.2669769 -0.0162139 0.0249129 0.1033216 1.2489859 4 K 1.5883334 0.0703541 -0.0164307 0.0504585 1.2669769 0.0162139 0.0249129 -0.1033216 1.2489859 5 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 6 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 7 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 8 Pb 2.5559898 -0.1053971 0.0114660 -0.4029655 3.6019405 -0.2747646 -0.0353742 -0.0492615 3.8474302 9 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 10 Pb 2.5559898 0.1053971 0.0114660 0.4029655 3.6019405 0.2747646 -0.0353742 0.0492615 3.8474302 11 Pb 3.8808138 -0.2377367 -0.0085661 -0.0785827 3.1754399 0.1802870 0.0215945 0.1114096 3.2841422 12 Pb 3.8808138 0.2377367 -0.0085661 0.0785827 3.1754399 -0.1802870 0.0215945 -0.1114096 3.2841422 13 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 14 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 15 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 16 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 17 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 18 Cl -1.4024928 0.2644831 0.0432576 0.3567451 -1.4376099 -0.0560088 0.0487563 0.0994581 -1.9456475 19 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 20 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 21 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 22 Cl -1.5770741 -0.2613075 0.0421672 -0.1878515 -2.0404296 0.4057634 0.0459021 0.4837433 -1.7668652 23 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 24 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459 25 Cl -2.3861000 0.3352896 0.0596621 0.1790968 -1.2365361 0.3474587 0.0678728 0.3342600 -1.0057459 26 Cl -1.2793859 0.0162387 -0.4278406 0.0910837 -1.7012143 0.2856214 -0.5937386 0.2446948 -1.7516596 27 Cl -1.3800843 0.0076238 0.2962846 -0.0222790 -1.6285674 0.0721081 0.4200742 -0.1072291 -1.9106401 28 Cl -1.4024928 -0.2644831 0.0432576 -0.3567451 -1.4376099 0.0560088 0.0487563 -0.0994581 -1.9456475 29 Cl -1.2793859 -0.0162387 -0.4278406 -0.0910837 -1.7012143 -0.2856214 -0.5937386 -0.2446948 -1.7516596 30 Cl -1.3800843 -0.0076238 0.2962846 0.0222790 -1.6285674 -0.0721081 0.4200742 0.1072291 -1.9106401 31 Cl -1.5770741 0.2613075 0.0421672 0.1878515 -2.0404296 -0.4057634 0.0459021 -0.4837433 -1.7668652 32 Cl -2.3861000 -0.3352896 0.0596621 -0.1790968 -1.2365361 -0.3474587 0.0678728 -0.3342600 -1.0057459----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 6 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 319, Lambda: 0.09Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/56) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.925 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.048 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.165 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.624 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/56) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.295 ( 15.081 0.000 -0.904) 15.108 0.323 ( 16.384 0.000 -0.440) 16.390 0.572 ( 28.083 0.000 0.047) 28.083 0.930 ( 0.723 0.000 0.413) 0.833 0.989 ( -1.750 0.000 6.549) 6.779 1.051 ( -0.988 0.000 -5.833) 5.916 1.127 ( 1.561 0.000 -0.235) 1.579 1.144 ( -0.899 0.000 -8.150) 8.200 1.159 ( -0.017 0.000 -0.437) 0.438 1.187 ( 1.138 0.000 7.121) 7.211 1.247 ( 2.543 0.000 0.359) 2.569 1.264 ( -0.907 0.000 1.352) 1.628 1.302 ( -2.576 0.000 -3.055) 3.996 1.379 ( -3.783 0.000 -5.194) 6.425 1.390 ( 3.084 0.000 -3.582) 4.727 1.457 ( 3.253 0.000 4.994) 5.960 1.506 ( -0.134 0.000 1.918) 1.922 1.598 ( 1.233 0.000 3.865) 4.057 1.653 ( 3.954 0.000 -0.618) 4.002 1.785 ( 4.372 0.000 4.946) 6.601 1.798 ( 5.957 0.000 2.430) 6.434 1.899 ( 3.488 0.000 -3.838) 5.186 1.913 ( -0.859 0.000 -7.727) 7.775 1.961 ( -3.907 0.000 5.608) 6.835 1.992 ( 1.164 0.000 -2.090) 2.392 2.111 ( -1.182 0.000 -0.740) 1.395 2.158 ( 0.920 0.000 2.894) 3.037 2.178 ( -5.221 0.000 -6.563) 8.386 2.261 ( 4.769 0.000 1.137) 4.903 2.278 ( 0.561 0.000 6.150) 6.176 2.341 ( -0.553 0.000 3.665) 3.707 2.389 ( 0.753 0.000 -1.606) 1.774 2.465 ( -1.378 0.000 -0.669) 1.531 2.528 ( 2.894 0.000 -6.341) 6.970 2.593 ( -3.251 0.000 -2.821) 4.304 2.676 ( -1.361 0.000 -0.804) 1.581 2.676 ( -3.676 0.000 3.976) 5.415 2.727 ( 0.852 0.000 1.431) 1.666 2.751 ( 2.185 0.000 -0.397) 2.220 2.905 ( -1.198 0.000 1.725) 2.100 3.018 ( -1.047 0.000 4.023) 4.157 3.042 ( -4.873 0.000 0.057) 4.874 3.097 ( -0.839 0.000 1.133) 1.410 3.108 ( -2.647 0.000 -0.769) 2.757 3.199 ( -2.235 0.000 -2.173) 3.117 3.235 ( -1.891 0.000 -0.252) 1.908 3.276 ( -0.107 0.000 -0.971) 0.977 3.299 ( 0.974 0.000 -1.647) 1.914 3.304 ( -1.156 0.000 3.986) 4.151 3.398 ( -1.329 0.000 -0.224) 1.348 3.453 ( -0.136 0.000 1.854) 1.859 3.474 ( 8.120 0.000 -0.326) 8.127 3.519 ( 0.653 0.000 -0.792) 1.026 3.535 ( -1.969 0.000 -0.340) 1.998 3.681 ( -3.062 0.000 -3.179) 4.414 3.746 ( -0.183 0.000 -1.501) 1.512 3.748 ( -0.543 0.000 0.957) 1.101 3.770 ( -0.288 0.000 2.101) 2.121 3.803 ( -0.649 0.000 1.650) 1.773 3.834 ( 2.903 0.000 -0.560) 2.956 3.870 ( -5.114 0.000 -4.797) 7.012 3.894 ( 1.251 0.000 3.551) 3.765 3.967 ( 2.159 0.000 0.170) 2.166 4.020 ( 0.509 0.000 -0.089) 0.516 4.063 ( -0.197 0.000 2.938) 2.945 4.127 ( 0.229 0.000 0.600) 0.642 4.186 ( 0.748 0.000 -2.379) 2.493 4.222 ( -3.903 0.000 -1.570) 4.207 4.278 ( -3.447 0.000 -2.594) 4.314 4.346 ( -1.396 0.000 2.110) 2.530 4.500 ( 2.692 0.000 -1.798) 3.238 4.529 ( -7.483 0.000 -3.810) 8.397 4.538 ( 1.591 0.000 5.494) 5.719 4.586 ( 0.344 0.000 3.926) 3.941 4.693 ( 3.737 0.000 -1.075) 3.889 4.704 ( 2.876 0.000 3.970) 4.902 4.718 ( 0.001 0.000 -0.981) 0.981 4.764 ( -0.696 0.000 -2.891) 2.973 4.796 ( -1.908 0.000 -1.707) 2.560 4.897 ( 2.524 0.000 3.871) 4.621 4.926 ( -2.370 0.000 2.518) 3.458 4.986 ( 4.270 0.000 0.849) 4.353 5.098 ( -0.157 0.000 -2.931) 2.935 5.159 ( 2.887 0.000 -0.660) 2.962 5.181 ( 1.178 0.000 -0.701) 1.371 5.329 ( 4.320 0.000 0.069) 4.320 5.564 ( -0.553 0.000 -0.197) 0.587 5.798 ( 0.769 0.000 0.812) 1.118 5.830 ( -2.844 0.000 -0.244) 2.854 5.866 ( -0.017 0.000 0.721) 0.721 6.056 ( -0.530 0.000 2.713) 2.764 6.141 ( -0.733 0.000 -5.024) 5.077 6.252 ( 0.016 0.000 -2.198) 2.198 6.365 ( -1.742 0.000 0.611) 1.846 6.381 ( -1.355 0.000 -1.475) 2.003 6.411 ( -0.181 0.000 0.039) 0.185======================= Grid point 2 (3/56) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 11.988 0.000 -1.066) 12.035 0.603 ( 12.343 0.000 -0.056) 12.343 0.910 ( 2.421 0.000 0.738) 2.531 0.952 ( -2.299 0.000 1.889) 2.976 1.041 ( 0.787 0.000 -0.989) 1.264 1.049 ( 13.638 0.000 1.123) 13.684 1.134 ( -0.103 0.000 -5.746) 5.747 1.146 ( -0.475 0.000 0.533) 0.714 1.152 ( 0.043 0.000 -1.288) 1.289 1.201 ( -1.464 0.000 2.592) 2.977 1.219 ( -4.693 0.000 -2.868) 5.500 1.230 ( -2.546 0.000 -2.603) 3.641 1.295 ( 1.192 0.000 3.593) 3.785 1.326 ( 3.706 0.000 1.752) 4.099 1.454 ( 3.133 0.000 -4.509) 5.491 1.534 ( 2.377 0.000 2.369) 3.356 1.537 ( 3.618 0.000 0.412) 3.641 1.679 ( 6.169 0.000 3.707) 7.197 1.745 ( 4.709 0.000 -1.566) 4.963 1.841 ( -5.837 0.000 5.996) 8.368 1.859 ( 3.153 0.000 4.441) 5.447 1.881 ( -1.447 0.000 -3.822) 4.086 1.940 ( 4.498 0.000 -1.737) 4.822 1.950 ( 0.847 0.000 -7.450) 7.498 2.005 ( -2.327 0.000 -1.824) 2.957 2.061 ( -3.047 0.000 -3.629) 4.739 2.111 ( 1.320 0.000 -1.187) 1.775 2.209 ( 3.600 0.000 2.964) 4.663 2.284 ( -0.054 0.000 4.633) 4.634 2.288 ( -2.218 0.000 5.065) 5.529 2.363 ( 2.554 0.000 2.529) 3.594 2.400 ( 0.439 0.000 -1.818) 1.871 2.453 ( 0.429 0.000 -0.456) 0.626 2.536 ( -2.147 0.000 -3.063) 3.740 2.553 ( -2.418 0.000 2.738) 3.653 2.616 ( -0.420 0.000 -2.619) 2.653 2.660 ( -0.227 0.000 -0.582) 0.624 2.749 ( 2.229 0.000 1.782) 2.853 2.791 ( 1.670 0.000 -0.825) 1.862 2.856 ( -3.271 0.000 0.564) 3.319 2.916 ( -7.261 0.000 -0.310) 7.268 2.985 ( -4.693 0.000 1.158) 4.834 3.076 ( 0.132 0.000 -0.298) 0.326 3.089 ( 0.458 0.000 -0.501) 0.679 3.176 ( 1.249 0.000 1.228) 1.752 3.206 ( -2.083 0.000 1.865) 2.795 3.255 ( -2.450 0.000 -0.000) 2.450 3.272 ( -0.399 0.000 -0.579) 0.703 3.319 ( 0.217 0.000 -2.565) 2.574 3.390 ( 0.055 0.000 0.893) 0.894 3.439 ( -2.055 0.000 3.366) 3.944 3.477 ( -2.133 0.000 -2.875) 3.580 3.532 ( 0.776 0.000 -1.237) 1.461 3.598 ( 4.279 0.000 0.614) 4.323 3.649 ( -0.439 0.000 -0.891) 0.994 3.733 ( -0.882 0.000 0.157) 0.896 3.743 ( -1.305 0.000 -2.475) 2.798 3.755 ( -0.879 0.000 0.688) 1.116 3.773 ( -2.917 0.000 1.635) 3.344 3.804 ( 0.004 0.000 -3.118) 3.118 3.871 ( 0.781 0.000 -1.532) 1.720 3.945 ( 3.176 0.000 4.580) 5.574 4.006 ( 1.638 0.000 0.050) 1.638 4.064 ( 4.175 0.000 -1.336) 4.383 4.064 ( 0.640 0.000 4.676) 4.719 4.136 ( 0.309 0.000 -3.062) 3.078 4.166 ( -1.784 0.000 -0.237) 1.800 4.187 ( -0.601 0.000 -4.633) 4.672 4.231 ( -0.893 0.000 0.920) 1.282 4.311 ( -1.660 0.000 3.750) 4.101 4.386 ( -6.766 0.000 -3.802) 7.761 4.548 ( 2.381 0.000 -3.038) 3.860 4.578 ( 2.488 0.000 5.878) 6.383 4.591 ( 0.001 0.000 4.197) 4.197 4.660 ( -3.776 0.000 -2.527) 4.544 4.693 ( -4.149 0.000 -5.319) 6.746 4.727 ( -2.170 0.000 3.004) 3.705 4.790 ( 4.153 0.000 -3.035) 5.144 4.806 ( -0.910 0.000 1.807) 2.023 4.869 ( 0.452 0.000 0.170) 0.483 4.938 ( 1.393 0.000 3.863) 4.106 5.063 ( 3.207 0.000 3.111) 4.468 5.149 ( 3.599 0.000 -2.453) 4.356 5.172 ( 0.242 0.000 1.058) 1.085 5.264 ( 5.196 0.000 -3.607) 6.326 5.384 ( 1.453 0.000 1.004) 1.766 5.531 ( -2.961 0.000 0.226) 2.969 5.770 ( -2.941 0.000 -0.240) 2.950 5.820 ( 1.192 0.000 0.051) 1.193 5.862 ( -0.285 0.000 -0.180) 0.337 6.080 ( 3.020 0.000 2.600) 3.985 6.130 ( -0.237 0.000 -1.567) 1.585 6.239 ( -0.956 0.000 -2.856) 3.011 6.321 ( -3.029 0.000 1.131) 3.233 6.348 ( -1.811 0.000 -0.375) 1.850 6.408 ( -0.129 0.000 -0.040) 0.135======================= Grid point 3 (4/56) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.693 ( 0.000 0.000 -0.000) 0.000 0.740 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 -0.000) 0.000 0.922 ( 0.000 0.000 -0.000) 0.000 1.080 ( -0.000 0.000 -0.000) 0.000 1.105 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 -0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.162 ( -0.000 0.000 -0.000) 0.000 1.240 ( 0.000 0.000 -0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 -0.000) 0.000 1.487 ( 0.000 0.000 -0.000) 0.000 1.560 ( 0.000 0.000 -0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 -0.000) 0.000 1.740 ( 0.000 0.000 -0.000) 0.000 1.829 ( -0.000 0.000 -0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 -0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 -0.000) 0.000 2.267 ( 0.000 0.000 -0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 -0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 -0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 -0.000) 0.000 2.822 ( -0.000 0.000 -0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 -0.000) 0.000 3.240 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 -0.000) 0.000 3.391 ( 0.000 0.000 -0.000) 0.000 3.407 ( 0.000 0.000 -0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 -0.000) 0.000 3.642 ( 0.000 0.000 -0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 -0.000) 0.000 3.755 ( 0.000 0.000 -0.000) 0.000 3.812 ( 0.000 0.000 -0.000) 0.000 3.877 ( 0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 -0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 -0.000) 0.000 4.187 ( 0.000 0.000 -0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 -0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.591 ( -0.000 0.000 -0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 -0.000) 0.000 4.643 ( -0.000 0.000 -0.000) 0.000 4.673 ( 0.000 0.000 -0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 -0.000) 0.000 5.177 ( 0.000 0.000 -0.000) 0.000 5.189 ( 0.000 0.000 -0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 -0.000) 0.000 5.859 ( 0.000 0.000 -0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 -0.000) 0.000 6.255 ( -0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 -0.000) 0.000 6.407 ( 0.000 0.000 -0.000) 0.000======================= Grid point 7 (5/56) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.329 ( 0.000 14.843 0.000) 14.843 0.373 ( 0.000 17.000 0.000) 17.000 0.581 ( 0.000 24.542 0.000) 24.542 0.960 ( 0.000 3.399 0.000) 3.399 1.029 ( 0.000 0.324 0.000) 0.324 1.058 ( 0.000 0.824 0.000) 0.824 1.084 ( 0.000 -2.435 0.000) 2.435 1.114 ( 0.000 -2.922 0.000) 2.922 1.156 ( 0.000 -0.780 0.000) 0.780 1.187 ( 0.000 0.018 0.000) 0.018 1.229 ( 0.000 0.364 0.000) 0.364 1.271 ( 0.000 -0.123 0.000) 0.123 1.318 ( 0.000 -1.943 0.000) 1.943 1.377 ( 0.000 0.858 0.000) 0.858 1.439 ( 0.000 -2.508 0.000) 2.508 1.466 ( 0.000 -4.019 0.000) 4.019 1.544 ( 0.000 1.674 0.000) 1.674 1.587 ( 0.000 -2.672 0.000) 2.672 1.646 ( 0.000 4.799 0.000) 4.799 1.683 ( 0.000 -5.007 0.000) 5.007 1.708 ( 0.000 -0.420 0.000) 0.420 1.792 ( 0.000 -3.245 0.000) 3.245 1.925 ( 0.000 -2.821 0.000) 2.821 1.970 ( 0.000 1.285 0.000) 1.285 1.977 ( 0.000 -7.647 0.000) 7.647 2.132 ( 0.000 -4.758 0.000) 4.758 2.136 ( 0.000 3.962 0.000) 3.962 2.182 ( 0.000 -1.804 0.000) 1.804 2.200 ( 0.000 -1.561 0.000) 1.561 2.338 ( 0.000 -2.647 0.000) 2.647 2.341 ( 0.000 -1.980 0.000) 1.980 2.363 ( 0.000 7.362 0.000) 7.362 2.412 ( 0.000 -3.736 0.000) 3.736 2.575 ( 0.000 4.466 0.000) 4.466 2.635 ( 0.000 0.556 0.000) 0.556 2.664 ( 0.000 1.035 0.000) 1.035 2.731 ( 0.000 0.676 0.000) 0.676 2.753 ( 0.000 1.418 0.000) 1.418 2.860 ( 0.000 2.759 0.000) 2.759 2.986 ( 0.000 -6.066 0.000) 6.066 3.018 ( 0.000 -4.242 0.000) 4.242 3.066 ( 0.000 0.150 0.000) 0.150 3.078 ( 0.000 -10.522 0.000) 10.522 3.155 ( 0.000 3.059 0.000) 3.059 3.172 ( 0.000 -1.130 0.000) 1.130 3.208 ( 0.000 -3.049 0.000) 3.049 3.233 ( 0.000 -1.231 0.000) 1.231 3.254 ( 0.000 -4.598 0.000) 4.598 3.389 ( 0.000 0.284 0.000) 0.284 3.408 ( 0.000 -0.036 0.000) 0.036 3.424 ( 0.000 -6.391 0.000) 6.391 3.494 ( 0.000 1.768 0.000) 1.768 3.504 ( 0.000 3.013 0.000) 3.013 3.556 ( 0.000 2.042 0.000) 2.042 3.679 ( 0.000 -4.328 0.000) 4.328 3.704 ( 0.000 -3.396 0.000) 3.396 3.714 ( 0.000 -1.626 0.000) 1.626 3.762 ( 0.000 3.478 0.000) 3.478 3.796 ( 0.000 -1.638 0.000) 1.638 3.870 ( 0.000 3.561 0.000) 3.561 3.900 ( 0.000 0.500 0.000) 0.500 3.922 ( 0.000 6.508 0.000) 6.508 4.007 ( 0.000 2.036 0.000) 2.036 4.022 ( 0.000 2.196 0.000) 2.196 4.077 ( 0.000 1.376 0.000) 1.376 4.149 ( 0.000 0.717 0.000) 0.717 4.212 ( 0.000 0.673 0.000) 0.673 4.243 ( 0.000 5.530 0.000) 5.530 4.323 ( 0.000 -1.300 0.000) 1.300 4.384 ( 0.000 0.783 0.000) 0.783 4.440 ( 0.000 -2.366 0.000) 2.366 4.482 ( 0.000 -4.686 0.000) 4.686 4.508 ( 0.000 -2.796 0.000) 2.796 4.571 ( 0.000 -3.465 0.000) 3.465 4.617 ( 0.000 1.509 0.000) 1.509 4.652 ( 0.000 -3.439 0.000) 3.439 4.699 ( 0.000 0.991 0.000) 0.991 4.757 ( 0.000 -2.142 0.000) 2.142 4.808 ( 0.000 1.431 0.000) 1.431 4.851 ( 0.000 -0.608 0.000) 0.608 4.985 ( 0.000 4.974 0.000) 4.974 5.038 ( 0.000 2.597 0.000) 2.597 5.096 ( 0.000 3.635 0.000) 3.635 5.106 ( 0.000 -2.751 0.000) 2.751 5.267 ( 0.000 3.226 0.000) 3.226 5.309 ( 0.000 4.207 0.000) 4.207 5.546 ( 0.000 -1.827 0.000) 1.827 5.637 ( 0.000 -1.236 0.000) 1.236 5.767 ( 0.000 -2.060 0.000) 2.060 5.828 ( 0.000 -1.668 0.000) 1.668 5.887 ( 0.000 -0.580 0.000) 0.580 6.110 ( 0.000 4.211 0.000) 4.211 6.168 ( 0.000 -5.988 0.000) 5.988 6.236 ( 0.000 3.737 0.000) 3.737 6.439 ( 0.000 1.201 0.000) 1.201 6.677 ( 0.000 -4.497 0.000) 4.497======================= Grid point 8 (6/56) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.424 ( 8.182 10.761 2.410) 13.731 0.435 ( 8.877 10.587 -4.028) 14.391 0.772 ( 12.815 11.487 1.063) 17.242 0.971 ( 0.633 3.201 -0.041) 3.264 1.015 ( -0.345 2.384 3.780) 4.482 1.058 ( 1.192 2.151 -2.897) 3.800 1.097 ( 0.325 -2.022 -2.785) 3.457 1.127 ( 1.939 -0.840 -2.079) 2.964 1.166 ( 0.813 -1.803 5.407) 5.757 1.176 ( -0.947 0.499 0.035) 1.071 1.250 ( -0.446 -0.105 -0.964) 1.067 1.260 ( 0.404 0.094 0.119) 0.432 1.301 ( -2.491 -0.777 -1.981) 3.276 1.378 ( -1.089 -0.148 -4.317) 4.454 1.416 ( 0.979 0.630 -2.309) 2.586 1.487 ( 1.994 0.316 2.688) 3.362 1.514 ( 0.423 -0.564 1.000) 1.223 1.615 ( 3.893 -2.554 0.640) 4.700 1.633 ( -0.049 3.522 2.236) 4.173 1.729 ( 3.564 -5.369 1.639) 6.650 1.737 ( 1.347 -2.843 2.233) 3.858 1.830 ( 4.063 -3.327 -0.203) 5.255 1.913 ( -0.764 -3.520 -1.475) 3.892 1.932 ( -1.647 -0.799 -5.097) 5.415 2.047 ( 3.880 -4.282 2.887) 6.459 2.093 ( -2.317 1.083 -4.833) 5.468 2.140 ( -2.761 -0.421 1.206) 3.042 2.170 ( -0.906 -3.412 5.203) 6.287 2.192 ( 0.765 1.814 0.241) 1.983 2.328 ( 0.374 0.268 1.667) 1.730 2.339 ( 0.039 -1.377 2.214) 2.607 2.362 ( 1.394 -0.369 -1.739) 2.259 2.486 ( 3.369 -1.721 -3.325) 5.037 2.545 ( -2.058 5.158 -0.452) 5.572 2.620 ( -1.562 1.064 -0.074) 1.891 2.664 ( -0.975 2.204 1.365) 2.770 2.744 ( 0.157 0.934 0.405) 1.030 2.750 ( 1.224 1.289 0.117) 1.781 2.835 ( -2.811 5.219 -1.050) 6.020 2.938 ( -2.973 -1.378 -0.317) 3.292 2.990 ( -2.171 -3.403 -1.485) 4.301 3.037 ( -3.319 -3.720 3.138) 5.890 3.052 ( -2.537 -3.342 0.017) 4.196 3.091 ( -2.815 0.465 0.957) 3.009 3.150 ( -1.248 -3.824 -0.665) 4.077 3.200 ( -0.769 -2.004 -0.044) 2.147 3.237 ( -0.241 1.623 -2.218) 2.759 3.293 ( -1.373 -1.029 3.724) 4.100 3.365 ( -0.198 0.021 0.671) 0.700 3.388 ( -1.933 -2.603 -1.008) 3.395 3.416 ( 1.801 0.431 1.535) 2.405 3.461 ( -2.225 0.080 -0.841) 2.380 3.486 ( 4.196 0.175 -1.425) 4.434 3.557 ( 0.013 2.102 -0.576) 2.180 3.638 ( -2.513 -3.446 -2.004) 4.712 3.688 ( -0.209 -3.955 -2.380) 4.621 3.732 ( 0.726 -0.834 2.773) 2.985 3.788 ( -0.310 -1.853 3.734) 4.180 3.810 ( -0.070 0.949 -1.427) 1.715 3.878 ( -0.097 2.283 -1.883) 2.961 3.894 ( -0.361 1.022 -0.073) 1.086 3.948 ( 2.080 6.533 1.037) 6.934 3.977 ( -0.609 0.244 -0.362) 0.749 4.028 ( -1.469 1.026 0.245) 1.809 4.072 ( -1.166 0.849 4.471) 4.698 4.131 ( -3.017 0.101 -3.356) 4.514 4.199 ( -0.890 -0.099 -0.217) 0.921 4.245 ( -4.066 -1.186 -0.219) 4.241 4.254 ( 0.496 4.289 -1.641) 4.619 4.371 ( -1.580 -0.814 2.255) 2.871 4.420 ( -5.636 -7.241 -1.072) 9.239 4.494 ( 2.060 -2.225 -0.239) 3.042 4.517 ( 1.539 -0.359 -1.277) 2.031 4.597 ( 1.048 0.518 3.042) 3.259 4.611 ( 1.894 -1.731 -0.695) 2.659 4.692 ( 2.004 -0.672 -1.141) 2.402 4.713 ( 1.140 -1.404 2.699) 3.249 4.764 ( 0.780 -0.475 -0.751) 1.183 4.852 ( 0.558 2.401 1.973) 3.157 4.889 ( 5.790 -0.058 -0.809) 5.846 4.971 ( -0.775 5.582 -0.314) 5.644 5.085 ( 3.734 2.883 -1.834) 5.062 5.111 ( 0.865 -1.270 0.893) 1.777 5.156 ( 4.367 1.301 -1.060) 4.679 5.202 ( -3.667 5.344 0.552) 6.504 5.335 ( 2.083 0.618 -0.046) 2.173 5.543 ( -0.591 -1.967 -0.682) 2.164 5.758 ( 0.214 -3.839 1.569) 4.153 5.810 ( 0.519 -2.615 -0.773) 2.776 5.838 ( 5.547 -4.497 -0.157) 7.143 5.907 ( 4.715 -5.377 -1.874) 7.393 6.087 ( -1.483 0.301 3.933) 4.214 6.187 ( 1.156 -1.588 -1.524) 2.486 6.235 ( -0.181 1.762 -1.288) 2.190 6.432 ( -0.690 0.939 -0.180) 1.180 6.586 ( -7.461 -0.128 -0.752) 7.500======================= Grid point 9 (7/56) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( 10.753 2.842 -1.250) 11.192 0.624 ( 9.697 5.687 -0.396) 11.249 0.903 ( 2.249 0.141 0.387) 2.287 0.966 ( -1.391 1.326 3.034) 3.591 0.991 ( -1.254 -1.583 -0.560) 2.095 1.082 ( -1.253 -2.649 -1.349) 3.226 1.125 ( 0.976 1.151 -1.342) 2.020 1.157 ( -1.134 -0.043 0.997) 1.511 1.170 ( -1.128 -2.482 2.000) 3.381 1.180 ( -2.818 1.279 1.022) 3.259 1.197 ( -0.439 1.691 -4.366) 4.703 1.272 ( 3.315 4.224 -1.428) 5.556 1.341 ( 1.989 2.884 2.730) 4.442 1.361 ( 6.173 2.533 -0.846) 6.726 1.441 ( 2.112 -1.088 -3.694) 4.391 1.530 ( 1.974 -1.183 -0.971) 2.498 1.602 ( 4.604 2.293 -0.097) 5.145 1.651 ( 0.790 -1.214 2.121) 2.568 1.705 ( 4.772 -0.930 3.886) 6.224 1.767 ( 3.118 -2.398 0.755) 4.006 1.785 ( 1.106 -6.833 1.810) 7.155 1.885 ( 0.839 -3.474 -0.547) 3.616 1.911 ( -0.686 -2.409 -2.454) 3.506 1.926 ( 2.658 -3.725 -1.926) 4.965 2.018 ( -5.059 0.896 -4.672) 6.944 2.073 ( -0.500 1.030 -1.286) 1.722 2.126 ( -0.747 0.678 2.657) 2.842 2.146 ( 1.026 -5.279 3.927) 6.659 2.233 ( 2.645 1.009 0.105) 2.833 2.340 ( 0.977 -3.278 0.467) 3.452 2.352 ( 0.946 0.418 3.073) 3.243 2.391 ( 1.399 0.095 -0.544) 1.504 2.485 ( -1.677 3.434 -2.025) 4.325 2.507 ( -3.627 -0.015 -2.506) 4.408 2.602 ( -1.482 3.952 4.757) 6.360 2.660 ( 3.176 3.399 -1.056) 4.770 2.741 ( -0.403 -0.022 1.623) 1.673 2.781 ( -0.026 5.601 -1.030) 5.695 2.792 ( 0.482 0.929 -2.002) 2.259 2.881 ( -3.611 1.072 -0.797) 3.851 2.928 ( -4.984 0.810 0.434) 5.068 2.961 ( -4.474 -1.550 0.708) 4.788 3.003 ( -0.932 -5.786 -0.138) 5.863 3.071 ( 0.710 -1.661 2.692) 3.242 3.145 ( 0.084 -4.349 1.300) 4.540 3.188 ( -0.789 0.598 -1.473) 1.775 3.225 ( -3.089 -3.094 -1.253) 4.548 3.247 ( 0.342 -0.745 0.631) 1.035 3.349 ( -1.757 3.062 -1.717) 3.926 3.372 ( -0.386 -3.150 -0.085) 3.174 3.416 ( -1.347 0.905 0.865) 1.839 3.469 ( 2.818 0.207 -0.289) 2.841 3.555 ( -0.144 0.389 -2.183) 2.222 3.589 ( 4.664 -0.784 0.233) 4.736 3.608 ( -0.840 -1.685 -0.194) 1.893 3.694 ( 0.687 -3.448 -1.044) 3.667 3.736 ( 0.291 -1.065 0.710) 1.312 3.774 ( -0.985 0.081 1.421) 1.731 3.814 ( 0.198 -0.501 3.716) 3.755 3.849 ( -0.853 3.524 -1.072) 3.781 3.894 ( -0.497 1.234 -1.605) 2.085 3.927 ( -3.698 2.533 -0.490) 4.509 3.994 ( 1.523 -3.940 -0.936) 4.327 4.021 ( 0.315 -0.187 -2.550) 2.576 4.050 ( -1.418 -3.236 4.574) 5.779 4.071 ( -1.064 -1.042 0.004) 1.489 4.180 ( -2.054 -1.768 0.103) 2.712 4.209 ( 1.101 1.819 -0.903) 2.310 4.253 ( -1.137 2.782 -1.698) 3.452 4.301 ( -4.494 -5.919 -0.202) 7.434 4.342 ( -1.994 -0.334 0.430) 2.067 4.511 ( -0.006 -0.178 1.330) 1.342 4.561 ( 0.865 -0.315 0.548) 1.071 4.591 ( -0.019 0.783 -2.365) 2.491 4.640 ( 2.628 -0.317 3.818) 4.646 4.732 ( 0.851 -2.876 0.620) 3.063 4.743 ( 0.555 3.440 -3.399) 4.868 4.791 ( 1.603 3.081 0.611) 3.527 4.861 ( 1.138 0.667 0.927) 1.612 4.951 ( -1.261 5.444 -1.473) 5.779 4.961 ( 1.311 4.107 1.672) 4.624 5.131 ( 1.060 -0.113 -0.318) 1.112 5.135 ( -0.139 3.544 1.644) 3.910 5.173 ( 1.553 0.283 0.796) 1.768 5.252 ( 5.505 -0.373 -3.205) 6.381 5.375 ( 1.795 -0.636 0.222) 1.917 5.513 ( -2.518 -1.573 -0.003) 2.969 5.732 ( -2.388 -3.033 0.093) 3.862 5.807 ( 0.617 -1.740 -0.561) 1.929 5.886 ( 1.494 1.816 0.585) 2.423 6.027 ( 5.006 -8.309 -0.427) 9.710 6.073 ( 0.256 -3.616 1.405) 3.888 6.176 ( -2.540 -0.757 1.983) 3.310 6.246 ( 1.742 0.165 -3.228) 3.671 6.419 ( -0.502 0.500 -0.181) 0.731 6.446 ( -6.731 1.152 -0.142) 6.831======================= Grid point 10 (8/56) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( -0.000 3.656 -0.000) 3.656 0.757 ( -0.000 2.273 -0.000) 2.273 0.924 ( -0.000 -1.903 0.000) 1.903 0.931 ( 0.000 0.819 -0.000) 0.819 0.971 ( -0.000 -3.993 -0.000) 3.993 1.062 ( 0.000 -1.570 0.000) 1.570 1.110 ( 0.000 -1.215 -0.000) 1.215 1.135 ( -0.000 0.740 -0.000) 0.740 1.146 ( -0.000 -0.536 -0.000) 0.536 1.161 ( 0.000 -0.768 0.000) 0.768 1.194 ( 0.000 3.137 0.000) 3.137 1.283 ( -0.000 3.803 -0.000) 3.803 1.381 ( 0.000 1.270 0.000) 1.270 1.461 ( -0.000 -1.677 -0.000) 1.677 1.492 ( -0.000 2.888 -0.000) 2.888 1.560 ( -0.000 -1.022 -0.000) 1.022 1.615 ( -0.000 0.240 0.000) 0.240 1.658 ( 0.000 -1.465 -0.000) 1.465 1.770 ( 0.000 -1.333 -0.000) 1.333 1.792 ( -0.000 0.562 0.000) 0.562 1.804 ( -0.000 -2.441 0.000) 2.441 1.871 ( 0.000 -5.622 0.000) 5.622 1.921 ( -0.000 -3.886 0.000) 3.886 1.955 ( -0.000 0.581 0.000) 0.581 1.965 ( 0.000 -3.680 -0.000) 3.680 2.071 ( 0.000 3.876 -0.000) 3.876 2.098 ( 0.000 -2.398 0.000) 2.398 2.175 ( 0.000 -2.094 0.000) 2.094 2.264 ( -0.000 -2.938 -0.000) 2.938 2.361 ( 0.000 -4.522 0.000) 4.522 2.362 ( -0.000 3.671 -0.000) 3.671 2.404 ( 0.000 0.149 -0.000) 0.149 2.456 ( -0.000 1.283 0.000) 1.283 2.465 ( -0.000 2.317 -0.000) 2.317 2.579 ( 0.000 4.328 0.000) 4.328 2.724 ( 0.000 5.199 0.000) 5.199 2.725 ( -0.000 2.797 -0.000) 2.797 2.794 ( -0.000 -1.141 0.000) 1.141 2.796 ( 0.000 0.724 0.000) 0.724 2.835 ( 0.000 2.240 -0.000) 2.240 2.853 ( -0.000 1.533 0.000) 1.533 2.909 ( 0.000 1.314 0.000) 1.314 3.001 ( 0.000 -6.719 -0.000) 6.719 3.088 ( 0.000 -0.916 -0.000) 0.916 3.132 ( 0.000 -2.004 0.000) 2.004 3.182 ( 0.000 -2.744 -0.000) 2.744 3.190 ( 0.000 -5.439 0.000) 5.439 3.261 ( -0.000 -0.254 -0.000) 0.254 3.326 ( 0.000 4.093 -0.000) 4.093 3.364 ( 0.000 -2.206 0.000) 2.206 3.408 ( 0.000 1.128 0.000) 1.128 3.506 ( 0.000 2.399 -0.000) 2.399 3.552 ( 0.000 -1.644 0.000) 1.644 3.595 ( -0.000 -0.681 0.000) 0.681 3.636 ( 0.000 0.288 -0.000) 0.288 3.701 ( 0.000 -1.752 -0.000) 1.752 3.747 ( 0.000 -2.220 0.000) 2.220 3.761 ( -0.000 -0.245 -0.000) 0.245 3.806 ( 0.000 5.631 0.000) 5.631 3.868 ( 0.000 -7.605 0.000) 7.605 3.876 ( 0.000 5.544 -0.000) 5.544 3.884 ( -0.000 0.822 -0.000) 0.822 3.993 ( 0.000 -6.139 -0.000) 6.139 4.030 ( 0.000 -3.402 -0.000) 3.402 4.030 ( -0.000 -4.033 0.000) 4.033 4.077 ( -0.000 -1.513 0.000) 1.513 4.164 ( 0.000 -2.135 0.000) 2.135 4.216 ( 0.000 0.435 0.000) 0.435 4.227 ( 0.000 1.649 -0.000) 1.649 4.278 ( 0.000 -1.057 0.000) 1.057 4.315 ( -0.000 -0.455 -0.000) 0.455 4.508 ( 0.000 -1.162 -0.000) 1.162 4.534 ( 0.000 -0.337 -0.000) 0.337 4.638 ( -0.000 0.037 0.000) 0.037 4.695 ( -0.000 0.453 -0.000) 0.453 4.700 ( 0.000 5.024 0.000) 5.024 4.734 ( 0.000 4.837 -0.000) 4.837 4.812 ( -0.000 3.230 -0.000) 3.230 4.878 ( 0.000 -1.583 0.000) 1.583 4.927 ( 0.000 6.016 0.000) 6.016 4.979 ( 0.000 3.878 0.000) 3.878 5.123 ( -0.000 1.884 0.000) 1.884 5.144 ( 0.000 -2.158 -0.000) 2.158 5.195 ( 0.000 -0.594 -0.000) 0.594 5.325 ( -0.000 0.352 0.000) 0.352 5.390 ( 0.000 -0.337 0.000) 0.337 5.476 ( -0.000 -0.919 -0.000) 0.919 5.703 ( -0.000 -2.911 0.000) 2.911 5.817 ( 0.000 -2.020 0.000) 2.020 5.903 ( -0.000 3.545 -0.000) 3.545 6.067 ( 0.000 -5.236 -0.000) 5.236 6.111 ( 0.000 -8.938 0.000) 8.938 6.120 ( 0.000 -0.168 -0.000) 0.168 6.288 ( 0.000 2.299 -0.000) 2.299 6.354 ( 0.000 -0.195 0.000) 0.195 6.415 ( 0.000 0.360 -0.000) 0.360======================= Grid point 14 (9/56) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.616 ( 0.000 11.890 0.000) 11.890 0.710 ( 0.000 14.323 0.000) 14.323 0.903 ( 0.000 4.734 0.000) 4.734 1.002 ( 0.000 -2.971 0.000) 2.971 1.026 ( 0.000 1.158 0.000) 1.158 1.071 ( 0.000 -0.185 0.000) 0.185 1.091 ( 0.000 1.202 0.000) 1.202 1.121 ( 0.000 -2.519 0.000) 2.519 1.155 ( 0.000 5.159 0.000) 5.159 1.210 ( 0.000 5.081 0.000) 5.081 1.230 ( 0.000 -1.176 0.000) 1.176 1.274 ( 0.000 -1.164 0.000) 1.164 1.286 ( 0.000 2.578 0.000) 2.578 1.366 ( 0.000 -4.628 0.000) 4.628 1.382 ( 0.000 -0.172 0.000) 0.172 1.408 ( 0.000 0.114 0.000) 0.114 1.523 ( 0.000 -2.851 0.000) 2.851 1.532 ( 0.000 -2.092 0.000) 2.092 1.601 ( 0.000 -2.450 0.000) 2.450 1.677 ( 0.000 -2.558 0.000) 2.558 1.745 ( 0.000 -0.280 0.000) 0.280 1.786 ( 0.000 4.896 0.000) 4.896 1.847 ( 0.000 -4.823 0.000) 4.823 1.847 ( 0.000 -0.595 0.000) 0.595 1.905 ( 0.000 -3.727 0.000) 3.727 2.107 ( 0.000 -0.274 0.000) 0.274 2.120 ( 0.000 -1.502 0.000) 1.502 2.167 ( 0.000 -1.254 0.000) 1.254 2.241 ( 0.000 3.330 0.000) 3.330 2.252 ( 0.000 -7.109 0.000) 7.109 2.271 ( 0.000 -3.750 0.000) 3.750 2.347 ( 0.000 -1.174 0.000) 1.174 2.514 ( 0.000 6.482 0.000) 6.482 2.628 ( 0.000 0.613 0.000) 0.613 2.653 ( 0.000 -0.624 0.000) 0.624 2.675 ( 0.000 -0.159 0.000) 0.159 2.741 ( 0.000 0.703 0.000) 0.703 2.758 ( 0.000 0.197 0.000) 0.197 2.833 ( 0.000 -6.912 0.000) 6.912 2.833 ( 0.000 -6.071 0.000) 6.071 2.958 ( 0.000 4.810 0.000) 4.810 3.016 ( 0.000 0.789 0.000) 0.789 3.060 ( 0.000 -5.715 0.000) 5.715 3.101 ( 0.000 0.004 0.000) 0.004 3.147 ( 0.000 -4.234 0.000) 4.234 3.160 ( 0.000 0.398 0.000) 0.398 3.201 ( 0.000 -3.041 0.000) 3.041 3.259 ( 0.000 -1.367 0.000) 1.367 3.286 ( 0.000 2.657 0.000) 2.657 3.391 ( 0.000 -1.506 0.000) 1.506 3.411 ( 0.000 -0.296 0.000) 0.296 3.531 ( 0.000 -2.223 0.000) 2.223 3.546 ( 0.000 1.638 0.000) 1.638 3.583 ( 0.000 0.668 0.000) 0.668 3.587 ( 0.000 -1.953 0.000) 1.953 3.645 ( 0.000 -1.402 0.000) 1.402 3.697 ( 0.000 -0.090 0.000) 0.090 3.791 ( 0.000 2.274 0.000) 2.274 3.815 ( 0.000 -0.643 0.000) 0.643 3.890 ( 0.000 -0.259 0.000) 0.259 3.981 ( 0.000 5.797 0.000) 5.797 4.024 ( 0.000 4.155 0.000) 4.155 4.068 ( 0.000 2.147 0.000) 2.147 4.089 ( 0.000 3.761 0.000) 3.761 4.103 ( 0.000 1.465 0.000) 1.465 4.142 ( 0.000 -1.399 0.000) 1.399 4.198 ( 0.000 -1.103 0.000) 1.103 4.269 ( 0.000 -4.091 0.000) 4.091 4.281 ( 0.000 -5.596 0.000) 5.596 4.323 ( 0.000 -6.160 0.000) 6.160 4.395 ( 0.000 2.840 0.000) 2.840 4.446 ( 0.000 0.221 0.000) 0.221 4.463 ( 0.000 -0.814 0.000) 0.814 4.520 ( 0.000 -2.245 0.000) 2.245 4.609 ( 0.000 0.608 0.000) 0.608 4.674 ( 0.000 3.484 0.000) 3.484 4.723 ( 0.000 -2.172 0.000) 2.172 4.739 ( 0.000 2.794 0.000) 2.794 4.791 ( 0.000 -1.776 0.000) 1.776 4.847 ( 0.000 -1.126 0.000) 1.126 5.055 ( 0.000 0.828 0.000) 0.828 5.066 ( 0.000 1.097 0.000) 1.097 5.137 ( 0.000 6.115 0.000) 6.115 5.189 ( 0.000 3.374 0.000) 3.374 5.327 ( 0.000 2.739 0.000) 2.739 5.402 ( 0.000 3.759 0.000) 3.759 5.500 ( 0.000 -2.112 0.000) 2.112 5.574 ( 0.000 -5.086 0.000) 5.086 5.730 ( 0.000 -0.712 0.000) 0.712 5.786 ( 0.000 -2.259 0.000) 2.259 5.892 ( 0.000 1.413 0.000) 1.413 6.037 ( 0.000 -5.677 0.000) 5.677 6.230 ( 0.000 6.673 0.000) 6.673 6.319 ( 0.000 3.841 0.000) 3.841 6.439 ( 0.000 -1.283 0.000) 1.283 6.548 ( 0.000 -7.184 0.000) 7.184======================= Grid point 15 (10/56) =======================q-point: ( 0.17 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 4.438 10.221 -0.164) 11.144 0.705 ( 0.543 13.349 -0.969) 13.395 0.919 ( 1.075 3.040 -0.116) 3.227 1.003 ( -0.526 -1.036 -0.999) 1.533 1.022 ( -0.181 1.570 1.820) 2.410 1.059 ( -1.338 -0.911 2.168) 2.706 1.110 ( 1.413 -0.576 3.383) 3.711 1.120 ( 0.254 -1.713 -0.524) 1.809 1.179 ( -0.509 -0.056 -1.097) 1.211 1.235 ( -1.428 -1.662 -4.200) 4.737 1.263 ( 7.233 8.216 1.218) 11.014 1.276 ( 0.524 1.923 -0.266) 2.011 1.295 ( 1.690 0.775 -0.273) 1.879 1.362 ( 0.822 -1.833 -1.975) 2.817 1.414 ( 1.446 -0.711 -2.870) 3.292 1.453 ( 4.411 0.603 -0.885) 4.539 1.496 ( -1.509 -2.173 0.224) 2.654 1.546 ( 1.294 -4.272 1.899) 4.851 1.596 ( 1.678 -3.588 -0.031) 3.962 1.692 ( 0.412 -3.929 2.361) 4.602 1.760 ( 1.853 -2.240 -0.763) 3.005 1.767 ( -0.518 4.591 2.058) 5.058 1.835 ( -1.179 -4.178 -3.415) 5.523 1.852 ( 1.349 1.351 2.878) 3.454 1.976 ( 4.808 -2.915 1.654) 5.861 2.080 ( -1.831 -0.457 -4.071) 4.487 2.099 ( -2.706 -1.560 0.679) 3.196 2.173 ( 0.021 -2.187 -0.611) 2.271 2.228 ( -1.211 -2.856 -0.517) 3.145 2.261 ( 1.306 1.682 0.895) 2.310 2.292 ( 2.034 -3.618 2.146) 4.673 2.363 ( 1.628 -0.549 -0.905) 1.942 2.526 ( 0.512 4.464 0.329) 4.505 2.617 ( -1.163 1.011 -0.063) 1.542 2.646 ( -0.006 0.023 -0.350) 0.351 2.677 ( -0.323 -0.389 -0.323) 0.600 2.761 ( 1.340 1.144 1.871) 2.570 2.767 ( 0.853 0.367 0.209) 0.952 2.817 ( 0.180 -5.294 -2.073) 5.688 2.871 ( 2.821 -6.365 4.404) 8.238 2.940 ( -2.451 3.935 -0.418) 4.655 2.989 ( -2.145 1.183 -1.561) 2.905 3.020 ( -2.968 -1.948 -2.007) 4.078 3.064 ( -2.049 -2.649 3.064) 4.539 3.122 ( -4.132 -0.696 -3.828) 5.675 3.178 ( 2.053 -0.632 0.967) 2.356 3.191 ( -1.400 -3.711 -1.457) 4.226 3.271 ( -0.469 1.356 -1.975) 2.441 3.329 ( 4.075 -1.599 0.842) 4.458 3.383 ( -1.456 -0.721 2.426) 2.919 3.405 ( 0.508 -0.823 2.886) 3.043 3.481 ( -2.035 1.744 -1.946) 3.312 3.555 ( -0.307 1.333 -0.371) 1.418 3.567 ( 0.556 -2.477 0.549) 2.598 3.587 ( -2.223 0.432 -2.276) 3.211 3.644 ( 0.235 2.038 0.879) 2.232 3.692 ( 0.520 -3.655 0.506) 3.726 3.768 ( -1.516 1.959 1.565) 2.930 3.820 ( -0.466 -0.667 -2.351) 2.488 3.895 ( -0.422 -0.672 1.768) 1.938 3.959 ( -2.325 3.162 2.380) 4.589 3.972 ( -3.827 0.577 -2.166) 4.436 4.047 ( -0.880 2.295 -1.119) 2.701 4.071 ( -3.866 0.144 0.950) 3.983 4.079 ( -0.154 2.837 4.824) 5.599 4.141 ( -3.643 0.653 -2.904) 4.704 4.196 ( -1.432 -0.855 0.158) 1.675 4.217 ( -2.513 -1.912 -0.698) 3.234 4.248 ( -3.650 -5.778 -1.626) 7.025 4.289 ( -2.788 -5.559 2.046) 6.547 4.340 ( 0.335 2.647 -0.260) 2.681 4.490 ( 4.408 -0.388 -1.599) 4.705 4.510 ( 3.308 0.838 -0.094) 3.414 4.570 ( 2.025 -1.907 1.574) 3.196 4.659 ( 1.717 3.667 0.162) 4.052 4.688 ( 3.026 0.297 -1.974) 3.625 4.708 ( -1.861 1.348 1.763) 2.896 4.753 ( 3.322 -0.863 0.498) 3.468 4.853 ( 4.135 -0.304 1.642) 4.459 4.911 ( 6.199 -0.071 -1.452) 6.367 5.063 ( 0.873 0.296 -1.575) 1.825 5.096 ( -0.289 0.814 -1.133) 1.425 5.135 ( 2.916 5.458 -0.262) 6.194 5.216 ( 1.703 2.692 -0.259) 3.196 5.328 ( -0.222 4.930 0.220) 4.940 5.366 ( -2.928 2.557 0.920) 3.995 5.487 ( -0.955 -2.894 -0.886) 3.174 5.625 ( 3.297 -7.461 0.873) 8.204 5.743 ( 1.870 -1.506 -1.272) 2.717 5.786 ( 0.363 -2.162 -0.888) 2.365 5.893 ( 0.309 1.234 0.796) 1.500 6.025 ( -1.365 -4.649 3.627) 6.052 6.234 ( 0.342 4.959 -2.506) 5.567 6.300 ( -2.111 3.423 0.313) 4.034 6.429 ( -0.944 -1.296 -0.195) 1.615 6.507 ( -3.923 -5.674 -0.218) 6.901======================= Grid point 16 (11/56) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 4.147 8.605 -1.461) 9.663 0.766 ( 5.783 6.833 -0.361) 8.959 0.924 ( -1.212 0.787 0.298) 1.475 0.985 ( -1.161 1.985 1.733) 2.879 1.010 ( -1.149 2.353 0.340) 2.640 1.031 ( -0.972 -2.304 2.095) 3.262 1.118 ( -0.835 -1.442 1.472) 2.223 1.132 ( 0.642 -0.735 -0.747) 1.229 1.151 ( -2.126 0.339 -0.767) 2.285 1.183 ( -2.231 0.083 -2.282) 3.192 1.277 ( 0.190 3.120 -0.883) 3.248 1.347 ( 3.004 1.421 1.688) 3.727 1.389 ( 1.254 -1.420 -2.474) 3.116 1.410 ( 2.099 3.307 1.150) 4.082 1.421 ( 1.795 0.902 -3.428) 3.973 1.465 ( 3.379 -0.816 -0.144) 3.479 1.569 ( 3.505 -5.160 0.023) 6.238 1.609 ( 3.482 -6.493 -2.074) 7.654 1.643 ( 1.537 -4.743 0.725) 5.038 1.684 ( 0.560 -4.494 3.584) 5.776 1.789 ( 1.865 0.872 4.826) 5.247 1.815 ( 0.260 1.021 -5.100) 5.208 1.817 ( 3.850 -2.223 1.816) 4.802 1.893 ( 2.334 2.662 -0.210) 3.547 2.020 ( -3.397 -0.292 -0.944) 3.538 2.049 ( -0.311 -2.718 -0.379) 2.762 2.066 ( 2.012 -0.915 -1.350) 2.590 2.150 ( -2.074 -6.737 -0.152) 7.051 2.217 ( -0.097 2.294 0.945) 2.483 2.292 ( 2.016 1.094 -1.905) 2.981 2.340 ( 2.510 -1.945 2.202) 3.864 2.396 ( 1.259 -0.428 1.064) 1.703 2.513 ( -1.421 2.406 0.353) 2.817 2.577 ( -2.644 1.624 -1.149) 3.309 2.662 ( -0.172 1.673 -0.679) 1.814 2.683 ( 2.519 -0.752 -0.359) 2.653 2.765 ( 0.307 2.077 4.515) 4.979 2.797 ( 1.437 -1.189 0.707) 1.995 2.839 ( 1.679 -1.373 -1.236) 2.497 2.875 ( -3.015 2.435 -1.627) 4.203 2.918 ( 0.224 -1.987 2.126) 2.919 2.951 ( -2.950 -0.157 -2.799) 4.070 2.964 ( -1.784 1.960 0.559) 2.709 3.040 ( -1.642 -1.767 0.330) 2.434 3.052 ( -0.280 -3.454 2.678) 4.379 3.136 ( -3.219 -3.540 -2.071) 5.214 3.190 ( -2.608 -0.750 -2.625) 3.775 3.266 ( 1.029 2.476 -0.005) 2.681 3.341 ( -2.246 -1.559 -0.156) 2.738 3.385 ( 2.120 0.772 -0.908) 2.432 3.450 ( 3.539 -2.369 -0.197) 4.263 3.468 ( -0.155 2.554 0.892) 2.710 3.533 ( -2.345 0.310 -1.116) 2.616 3.574 ( 0.440 -1.178 0.177) 1.270 3.599 ( 3.735 -0.629 0.796) 3.870 3.652 ( 0.944 1.303 -0.844) 1.817 3.707 ( 0.274 -5.412 2.546) 5.988 3.737 ( -1.720 0.201 2.409) 2.967 3.777 ( -4.141 -0.413 -0.606) 4.205 3.861 ( -2.142 -1.773 -0.220) 2.789 3.906 ( -1.729 -0.521 -0.158) 1.813 3.932 ( -1.051 -1.941 -1.025) 2.433 3.995 ( -4.929 1.130 -3.128) 5.947 4.017 ( -1.490 1.442 3.336) 3.928 4.042 ( -3.373 0.969 -2.984) 4.607 4.083 ( -0.404 2.312 0.081) 2.349 4.147 ( -2.962 -1.622 4.420) 5.563 4.185 ( -0.642 -2.383 0.763) 2.583 4.222 ( -0.234 -1.576 0.254) 1.613 4.253 ( 0.101 -3.340 1.919) 3.854 4.348 ( -0.741 3.192 -2.676) 4.231 4.533 ( 0.070 -0.140 -3.008) 3.012 4.580 ( 1.328 1.724 -1.405) 2.590 4.608 ( 1.856 -1.322 4.180) 4.761 4.660 ( 2.276 3.849 0.050) 4.472 4.716 ( 2.617 1.603 -0.547) 3.117 4.766 ( 3.251 -0.775 0.430) 3.369 4.824 ( 4.003 0.383 0.342) 4.036 4.924 ( 2.779 4.003 1.042) 4.983 5.004 ( 2.133 1.543 -1.409) 2.986 5.075 ( -0.488 0.118 0.769) 0.918 5.079 ( 0.750 1.079 -2.395) 2.732 5.182 ( -1.374 1.074 1.212) 2.124 5.227 ( -2.208 1.693 -0.636) 2.854 5.287 ( 1.563 4.000 -0.790) 4.367 5.377 ( 2.553 1.440 -1.140) 3.145 5.470 ( -1.253 -2.252 0.305) 2.596 5.633 ( -1.828 -6.155 0.994) 6.497 5.777 ( 1.183 -0.970 -2.195) 2.675 5.847 ( 5.291 -5.426 -0.667) 7.608 5.912 ( 1.487 -0.321 1.261) 1.976 5.991 ( -1.757 -4.067 3.696) 5.769 6.216 ( -3.539 3.501 0.458) 4.999 6.270 ( 1.077 1.595 -2.702) 3.317 6.412 ( -0.733 -1.285 -0.146) 1.487 6.420 ( -4.909 -2.558 0.215) 5.540======================= Grid point 17 (12/56) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 0.000 4.848 -0.000) 4.848 0.837 ( 0.000 4.382 0.000) 4.382 0.869 ( -0.000 0.506 0.000) 0.506 0.975 ( 0.000 3.448 0.000) 3.448 0.997 ( -0.000 2.338 -0.000) 2.338 1.025 ( 0.000 -2.344 0.000) 2.344 1.089 ( -0.000 0.086 -0.000) 0.086 1.125 ( 0.000 -0.617 0.000) 0.617 1.141 ( -0.000 0.004 -0.000) 0.004 1.170 ( 0.000 0.867 -0.000) 0.867 1.281 ( -0.000 3.787 0.000) 3.787 1.372 ( 0.000 3.783 -0.000) 3.783 1.397 ( 0.000 -3.354 -0.000) 3.354 1.411 ( 0.000 1.393 0.000) 1.393 1.461 ( -0.000 -2.492 -0.000) 2.492 1.524 ( -0.000 -1.191 -0.000) 1.191 1.593 ( 0.000 -1.869 0.000) 1.869 1.621 ( 0.000 -7.889 0.000) 7.889 1.664 ( 0.000 -5.557 -0.000) 5.557 1.697 ( -0.000 -6.234 0.000) 6.234 1.803 ( 0.000 -3.271 0.000) 3.271 1.844 ( -0.000 5.717 -0.000) 5.717 1.890 ( -0.000 -3.385 -0.000) 3.385 1.900 ( 0.000 5.402 0.000) 5.402 1.963 ( 0.000 -0.254 -0.000) 0.254 2.053 ( 0.000 -2.162 0.000) 2.162 2.095 ( 0.000 -1.548 0.000) 1.548 2.123 ( -0.000 -7.773 0.000) 7.773 2.216 ( 0.000 3.224 0.000) 3.224 2.325 ( 0.000 1.529 0.000) 1.529 2.367 ( 0.000 -2.091 -0.000) 2.091 2.397 ( 0.000 -0.548 0.000) 0.548 2.500 ( 0.000 2.321 0.000) 2.321 2.544 ( -0.000 2.254 -0.000) 2.254 2.661 ( 0.000 2.950 0.000) 2.950 2.707 ( -0.000 -2.636 0.000) 2.636 2.794 ( -0.000 3.096 -0.000) 3.096 2.820 ( 0.000 1.941 0.000) 1.941 2.837 ( 0.000 1.132 -0.000) 1.132 2.856 ( -0.000 0.196 0.000) 0.196 2.873 ( 0.000 0.745 -0.000) 0.745 2.920 ( 0.000 -1.369 0.000) 1.369 2.951 ( 0.000 2.908 0.000) 2.908 3.043 ( 0.000 -5.136 -0.000) 5.136 3.083 ( 0.000 -3.956 0.000) 3.956 3.101 ( -0.000 -3.763 -0.000) 3.763 3.116 ( 0.000 1.461 0.000) 1.461 3.285 ( -0.000 2.939 -0.000) 2.939 3.318 ( 0.000 -3.401 0.000) 3.401 3.423 ( 0.000 4.526 -0.000) 4.526 3.447 ( -0.000 2.199 0.000) 2.199 3.492 ( 0.000 -2.411 -0.000) 2.411 3.539 ( 0.000 0.289 0.000) 0.289 3.547 ( -0.000 -4.774 -0.000) 4.774 3.671 ( 0.000 0.817 -0.000) 0.817 3.680 ( 0.000 1.648 0.000) 1.648 3.696 ( 0.000 -2.193 -0.000) 2.193 3.696 ( -0.000 -3.382 0.000) 3.382 3.722 ( -0.000 -5.640 0.000) 5.640 3.841 ( 0.000 -1.419 0.000) 1.419 3.893 ( 0.000 -0.587 -0.000) 0.587 3.926 ( 0.000 -2.636 0.000) 2.636 3.931 ( 0.000 2.479 0.000) 2.479 3.997 ( -0.000 -1.907 -0.000) 1.907 4.022 ( 0.000 4.186 0.000) 4.186 4.074 ( 0.000 1.438 0.000) 1.438 4.111 ( 0.000 -2.486 -0.000) 2.486 4.185 ( 0.000 -0.642 0.000) 0.642 4.222 ( -0.000 -1.714 0.000) 1.714 4.266 ( -0.000 -3.597 -0.000) 3.597 4.330 ( 0.000 4.715 -0.000) 4.715 4.525 ( 0.000 0.124 -0.000) 0.124 4.590 ( -0.000 3.430 0.000) 3.430 4.611 ( 0.000 -0.842 -0.000) 0.842 4.716 ( 0.000 1.477 0.000) 1.477 4.747 ( 0.000 3.009 0.000) 3.009 4.800 ( 0.000 -2.260 0.000) 2.260 4.878 ( -0.000 1.621 -0.000) 1.621 4.945 ( 0.000 8.413 0.000) 8.413 5.013 ( 0.000 2.708 0.000) 2.708 5.072 ( 0.000 -3.255 -0.000) 3.255 5.090 ( 0.000 4.471 0.000) 4.471 5.151 ( 0.000 -1.743 -0.000) 1.743 5.172 ( 0.000 0.047 -0.000) 0.047 5.357 ( 0.000 2.481 -0.000) 2.481 5.392 ( 0.000 1.072 0.000) 1.072 5.452 ( -0.000 -1.271 -0.000) 1.271 5.603 ( -0.000 -6.318 0.000) 6.318 5.793 ( 0.000 -0.029 0.000) 0.029 5.906 ( 0.000 -6.870 -0.000) 6.870 5.930 ( 0.000 -1.099 0.000) 1.099 5.976 ( 0.000 -4.807 -0.000) 4.807 6.164 ( 0.000 4.349 -0.000) 4.349 6.325 ( 0.000 -2.194 -0.000) 2.194 6.331 ( -0.000 1.661 0.000) 1.661 6.404 ( 0.000 -1.455 -0.000) 1.455======================= Grid point 21 (13/56) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 0.000 -8.040 0.000) 8.040 0.829 ( 0.000 8.040 0.000) 8.040 0.955 ( 0.000 -7.516 0.000) 7.516 0.955 ( 0.000 7.516 0.000) 7.516 1.052 ( 0.000 -1.429 0.000) 1.429 1.052 ( 0.000 1.429 0.000) 1.429 1.096 ( 0.000 -1.960 0.000) 1.960 1.096 ( 0.000 1.960 0.000) 1.960 1.184 ( 0.000 -1.287 0.000) 1.287 1.184 ( 0.000 1.287 0.000) 1.287 1.267 ( 0.000 -1.383 0.000) 1.383 1.267 ( 0.000 1.383 0.000) 1.383 1.315 ( 0.000 -1.315 0.000) 1.315 1.315 ( 0.000 1.315 0.000) 1.315 1.409 ( 0.000 -1.882 0.000) 1.882 1.409 ( 0.000 1.882 0.000) 1.882 1.496 ( 0.000 -0.618 0.000) 0.618 1.496 ( 0.000 0.618 0.000) 0.618 1.613 ( 0.000 -3.117 0.000) 3.117 1.613 ( 0.000 3.117 0.000) 3.117 1.767 ( 0.000 -2.533 0.000) 2.533 1.767 ( 0.000 2.533 0.000) 2.533 1.837 ( 0.000 -3.529 0.000) 3.529 1.837 ( 0.000 3.529 0.000) 3.529 2.004 ( 0.000 -9.312 0.000) 9.312 2.004 ( 0.000 9.312 0.000) 9.312 2.111 ( 0.000 -0.824 0.000) 0.824 2.111 ( 0.000 0.824 0.000) 0.824 2.203 ( 0.000 -1.277 0.000) 1.277 2.203 ( 0.000 1.277 0.000) 1.277 2.307 ( 0.000 -2.706 0.000) 2.706 2.307 ( 0.000 2.706 0.000) 2.706 2.624 ( 0.000 -2.042 0.000) 2.042 2.624 ( 0.000 2.042 0.000) 2.042 2.633 ( 0.000 -2.414 0.000) 2.414 2.633 ( 0.000 2.414 0.000) 2.414 2.752 ( 0.000 -0.757 0.000) 0.757 2.752 ( 0.000 0.757 0.000) 0.757 2.779 ( 0.000 -2.011 0.000) 2.011 2.779 ( 0.000 2.011 0.000) 2.011 2.990 ( 0.000 -0.864 0.000) 0.864 2.990 ( 0.000 0.864 0.000) 0.864 3.070 ( 0.000 -3.433 0.000) 3.433 3.070 ( 0.000 3.433 0.000) 3.433 3.126 ( 0.000 -3.051 0.000) 3.051 3.126 ( 0.000 3.051 0.000) 3.051 3.207 ( 0.000 -3.073 0.000) 3.073 3.207 ( 0.000 3.073 0.000) 3.073 3.354 ( 0.000 -1.926 0.000) 1.926 3.354 ( 0.000 1.926 0.000) 1.926 3.449 ( 0.000 -4.150 0.000) 4.150 3.449 ( 0.000 4.150 0.000) 4.150 3.580 ( 0.000 -2.213 0.000) 2.213 3.580 ( 0.000 2.213 0.000) 2.213 3.589 ( 0.000 -1.110 0.000) 1.110 3.589 ( 0.000 1.110 0.000) 1.110 3.756 ( 0.000 -3.840 0.000) 3.840 3.756 ( 0.000 3.840 0.000) 3.840 3.859 ( 0.000 -3.014 0.000) 3.014 3.859 ( 0.000 3.014 0.000) 3.014 4.077 ( 0.000 -2.880 0.000) 2.880 4.077 ( 0.000 2.880 0.000) 2.880 4.111 ( 0.000 -0.104 0.000) 0.104 4.111 ( 0.000 0.104 0.000) 0.104 4.152 ( 0.000 -3.366 0.000) 3.366 4.152 ( 0.000 3.366 0.000) 3.366 4.184 ( 0.000 -3.524 0.000) 3.524 4.184 ( 0.000 3.524 0.000) 3.524 4.191 ( 0.000 -3.324 0.000) 3.324 4.191 ( 0.000 3.324 0.000) 3.324 4.453 ( 0.000 -0.788 0.000) 0.788 4.453 ( 0.000 0.788 0.000) 0.788 4.465 ( 0.000 -2.480 0.000) 2.480 4.465 ( 0.000 2.480 0.000) 2.480 4.660 ( 0.000 -3.250 0.000) 3.250 4.660 ( 0.000 3.250 0.000) 3.250 4.747 ( 0.000 -2.694 0.000) 2.694 4.747 ( 0.000 2.694 0.000) 2.694 4.800 ( 0.000 -2.815 0.000) 2.815 4.800 ( 0.000 2.815 0.000) 2.815 5.075 ( 0.000 -0.463 0.000) 0.463 5.075 ( 0.000 0.463 0.000) 0.463 5.222 ( 0.000 -0.693 0.000) 0.693 5.222 ( 0.000 0.693 0.000) 0.693 5.421 ( 0.000 -5.559 0.000) 5.559 5.421 ( 0.000 5.559 0.000) 5.559 5.468 ( 0.000 -0.193 0.000) 0.193 5.468 ( 0.000 0.193 0.000) 0.193 5.742 ( 0.000 -1.596 0.000) 1.596 5.742 ( 0.000 1.596 0.000) 1.596 5.942 ( 0.000 -3.272 0.000) 3.272 5.942 ( 0.000 3.272 0.000) 3.272 6.379 ( 0.000 -6.084 0.000) 6.084 6.379 ( 0.000 6.084 0.000) 6.084 6.400 ( 0.000 -4.642 0.000) 4.642 6.400 ( 0.000 4.642 0.000) 4.642======================= Grid point 23 (14/56) =======================q-point: ( 0.17 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 1.196 -5.521 -0.756) 5.699 0.839 ( 1.196 5.521 -0.756) 5.699 0.963 ( 0.122 -6.047 0.168) 6.050 0.963 ( 0.122 6.047 0.168) 6.050 1.060 ( 0.554 -1.187 2.619) 2.929 1.060 ( 0.554 1.187 2.619) 2.929 1.089 ( -0.431 -2.532 0.439) 2.606 1.089 ( -0.431 2.532 0.439) 2.606 1.191 ( -0.126 -1.458 -2.972) 3.313 1.191 ( -0.126 1.458 -2.972) 3.313 1.291 ( 0.987 -1.674 0.760) 2.086 1.291 ( 0.987 1.674 0.760) 2.086 1.346 ( 4.937 -2.730 -0.481) 5.662 1.346 ( 4.937 2.730 -0.481) 5.662 1.439 ( 2.425 -1.203 -2.140) 3.451 1.439 ( 2.425 1.203 -2.140) 3.451 1.486 ( -0.758 -3.677 1.908) 4.211 1.486 ( -0.758 3.677 1.908) 4.211 1.578 ( -2.125 -4.573 -0.673) 5.088 1.578 ( -2.125 4.573 -0.673) 5.088 1.756 ( -0.194 -1.418 -0.215) 1.447 1.756 ( -0.194 1.418 -0.215) 1.447 1.899 ( 4.650 -5.038 1.740) 7.073 1.899 ( 4.650 5.038 1.740) 7.073 1.991 ( -1.078 -8.487 -1.401) 8.669 1.991 ( -1.078 8.487 -1.401) 8.669 2.092 ( -1.962 -0.959 -0.107) 2.186 2.092 ( -1.962 0.959 -0.107) 2.186 2.226 ( 2.006 -1.661 -0.187) 2.611 2.226 ( 2.006 1.661 -0.187) 2.611 2.325 ( 1.746 -2.791 0.385) 3.315 2.325 ( 1.746 2.791 0.385) 3.315 2.605 ( -1.796 -2.025 0.822) 2.829 2.605 ( -1.796 2.025 0.822) 2.829 2.646 ( 1.160 -1.546 -0.594) 2.022 2.646 ( 1.160 1.546 -0.594) 2.022 2.771 ( 1.303 -0.906 -2.440) 2.911 2.771 ( 1.303 0.906 -2.440) 2.911 2.794 ( 1.992 -1.159 3.753) 4.404 2.794 ( 1.992 1.159 3.753) 4.404 2.969 ( -1.909 -2.051 1.385) 3.126 2.969 ( -1.909 2.051 1.385) 3.126 3.039 ( -2.361 -1.541 -2.182) 3.565 3.039 ( -2.361 1.541 -2.182) 3.565 3.115 ( -1.627 -2.332 -2.147) 3.562 3.115 ( -1.627 2.332 -2.147) 3.562 3.229 ( 1.205 -3.612 0.139) 3.810 3.229 ( 1.205 3.612 0.139) 3.810 3.347 ( 0.040 -2.257 0.211) 2.267 3.347 ( 0.040 2.257 0.211) 2.267 3.455 ( 0.461 -4.556 2.318) 5.133 3.455 ( 0.461 4.556 2.318) 5.133 3.560 ( -1.724 -2.608 0.087) 3.127 3.560 ( -1.724 2.608 0.087) 3.127 3.595 ( 0.912 -1.860 -1.166) 2.378 3.595 ( 0.912 1.860 -1.166) 2.378 3.746 ( -1.279 -4.094 -0.808) 4.365 3.746 ( -1.279 4.094 -0.808) 4.365 3.855 ( -0.649 -3.189 2.285) 3.976 3.855 ( -0.649 3.189 2.285) 3.976 3.984 ( -6.806 -1.228 0.299) 6.922 3.984 ( -6.806 1.228 0.299) 6.922 4.086 ( -1.761 -1.402 -0.324) 2.274 4.086 ( -1.761 1.402 -0.324) 2.274 4.126 ( -3.145 -2.244 -4.181) 5.693 4.126 ( -3.145 2.244 -4.181) 5.693 4.180 ( 0.058 -1.866 2.010) 2.743 4.180 ( 0.058 1.866 2.010) 2.743 4.200 ( -1.915 -0.836 2.637) 3.365 4.200 ( -1.915 0.836 2.637) 3.365 4.420 ( 2.213 -4.485 1.514) 5.225 4.420 ( 2.213 4.485 1.514) 5.225 4.544 ( 3.374 -1.291 -2.871) 4.615 4.544 ( 3.374 1.291 -2.871) 4.615 4.701 ( 2.271 -1.083 3.470) 4.286 4.701 ( 2.271 1.083 3.470) 4.286 4.733 ( 0.755 -1.044 -2.603) 2.904 4.733 ( 0.755 1.044 -2.603) 2.904 4.876 ( 6.289 -2.265 0.398) 6.696 4.876 ( 6.289 2.265 0.398) 6.696 5.084 ( 0.513 -1.321 -1.424) 2.009 5.084 ( 0.513 1.321 -1.424) 2.009 5.233 ( 0.982 -1.908 -0.424) 2.187 5.233 ( 0.982 1.908 -0.424) 2.187 5.412 ( -2.780 -1.060 -0.103) 2.977 5.412 ( -2.780 1.060 -0.103) 2.977 5.469 ( 1.881 -5.396 0.362) 5.726 5.469 ( 1.881 5.396 0.362) 5.726 5.744 ( 0.517 -1.382 -0.811) 1.684 5.744 ( 0.517 1.382 -0.811) 1.684 5.940 ( -0.406 -3.128 1.688) 3.577 5.940 ( -0.406 3.128 1.688) 3.577 6.341 ( -3.175 -2.897 -0.783) 4.369 6.341 ( -3.175 2.897 -0.783) 4.369 6.401 ( -0.354 -1.840 0.165) 1.881 6.401 ( -0.354 1.840 0.165) 1.881======================= Grid point 25 (15/56) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 1.961 -1.565 -0.073) 2.510 0.872 ( 1.961 1.565 -0.073) 2.510 0.950 ( -1.048 -4.284 -0.458) 4.434 0.950 ( -1.048 4.284 -0.458) 4.434 1.048 ( -1.634 -1.435 1.941) 2.915 1.048 ( -1.634 1.435 1.941) 2.915 1.102 ( 1.279 -1.500 -0.911) 2.171 1.102 ( 1.279 1.500 -0.911) 2.171 1.174 ( -0.951 -0.894 -0.345) 1.350 1.174 ( -0.951 0.894 -0.345) 1.350 1.324 ( 2.195 -2.778 -0.498) 3.575 1.324 ( 2.195 2.778 -0.498) 3.575 1.406 ( 0.023 -4.373 0.590) 4.413 1.406 ( 0.023 4.373 0.590) 4.413 1.459 ( -0.155 -2.170 -0.291) 2.195 1.459 ( -0.155 2.170 -0.291) 2.195 1.529 ( 4.549 -3.571 -0.255) 5.790 1.529 ( 4.549 3.571 -0.255) 5.790 1.571 ( 1.281 -3.690 -0.902) 4.008 1.571 ( 1.281 3.690 -0.902) 4.008 1.774 ( 2.250 -1.292 1.132) 2.831 1.774 ( 2.250 1.292 1.132) 2.831 1.951 ( 0.061 -4.116 -2.114) 4.627 1.951 ( 0.061 4.116 -2.114) 4.627 1.998 ( 1.857 -3.047 0.749) 3.646 1.998 ( 1.857 3.047 0.749) 3.646 2.044 ( -2.266 -1.921 -0.234) 2.980 2.044 ( -2.266 1.921 -0.234) 2.980 2.267 ( 2.026 -2.770 -0.059) 3.433 2.267 ( 2.026 2.770 -0.059) 3.433 2.361 ( 1.687 -2.809 1.435) 3.577 2.361 ( 1.687 2.809 1.435) 3.577 2.566 ( -1.920 -2.027 -0.049) 2.792 2.566 ( -1.920 2.027 -0.049) 2.792 2.673 ( 1.408 -0.260 -0.814) 1.646 2.673 ( 1.408 0.260 -0.814) 1.646 2.797 ( 1.789 -2.412 -0.432) 3.034 2.797 ( 1.789 2.412 -0.432) 3.034 2.848 ( 3.087 -2.423 3.641) 5.354 2.848 ( 3.087 2.423 3.641) 5.354 2.924 ( -2.585 -3.716 0.987) 4.633 2.924 ( -2.585 3.716 0.987) 4.633 2.999 ( -1.922 -1.248 -2.308) 3.252 2.999 ( -1.922 1.248 -2.308) 3.252 3.062 ( -3.342 -3.374 -2.189) 5.229 3.062 ( -3.342 3.374 -2.189) 5.229 3.226 ( -1.296 -4.263 -0.500) 4.484 3.226 ( -1.296 4.263 -0.500) 4.484 3.368 ( 1.739 -3.342 0.339) 3.783 3.368 ( 1.739 3.342 0.339) 3.783 3.470 ( 0.951 -5.632 -0.034) 5.711 3.470 ( 0.951 5.632 -0.034) 5.711 3.533 ( -0.570 -2.423 0.237) 2.501 3.533 ( -0.570 2.423 0.237) 2.501 3.612 ( 0.230 -1.637 0.488) 1.723 3.612 ( 0.230 1.637 0.488) 1.723 3.715 ( -1.595 -2.673 0.783) 3.209 3.715 ( -1.595 2.673 0.783) 3.209 3.818 ( -2.868 -2.735 0.822) 4.048 3.818 ( -2.868 2.735 0.822) 4.048 3.896 ( -1.954 -0.265 -0.210) 1.983 3.896 ( -1.954 0.265 -0.210) 1.983 4.008 ( -4.276 -0.723 -2.218) 4.872 4.008 ( -4.276 0.723 -2.218) 4.872 4.097 ( -1.367 -1.089 0.107) 1.751 4.097 ( -1.367 1.089 0.107) 1.751 4.148 ( -1.592 -3.833 -0.418) 4.171 4.148 ( -1.592 3.833 -0.418) 4.171 4.198 ( 1.122 -2.000 3.970) 4.585 4.198 ( 1.122 2.000 3.970) 4.585 4.455 ( 0.355 -5.686 -0.325) 5.706 4.455 ( 0.355 5.686 -0.325) 5.706 4.604 ( 2.265 -0.269 -1.430) 2.692 4.604 ( 2.265 0.269 -1.430) 2.692 4.721 ( 2.082 -1.732 1.111) 2.927 4.721 ( 2.082 1.732 1.111) 2.927 4.796 ( 3.663 -3.010 -1.139) 4.876 4.796 ( 3.663 3.010 -1.139) 4.876 4.986 ( 4.587 -2.109 2.171) 5.496 4.986 ( 4.587 2.109 2.171) 5.496 5.087 ( 0.103 -1.291 -2.357) 2.690 5.087 ( 0.103 1.291 -2.357) 2.690 5.221 ( -3.659 -1.703 -0.204) 4.041 5.221 ( -3.659 1.703 -0.204) 4.041 5.375 ( 0.949 -3.410 -1.211) 3.741 5.375 ( 0.949 3.410 -1.211) 3.741 5.493 ( -0.567 -5.819 0.896) 5.914 5.493 ( -0.567 5.819 0.896) 5.914 5.778 ( 2.888 -1.411 -1.852) 3.710 5.778 ( 2.888 1.411 -1.852) 3.710 5.924 ( -1.021 -1.852 3.124) 3.772 5.924 ( -1.021 1.852 3.124) 3.772 6.282 ( -2.350 -1.556 -1.148) 3.044 6.282 ( -2.350 1.556 -1.148) 3.044 6.384 ( -1.348 -0.244 0.207) 1.385 6.384 ( -1.348 0.244 0.207) 1.385======================= Grid point 27 (16/56) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 0.000 -0.239 -0.000) 0.239 0.892 ( 0.000 0.239 -0.000) 0.239 0.942 ( 0.000 -5.254 -0.000) 5.254 0.942 ( 0.000 5.254 -0.000) 5.254 1.025 ( 0.000 -0.100 0.000) 0.100 1.025 ( 0.000 0.100 0.000) 0.100 1.114 ( 0.000 -0.634 -0.000) 0.634 1.114 ( 0.000 0.634 -0.000) 0.634 1.167 ( 0.000 -2.017 0.000) 2.017 1.167 ( 0.000 2.017 0.000) 2.017 1.350 ( 0.000 -5.436 0.000) 5.436 1.350 ( -0.000 5.436 0.000) 5.436 1.399 ( 0.000 -1.726 -0.000) 1.726 1.399 ( 0.000 1.726 -0.000) 1.726 1.455 ( 0.000 -3.058 -0.000) 3.058 1.455 ( 0.000 3.058 -0.000) 3.058 1.570 ( 0.000 -1.071 0.000) 1.071 1.570 ( 0.000 1.071 0.000) 1.071 1.593 ( 0.000 -1.695 -0.000) 1.695 1.593 ( 0.000 1.695 -0.000) 1.695 1.813 ( 0.000 -3.288 0.000) 3.288 1.813 ( 0.000 3.288 0.000) 3.288 1.949 ( 0.000 -1.637 0.000) 1.637 1.949 ( 0.000 1.637 0.000) 1.637 1.989 ( 0.000 -2.004 -0.000) 2.004 1.989 ( 0.000 2.004 -0.000) 2.004 2.044 ( 0.000 -3.359 0.000) 3.359 2.044 ( 0.000 3.359 -0.000) 3.359 2.289 ( 0.000 -4.079 0.000) 4.079 2.289 ( 0.000 4.079 0.000) 4.079 2.378 ( 0.000 -2.060 -0.000) 2.060 2.378 ( 0.000 2.060 -0.000) 2.060 2.545 ( 0.000 -1.622 -0.000) 1.622 2.545 ( 0.000 1.622 -0.000) 1.622 2.687 ( 0.000 -0.346 -0.000) 0.346 2.687 ( 0.000 0.346 -0.000) 0.346 2.832 ( 0.000 -0.061 -0.000) 0.061 2.832 ( 0.000 0.061 -0.000) 0.061 2.863 ( 0.000 -2.230 0.000) 2.230 2.863 ( 0.000 2.230 0.000) 2.230 2.915 ( 0.000 -1.151 0.000) 1.151 2.915 ( 0.000 1.151 0.000) 1.151 2.965 ( 0.000 -1.242 -0.000) 1.242 2.965 ( -0.000 1.242 -0.000) 1.242 3.024 ( 0.000 -2.377 0.000) 2.377 3.024 ( 0.000 2.377 0.000) 2.377 3.207 ( 0.000 -5.869 0.000) 5.869 3.207 ( 0.000 5.869 0.000) 5.869 3.392 ( 0.000 -6.251 -0.000) 6.251 3.392 ( 0.000 6.251 -0.000) 6.251 3.472 ( 0.000 -0.286 0.000) 0.286 3.472 ( 0.000 0.286 0.000) 0.286 3.540 ( 0.000 -1.226 0.000) 1.226 3.540 ( 0.000 1.226 0.000) 1.226 3.607 ( 0.000 -0.810 -0.000) 0.810 3.607 ( 0.000 0.810 0.000) 0.810 3.695 ( 0.000 -0.498 0.000) 0.498 3.695 ( 0.000 0.498 0.000) 0.498 3.791 ( 0.000 -4.622 -0.000) 4.622 3.791 ( 0.000 4.622 -0.000) 4.622 3.881 ( 0.000 -0.650 0.000) 0.650 3.881 ( -0.000 0.650 -0.000) 0.650 3.964 ( 0.000 -1.018 0.000) 1.018 3.964 ( 0.000 1.018 0.000) 1.018 4.076 ( 0.000 -0.667 -0.000) 0.667 4.076 ( 0.000 0.667 -0.000) 0.667 4.138 ( 0.000 -4.942 0.000) 4.942 4.138 ( 0.000 4.942 0.000) 4.942 4.213 ( 0.000 -2.100 -0.000) 2.100 4.213 ( 0.000 2.100 0.000) 2.100 4.451 ( 0.000 -5.755 0.000) 5.755 4.451 ( 0.000 5.755 0.000) 5.755 4.624 ( 0.000 -0.282 -0.000) 0.282 4.624 ( 0.000 0.282 -0.000) 0.282 4.751 ( 0.000 -1.932 0.000) 1.932 4.751 ( 0.000 1.932 0.000) 1.932 4.841 ( 0.000 -4.528 -0.000) 4.528 4.841 ( 0.000 4.528 -0.000) 4.528 5.040 ( 0.000 -0.364 0.000) 0.364 5.040 ( 0.000 0.364 0.000) 0.364 5.087 ( 0.000 -4.250 0.000) 4.250 5.087 ( 0.000 4.250 -0.000) 4.250 5.156 ( -0.000 -1.969 -0.000) 1.969 5.156 ( -0.000 1.969 0.000) 1.969 5.414 ( 0.000 -2.458 0.000) 2.458 5.414 ( 0.000 2.458 0.000) 2.458 5.464 ( 0.000 -5.773 -0.000) 5.773 5.464 ( 0.000 5.773 -0.000) 5.773 5.814 ( 0.000 -2.197 -0.000) 2.197 5.814 ( 0.000 2.197 0.000) 2.197 5.913 ( 0.000 -0.715 -0.000) 0.715 5.913 ( 0.000 0.715 -0.000) 0.715 6.262 ( 0.000 -3.970 0.000) 3.970 6.262 ( -0.000 3.970 0.000) 3.970 6.365 ( 0.000 -1.792 -0.000) 1.792 6.365 ( 0.000 1.792 -0.000) 1.792======================= Grid point 49 (17/56) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.278 ( -2.050 0.000 14.162) 14.310 0.296 ( -0.745 0.000 14.411) 14.431 0.472 ( 0.818 0.000 21.394) 21.409 0.850 ( 2.756 0.000 -11.933) 12.247 0.884 ( 0.678 0.000 -5.116) 5.161 1.009 ( -1.744 0.000 -3.649) 4.045 1.053 ( -0.101 0.000 -2.287) 2.290 1.130 ( -2.814 0.000 1.268) 3.086 1.172 ( 1.838 0.000 1.063) 2.123 1.232 ( -3.579 0.000 1.706) 3.965 1.254 ( 1.082 0.000 -1.367) 1.744 1.301 ( 2.165 0.000 1.654) 2.725 1.330 ( -1.629 0.000 -0.286) 1.654 1.362 ( -1.305 0.000 0.499) 1.397 1.414 ( -4.464 0.000 4.969) 6.680 1.481 ( -0.167 0.000 -0.230) 0.284 1.523 ( 1.653 0.000 -3.046) 3.465 1.571 ( 6.717 0.000 -3.476) 7.564 1.601 ( 0.532 0.000 0.098) 0.541 1.696 ( 0.739 0.000 -4.981) 5.035 1.768 ( 0.519 0.000 0.691) 0.864 1.772 ( 0.104 0.000 -1.995) 1.997 1.799 ( -2.851 0.000 -1.551) 3.246 1.943 ( -1.912 0.000 -1.727) 2.577 2.029 ( 1.071 0.000 -8.492) 8.560 2.130 ( -0.801 0.000 4.415) 4.487 2.174 ( -3.386 0.000 -1.680) 3.779 2.213 ( 1.222 0.000 0.840) 1.483 2.222 ( 4.498 0.000 5.204) 6.879 2.271 ( 2.761 0.000 0.060) 2.762 2.314 ( 2.126 0.000 -1.358) 2.523 2.447 ( 0.071 0.000 0.740) 0.744 2.493 ( -1.026 0.000 2.640) 2.833 2.608 ( -1.932 0.000 -1.824) 2.657 2.623 ( -5.554 0.000 3.967) 6.826 2.710 ( -0.396 0.000 1.510) 1.561 2.728 ( -0.651 0.000 0.590) 0.879 2.732 ( 1.589 0.000 0.989) 1.872 2.928 ( 1.908 0.000 1.547) 2.456 3.037 ( -3.732 0.000 -2.443) 4.460 3.070 ( 3.407 0.000 0.594) 3.459 3.118 ( 0.626 0.000 2.436) 2.516 3.143 ( -4.465 0.000 -3.354) 5.584 3.145 ( 2.224 0.000 2.400) 3.272 3.247 ( -6.522 0.000 1.566) 6.707 3.300 ( -0.733 0.000 0.491) 0.883 3.302 ( 2.730 0.000 -1.695) 3.214 3.333 ( -0.484 0.000 1.963) 2.022 3.344 ( -0.577 0.000 1.600) 1.701 3.369 ( 6.225 0.000 0.750) 6.270 3.397 ( 2.821 0.000 -0.968) 2.982 3.468 ( -3.039 0.000 -1.883) 3.576 3.528 ( -0.743 0.000 1.513) 1.685 3.570 ( 7.814 0.000 -0.540) 7.833 3.670 ( -0.460 0.000 -4.075) 4.101 3.700 ( -1.522 0.000 -3.991) 4.271 3.718 ( -3.314 0.000 2.392) 4.087 3.769 ( 0.919 0.000 -1.434) 1.703 3.825 ( 0.612 0.000 1.079) 1.241 3.862 ( 1.170 0.000 4.980) 5.115 3.929 ( -0.306 0.000 1.768) 1.794 3.958 ( 0.288 0.000 3.670) 3.681 3.988 ( -4.505 0.000 1.060) 4.628 4.044 ( 1.652 0.000 3.765) 4.111 4.045 ( 0.070 0.000 1.850) 1.851 4.125 ( 1.680 0.000 -1.180) 2.053 4.208 ( 2.976 0.000 -1.288) 3.242 4.238 ( -1.754 0.000 -3.492) 3.908 4.301 ( -0.464 0.000 -0.670) 0.815 4.313 ( 1.057 0.000 -4.093) 4.228 4.404 ( 0.170 0.000 -1.677) 1.685 4.504 ( 3.395 0.000 -3.557) 4.917 4.511 ( 4.184 0.000 0.604) 4.227 4.575 ( -5.381 0.000 -4.398) 6.949 4.613 ( 3.090 0.000 -3.617) 4.757 4.614 ( -1.044 0.000 -1.332) 1.693 4.769 ( -4.044 0.000 1.211) 4.221 4.782 ( 1.697 0.000 2.168) 2.753 4.827 ( -2.172 0.000 0.650) 2.267 4.866 ( 5.780 0.000 0.327) 5.789 4.890 ( -2.186 0.000 1.767) 2.810 4.950 ( -0.282 0.000 0.429) 0.514 5.122 ( -2.679 0.000 0.630) 2.752 5.202 ( 1.039 0.000 2.059) 2.306 5.207 ( 5.316 0.000 -1.246) 5.460 5.248 ( -4.883 0.000 0.465) 4.905 5.599 ( -0.236 0.000 2.967) 2.976 5.740 ( 1.481 0.000 -3.406) 3.714 5.861 ( -0.258 0.000 0.166) 0.307 5.863 ( -0.015 0.000 1.034) 1.034 6.065 ( 3.278 0.000 -0.100) 3.279 6.074 ( -9.621 0.000 0.613) 9.641 6.259 ( 1.952 0.000 -1.286) 2.337 6.260 ( -2.090 0.000 0.603) 2.175 6.385 ( 0.279 0.000 0.406) 0.493 6.417 ( 0.731 0.000 -0.030) 0.731======================= Grid point 50 (18/56) =======================q-point: ( 0.17 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.259 ( 8.213 0.000 5.581) 9.930 0.421 ( 11.324 0.000 8.438) 14.123 0.741 ( 16.385 0.000 8.131) 18.292 0.862 ( -1.596 0.000 -11.743) 11.851 0.927 ( 4.373 0.000 0.653) 4.422 0.989 ( -0.184 0.000 -4.086) 4.091 1.056 ( -1.325 0.000 -2.990) 3.271 1.080 ( -0.683 0.000 -1.502) 1.650 1.174 ( -2.095 0.000 3.234) 3.854 1.208 ( 1.819 0.000 -0.897) 2.028 1.234 ( -4.051 0.000 -2.894) 4.979 1.296 ( -1.353 0.000 -0.764) 1.554 1.320 ( -2.758 0.000 1.670) 3.224 1.333 ( 1.710 0.000 3.855) 4.218 1.409 ( 3.341 0.000 3.329) 4.716 1.536 ( 5.762 0.000 2.467) 6.268 1.558 ( -1.361 0.000 2.706) 3.029 1.595 ( 3.993 0.000 -7.681) 8.657 1.668 ( 2.944 0.000 0.326) 2.962 1.727 ( 2.793 0.000 -1.722) 3.281 1.728 ( -2.028 0.000 -8.557) 8.794 1.816 ( 3.356 0.000 -2.869) 4.415 1.859 ( 6.427 0.000 2.363) 6.847 1.943 ( 1.005 0.000 -1.143) 1.522 2.021 ( -1.901 0.000 -5.464) 5.785 2.088 ( -4.622 0.000 3.477) 5.784 2.118 ( -0.870 0.000 1.232) 1.508 2.224 ( 1.028 0.000 1.954) 2.208 2.312 ( 4.304 0.000 1.839) 4.680 2.348 ( 3.012 0.000 -1.355) 3.302 2.371 ( 3.718 0.000 0.468) 3.748 2.428 ( -2.317 0.000 -3.308) 4.039 2.506 ( 3.364 0.000 6.811) 7.597 2.531 ( -2.807 0.000 4.810) 5.569 2.559 ( -3.329 0.000 0.104) 3.330 2.677 ( -2.459 0.000 0.965) 2.642 2.737 ( 1.564 0.000 -0.097) 1.567 2.766 ( 1.741 0.000 2.017) 2.664 2.905 ( -7.800 0.000 6.164) 9.942 2.943 ( -1.081 0.000 1.202) 1.616 3.024 ( -6.851 0.000 -2.439) 7.272 3.072 ( -3.672 0.000 -1.250) 3.879 3.109 ( -2.912 0.000 -0.217) 2.920 3.134 ( -1.978 0.000 6.062) 6.376 3.177 ( -0.380 0.000 -0.402) 0.553 3.257 ( -2.883 0.000 -0.277) 2.897 3.280 ( -1.315 0.000 4.924) 5.096 3.322 ( 1.182 0.000 3.098) 3.316 3.357 ( -5.893 0.000 0.637) 5.927 3.426 ( 1.546 0.000 0.670) 1.685 3.440 ( 7.271 0.000 -2.591) 7.719 3.456 ( 1.760 0.000 -1.443) 2.276 3.520 ( 0.030 0.000 1.209) 1.209 3.571 ( -4.512 0.000 3.128) 5.490 3.662 ( -1.075 0.000 3.100) 3.281 3.670 ( -1.300 0.000 -5.998) 6.137 3.725 ( 1.231 0.000 -2.284) 2.594 3.759 ( -2.642 0.000 -0.872) 2.782 3.839 ( 1.084 0.000 0.833) 1.367 3.849 ( -3.396 0.000 2.710) 4.345 3.911 ( -0.154 0.000 5.854) 5.856 3.956 ( 1.433 0.000 -1.219) 1.881 3.976 ( 1.930 0.000 3.323) 3.843 4.001 ( -1.559 0.000 -2.779) 3.187 4.046 ( -0.655 0.000 2.449) 2.535 4.108 ( -6.932 0.000 -5.683) 8.964 4.175 ( 1.787 0.000 2.147) 2.793 4.184 ( -2.299 0.000 -0.951) 2.488 4.294 ( 0.466 0.000 2.151) 2.201 4.324 ( -1.391 0.000 -6.502) 6.649 4.439 ( 1.327 0.000 -1.787) 2.226 4.448 ( -5.706 0.000 -1.417) 5.879 4.588 ( 1.925 0.000 -3.227) 3.758 4.603 ( 3.092 0.000 -4.160) 5.183 4.614 ( 3.061 0.000 -3.779) 4.863 4.653 ( -1.072 0.000 -0.363) 1.132 4.754 ( -0.204 0.000 0.496) 0.537 4.771 ( -3.060 0.000 2.641) 4.042 4.772 ( -0.040 0.000 -1.388) 1.388 4.921 ( 3.951 0.000 -0.035) 3.951 4.957 ( 1.286 0.000 1.027) 1.646 5.019 ( 8.511 0.000 2.919) 8.998 5.103 ( 1.074 0.000 -3.340) 3.508 5.124 ( -5.909 0.000 2.025) 6.247 5.216 ( -0.026 0.000 2.516) 2.517 5.312 ( 5.042 0.000 -1.306) 5.208 5.600 ( 0.141 0.000 3.485) 3.488 5.772 ( 0.909 0.000 -2.720) 2.868 5.834 ( -2.415 0.000 0.625) 2.495 5.886 ( 0.542 0.000 -0.846) 1.004 6.029 ( 2.558 0.000 -2.214) 3.383 6.113 ( 1.538 0.000 2.802) 3.197 6.226 ( -1.315 0.000 -0.506) 1.409 6.299 ( 1.593 0.000 -2.722) 3.154 6.374 ( -1.250 0.000 0.383) 1.308 6.420 ( -0.543 0.000 -0.043) 0.544======================= Grid point 51 (19/56) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 12.749 0.000 -3.607) 13.249 0.643 ( 10.657 0.000 2.949) 11.057 0.816 ( -2.716 0.000 -8.846) 9.253 0.902 ( 2.326 0.000 -2.610) 3.496 0.988 ( -0.055 0.000 -4.914) 4.914 1.011 ( -1.330 0.000 -9.582) 9.674 1.017 ( -1.531 0.000 -3.884) 4.175 1.104 ( 1.793 0.000 1.784) 2.529 1.138 ( -2.251 0.000 -1.557) 2.737 1.180 ( 1.236 0.000 0.806) 1.476 1.229 ( -0.493 0.000 2.120) 2.176 1.282 ( -0.162 0.000 1.470) 1.479 1.291 ( 0.098 0.000 3.474) 3.475 1.415 ( 8.137 0.000 6.749) 10.572 1.511 ( 6.830 0.000 4.544) 8.204 1.525 ( -0.945 0.000 -1.833) 2.062 1.601 ( 0.183 0.000 1.206) 1.220 1.696 ( -1.774 0.000 -10.846) 10.990 1.706 ( 4.767 0.000 -5.832) 7.532 1.748 ( 6.073 0.000 0.892) 6.139 1.799 ( 5.014 0.000 4.084) 6.467 1.871 ( -2.989 0.000 -5.299) 6.084 1.924 ( -1.798 0.000 -0.393) 1.840 1.929 ( 2.454 0.000 -2.154) 3.265 2.027 ( 0.367 0.000 7.412) 7.421 2.042 ( 3.717 0.000 1.601) 4.047 2.116 ( 0.458 0.000 1.679) 1.740 2.248 ( 0.944 0.000 -0.081) 0.947 2.354 ( -2.156 0.000 0.278) 2.174 2.371 ( 0.725 0.000 3.071) 3.156 2.402 ( 0.179 0.000 -1.286) 1.298 2.424 ( 1.351 0.000 -2.182) 2.566 2.481 ( -3.793 0.000 2.646) 4.625 2.506 ( 0.533 0.000 4.634) 4.665 2.584 ( 2.588 0.000 1.772) 3.136 2.661 ( 1.382 0.000 0.489) 1.465 2.775 ( -0.378 0.000 2.299) 2.329 2.786 ( -2.293 0.000 10.562) 10.808 2.793 ( 1.424 0.000 2.122) 2.555 2.872 ( -5.682 0.000 -0.009) 5.682 2.895 ( -5.908 0.000 -2.002) 6.238 2.980 ( -5.100 0.000 -0.144) 5.102 3.042 ( -2.741 0.000 -2.579) 3.764 3.122 ( -0.577 0.000 3.011) 3.065 3.175 ( 0.757 0.000 0.098) 0.764 3.224 ( -0.125 0.000 -2.788) 2.791 3.252 ( -4.010 0.000 -0.311) 4.022 3.267 ( -1.832 0.000 5.296) 5.604 3.358 ( 1.750 0.000 4.766) 5.077 3.429 ( -1.595 0.000 -1.063) 1.917 3.475 ( 0.074 0.000 3.453) 3.453 3.502 ( -1.148 0.000 3.981) 4.144 3.525 ( 0.627 0.000 0.476) 0.788 3.571 ( 5.127 0.000 -2.918) 5.899 3.644 ( -1.027 0.000 0.618) 1.199 3.652 ( -0.319 0.000 -7.454) 7.460 3.706 ( -1.267 0.000 -0.057) 1.268 3.728 ( -0.179 0.000 -0.564) 0.591 3.795 ( -2.339 0.000 2.570) 3.475 3.851 ( 0.171 0.000 1.115) 1.128 3.877 ( -2.442 0.000 3.646) 4.388 3.962 ( -2.089 0.000 -5.722) 6.092 3.987 ( -4.095 0.000 -6.239) 7.463 4.012 ( 2.696 0.000 -3.259) 4.230 4.061 ( 2.914 0.000 3.616) 4.644 4.070 ( 5.012 0.000 -0.394) 5.028 4.165 ( -0.315 0.000 0.906) 0.959 4.211 ( 1.687 0.000 2.814) 3.281 4.254 ( -4.272 0.000 -7.661) 8.771 4.315 ( 1.246 0.000 3.800) 3.999 4.382 ( -1.375 0.000 2.648) 2.983 4.459 ( 1.013 0.000 -3.615) 3.754 4.575 ( -3.879 0.000 -4.904) 6.253 4.613 ( 1.447 0.000 -1.729) 2.255 4.651 ( -4.995 0.000 0.434) 5.014 4.680 ( 3.161 0.000 -0.499) 3.200 4.697 ( -3.732 0.000 -0.521) 3.768 4.707 ( 1.791 0.000 -3.618) 4.037 4.832 ( 2.772 0.000 0.137) 2.775 4.912 ( -3.465 0.000 3.531) 4.947 4.977 ( -0.300 0.000 0.371) 0.477 5.108 ( 1.027 0.000 -1.851) 2.117 5.124 ( 4.509 0.000 -0.634) 4.554 5.180 ( 2.989 0.000 0.220) 2.997 5.216 ( 3.080 0.000 0.866) 3.199 5.373 ( 1.019 0.000 -1.081) 1.486 5.596 ( -0.620 0.000 5.541) 5.576 5.784 ( -2.399 0.000 1.809) 3.005 5.790 ( 1.194 0.000 -2.581) 2.844 5.886 ( -0.124 0.000 0.300) 0.325 6.075 ( 2.020 0.000 -2.666) 3.345 6.140 ( 1.481 0.000 2.769) 3.140 6.204 ( -0.794 0.000 -0.549) 0.965 6.308 ( -0.573 0.000 -2.488) 2.553 6.341 ( -2.141 0.000 1.121) 2.417 6.405 ( -0.693 0.000 -0.546) 0.882======================= Grid point 52 (20/56) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 4.221 0.000 -0.658) 4.272 0.754 ( -2.614 0.000 -1.576) 3.053 0.789 ( 2.323 0.000 -6.003) 6.437 0.871 ( -4.107 0.000 -12.905) 13.543 0.912 ( -1.204 0.000 -1.348) 1.807 1.019 ( 0.817 0.000 -8.937) 8.974 1.056 ( 3.315 0.000 -4.349) 5.468 1.075 ( -2.027 0.000 -3.766) 4.277 1.150 ( 2.288 0.000 1.586) 2.784 1.193 ( -0.261 0.000 -0.791) 0.833 1.223 ( 1.160 0.000 3.996) 4.161 1.288 ( -0.293 0.000 3.643) 3.654 1.298 ( 0.924 0.000 2.993) 3.132 1.511 ( -3.230 0.000 6.396) 7.165 1.524 ( 0.549 0.000 -4.235) 4.270 1.580 ( -1.772 0.000 -0.250) 1.789 1.638 ( 4.742 0.000 5.354) 7.152 1.665 ( -0.553 0.000 -10.126) 10.141 1.712 ( -2.684 0.000 -0.791) 2.798 1.763 ( -5.227 0.000 -3.317) 6.191 1.856 ( -2.600 0.000 1.063) 2.808 1.877 ( 6.217 0.000 -3.182) 6.985 1.924 ( 5.404 0.000 5.684) 7.843 1.993 ( 2.435 0.000 0.092) 2.436 2.043 ( -0.108 0.000 4.851) 4.852 2.099 ( 1.361 0.000 4.070) 4.292 2.118 ( -0.221 0.000 -0.325) 0.393 2.252 ( -0.434 0.000 -2.210) 2.253 2.286 ( -4.841 0.000 0.535) 4.870 2.294 ( -6.153 0.000 2.594) 6.677 2.417 ( -2.639 0.000 1.794) 3.191 2.426 ( 1.432 0.000 -0.915) 1.700 2.490 ( 3.669 0.000 -1.704) 4.045 2.531 ( 1.651 0.000 3.469) 3.842 2.609 ( 1.506 0.000 3.955) 4.231 2.690 ( 0.388 0.000 2.443) 2.473 2.707 ( -2.145 0.000 10.501) 10.717 2.766 ( -3.597 0.000 -1.785) 4.015 2.812 ( 0.185 0.000 3.879) 3.883 2.842 ( 1.610 0.000 0.263) 1.631 2.845 ( 2.252 0.000 0.310) 2.273 2.909 ( -0.985 0.000 0.699) 1.208 3.035 ( 1.242 0.000 -4.654) 4.817 3.110 ( -0.263 0.000 2.254) 2.270 3.162 ( -2.245 0.000 -3.362) 4.042 3.177 ( -2.080 0.000 1.144) 2.374 3.251 ( -0.522 0.000 1.312) 1.412 3.259 ( 2.923 0.000 1.670) 3.366 3.380 ( 0.859 0.000 4.442) 4.524 3.396 ( -1.154 0.000 0.357) 1.208 3.455 ( -1.965 0.000 4.935) 5.312 3.514 ( 1.406 0.000 3.103) 3.406 3.536 ( 0.389 0.000 -2.564) 2.594 3.604 ( -0.235 0.000 -0.830) 0.862 3.633 ( 0.218 0.000 -1.761) 1.774 3.688 ( 0.341 0.000 -3.465) 3.481 3.703 ( 2.822 0.000 -0.833) 2.942 3.721 ( -0.662 0.000 -0.936) 1.146 3.786 ( 1.610 0.000 1.140) 1.973 3.843 ( -0.779 0.000 3.128) 3.224 3.855 ( 0.591 0.000 0.417) 0.723 3.910 ( -2.343 0.000 -7.695) 8.044 3.953 ( -0.327 0.000 -3.586) 3.601 4.054 ( 1.818 0.000 -3.526) 3.967 4.119 ( -3.213 0.000 1.779) 3.672 4.127 ( 2.078 0.000 -1.408) 2.510 4.129 ( 0.055 0.000 -3.052) 3.052 4.232 ( 0.258 0.000 2.635) 2.648 4.235 ( 1.381 0.000 -0.079) 1.383 4.334 ( 0.893 0.000 5.480) 5.553 4.383 ( 1.341 0.000 3.004) 3.290 4.471 ( -0.352 0.000 -6.085) 6.096 4.525 ( -5.575 0.000 -1.192) 5.701 4.552 ( 2.217 0.000 -2.444) 3.300 4.623 ( -3.492 0.000 -0.941) 3.616 4.654 ( 3.017 0.000 0.313) 3.033 4.714 ( 0.302 0.000 -5.282) 5.291 4.765 ( 2.681 0.000 -6.121) 6.682 4.829 ( -0.440 0.000 7.816) 7.829 4.912 ( 1.304 0.000 1.553) 2.027 4.930 ( -4.359 0.000 -0.943) 4.460 5.104 ( -1.589 0.000 -2.431) 2.904 5.156 ( -2.353 0.000 0.132) 2.356 5.200 ( 2.530 0.000 0.086) 2.531 5.317 ( 3.881 0.000 0.128) 3.883 5.356 ( -2.119 0.000 -2.244) 3.087 5.581 ( -0.625 0.000 7.321) 7.347 5.760 ( 0.214 0.000 2.412) 2.422 5.810 ( 0.380 0.000 -2.405) 2.435 5.886 ( 0.066 0.000 0.487) 0.492 6.108 ( 1.528 0.000 -1.069) 1.865 6.127 ( -3.057 0.000 0.141) 3.060 6.231 ( 3.143 0.000 -0.530) 3.188 6.296 ( -0.101 0.000 -2.738) 2.739 6.306 ( -0.906 0.000 3.116) 3.245 6.399 ( -0.031 0.000 -0.865) 0.866======================= Grid point 54 (21/56) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( -13.096 0.000 -0.845) 13.123 0.647 ( -9.240 0.000 3.278) 9.805 0.783 ( -0.974 0.000 -10.232) 10.279 0.877 ( -2.651 0.000 -2.907) 3.934 0.939 ( 3.760 0.000 -7.278) 8.192 1.041 ( 2.784 0.000 -4.019) 4.889 1.077 ( 0.424 0.000 -6.718) 6.732 1.090 ( -0.859 0.000 -4.536) 4.616 1.177 ( 0.466 0.000 3.946) 3.973 1.203 ( 2.311 0.000 0.379) 2.342 1.271 ( -3.933 0.000 0.962) 4.049 1.291 ( 4.372 0.000 0.336) 4.385 1.313 ( 1.424 0.000 6.593) 6.745 1.357 ( -5.649 0.000 6.284) 8.450 1.517 ( -2.088 0.000 -0.152) 2.094 1.541 ( -2.834 0.000 0.054) 2.835 1.603 ( -7.130 0.000 -4.098) 8.224 1.604 ( -3.755 0.000 3.393) 5.061 1.711 ( 0.744 0.000 -6.743) 6.784 1.721 ( -0.665 0.000 -1.075) 1.264 1.767 ( -6.208 0.000 -0.809) 6.260 1.935 ( -5.080 0.000 2.746) 5.775 1.940 ( -0.401 0.000 -6.880) 6.892 2.007 ( -1.463 0.000 -2.050) 2.519 2.066 ( 3.795 0.000 7.076) 8.029 2.123 ( 2.122 0.000 5.027) 5.457 2.138 ( 1.919 0.000 -1.423) 2.389 2.176 ( -6.038 0.000 -0.006) 6.038 2.207 ( -2.289 0.000 0.458) 2.335 2.248 ( 0.334 0.000 -0.449) 0.559 2.357 ( -3.396 0.000 1.234) 3.613 2.436 ( 0.213 0.000 0.377) 0.434 2.537 ( -1.423 0.000 4.480) 4.701 2.563 ( 3.794 0.000 -0.442) 3.819 2.651 ( 2.440 0.000 0.583) 2.509 2.683 ( -0.244 0.000 0.916) 0.948 2.730 ( -0.627 0.000 0.802) 1.018 2.739 ( 4.866 0.000 11.886) 12.844 2.821 ( 1.025 0.000 6.806) 6.883 2.877 ( 1.467 0.000 1.663) 2.217 2.918 ( 0.859 0.000 -4.256) 4.342 2.924 ( 6.381 0.000 0.516) 6.402 3.050 ( 0.701 0.000 -2.791) 2.878 3.106 ( -1.508 0.000 -1.364) 2.033 3.159 ( 4.209 0.000 3.162) 5.264 3.193 ( 2.496 0.000 0.726) 2.600 3.255 ( 1.297 0.000 -0.767) 1.507 3.311 ( 2.189 0.000 3.541) 4.163 3.386 ( -0.622 0.000 2.914) 2.979 3.387 ( 0.049 0.000 -0.384) 0.387 3.418 ( -1.475 0.000 2.433) 2.845 3.530 ( -1.439 0.000 -3.307) 3.606 3.537 ( 0.590 0.000 1.883) 1.973 3.579 ( -2.186 0.000 0.642) 2.278 3.657 ( 2.529 0.000 -0.556) 2.589 3.694 ( 0.934 0.000 -1.731) 1.967 3.707 ( -0.540 0.000 -3.192) 3.237 3.771 ( 2.614 0.000 0.561) 2.674 3.798 ( -0.151 0.000 0.800) 0.814 3.866 ( -1.923 0.000 -0.592) 2.013 3.878 ( 4.310 0.000 3.670) 5.661 3.886 ( 1.986 0.000 -1.009) 2.227 3.954 ( -0.107 0.000 -2.915) 2.917 4.036 ( -5.232 0.000 -1.788) 5.529 4.067 ( -0.243 0.000 0.393) 0.462 4.089 ( -2.608 0.000 -5.654) 6.226 4.164 ( 1.964 0.000 0.832) 2.133 4.235 ( 0.325 0.000 1.897) 1.924 4.266 ( 2.029 0.000 0.092) 2.031 4.343 ( -0.213 0.000 4.321) 4.326 4.444 ( 5.297 0.000 2.537) 5.873 4.455 ( -0.970 0.000 -5.199) 5.288 4.472 ( -0.634 0.000 -5.414) 5.451 4.570 ( -1.602 0.000 -0.668) 1.736 4.581 ( -1.545 0.000 -6.814) 6.987 4.714 ( 1.827 0.000 1.245) 2.211 4.755 ( 4.568 0.000 -0.565) 4.603 4.796 ( 0.376 0.000 -3.697) 3.716 4.837 ( 0.743 0.000 5.598) 5.647 4.838 ( -4.022 0.000 -3.498) 5.330 4.913 ( -0.825 0.000 3.705) 3.795 5.039 ( -4.435 0.000 0.380) 4.451 5.131 ( -0.368 0.000 -3.031) 3.053 5.201 ( -2.273 0.000 1.874) 2.946 5.323 ( -3.071 0.000 2.173) 3.762 5.327 ( -0.624 0.000 -3.856) 3.906 5.590 ( 1.392 0.000 5.452) 5.627 5.790 ( 2.594 0.000 1.818) 3.167 5.792 ( -2.132 0.000 -2.344) 3.169 5.886 ( -0.170 0.000 -0.021) 0.171 6.050 ( -3.968 0.000 -0.389) 3.987 6.141 ( 2.079 0.000 0.541) 2.148 6.294 ( 2.871 0.000 -1.340) 3.168 6.309 ( 0.911 0.000 -3.904) 4.009 6.309 ( 0.975 0.000 3.754) 3.879 6.399 ( 0.017 0.000 -0.968) 0.968======================= Grid point 55 (22/56) =======================q-point: (-0.17 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( -9.028 0.000 6.366) 11.046 0.436 ( -11.321 0.000 9.252) 14.621 0.730 ( -15.670 0.000 8.666) 17.906 0.795 ( 2.195 0.000 -12.318) 12.512 0.900 ( -2.869 0.000 -2.105) 3.558 1.052 ( -2.482 0.000 -4.300) 4.965 1.062 ( -0.528 0.000 -4.011) 4.046 1.122 ( 3.607 0.000 -1.392) 3.866 1.170 ( -1.228 0.000 3.291) 3.513 1.218 ( 1.525 0.000 -2.976) 3.344 1.256 ( 2.469 0.000 2.203) 3.309 1.289 ( -2.026 0.000 3.964) 4.451 1.375 ( 0.573 0.000 -1.535) 1.639 1.384 ( 0.965 0.000 2.776) 2.939 1.455 ( -1.017 0.000 1.596) 1.892 1.481 ( 0.669 0.000 1.709) 1.836 1.521 ( -1.905 0.000 -4.400) 4.795 1.528 ( -4.954 0.000 6.525) 8.192 1.621 ( -5.396 0.000 -5.853) 7.961 1.702 ( -1.616 0.000 -5.717) 5.941 1.742 ( 2.043 0.000 -1.258) 2.399 1.832 ( -5.154 0.000 0.857) 5.224 1.877 ( -4.608 0.000 -4.638) 6.538 1.986 ( -1.001 0.000 -5.438) 5.529 2.053 ( -4.993 0.000 -1.671) 5.265 2.125 ( 1.814 0.000 7.340) 7.560 2.161 ( 1.377 0.000 4.707) 4.904 2.175 ( 2.083 0.000 0.336) 2.109 2.207 ( 0.529 0.000 -5.921) 5.944 2.256 ( 0.230 0.000 0.470) 0.524 2.303 ( -1.564 0.000 1.371) 2.080 2.446 ( 0.445 0.000 1.764) 1.819 2.507 ( -1.023 0.000 3.243) 3.401 2.619 ( 1.400 0.000 -0.980) 1.709 2.684 ( -0.109 0.000 1.005) 1.011 2.696 ( 1.409 0.000 0.837) 1.639 2.719 ( -0.511 0.000 0.822) 0.968 2.758 ( -2.117 0.000 1.153) 2.411 2.892 ( 1.392 0.000 0.194) 1.405 2.969 ( 14.516 0.000 14.175) 20.289 2.981 ( 4.901 0.000 -0.751) 4.958 3.042 ( 6.030 0.000 1.608) 6.240 3.079 ( 2.357 0.000 0.317) 2.378 3.103 ( 1.413 0.000 0.300) 1.444 3.214 ( -1.264 0.000 -0.594) 1.396 3.250 ( 4.244 0.000 1.844) 4.627 3.301 ( 3.170 0.000 1.121) 3.363 3.323 ( -1.302 0.000 3.250) 3.501 3.359 ( -1.745 0.000 4.107) 4.463 3.387 ( -0.029 0.000 -1.458) 1.458 3.424 ( 2.558 0.000 1.423) 2.928 3.452 ( -6.872 0.000 -1.727) 7.085 3.530 ( -0.833 0.000 -3.156) 3.264 3.545 ( -1.153 0.000 1.648) 2.011 3.687 ( -0.642 0.000 -4.111) 4.161 3.712 ( 0.535 0.000 -2.474) 2.531 3.736 ( 3.134 0.000 1.235) 3.369 3.761 ( -0.808 0.000 -0.381) 0.894 3.821 ( -1.870 0.000 2.216) 2.899 3.836 ( 1.974 0.000 4.228) 4.666 3.939 ( 2.677 0.000 3.905) 4.735 3.948 ( -2.718 0.000 -0.828) 2.841 3.957 ( 2.203 0.000 -2.722) 3.502 3.974 ( 4.864 0.000 3.358) 5.910 4.055 ( -1.609 0.000 3.035) 3.435 4.076 ( 1.323 0.000 -3.606) 3.841 4.212 ( 2.856 0.000 -2.539) 3.822 4.226 ( -2.144 0.000 -0.292) 2.164 4.304 ( 1.379 0.000 -1.885) 2.335 4.328 ( -1.246 0.000 0.747) 1.453 4.435 ( -1.669 0.000 -4.537) 4.834 4.468 ( 0.302 0.000 -5.357) 5.366 4.505 ( -2.712 0.000 0.054) 2.712 4.566 ( 6.150 0.000 0.802) 6.202 4.581 ( 0.741 0.000 -4.657) 4.716 4.675 ( -4.523 0.000 -2.291) 5.070 4.766 ( -1.755 0.000 1.147) 2.097 4.801 ( 0.242 0.000 0.780) 0.817 4.826 ( 0.533 0.000 -2.799) 2.850 4.850 ( -0.532 0.000 3.303) 3.345 4.919 ( 1.126 0.000 2.747) 2.968 4.971 ( -2.245 0.000 -0.521) 2.305 5.138 ( 0.955 0.000 -1.311) 1.622 5.156 ( -0.862 0.000 0.644) 1.076 5.238 ( -4.788 0.000 3.256) 5.790 5.309 ( -1.907 0.000 -1.593) 2.485 5.605 ( -0.066 0.000 3.642) 3.643 5.749 ( -1.799 0.000 -2.928) 3.437 5.841 ( 2.266 0.000 0.757) 2.389 5.878 ( -0.725 0.000 0.049) 0.726 6.017 ( 0.866 0.000 -0.916) 1.260 6.180 ( 1.314 0.000 0.909) 1.598 6.292 ( -3.840 0.000 -6.589) 7.627 6.295 ( -1.327 0.000 0.893) 1.599 6.359 ( 2.418 0.000 0.834) 2.557 6.403 ( 0.532 0.000 -0.527) 0.749======================= Grid point 56 (23/56) =======================q-point: ( 0.00 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.442 ( 0.536 10.829 8.773) 13.947 0.462 ( -3.232 12.880 8.244) 15.630 0.679 ( 1.814 13.688 6.588) 15.299 0.884 ( 2.497 3.070 -9.905) 10.666 0.913 ( -0.451 3.756 -3.202) 4.956 1.013 ( -1.310 0.738 -2.923) 3.287 1.069 ( 0.716 1.399 -0.628) 1.693 1.136 ( -1.702 0.179 2.750) 3.239 1.169 ( 1.087 -0.246 0.683) 1.307 1.225 ( -1.636 -0.365 -0.330) 1.708 1.249 ( -0.058 -0.621 -0.987) 1.167 1.281 ( 1.099 -1.938 3.745) 4.358 1.317 ( -1.078 -0.109 0.284) 1.121 1.374 ( -4.226 -1.080 1.199) 4.524 1.404 ( -1.269 -0.170 -0.197) 1.295 1.474 ( 0.636 -3.549 -1.899) 4.075 1.530 ( -1.325 1.691 -0.185) 2.157 1.586 ( 3.608 -0.491 -3.800) 5.263 1.594 ( 3.111 0.633 -1.462) 3.495 1.623 ( 1.420 -4.485 -5.302) 7.089 1.733 ( 2.196 -1.344 -0.253) 2.587 1.774 ( -0.762 -1.182 1.576) 2.112 1.834 ( -3.663 1.386 -5.250) 6.550 1.916 ( -2.365 -1.853 -1.684) 3.444 1.988 ( 1.873 -2.335 -2.800) 4.098 2.039 ( -0.771 -7.153 -2.802) 7.721 2.168 ( 0.925 -0.563 2.151) 2.408 2.209 ( 1.887 -0.892 -0.269) 2.104 2.245 ( -0.950 1.813 -2.296) 3.075 2.256 ( 2.488 -1.451 0.415) 2.910 2.355 ( 1.670 1.965 3.137) 4.061 2.447 ( -1.082 -1.788 3.529) 4.101 2.509 ( -0.966 -0.276 4.389) 4.502 2.574 ( -1.085 1.338 2.495) 3.032 2.617 ( -2.289 0.391 -2.148) 3.163 2.700 ( 1.493 -0.541 2.078) 2.615 2.736 ( -0.432 0.074 -0.460) 0.636 2.748 ( 0.195 0.415 -0.356) 0.580 2.888 ( 0.374 -0.821 1.924) 2.125 2.960 ( 0.214 -5.816 -1.437) 5.995 3.043 ( -0.555 -1.419 1.108) 1.884 3.093 ( 0.425 -5.522 2.344) 6.014 3.117 ( 0.650 -1.376 1.519) 2.151 3.156 ( 2.144 -0.175 0.158) 2.156 3.190 ( -2.276 -2.132 1.195) 3.339 3.218 ( -2.789 -6.083 -1.089) 6.780 3.251 ( 0.315 -3.861 1.373) 4.110 3.269 ( -2.158 -0.564 3.211) 3.910 3.355 ( 3.278 0.558 -0.869) 3.436 3.388 ( 2.720 0.020 -3.190) 4.193 3.435 ( 0.255 1.420 0.889) 1.694 3.500 ( 0.621 -0.597 1.650) 1.862 3.514 ( -1.513 0.956 1.490) 2.329 3.581 ( 1.311 0.833 -3.103) 3.470 3.616 ( -0.923 -2.809 -2.614) 3.947 3.668 ( -1.557 -2.038 0.994) 2.750 3.711 ( 1.057 -0.219 -5.105) 5.218 3.792 ( 0.019 -2.414 3.092) 3.923 3.847 ( -2.616 0.134 3.435) 4.320 3.890 ( -0.651 2.360 1.415) 2.828 3.929 ( 0.340 2.218 2.674) 3.491 3.980 ( 1.153 2.150 3.703) 4.435 4.017 ( 1.104 2.092 0.989) 2.564 4.030 ( 1.261 0.904 1.325) 2.040 4.079 ( 2.660 2.459 1.836) 4.061 4.166 ( -1.790 0.959 -1.012) 2.269 4.219 ( -0.759 -0.225 -1.030) 1.300 4.228 ( 2.083 1.230 -2.309) 3.344 4.290 ( -1.296 -0.717 -2.674) 3.057 4.362 ( 0.401 0.742 -1.193) 1.461 4.373 ( 0.789 -0.512 -3.342) 3.472 4.420 ( -2.322 -4.460 -0.531) 5.056 4.515 ( -1.763 -1.996 -2.446) 3.616 4.552 ( -0.655 -0.321 -5.027) 5.079 4.590 ( 1.552 2.634 1.153) 3.268 4.675 ( 2.229 1.483 -1.347) 2.997 4.728 ( 4.303 -2.253 1.890) 5.212 4.736 ( -0.876 -2.411 -0.799) 2.687 4.823 ( -2.817 -1.616 2.356) 4.013 4.868 ( 0.632 -1.499 3.014) 3.425 4.959 ( -1.556 4.881 -1.134) 5.248 5.038 ( -0.830 6.125 -2.660) 6.729 5.121 ( -1.703 0.882 3.059) 3.610 5.160 ( 1.031 -1.621 4.257) 4.670 5.249 ( 3.193 3.547 -1.952) 5.156 5.292 ( -2.184 3.053 -1.330) 3.982 5.578 ( -0.776 -1.884 2.971) 3.603 5.706 ( 1.581 -3.178 -1.436) 3.829 5.803 ( -1.039 -4.188 4.767) 6.430 5.844 ( -0.948 -1.616 1.054) 2.150 5.901 ( -1.114 -4.633 2.301) 5.291 6.045 ( 2.691 -2.229 -3.771) 5.141 6.230 ( -0.729 0.532 3.750) 3.858 6.269 ( -0.571 2.584 2.299) 3.505 6.430 ( -0.219 1.160 -0.590) 1.319 6.557 ( -0.538 1.691 -7.825) 8.023======================= Grid point 57 (24/56) =======================q-point: ( 0.17 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( 1.875 11.816 4.037) 12.627 0.515 ( 6.907 8.185 5.441) 12.013 0.820 ( 6.527 4.030 -0.525) 7.689 0.899 ( -1.024 3.214 -9.495) 10.077 0.962 ( 3.972 2.164 0.028) 4.523 1.001 ( 0.803 2.813 -2.068) 3.583 1.101 ( 0.899 1.532 -0.573) 1.866 1.112 ( 1.575 5.453 0.131) 5.677 1.148 ( -3.105 -1.548 0.656) 3.531 1.196 ( -0.505 -0.497 -0.121) 0.719 1.238 ( -0.511 0.187 -1.401) 1.503 1.291 ( -2.752 -0.743 -0.010) 2.851 1.315 ( -0.426 0.057 1.708) 1.761 1.323 ( 2.065 -1.161 3.552) 4.270 1.417 ( 1.969 -0.223 1.217) 2.325 1.490 ( 0.652 -5.554 -1.749) 5.859 1.546 ( 5.193 0.149 1.890) 5.528 1.614 ( 0.617 0.312 -4.194) 4.250 1.642 ( 1.582 -4.271 -0.682) 4.605 1.691 ( 3.086 0.873 -5.003) 5.942 1.749 ( 0.360 -1.134 -0.378) 1.248 1.808 ( 4.593 -2.168 1.126) 5.202 1.827 ( 2.862 0.109 -4.294) 5.162 1.905 ( 0.840 -0.420 0.859) 1.273 1.971 ( -3.012 -3.371 -5.622) 7.214 2.052 ( 0.891 -5.071 0.010) 5.148 2.182 ( -0.204 0.284 0.168) 0.388 2.218 ( 1.106 1.912 2.586) 3.401 2.267 ( 2.817 -2.089 -2.138) 4.107 2.302 ( 0.403 -3.597 2.822) 4.589 2.385 ( 1.171 1.774 2.145) 3.020 2.404 ( -2.383 -4.479 0.187) 5.078 2.511 ( 0.906 1.018 7.052) 7.182 2.562 ( 0.600 4.068 -0.574) 4.151 2.577 ( -1.702 1.746 0.272) 2.454 2.719 ( -0.530 0.645 1.248) 1.502 2.741 ( 0.965 -0.133 -0.524) 1.106 2.751 ( 1.024 0.242 -0.011) 1.052 2.883 ( -1.684 0.865 2.703) 3.300 2.933 ( -2.186 -4.179 -0.341) 4.728 3.007 ( -2.349 -3.357 2.263) 4.681 3.032 ( -4.353 0.181 -2.417) 4.983 3.097 ( -4.761 -3.791 1.449) 6.256 3.130 ( -2.136 0.147 1.892) 2.857 3.181 ( 1.242 -5.433 3.853) 6.775 3.192 ( -1.238 0.327 -1.329) 1.845 3.239 ( -0.529 0.368 3.165) 3.230 3.291 ( 0.398 -7.279 -2.101) 7.586 3.370 ( -1.702 3.049 0.953) 3.620 3.433 ( 1.531 0.227 0.861) 1.770 3.451 ( 1.513 0.906 1.488) 2.307 3.474 ( -1.445 -2.406 1.805) 3.337 3.488 ( 0.900 3.083 0.289) 3.224 3.562 ( -2.646 0.411 1.157) 2.917 3.612 ( -1.323 -2.603 -0.372) 2.944 3.646 ( 0.951 -3.755 -0.644) 3.927 3.733 ( 1.021 1.385 -5.071) 5.355 3.780 ( -1.283 -0.034 0.444) 1.359 3.808 ( -0.363 -4.676 2.717) 5.420 3.865 ( -1.491 1.336 -1.449) 2.472 3.897 ( -2.567 2.787 1.368) 4.029 3.994 ( -1.097 3.774 3.257) 5.105 4.021 ( -0.974 -0.391 4.057) 4.191 4.040 ( -1.825 2.384 -1.085) 3.192 4.068 ( -0.706 2.191 -0.345) 2.328 4.127 ( -4.871 0.946 -2.427) 5.524 4.177 ( -0.043 0.951 0.031) 0.952 4.216 ( -0.623 1.424 -1.222) 1.977 4.249 ( -1.678 -1.139 0.232) 2.041 4.309 ( -4.471 -3.231 -5.787) 7.995 4.421 ( 1.132 -2.669 1.530) 3.278 4.438 ( 2.349 1.068 -1.621) 3.047 4.524 ( 2.444 -2.369 -3.514) 4.892 4.571 ( 2.221 -1.029 -4.076) 4.755 4.623 ( -2.270 -3.386 1.225) 4.257 4.685 ( 1.851 2.794 0.143) 3.354 4.712 ( -0.796 2.048 -1.364) 2.586 4.769 ( 0.891 0.091 0.008) 0.895 4.857 ( 5.942 -1.409 -0.008) 6.107 4.907 ( -1.247 2.078 2.794) 3.699 4.974 ( 4.249 0.939 0.665) 4.402 5.059 ( 3.704 3.405 -0.988) 5.128 5.124 ( 0.846 1.129 -0.855) 1.650 5.165 ( -0.945 2.258 2.764) 3.692 5.233 ( -2.133 3.620 1.437) 4.441 5.310 ( 2.911 0.514 -1.965) 3.550 5.568 ( -0.164 -2.701 3.044) 4.073 5.739 ( 0.083 -2.715 -2.383) 3.614 5.808 ( -1.369 -1.688 -0.287) 2.192 5.871 ( 6.297 -7.138 1.044) 9.576 5.896 ( 0.417 -2.171 1.600) 2.729 6.115 ( 4.010 -1.421 -2.293) 4.833 6.190 ( -2.577 -1.221 3.548) 4.552 6.267 ( -0.637 2.331 3.162) 3.979 6.417 ( -0.992 0.770 -1.130) 1.689 6.505 ( -4.231 1.830 -5.133) 6.899======================= Grid point 58 (25/56) =======================q-point: ( 0.33 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( 9.330 4.297 -2.778) 10.641 0.670 ( 8.232 3.714 1.705) 9.190 0.856 ( -2.456 3.109 -6.854) 7.917 0.884 ( 0.591 -0.559 -3.206) 3.308 0.989 ( 0.375 -0.071 -5.648) 5.661 0.994 ( -4.749 0.493 -3.686) 6.032 1.078 ( -0.567 3.208 -4.315) 5.407 1.123 ( 1.701 -0.839 -2.488) 3.129 1.127 ( -0.847 1.085 1.246) 1.856 1.211 ( -2.397 1.811 0.879) 3.130 1.232 ( 0.242 1.763 1.578) 2.379 1.262 ( 0.355 -0.397 2.651) 2.704 1.337 ( 1.179 1.868 1.316) 2.571 1.403 ( 7.173 -0.757 1.809) 7.436 1.482 ( -0.237 -3.043 -2.022) 3.662 1.496 ( 5.749 -1.887 5.346) 8.074 1.605 ( -0.441 -0.738 -0.820) 1.188 1.664 ( 1.008 -4.070 -5.432) 6.862 1.699 ( 5.809 -0.040 -2.981) 6.529 1.729 ( 2.653 -1.442 -3.828) 4.876 1.799 ( 4.195 -0.368 4.129) 5.898 1.861 ( -0.084 -1.775 -0.507) 1.848 1.899 ( 0.946 -2.875 -1.045) 3.202 1.909 ( -0.849 2.878 -1.817) 3.508 1.961 ( 5.424 -3.694 1.529) 6.738 2.055 ( 0.222 -2.237 1.064) 2.487 2.176 ( -0.479 1.032 1.843) 2.166 2.246 ( 0.218 -1.368 2.639) 2.981 2.273 ( -1.547 -2.456 2.977) 4.158 2.317 ( 1.780 -4.588 -0.469) 4.944 2.375 ( -1.373 -2.252 -1.163) 2.883 2.404 ( 1.403 2.349 -0.340) 2.757 2.503 ( -1.288 1.153 2.210) 2.806 2.537 ( -2.223 1.209 5.711) 6.247 2.622 ( 4.012 3.206 -1.417) 5.327 2.706 ( -0.483 1.157 1.166) 1.712 2.746 ( 0.052 -1.459 0.560) 1.563 2.794 ( 2.767 1.598 0.180) 3.200 2.845 ( -2.013 2.960 5.393) 6.473 2.869 ( -3.974 -0.011 -1.297) 4.180 2.930 ( -4.939 0.405 -1.687) 5.235 2.958 ( -3.343 -0.183 2.696) 4.298 3.047 ( -0.918 -5.621 2.787) 6.341 3.072 ( -3.687 1.074 -1.245) 4.037 3.166 ( -0.247 -0.965 0.692) 1.213 3.191 ( -1.440 -2.598 -0.852) 3.090 3.217 ( -0.709 -2.566 2.999) 4.010 3.288 ( 0.300 -1.610 3.809) 4.146 3.330 ( -1.889 2.458 0.276) 3.112 3.420 ( -1.072 -2.507 4.761) 5.487 3.471 ( 1.831 0.316 2.724) 3.297 3.487 ( 0.445 1.190 2.980) 3.240 3.532 ( -0.142 -0.127 -0.286) 0.343 3.563 ( 3.300 0.658 -2.713) 4.323 3.599 ( 0.953 -1.773 -1.653) 2.605 3.661 ( 0.739 -3.821 -0.196) 3.897 3.741 ( -0.162 3.145 -4.814) 5.753 3.745 ( -2.192 0.839 0.319) 2.369 3.808 ( -0.350 0.400 -0.921) 1.063 3.837 ( -0.870 -3.730 -2.414) 4.528 3.879 ( 0.466 0.671 -1.224) 1.471 3.935 ( -4.350 2.514 1.224) 5.171 3.964 ( -3.559 -1.257 -4.819) 6.121 3.990 ( -1.551 -4.868 0.248) 5.115 4.060 ( -1.166 0.560 2.769) 3.056 4.083 ( 0.185 1.411 0.677) 1.576 4.178 ( -3.477 -3.641 -5.784) 7.668 4.220 ( 2.039 2.315 -0.161) 3.089 4.234 ( 1.795 -1.907 3.447) 4.329 4.261 ( -0.543 1.097 -0.908) 1.525 4.409 ( -2.051 -2.434 4.118) 5.204 4.469 ( 0.438 -0.096 -2.245) 2.289 4.524 ( -3.475 0.277 -3.470) 4.919 4.579 ( 2.219 -1.529 -3.708) 4.584 4.641 ( 2.163 0.798 -2.494) 3.396 4.703 ( 1.596 1.752 0.762) 2.490 4.722 ( 0.688 2.967 -0.459) 3.080 4.823 ( 1.085 3.268 2.625) 4.330 4.869 ( 0.488 1.854 -0.378) 1.954 4.909 ( -1.106 2.805 -1.736) 3.480 5.011 ( -0.177 2.138 1.801) 2.801 5.123 ( 0.585 1.193 -0.633) 1.472 5.159 ( 3.139 -0.899 -0.213) 3.273 5.166 ( 0.542 2.934 -1.011) 3.151 5.230 ( 2.817 1.542 1.442) 3.521 5.353 ( 1.501 -1.401 -1.254) 2.406 5.566 ( -0.402 -2.583 4.601) 5.292 5.719 ( -1.620 -3.314 -1.064) 3.839 5.798 ( 0.551 -1.859 -0.734) 2.073 5.902 ( 0.441 1.272 0.089) 1.349 5.989 ( 5.220 -7.034 -1.390) 8.869 6.140 ( -2.522 -1.848 2.935) 4.288 6.190 ( 3.839 -0.961 -2.033) 4.449 6.229 ( -3.028 -0.451 3.232) 4.451 6.404 ( -0.614 0.912 -1.424) 1.799 6.419 ( -4.063 0.972 -1.562) 4.460======================= Grid point 59 (26/56) =======================q-point: (-0.50 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 6.379 1.473 -2.589) 7.040 0.774 ( 0.182 1.441 0.032) 1.453 0.799 ( -5.978 -1.510 -6.622) 9.048 0.821 ( -1.155 1.643 -8.841) 9.066 0.920 ( -1.010 1.052 -1.541) 2.122 1.022 ( 2.191 1.634 -7.000) 7.514 1.073 ( -0.890 1.139 -2.671) 3.037 1.127 ( 1.113 2.523 -1.429) 3.106 1.165 ( 0.342 -2.538 1.235) 2.843 1.173 ( 0.851 2.306 1.473) 2.866 1.220 ( -0.516 -0.233 0.951) 1.107 1.276 ( 1.167 1.409 1.173) 2.173 1.350 ( 0.137 2.898 3.663) 4.673 1.461 ( 0.840 -4.935 -6.596) 8.281 1.523 ( -2.128 -1.095 2.032) 3.139 1.537 ( 1.852 -3.484 -0.831) 4.033 1.615 ( -0.254 0.260 1.062) 1.123 1.683 ( -2.474 -1.600 -4.364) 5.266 1.706 ( 2.515 -0.550 -1.883) 3.189 1.773 ( -4.741 -0.239 -0.909) 4.834 1.841 ( 1.894 -0.051 0.576) 1.980 1.848 ( -1.980 -2.140 -0.063) 2.916 1.884 ( 2.180 -3.855 1.574) 4.700 1.975 ( 4.041 -0.814 0.968) 4.234 2.036 ( 1.132 -3.396 3.027) 4.688 2.064 ( 0.200 -0.908 1.639) 1.885 2.146 ( -1.454 0.699 4.132) 4.435 2.203 ( -3.815 -1.557 1.738) 4.473 2.293 ( 1.971 -1.147 2.071) 3.080 2.312 ( -2.559 -1.185 -2.711) 3.912 2.354 ( -0.654 -0.296 -0.834) 1.100 2.442 ( 3.039 0.649 -1.964) 3.676 2.487 ( -1.382 1.243 3.913) 4.332 2.507 ( 0.356 -1.026 4.407) 4.539 2.662 ( 0.439 2.573 2.589) 3.676 2.691 ( -1.324 1.177 1.406) 2.261 2.759 ( -4.018 -0.590 -1.487) 4.324 2.777 ( 1.448 2.244 0.195) 2.678 2.826 ( 1.217 0.838 -1.097) 1.840 2.857 ( 2.154 0.661 0.488) 2.305 2.890 ( 0.085 4.786 7.407) 8.819 2.918 ( -0.192 0.427 0.142) 0.489 3.019 ( -0.999 -1.995 0.376) 2.263 3.042 ( 0.441 -3.547 1.836) 4.018 3.124 ( -1.986 -3.224 -0.993) 3.914 3.202 ( -0.985 0.518 0.132) 1.121 3.220 ( 2.520 -1.750 3.031) 4.313 3.286 ( -0.416 0.500 2.589) 2.669 3.322 ( 1.089 0.490 0.759) 1.415 3.408 ( -0.175 -1.674 3.785) 4.142 3.466 ( -1.729 0.750 4.550) 4.925 3.515 ( 1.539 1.326 1.381) 2.457 3.552 ( 1.387 0.533 -1.846) 2.370 3.576 ( -0.217 -0.904 -1.358) 1.646 3.633 ( 1.142 -2.023 -0.445) 2.366 3.668 ( -0.583 -1.850 -1.647) 2.545 3.692 ( -2.420 -0.523 -1.401) 2.845 3.750 ( 0.854 1.542 -4.170) 4.527 3.810 ( 0.359 2.294 -0.794) 2.454 3.828 ( -0.629 -1.872 -1.844) 2.702 3.880 ( -0.114 -0.304 -2.267) 2.290 3.883 ( -0.368 -2.897 -2.363) 3.756 3.939 ( 1.116 -0.914 -5.631) 5.813 3.972 ( -0.367 -2.707 2.205) 3.511 4.058 ( 0.376 -1.476 1.717) 2.295 4.087 ( 0.720 -1.485 2.166) 2.723 4.146 ( 0.765 -4.631 -2.963) 5.551 4.226 ( -2.208 -1.920 0.174) 2.931 4.251 ( -0.068 -0.822 0.905) 1.224 4.282 ( 2.094 -0.151 0.190) 2.108 4.370 ( -0.702 -1.889 2.864) 3.502 4.446 ( -0.956 0.847 -0.889) 1.556 4.506 ( -0.311 3.487 -4.601) 5.781 4.611 ( 1.865 -1.021 -1.853) 2.821 4.673 ( -0.965 0.104 -2.135) 2.346 4.689 ( -2.236 2.711 -0.851) 3.616 4.748 ( 0.616 6.004 0.721) 6.078 4.797 ( 0.620 4.531 -0.034) 4.574 4.887 ( -0.409 0.850 -0.384) 1.018 4.927 ( 2.483 4.559 1.318) 5.356 4.989 ( -1.323 4.012 1.026) 4.348 5.112 ( -1.185 -0.265 -4.148) 4.322 5.151 ( -2.464 0.123 1.730) 3.013 5.187 ( 1.092 -0.950 0.098) 1.451 5.320 ( 3.797 0.370 0.210) 3.820 5.359 ( -1.043 0.510 -2.211) 2.497 5.550 ( -0.773 -2.720 5.996) 6.629 5.701 ( 0.032 -4.199 -0.291) 4.209 5.820 ( 1.292 -0.906 0.088) 1.580 5.898 ( -1.110 0.890 -1.342) 1.956 6.068 ( -0.512 -4.819 0.055) 4.847 6.087 ( 0.730 -2.942 -0.251) 3.041 6.163 ( -3.072 -2.996 2.567) 5.000 6.285 ( 5.395 0.766 -1.513) 5.655 6.346 ( -2.480 0.724 0.480) 2.628 6.408 ( 0.267 0.417 -0.819) 0.957======================= Grid point 61 (27/56) =======================q-point: (-0.33 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -10.395 3.802 -0.962) 11.110 0.696 ( -6.982 4.606 3.251) 8.973 0.807 ( 0.527 2.896 -9.764) 10.198 0.873 ( -0.842 -0.018 -2.630) 2.762 0.915 ( 4.225 -2.297 -5.945) 7.647 1.062 ( 1.596 0.760 -3.644) 4.050 1.078 ( 1.565 0.829 -4.558) 4.890 1.124 ( -1.923 3.251 -4.067) 5.550 1.167 ( 0.524 -0.905 3.351) 3.510 1.184 ( 0.622 -0.181 1.639) 1.762 1.249 ( 1.279 -0.392 1.819) 2.258 1.313 ( 1.749 1.105 -0.372) 2.102 1.352 ( 0.616 2.258 5.727) 6.187 1.400 ( -5.476 2.285 2.073) 6.286 1.484 ( -0.694 -2.786 -2.728) 3.960 1.554 ( -1.504 0.717 -1.645) 2.342 1.578 ( -2.933 -3.686 1.617) 4.981 1.619 ( -5.248 0.659 -4.332) 6.837 1.658 ( -2.798 0.729 1.545) 3.278 1.720 ( -3.749 -4.045 -1.649) 5.757 1.747 ( -6.206 -0.507 -1.786) 6.477 1.841 ( -1.527 -5.184 -2.015) 5.767 1.936 ( 0.786 -2.861 -0.427) 2.997 1.983 ( -1.898 -6.239 0.229) 6.526 2.058 ( 0.419 -0.484 -1.748) 1.862 2.065 ( 0.905 -2.556 0.588) 2.775 2.118 ( -3.677 -0.869 2.680) 4.632 2.161 ( 2.143 3.286 5.194) 6.509 2.234 ( -3.708 2.311 -0.736) 4.431 2.320 ( -1.020 0.578 -0.058) 1.173 2.342 ( 0.158 -1.563 1.267) 2.018 2.458 ( -0.770 0.663 2.748) 2.930 2.520 ( 4.166 -2.399 -0.600) 4.845 2.523 ( 0.120 1.504 2.731) 3.120 2.645 ( -1.211 0.648 1.889) 2.335 2.674 ( 0.164 0.685 3.517) 3.586 2.732 ( 0.188 0.355 -0.797) 0.892 2.775 ( -0.444 0.944 0.279) 1.080 2.871 ( 0.844 1.965 3.651) 4.231 2.880 ( 1.454 -1.437 -2.700) 3.387 2.928 ( 2.079 -0.957 -2.761) 3.586 2.967 ( 5.873 3.184 2.613) 7.173 3.032 ( 2.803 0.492 6.153) 6.779 3.071 ( 2.212 -3.885 3.912) 5.940 3.117 ( 0.777 -3.380 -2.276) 4.148 3.183 ( -0.406 0.604 -0.622) 0.958 3.264 ( 1.901 -1.330 2.852) 3.676 3.293 ( 1.040 0.606 4.405) 4.566 3.354 ( 2.103 1.461 -2.048) 3.278 3.398 ( -1.682 -0.919 1.895) 2.695 3.442 ( -0.123 0.393 3.690) 3.713 3.495 ( -3.275 -1.314 0.930) 3.649 3.555 ( -1.417 -0.018 -2.070) 2.508 3.587 ( 1.079 0.588 1.061) 1.624 3.640 ( -0.815 -0.938 -3.854) 4.050 3.648 ( 0.023 -3.425 1.221) 3.636 3.681 ( 0.897 -2.256 -1.462) 2.834 3.784 ( 2.635 -0.597 -4.309) 5.086 3.794 ( -1.080 -2.904 1.594) 3.484 3.820 ( 0.264 1.079 0.977) 1.480 3.889 ( 0.527 0.072 -6.071) 6.094 3.918 ( 3.076 2.311 1.517) 4.136 3.966 ( 0.504 -1.759 -3.954) 4.357 3.995 ( 3.115 2.010 2.299) 4.362 4.039 ( -2.131 -1.267 -1.368) 2.831 4.121 ( 2.578 -3.961 2.543) 5.367 4.174 ( 0.654 -2.489 1.722) 3.096 4.189 ( 0.312 0.471 -3.512) 3.557 4.261 ( 0.801 -0.529 0.239) 0.989 4.318 ( 1.834 -1.514 1.201) 2.664 4.375 ( 0.792 -2.660 0.649) 2.850 4.454 ( 1.510 1.526 -2.491) 3.289 4.502 ( 0.303 2.069 -4.753) 5.192 4.586 ( -3.818 1.331 1.176) 4.211 4.637 ( -1.608 2.872 -0.980) 3.434 4.674 ( 0.512 -3.706 -2.746) 4.641 4.742 ( -1.199 3.026 -1.311) 3.509 4.822 ( -2.283 -0.020 0.941) 2.469 4.854 ( -0.514 3.029 1.462) 3.402 4.969 ( 1.471 7.372 0.478) 7.533 4.973 ( -1.380 4.033 1.559) 4.539 5.093 ( -0.306 2.910 -2.051) 3.574 5.114 ( -0.524 0.521 -0.960) 1.211 5.183 ( -1.375 -1.263 0.913) 2.078 5.309 ( -3.931 -0.204 0.940) 4.047 5.342 ( -1.032 0.736 -1.641) 2.074 5.563 ( 1.822 -2.512 4.422) 5.402 5.712 ( 0.627 -4.568 -1.361) 4.807 5.834 ( 0.150 0.940 1.184) 1.519 5.868 ( -1.547 -1.589 -1.541) 2.701 5.990 ( -4.142 -4.825 -1.538) 6.542 6.110 ( -2.677 -8.104 2.458) 8.881 6.158 ( 3.429 1.212 0.301) 3.649 6.312 ( -0.612 0.706 3.216) 3.349 6.403 ( 5.552 1.269 -3.648) 6.763 6.416 ( 1.085 0.775 -0.978) 1.654======================= Grid point 62 (28/56) =======================q-point: (-0.17 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -2.876 10.881 5.086) 12.351 0.550 ( -7.176 8.698 6.449) 12.990 0.784 ( -5.985 4.239 -0.665) 7.365 0.841 ( 1.290 3.585 -9.451) 10.190 0.961 ( -2.374 2.754 -3.302) 4.912 1.048 ( -1.854 -0.536 -3.424) 3.931 1.069 ( -2.390 4.277 0.128) 4.901 1.129 ( 2.977 0.241 -1.875) 3.526 1.160 ( -0.697 -0.905 3.683) 3.856 1.210 ( 1.572 -1.856 2.623) 3.577 1.235 ( 0.317 0.623 -1.463) 1.621 1.306 ( -1.425 0.411 2.950) 3.302 1.351 ( -0.608 -0.713 1.741) 1.977 1.425 ( 1.396 0.615 0.122) 1.530 1.441 ( -3.040 0.439 0.125) 3.075 1.492 ( -2.702 -0.587 0.858) 2.895 1.516 ( -1.149 -0.573 0.432) 1.354 1.550 ( -0.825 0.660 -0.861) 1.363 1.606 ( -3.909 -1.578 -1.642) 4.524 1.639 ( -3.494 -2.780 -7.015) 8.315 1.695 ( 1.638 -2.133 -1.316) 2.994 1.806 ( -2.084 -2.802 -1.430) 3.774 1.913 ( -3.484 -1.342 -3.482) 5.105 1.955 ( -0.075 -5.464 -0.903) 5.538 1.995 ( -4.715 -1.552 -1.066) 5.077 2.059 ( -0.946 -3.480 -4.031) 5.409 2.135 ( 2.456 -1.110 2.121) 3.430 2.192 ( -0.244 2.779 0.297) 2.806 2.207 ( 1.915 0.756 3.638) 4.180 2.292 ( -2.408 0.006 -0.895) 2.569 2.332 ( 0.235 0.240 1.843) 1.873 2.459 ( -0.084 -0.443 4.246) 4.269 2.512 ( -0.143 1.787 0.564) 1.879 2.577 ( 1.487 -2.606 2.472) 3.887 2.646 ( -0.141 0.382 -1.075) 1.149 2.683 ( 0.485 -0.589 3.666) 3.745 2.734 ( 0.228 0.381 -1.466) 1.531 2.759 ( -1.196 -0.117 0.965) 1.541 2.885 ( 0.197 1.537 2.912) 3.299 2.918 ( 3.133 -2.381 -1.048) 4.072 2.979 ( 4.223 -3.789 -1.673) 5.915 3.074 ( 4.632 0.773 -0.381) 4.712 3.083 ( 0.577 -3.508 3.117) 4.728 3.118 ( 2.015 -5.913 1.255) 6.372 3.173 ( 5.798 3.852 6.035) 9.213 3.195 ( 1.447 -2.869 -1.469) 3.533 3.283 ( -0.723 -0.946 2.682) 2.935 3.296 ( 0.009 0.482 3.375) 3.410 3.343 ( -3.211 -2.921 -1.331) 4.540 3.399 ( -2.542 -0.897 -0.409) 2.726 3.425 ( 0.155 3.317 -0.444) 3.350 3.450 ( 1.573 -0.460 2.440) 2.939 3.535 ( -0.515 -0.751 1.674) 1.906 3.582 ( -0.747 0.936 -1.699) 2.079 3.633 ( -0.759 -3.628 -0.210) 3.712 3.668 ( 1.586 -0.728 -2.423) 2.986 3.694 ( 0.386 -1.899 -3.208) 3.748 3.779 ( 0.608 -2.467 4.356) 5.043 3.846 ( 2.684 2.339 2.271) 4.223 3.856 ( 2.290 -0.546 0.460) 2.399 3.910 ( 3.061 -0.143 -2.510) 3.961 3.960 ( -0.454 1.619 1.660) 2.362 3.971 ( 1.804 1.917 -0.790) 2.748 4.025 ( 0.243 0.172 -0.143) 0.330 4.038 ( 1.178 3.389 0.766) 3.669 4.168 ( 1.131 2.087 -2.300) 3.306 4.182 ( 2.990 -1.082 1.395) 3.473 4.232 ( 0.476 0.661 0.947) 1.249 4.256 ( 0.944 -2.073 -3.063) 3.817 4.346 ( 0.734 0.978 0.867) 1.499 4.382 ( -0.452 -4.504 -3.807) 5.915 4.476 ( -0.618 0.821 -2.323) 2.540 4.529 ( 1.121 -0.032 -2.332) 2.587 4.569 ( 1.426 2.321 2.113) 3.448 4.590 ( 0.289 -1.338 -3.980) 4.209 4.657 ( -6.043 1.547 0.281) 6.245 4.693 ( -0.555 -3.117 -1.690) 3.588 4.770 ( -2.083 -1.875 -0.507) 2.848 4.840 ( -0.544 0.963 3.319) 3.499 4.925 ( -3.747 1.249 1.207) 4.130 4.971 ( -0.332 5.879 -0.275) 5.895 5.092 ( -2.272 6.988 -1.026) 7.420 5.119 ( 0.661 -0.933 1.177) 1.641 5.179 ( 2.246 3.214 -0.848) 4.012 5.217 ( -4.608 -1.124 3.064) 5.646 5.318 ( -1.237 0.748 -1.569) 2.133 5.586 ( 0.262 -1.919 3.252) 3.784 5.709 ( -0.835 -3.561 -2.338) 4.341 5.837 ( -0.536 -1.938 -0.999) 2.245 5.845 ( -0.370 -1.168 1.771) 2.153 5.937 ( -1.833 -6.504 -0.113) 6.758 6.049 ( -3.192 -6.922 0.827) 7.667 6.210 ( 2.104 2.579 1.660) 3.719 6.295 ( -1.395 0.600 3.071) 3.425 6.426 ( 0.570 1.124 -0.534) 1.368 6.513 ( 4.721 1.746 -6.172) 7.964======================= Grid point 63 (29/56) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -0.700 10.309 5.417) 11.667 0.746 ( -0.691 12.583 3.493) 13.078 0.882 ( 0.536 6.090 -2.428) 6.578 0.957 ( 2.071 3.372 -4.954) 6.341 0.999 ( -0.063 1.159 -3.071) 3.283 1.038 ( 0.795 1.059 -2.481) 2.812 1.072 ( -0.620 -0.444 2.467) 2.582 1.148 ( 2.009 -2.959 1.577) 3.908 1.174 ( -0.999 -1.497 0.017) 1.799 1.223 ( 1.054 -0.174 1.154) 1.573 1.256 ( -2.795 2.293 1.044) 3.763 1.271 ( -1.756 3.346 0.890) 3.882 1.307 ( 0.967 -0.844 2.107) 2.467 1.353 ( -1.944 -0.032 -1.460) 2.432 1.369 ( -1.568 -4.089 0.292) 4.389 1.405 ( -1.182 -0.084 -0.630) 1.342 1.521 ( -0.228 -1.676 -0.423) 1.744 1.546 ( 2.549 -1.821 -0.534) 3.178 1.574 ( -2.757 -0.543 -2.094) 3.504 1.614 ( 3.512 0.126 -5.000) 6.112 1.702 ( 1.423 -1.173 -2.472) 3.084 1.742 ( -0.032 -3.297 -1.550) 3.644 1.773 ( -0.357 -2.367 -2.568) 3.511 1.890 ( 0.416 -2.241 -3.486) 4.165 1.960 ( 0.955 1.617 3.371) 3.859 2.016 ( -2.168 3.306 -1.925) 4.397 2.145 ( 0.569 -0.482 1.048) 1.286 2.177 ( 0.866 -2.924 0.072) 3.050 2.213 ( 0.158 -2.618 -1.542) 3.043 2.235 ( -1.069 -1.888 -1.681) 2.744 2.336 ( 1.212 -3.212 4.520) 5.676 2.388 ( -1.516 -2.776 2.374) 3.955 2.553 ( 0.804 3.941 3.273) 5.186 2.615 ( -0.236 0.922 -0.683) 1.171 2.638 ( -0.013 0.294 -1.253) 1.287 2.690 ( -0.027 -0.894 0.889) 1.261 2.714 ( 0.340 -0.386 -1.768) 1.841 2.744 ( 0.311 -0.816 -0.893) 1.249 2.839 ( -0.691 -1.801 2.518) 3.172 2.936 ( 0.146 1.411 -1.666) 2.188 2.946 ( 1.882 -5.676 5.482) 8.112 3.008 ( 0.737 -3.283 0.980) 3.504 3.073 ( -2.138 -4.911 -0.850) 5.423 3.085 ( -0.426 -0.051 -0.394) 0.582 3.146 ( -1.830 -2.385 -0.782) 3.107 3.177 ( -0.235 -0.393 2.418) 2.461 3.189 ( 0.399 -1.380 -1.463) 2.050 3.268 ( -1.175 -2.597 1.699) 3.319 3.324 ( 0.265 2.291 3.213) 3.954 3.414 ( 2.360 0.051 1.130) 2.617 3.448 ( 2.247 0.813 2.068) 3.160 3.495 ( -0.466 1.609 -1.783) 2.446 3.558 ( -0.815 -0.853 -1.601) 1.989 3.565 ( 0.350 0.484 -1.231) 1.368 3.611 ( 1.185 -1.670 3.409) 3.977 3.623 ( -0.850 -2.690 -1.204) 3.067 3.670 ( -1.225 0.597 -3.001) 3.296 3.758 ( -0.081 0.789 -1.562) 1.752 3.842 ( -1.233 -0.492 -1.776) 2.218 3.922 ( 0.337 -0.715 4.607) 4.675 3.968 ( 0.572 1.997 -0.504) 2.137 4.008 ( 1.400 -1.355 0.140) 1.953 4.052 ( 3.418 2.031 0.379) 3.994 4.084 ( -1.464 2.642 -0.241) 3.030 4.131 ( -0.745 -1.360 -0.620) 1.670 4.148 ( 3.021 -1.452 -2.750) 4.336 4.189 ( 0.371 -1.087 -1.273) 1.714 4.213 ( -3.859 -0.492 1.184) 4.066 4.261 ( 0.925 -0.070 0.813) 1.233 4.347 ( -0.667 -0.701 0.077) 0.971 4.390 ( 0.315 2.847 -0.706) 2.950 4.434 ( -1.358 1.370 0.725) 2.061 4.480 ( -3.171 -1.034 -2.237) 4.017 4.556 ( 1.891 -0.978 -4.362) 4.854 4.638 ( 3.209 -1.527 3.690) 5.123 4.666 ( -1.036 3.631 2.104) 4.322 4.690 ( 0.783 -0.875 1.008) 1.547 4.729 ( 3.893 -0.051 -0.143) 3.896 4.780 ( -1.828 -2.102 -2.873) 4.002 4.824 ( -3.212 -2.309 1.712) 4.310 5.055 ( -1.426 3.908 -1.541) 4.436 5.120 ( -0.382 1.108 -2.424) 2.693 5.164 ( 1.175 2.530 4.101) 4.960 5.199 ( -1.825 5.266 5.266) 7.667 5.324 ( 0.491 3.213 -0.712) 3.328 5.373 ( 1.188 4.236 -2.791) 5.210 5.521 ( -0.829 -3.253 1.970) 3.892 5.605 ( 0.687 -6.273 0.587) 6.338 5.747 ( -1.023 -1.074 3.049) 3.391 5.795 ( -1.000 -2.695 1.163) 3.100 5.872 ( 0.486 0.834 -2.022) 2.241 5.974 ( 2.648 -3.653 -4.907) 6.666 6.283 ( -1.691 4.068 3.724) 5.769 6.335 ( 0.680 3.162 1.275) 3.477 6.432 ( -0.284 -1.073 -0.531) 1.231 6.506 ( -0.191 -4.788 -3.502) 5.935======================= Grid point 64 (30/56) =======================q-point: ( 0.17 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( -0.346 11.247 2.475) 11.521 0.722 ( 0.937 10.503 1.890) 10.713 0.898 ( 0.523 3.322 -1.998) 3.912 0.966 ( -2.802 0.699 -3.605) 4.619 0.993 ( 1.515 3.084 -3.170) 4.675 1.057 ( 0.449 2.067 -2.023) 2.927 1.092 ( -0.575 -1.337 -0.616) 1.580 1.140 ( 1.467 -0.308 -1.717) 2.280 1.176 ( -1.928 -1.294 1.025) 2.539 1.216 ( -0.409 -2.956 3.055) 4.271 1.268 ( 1.993 1.818 -2.652) 3.783 1.294 ( 0.451 2.468 2.034) 3.229 1.315 ( 5.230 3.339 2.088) 6.547 1.339 ( -0.377 0.219 0.632) 0.768 1.365 ( 1.152 -1.048 0.373) 1.601 1.417 ( 1.454 -1.247 -2.863) 3.445 1.505 ( 0.906 -2.381 0.485) 2.594 1.557 ( 0.283 -4.123 -1.430) 4.373 1.596 ( 3.124 -0.449 -0.049) 3.156 1.680 ( 1.956 -1.180 -4.183) 4.766 1.716 ( 0.697 -4.707 -2.051) 5.181 1.742 ( 0.932 -7.445 -1.133) 7.589 1.785 ( 2.170 1.590 -0.277) 2.705 1.922 ( 1.840 0.701 -7.113) 7.381 1.960 ( -0.881 3.462 2.979) 4.651 2.010 ( 1.531 0.971 1.247) 2.201 2.143 ( -0.587 -1.149 0.400) 1.351 2.202 ( 0.463 -5.243 3.472) 6.305 2.220 ( 0.327 -3.124 1.054) 3.313 2.237 ( 1.512 -0.251 -2.015) 2.532 2.341 ( 0.836 -1.023 1.005) 1.661 2.398 ( 2.064 -1.615 2.978) 3.967 2.560 ( -0.803 3.173 2.928) 4.392 2.617 ( 1.002 1.336 -1.991) 2.598 2.627 ( -1.222 1.672 0.933) 2.271 2.685 ( -0.672 -2.134 1.130) 2.507 2.743 ( 2.412 -0.438 -1.664) 2.963 2.757 ( 0.872 -0.428 -2.501) 2.683 2.840 ( 0.809 -1.307 2.457) 2.898 2.930 ( -0.824 2.605 1.754) 3.246 2.960 ( -0.399 -1.842 -0.183) 1.893 2.985 ( -3.646 -5.248 -0.464) 6.407 3.023 ( -0.555 -4.677 3.830) 6.071 3.056 ( -2.443 0.033 -0.333) 2.465 3.111 ( -0.774 -5.694 -1.028) 5.838 3.169 ( -2.238 -2.307 -1.310) 3.471 3.199 ( -0.497 2.014 3.191) 3.806 3.273 ( 2.207 0.542 2.803) 3.609 3.365 ( 2.218 -0.196 2.432) 3.297 3.421 ( -0.932 -1.840 1.963) 2.848 3.471 ( -0.749 1.457 1.757) 2.402 3.509 ( 1.214 1.877 -2.538) 3.382 3.523 ( -0.634 0.402 3.033) 3.124 3.560 ( -1.568 -0.112 -0.901) 1.812 3.599 ( 0.521 0.334 -0.564) 0.837 3.618 ( -1.207 1.987 -1.018) 2.538 3.678 ( 1.977 -4.690 0.003) 5.090 3.761 ( 0.534 0.458 -2.892) 2.976 3.810 ( -2.533 2.213 1.067) 3.528 3.873 ( -2.608 -1.171 -3.019) 4.158 3.950 ( -2.433 1.656 0.575) 2.999 3.989 ( -4.523 -3.714 -3.788) 6.971 4.001 ( -5.987 -0.594 1.045) 6.106 4.070 ( -1.803 0.386 -1.306) 2.260 4.115 ( -4.251 -1.644 -2.725) 5.310 4.124 ( -0.691 1.686 1.805) 2.565 4.164 ( -2.464 -3.209 0.421) 4.068 4.206 ( 1.761 -0.553 1.026) 2.112 4.254 ( -1.371 2.459 0.132) 2.819 4.329 ( -0.231 1.394 2.163) 2.584 4.367 ( -2.237 0.760 0.787) 2.491 4.447 ( 1.593 0.163 -1.935) 2.512 4.508 ( 4.772 0.052 -0.303) 4.782 4.575 ( 1.275 1.215 -5.463) 5.740 4.609 ( -2.042 1.153 -1.576) 2.826 4.712 ( 0.537 -0.591 2.190) 2.331 4.741 ( 1.441 0.060 3.514) 3.798 4.753 ( 4.167 -0.575 0.936) 4.309 4.846 ( 4.829 -2.120 -1.135) 5.394 4.874 ( 7.973 -0.194 -0.562) 7.996 5.049 ( 0.387 3.788 -1.752) 4.192 5.125 ( 0.134 0.322 -0.267) 0.439 5.163 ( -0.871 4.839 3.958) 6.312 5.204 ( 2.345 1.625 1.773) 3.359 5.330 ( -0.222 4.334 -0.240) 4.346 5.360 ( -2.466 3.734 -1.868) 4.849 5.499 ( -0.705 -3.493 2.119) 4.146 5.637 ( 1.431 -7.210 -1.002) 7.419 5.748 ( 0.903 -2.253 2.484) 3.473 5.780 ( 0.381 -1.655 0.429) 1.752 5.886 ( 1.244 0.684 -1.490) 2.058 6.029 ( 2.481 -5.119 -3.306) 6.579 6.239 ( -2.461 4.309 2.774) 5.685 6.328 ( -1.908 2.738 2.384) 4.101 6.416 ( -1.079 -0.949 -1.081) 1.798 6.473 ( -2.911 -3.599 -2.543) 5.281======================= Grid point 65 (31/56) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 1.157 8.120 -3.265) 8.828 0.792 ( 4.678 6.442 0.736) 7.996 0.882 ( -4.135 -0.381 -5.604) 6.975 0.910 ( -0.967 1.281 -2.670) 3.115 1.017 ( -0.379 3.013 0.505) 3.079 1.041 ( 0.167 2.092 -3.163) 3.796 1.101 ( 1.514 0.015 -2.380) 2.821 1.120 ( -2.586 0.956 0.117) 2.759 1.160 ( -0.143 1.932 0.134) 1.942 1.209 ( -0.610 -0.682 4.261) 4.358 1.276 ( 0.002 2.346 -0.768) 2.469 1.311 ( -0.284 0.317 -3.393) 3.420 1.346 ( 1.810 -1.722 -1.586) 2.959 1.364 ( 1.398 2.422 -1.529) 3.187 1.453 ( 1.275 -1.492 0.566) 2.043 1.466 ( 4.394 -0.632 2.671) 5.181 1.545 ( 3.428 -4.271 -0.588) 5.508 1.571 ( 1.587 -1.575 -2.243) 3.167 1.655 ( 0.523 -4.314 -1.501) 4.598 1.699 ( 1.901 -2.606 -3.887) 5.051 1.727 ( 1.231 -9.068 -0.316) 9.157 1.796 ( 3.384 -6.155 -0.459) 7.039 1.852 ( 4.440 4.133 1.722) 6.306 1.947 ( 1.552 1.841 -0.601) 2.481 1.984 ( 2.834 1.948 0.259) 3.448 2.014 ( -1.901 0.871 0.153) 2.097 2.115 ( -1.464 -2.877 2.366) 4.002 2.186 ( -1.524 -6.247 0.950) 6.500 2.247 ( 2.651 -0.438 3.941) 4.770 2.280 ( 2.544 2.450 0.882) 3.641 2.370 ( 0.565 0.275 0.714) 0.951 2.451 ( 3.378 0.098 2.151) 4.006 2.530 ( -2.113 1.429 1.633) 3.029 2.570 ( -3.850 1.864 0.337) 4.290 2.660 ( 2.543 0.565 -1.027) 2.800 2.677 ( 0.225 -1.586 1.770) 2.387 2.753 ( -0.664 0.501 -3.211) 3.317 2.805 ( 2.900 -1.117 -1.056) 3.282 2.855 ( 0.651 -0.081 1.014) 1.208 2.881 ( -4.465 -1.114 -2.448) 5.212 2.930 ( -2.048 -0.990 0.358) 2.303 2.953 ( 0.633 2.556 3.958) 4.753 2.998 ( -1.901 -4.207 1.429) 4.833 3.017 ( -2.176 -0.413 -0.869) 2.380 3.122 ( -1.182 -3.850 -0.396) 4.047 3.133 ( 1.321 -3.091 3.627) 4.945 3.182 ( -0.271 1.713 4.644) 4.957 3.307 ( 0.923 1.427 3.804) 4.166 3.369 ( -2.040 0.511 1.273) 2.458 3.384 ( -1.141 -0.139 2.313) 2.583 3.461 ( 1.506 -1.567 1.590) 2.693 3.519 ( -1.706 -0.526 -1.116) 2.105 3.521 ( 0.873 0.264 3.263) 3.388 3.570 ( 1.276 0.252 -0.979) 1.628 3.615 ( 0.970 4.033 -1.811) 4.526 3.633 ( 2.699 0.395 1.429) 3.080 3.709 ( 1.124 -4.259 -2.017) 4.844 3.741 ( -4.127 0.506 -3.015) 5.136 3.763 ( -1.016 -0.168 -0.685) 1.237 3.837 ( -2.032 -3.294 -1.870) 4.299 3.898 ( -1.665 -2.620 -2.547) 4.015 3.906 ( -1.874 1.239 -0.633) 2.334 3.918 ( -3.514 -1.277 0.162) 3.743 3.993 ( -4.834 0.989 -2.282) 5.436 4.037 ( -3.056 -1.830 -2.055) 4.113 4.077 ( -2.916 -2.984 -4.921) 6.452 4.138 ( -0.958 2.299 5.378) 5.927 4.232 ( -0.265 0.196 3.991) 4.005 4.238 ( -1.217 -0.637 -2.671) 3.003 4.288 ( -2.858 -0.960 -2.550) 3.949 4.341 ( -0.030 0.755 1.795) 1.947 4.474 ( 1.902 0.300 -0.723) 2.057 4.555 ( -0.073 0.979 -0.751) 1.236 4.611 ( 1.474 3.561 -5.725) 6.901 4.661 ( 6.047 1.434 -1.531) 6.400 4.691 ( -0.913 -0.224 2.600) 2.765 4.792 ( 3.476 -0.629 2.162) 4.141 4.855 ( 4.547 -0.031 2.707) 5.292 4.917 ( 2.119 4.314 -2.066) 5.232 4.979 ( 2.636 2.213 -0.871) 3.551 5.061 ( 0.794 2.388 0.059) 2.518 5.117 ( -0.798 -0.597 2.024) 2.256 5.177 ( 1.588 0.927 -1.517) 2.384 5.205 ( -3.275 0.900 0.241) 3.405 5.304 ( -1.725 4.354 1.128) 4.817 5.344 ( 2.682 1.318 -1.056) 3.169 5.503 ( 0.210 -2.913 2.536) 3.868 5.624 ( -2.284 -5.749 -1.802) 6.444 5.758 ( 1.036 -1.242 0.197) 1.630 5.840 ( 3.594 -5.444 0.304) 6.531 5.923 ( 2.915 0.627 -0.394) 3.008 6.047 ( -0.961 -5.014 0.476) 5.128 6.218 ( 1.030 2.544 -0.293) 2.760 6.257 ( -4.780 1.670 2.047) 5.462 6.402 ( -0.598 -0.882 -0.772) 1.315 6.411 ( -3.161 -1.239 -0.664) 3.459======================= Grid point 66 (32/56) =======================q-point: (-0.50 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( 4.403 1.685 -6.850) 8.316 0.781 ( -4.978 1.040 -6.383) 8.161 0.850 ( 0.563 4.350 -0.415) 4.405 0.909 ( 0.214 3.934 -1.500) 4.216 0.990 ( -1.834 5.398 0.412) 5.716 1.055 ( 0.176 -0.856 -0.812) 1.193 1.090 ( -0.536 1.021 -1.534) 1.919 1.136 ( 2.211 1.230 -1.410) 2.897 1.171 ( 1.732 1.280 3.331) 3.967 1.185 ( -2.139 -0.306 3.162) 3.830 1.267 ( -0.095 3.538 -3.215) 4.782 1.313 ( 0.879 0.840 -2.895) 3.140 1.386 ( 0.531 -0.397 -4.520) 4.568 1.396 ( 2.561 0.277 -1.212) 2.847 1.452 ( -0.465 -2.418 0.011) 2.462 1.480 ( -1.177 -1.987 1.270) 2.636 1.592 ( -0.664 -3.559 -0.984) 3.751 1.612 ( 2.108 -6.515 -1.811) 7.083 1.650 ( -0.269 -4.455 -0.999) 4.573 1.675 ( -1.961 -3.811 -4.803) 6.437 1.782 ( -0.770 -4.376 4.399) 6.252 1.837 ( 1.096 -2.703 -0.972) 3.075 1.895 ( -2.513 3.373 0.512) 4.237 1.963 ( -0.208 -0.173 0.633) 0.689 1.983 ( 2.278 1.600 3.601) 4.552 2.032 ( 0.836 -1.223 -1.982) 2.474 2.116 ( 1.166 -2.187 2.127) 3.266 2.165 ( -0.515 -5.422 0.803) 5.505 2.270 ( -1.983 2.823 4.312) 5.522 2.325 ( 1.429 2.567 3.178) 4.328 2.357 ( 0.386 -1.141 0.374) 1.261 2.472 ( -2.821 -1.081 3.313) 4.484 2.509 ( -1.851 3.097 -0.507) 3.644 2.524 ( 3.062 1.155 -0.270) 3.284 2.685 ( 0.589 -1.241 1.133) 1.781 2.707 ( 1.616 0.364 -0.965) 1.917 2.723 ( -2.714 0.326 -1.362) 3.054 2.818 ( -0.957 -0.802 -0.490) 1.341 2.850 ( 2.174 0.712 -0.712) 2.396 2.861 ( -1.429 0.284 -0.945) 1.737 2.886 ( -2.111 -1.751 -2.284) 3.569 2.949 ( -0.670 -3.165 -3.000) 4.412 2.991 ( 0.250 2.178 3.412) 4.056 3.005 ( 2.602 0.564 5.723) 6.312 3.082 ( -1.744 -0.723 3.289) 3.792 3.178 ( 2.198 0.326 5.207) 5.661 3.197 ( 1.827 -2.833 4.036) 5.259 3.313 ( -0.274 3.394 3.198) 4.671 3.339 ( -0.195 -2.932 2.204) 3.673 3.392 ( 1.125 2.236 -1.872) 3.126 3.482 ( -2.265 0.040 1.184) 2.556 3.509 ( 2.268 -2.421 1.576) 3.672 3.538 ( -0.015 -2.105 -0.377) 2.139 3.562 ( -0.129 0.658 1.096) 1.284 3.636 ( 0.200 1.317 -1.633) 2.107 3.651 ( -1.702 -1.125 -2.395) 3.146 3.669 ( -2.025 0.794 -2.271) 3.144 3.728 ( -1.794 -2.587 1.420) 3.454 3.747 ( 2.709 -2.139 0.171) 3.456 3.797 ( -1.722 -1.050 -2.933) 3.559 3.875 ( 0.257 -2.435 -1.747) 3.008 3.896 ( -0.776 -1.196 -1.636) 2.170 3.922 ( 3.642 1.798 -0.367) 4.078 3.956 ( 1.697 -0.178 0.305) 1.734 4.001 ( -0.453 -0.963 -3.330) 3.496 4.055 ( 0.942 -3.110 -4.483) 5.536 4.114 ( -2.804 1.653 -0.700) 3.329 4.161 ( -3.676 -1.371 2.651) 4.735 4.217 ( -0.527 -2.218 -2.608) 3.464 4.279 ( 0.386 -1.524 2.437) 2.900 4.356 ( 1.216 1.393 0.127) 1.853 4.525 ( 2.890 -0.192 -0.110) 2.899 4.548 ( -0.403 2.584 -2.128) 3.371 4.602 ( -1.640 3.830 -3.367) 5.357 4.685 ( -0.952 -0.075 -0.684) 1.175 4.735 ( 0.716 2.391 -0.222) 2.505 4.838 ( 0.496 -0.815 3.338) 3.472 4.881 ( -2.043 2.699 0.762) 3.470 4.959 ( 1.798 7.226 -0.213) 7.449 5.005 ( 0.883 2.199 -1.442) 2.774 5.072 ( -0.148 2.198 0.164) 2.209 5.097 ( -0.281 0.537 0.384) 0.717 5.143 ( -0.106 -1.296 0.340) 1.344 5.181 ( -1.034 -0.099 0.095) 1.043 5.340 ( 3.766 1.889 -0.323) 4.226 5.389 ( 0.354 2.202 -1.531) 2.705 5.485 ( -1.558 -2.927 3.250) 4.643 5.587 ( -0.676 -6.154 -1.455) 6.360 5.796 ( 2.518 -0.999 0.506) 2.756 5.855 ( -1.341 -4.388 -2.628) 5.287 5.977 ( -0.553 -2.573 2.253) 3.464 6.002 ( -2.188 -3.941 1.487) 4.747 6.179 ( -1.513 3.196 1.547) 3.860 6.286 ( 4.688 -0.798 -2.688) 5.463 6.355 ( -1.895 0.465 1.394) 2.398 6.401 ( 0.169 -1.135 -0.439) 1.229======================= Grid point 68 (33/56) =======================q-point: (-0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( -2.338 6.921 -2.958) 7.882 0.812 ( -3.104 4.774 0.283) 5.701 0.841 ( 5.782 0.481 -4.914) 7.603 0.914 ( 0.372 4.827 -3.501) 5.975 0.949 ( -2.303 4.938 -1.477) 5.645 1.047 ( -0.766 -2.167 -0.061) 2.299 1.093 ( 0.731 0.504 -2.417) 2.575 1.133 ( -2.424 -1.876 1.380) 3.361 1.180 ( 1.704 2.020 1.481) 3.029 1.210 ( 1.947 0.954 0.814) 2.316 1.291 ( 1.877 3.370 -1.467) 4.127 1.337 ( 0.993 1.010 -0.862) 1.658 1.361 ( -3.242 -1.052 -5.061) 6.102 1.425 ( 1.465 0.462 3.737) 4.040 1.451 ( -0.650 -0.183 0.307) 0.742 1.461 ( -0.543 -2.966 -0.769) 3.112 1.540 ( -3.949 -6.683 -2.041) 8.026 1.612 ( -3.423 -0.654 -1.693) 3.875 1.636 ( 1.132 -3.315 -2.852) 4.517 1.646 ( -4.119 -3.819 -0.615) 5.651 1.698 ( -4.734 -4.994 0.349) 6.891 1.767 ( -4.496 1.176 -0.544) 4.679 1.860 ( -3.419 -0.986 -0.354) 3.576 1.951 ( -1.208 1.978 1.211) 2.615 2.022 ( -1.161 -1.692 -1.459) 2.518 2.038 ( 2.443 -0.356 1.030) 2.675 2.108 ( -2.880 -0.288 2.107) 3.580 2.162 ( 1.108 -4.102 0.017) 4.248 2.251 ( 1.172 0.647 3.218) 3.485 2.305 ( -2.664 -1.817 -0.224) 3.232 2.352 ( -2.829 2.231 3.979) 5.369 2.437 ( -0.414 -1.614 3.531) 3.904 2.512 ( 2.037 1.770 0.007) 2.698 2.583 ( 2.520 1.329 0.017) 2.849 2.658 ( -2.960 0.002 -2.095) 3.626 2.694 ( -0.091 1.536 1.538) 2.176 2.723 ( 0.334 -0.359 -0.144) 0.511 2.798 ( -2.786 0.408 -1.253) 3.082 2.852 ( -0.226 -3.150 -1.120) 3.350 2.857 ( 2.530 -3.647 1.493) 4.683 2.873 ( 0.305 0.011 -2.484) 2.503 2.968 ( 1.270 -1.357 0.685) 1.980 3.010 ( 0.805 -1.272 0.411) 1.561 3.038 ( 2.444 1.578 1.821) 3.432 3.125 ( 4.962 1.306 7.034) 8.706 3.202 ( 0.698 -2.732 5.421) 6.111 3.211 ( -1.289 0.750 -0.790) 1.688 3.314 ( 0.636 0.956 4.536) 4.679 3.358 ( 1.338 -2.160 0.544) 2.599 3.409 ( -0.452 -0.045 -2.215) 2.261 3.428 ( -2.709 0.190 2.295) 3.556 3.483 ( -2.194 0.229 1.744) 2.812 3.540 ( -0.738 -0.373 -1.404) 1.630 3.589 ( 0.488 -2.648 -1.481) 3.073 3.603 ( 0.030 1.815 1.178) 2.164 3.629 ( -0.722 -0.812 -0.153) 1.097 3.670 ( 0.493 0.989 -2.457) 2.694 3.716 ( 1.133 -1.853 2.365) 3.211 3.789 ( 1.064 0.374 -6.013) 6.118 3.810 ( 3.576 -1.873 2.001) 4.506 3.890 ( 0.565 -0.450 -4.087) 4.151 3.913 ( 3.182 -2.228 0.550) 3.924 3.989 ( 1.119 -0.683 -0.770) 1.520 4.010 ( 1.182 1.786 -5.303) 5.719 4.034 ( 3.320 -1.419 -0.600) 3.660 4.045 ( 1.079 1.220 -1.167) 2.003 4.114 ( 5.380 -3.344 -0.610) 6.364 4.150 ( 1.478 -0.737 3.686) 4.039 4.241 ( 2.865 -2.688 0.136) 3.931 4.275 ( -0.724 -2.866 2.008) 3.573 4.370 ( -0.411 2.673 -2.409) 3.622 4.537 ( -0.778 2.067 -3.215) 3.900 4.558 ( -0.563 0.011 -1.767) 1.855 4.582 ( -0.327 2.797 -0.129) 2.819 4.644 ( -1.714 1.042 0.697) 2.123 4.695 ( -4.380 1.985 -0.772) 4.870 4.802 ( -3.379 -0.305 1.230) 3.609 4.823 ( -3.384 3.168 1.926) 5.020 4.931 ( -4.456 2.680 2.351) 5.706 4.986 ( -2.852 -2.664 -3.453) 5.211 5.082 ( 1.462 3.380 -1.219) 3.879 5.129 ( 0.438 3.243 3.148) 4.541 5.170 ( 2.193 0.516 -0.136) 2.257 5.206 ( 4.498 3.104 -1.252) 5.607 5.329 ( -5.429 2.441 1.570) 6.157 5.372 ( -0.808 2.684 -1.292) 3.086 5.491 ( 1.926 -3.944 2.320) 4.964 5.601 ( 1.261 -5.756 -1.671) 6.124 5.821 ( -1.491 -1.956 -1.370) 2.815 5.832 ( 0.036 -0.874 0.962) 1.300 5.905 ( -3.816 -2.745 -0.310) 4.711 5.955 ( -2.841 -6.061 1.327) 6.823 6.216 ( 3.909 3.747 0.333) 5.425 6.326 ( 0.031 0.140 2.401) 2.405 6.392 ( 4.592 -1.324 -2.256) 5.284 6.411 ( 0.928 -1.133 -0.304) 1.496======================= Grid point 69 (34/56) =======================q-point: (-0.17 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 0.034 11.121 3.092) 11.543 0.749 ( -1.977 9.564 2.743) 10.144 0.899 ( -1.863 5.671 -2.205) 6.364 0.925 ( 1.514 4.206 -5.882) 7.387 0.961 ( 4.189 -0.478 -4.255) 5.990 1.033 ( -0.449 -1.138 -0.933) 1.539 1.094 ( -0.800 -2.695 2.756) 3.937 1.120 ( 0.829 -1.049 -0.851) 1.585 1.191 ( -0.611 0.504 0.282) 0.841 1.244 ( 0.593 0.681 -1.434) 1.695 1.268 ( -3.586 5.631 0.667) 6.709 1.306 ( -0.901 -1.434 0.949) 1.942 1.340 ( -1.476 0.352 2.254) 2.717 1.398 ( -3.639 -3.573 0.626) 5.138 1.421 ( -3.212 -1.215 0.023) 3.434 1.473 ( -3.617 0.544 -0.031) 3.658 1.499 ( 1.013 -3.770 -0.935) 4.015 1.518 ( 0.464 0.101 0.123) 0.490 1.567 ( -1.930 -1.924 -2.536) 3.723 1.642 ( -2.920 -0.685 -2.035) 3.625 1.675 ( 1.959 -0.186 -2.940) 3.538 1.720 ( 0.329 -2.056 -3.771) 4.308 1.795 ( -2.343 -3.719 -0.878) 4.482 1.923 ( -2.029 -0.670 -2.328) 3.160 1.971 ( -2.850 0.557 2.889) 4.096 2.046 ( -0.760 1.502 -2.029) 2.637 2.113 ( 2.218 -1.490 0.838) 2.800 2.177 ( 0.129 -2.711 -0.650) 2.790 2.241 ( -3.125 -0.646 -0.457) 3.224 2.264 ( -1.306 -2.042 0.766) 2.542 2.312 ( 0.205 -0.271 4.215) 4.229 2.422 ( -1.427 -2.617 3.308) 4.453 2.548 ( 0.483 2.800 2.463) 3.760 2.598 ( 0.788 1.046 -1.639) 2.098 2.640 ( 0.306 -0.790 -0.686) 1.090 2.690 ( -0.136 0.756 0.763) 1.083 2.722 ( -0.620 -0.617 -1.517) 1.751 2.755 ( -1.517 -0.520 -0.811) 1.797 2.856 ( -0.709 -1.982 1.718) 2.717 2.891 ( 3.171 -3.790 3.785) 6.224 2.922 ( 2.231 -1.000 -1.473) 2.854 2.977 ( 1.039 -3.384 -0.434) 3.566 3.035 ( 2.158 -0.515 0.259) 2.233 3.096 ( 2.262 1.042 1.858) 3.107 3.159 ( -0.886 -1.505 -1.481) 2.289 3.196 ( -1.005 -1.142 3.883) 4.170 3.217 ( -0.175 -2.535 0.894) 2.694 3.310 ( -2.127 -3.603 0.642) 4.233 3.338 ( -1.785 0.669 2.003) 2.766 3.367 ( 0.318 3.501 2.117) 4.103 3.423 ( 0.223 -1.170 3.571) 3.764 3.488 ( 1.894 1.455 -0.804) 2.520 3.540 ( 1.054 -1.106 -1.500) 2.141 3.575 ( -1.427 2.280 -3.421) 4.352 3.596 ( 0.117 -3.669 2.046) 4.203 3.634 ( -0.082 -2.372 0.520) 2.430 3.689 ( 0.254 2.355 -1.542) 2.827 3.744 ( 1.543 1.461 0.518) 2.187 3.837 ( 3.239 -0.798 -2.497) 4.167 3.867 ( 2.046 -2.167 -0.414) 3.009 3.916 ( 2.778 0.639 -3.207) 4.291 3.980 ( 3.390 0.929 3.135) 4.710 3.994 ( 1.743 -0.635 0.009) 1.855 4.054 ( 3.137 -0.663 -3.588) 4.812 4.079 ( 2.762 1.921 0.112) 3.366 4.116 ( 2.740 -2.156 -2.208) 4.127 4.186 ( 1.565 1.538 1.626) 2.731 4.238 ( 3.980 -2.134 -2.591) 5.207 4.256 ( -0.044 -0.455 3.505) 3.535 4.320 ( 4.454 -2.702 2.567) 5.808 4.330 ( -1.664 1.262 -1.641) 2.656 4.511 ( -3.181 -0.381 -0.787) 3.299 4.528 ( -0.093 0.115 -3.189) 3.193 4.562 ( -3.562 0.440 -2.425) 4.332 4.613 ( -1.380 2.302 2.203) 3.472 4.652 ( 1.056 -0.258 -0.145) 1.096 4.735 ( -3.932 1.280 -0.600) 4.179 4.746 ( -4.063 2.609 1.415) 5.032 4.840 ( -3.865 -1.198 2.234) 4.622 4.906 ( -5.039 -2.543 -1.528) 5.847 5.090 ( -1.500 4.207 -1.304) 4.653 5.125 ( 0.774 1.798 0.103) 1.960 5.198 ( -5.013 1.351 2.000) 5.564 5.214 ( 0.450 3.185 4.544) 5.568 5.304 ( 3.038 6.485 -2.054) 7.450 5.348 ( -0.563 2.538 -1.334) 2.922 5.519 ( 0.864 -4.276 2.130) 4.855 5.610 ( -0.401 -5.687 -1.155) 5.817 5.782 ( -2.271 -1.701 1.864) 3.395 5.815 ( -1.413 -2.696 2.190) 3.750 5.862 ( -0.074 -0.458 -1.626) 1.691 5.942 ( 0.788 -3.679 -3.535) 5.162 6.281 ( 2.295 3.870 1.331) 4.693 6.325 ( -0.091 1.921 2.671) 3.291 6.426 ( 0.775 -1.158 -0.352) 1.437 6.474 ( 3.377 -3.871 -3.113) 6.007======================= Grid point 70 (35/56) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( -1.040 -7.125 3.622) 8.060 0.864 ( -1.040 7.125 3.622) 8.060 0.961 ( 0.442 -6.051 0.403) 6.081 0.961 ( 0.442 6.051 0.403) 6.081 1.024 ( 2.366 -2.497 -2.251) 4.111 1.024 ( 2.366 2.497 -2.251) 4.111 1.107 ( 0.329 -1.374 0.348) 1.455 1.107 ( 0.329 1.374 0.348) 1.455 1.157 ( -2.561 -1.641 -2.758) 4.106 1.157 ( -2.561 1.641 -2.758) 4.106 1.262 ( 1.860 -0.359 0.662) 2.006 1.262 ( 1.860 0.359 0.662) 2.006 1.326 ( -1.856 -1.155 0.270) 2.203 1.326 ( -1.856 1.155 0.270) 2.203 1.399 ( -1.450 -1.583 -0.293) 2.167 1.399 ( -1.450 1.583 -0.293) 2.167 1.507 ( 1.872 -1.157 0.692) 2.307 1.507 ( 1.872 1.157 0.692) 2.307 1.598 ( -0.461 -1.677 -2.190) 2.797 1.598 ( -0.461 1.677 -2.190) 2.797 1.692 ( -1.625 -0.620 -3.045) 3.507 1.692 ( -1.625 0.620 -3.045) 3.507 1.814 ( 1.676 -4.317 -3.774) 5.974 1.814 ( 1.676 4.317 -3.774) 5.974 2.048 ( -0.136 -4.548 2.868) 5.379 2.048 ( -0.136 4.548 2.868) 5.379 2.112 ( 0.378 -1.882 0.469) 1.976 2.112 ( 0.378 1.882 0.469) 1.976 2.200 ( -0.286 -1.184 0.226) 1.239 2.200 ( -0.286 1.184 0.226) 1.239 2.320 ( -0.474 -2.258 0.397) 2.341 2.320 ( -0.474 2.258 0.397) 2.341 2.620 ( 0.560 -0.525 0.126) 0.778 2.620 ( 0.560 0.525 0.126) 0.778 2.643 ( -0.087 -2.701 0.993) 2.879 2.643 ( -0.087 2.701 0.993) 2.879 2.730 ( 0.133 -0.839 -0.657) 1.073 2.730 ( 0.133 0.839 -0.657) 1.073 2.861 ( 0.500 -3.298 4.480) 5.585 2.861 ( 0.500 3.298 4.480) 5.585 2.937 ( 1.233 -1.669 -2.295) 3.094 2.937 ( 1.233 1.669 -2.295) 3.094 3.070 ( -3.744 -3.182 -2.447) 5.489 3.070 ( -3.744 3.182 -2.447) 5.489 3.135 ( 0.004 -2.885 1.172) 3.114 3.135 ( 0.004 2.885 1.172) 3.114 3.209 ( 1.085 -2.311 1.489) 2.956 3.209 ( 1.085 2.311 1.489) 2.956 3.395 ( -0.729 -2.235 3.401) 4.135 3.395 ( -0.729 2.235 3.401) 4.135 3.487 ( 2.383 -3.906 1.407) 4.787 3.487 ( 2.383 3.906 1.407) 4.787 3.535 ( 0.742 -1.592 -0.535) 1.836 3.535 ( 0.742 1.592 -0.535) 1.836 3.598 ( -0.538 -1.388 -0.942) 1.762 3.598 ( -0.538 1.388 -0.942) 1.762 3.741 ( -1.916 -3.328 -3.332) 5.084 3.741 ( -1.916 3.328 -3.332) 5.084 3.865 ( 0.685 -3.358 -0.099) 3.428 3.865 ( 0.685 3.358 -0.099) 3.428 3.989 ( 2.097 -0.827 -2.297) 3.218 3.989 ( 2.097 0.827 -2.297) 3.218 4.088 ( -1.006 -1.393 -2.501) 3.034 4.088 ( -1.006 1.393 -2.501) 3.034 4.111 ( 1.691 -2.827 -0.800) 3.390 4.111 ( 1.691 2.827 -0.800) 3.390 4.197 ( -4.166 -1.329 1.984) 4.802 4.197 ( -4.166 1.329 1.984) 4.802 4.314 ( 3.130 -2.788 5.436) 6.864 4.314 ( 3.130 2.788 5.436) 6.864 4.445 ( 1.619 -1.240 -0.435) 2.086 4.445 ( 1.619 1.240 -0.435) 2.086 4.485 ( -1.922 -2.948 -1.840) 3.971 4.485 ( -1.922 2.948 -1.840) 3.971 4.660 ( 2.006 -1.928 1.207) 3.033 4.660 ( 2.006 1.928 1.207) 3.033 4.729 ( -2.389 -0.569 -2.440) 3.462 4.729 ( -2.389 0.569 -2.440) 3.462 4.767 ( -0.001 -2.441 1.088) 2.673 4.767 ( -0.001 2.441 1.088) 2.673 5.115 ( -0.804 -1.543 -0.718) 1.882 5.115 ( -0.804 1.543 -0.718) 1.882 5.230 ( -0.245 -2.350 3.490) 4.215 5.230 ( -0.245 2.350 3.490) 4.215 5.434 ( 0.023 -4.381 0.031) 4.381 5.434 ( 0.023 4.381 0.031) 4.381 5.464 ( 0.278 -2.706 -0.300) 2.736 5.464 ( 0.278 2.706 -0.300) 2.736 5.751 ( -0.680 -1.275 1.505) 2.087 5.751 ( -0.680 1.275 1.505) 2.087 5.908 ( 1.218 -2.457 -3.218) 4.228 5.908 ( 1.218 2.457 -3.218) 4.228 6.382 ( -0.825 -4.357 0.349) 4.448 6.382 ( -0.825 4.357 0.349) 4.448 6.401 ( 0.434 -3.635 0.076) 3.662 6.401 ( 0.434 3.635 0.076) 3.662======================= Grid point 72 (36/56) =======================q-point: ( 0.17 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( 0.061 -4.417 2.503) 5.078 0.852 ( 0.061 4.417 2.503) 5.078 0.933 ( -3.484 -3.877 -3.164) 6.098 0.933 ( -3.484 3.877 -3.164) 6.098 1.052 ( -0.100 -1.881 -1.739) 2.563 1.052 ( -0.100 1.881 -1.739) 2.563 1.130 ( 0.838 -4.630 1.072) 4.826 1.130 ( 0.838 4.630 1.072) 4.826 1.144 ( 2.626 -1.032 -0.662) 2.898 1.144 ( 2.626 1.032 -0.662) 2.898 1.294 ( -0.243 -0.463 -0.283) 0.595 1.294 ( -0.243 0.463 -0.283) 0.595 1.341 ( 4.096 -2.509 -0.698) 4.854 1.341 ( 4.096 2.509 -0.698) 4.854 1.403 ( 2.041 -1.587 0.177) 2.591 1.403 ( 2.041 1.587 0.177) 2.591 1.536 ( 0.876 -3.202 0.606) 3.374 1.536 ( 0.876 3.202 0.606) 3.374 1.548 ( -2.584 -6.411 0.175) 6.915 1.548 ( -2.584 6.411 0.175) 6.915 1.679 ( -0.061 -0.646 -5.220) 5.260 1.679 ( -0.061 0.646 -5.220) 5.260 1.867 ( 3.182 -4.576 -3.441) 6.551 1.867 ( 3.182 4.576 -3.441) 6.551 2.053 ( 0.826 -3.742 3.616) 5.269 2.053 ( 0.826 3.742 3.616) 5.269 2.100 ( -1.789 -2.277 1.077) 3.090 2.100 ( -1.789 2.277 1.077) 3.090 2.222 ( 2.442 -1.946 0.912) 3.253 2.222 ( 2.442 1.946 0.912) 3.253 2.344 ( 2.801 -2.071 0.481) 3.516 2.344 ( 2.801 2.071 0.481) 3.516 2.616 ( -1.330 -1.575 0.229) 2.075 2.616 ( -1.330 1.575 0.229) 2.075 2.647 ( 0.654 -1.280 0.948) 1.722 2.647 ( 0.654 1.280 0.948) 1.722 2.745 ( 1.314 -0.400 -0.683) 1.534 2.745 ( 1.314 0.400 -0.683) 1.534 2.877 ( 0.509 -3.651 0.976) 3.813 2.877 ( 0.509 3.651 0.976) 3.813 2.939 ( -0.800 -1.357 -0.253) 1.596 2.939 ( -0.800 1.357 -0.253) 1.596 3.011 ( -1.398 -3.849 -0.591) 4.138 3.011 ( -1.398 3.849 -0.591) 4.138 3.106 ( -2.259 -3.121 0.793) 3.933 3.106 ( -2.259 3.121 0.793) 3.933 3.251 ( 1.497 -2.193 2.472) 3.628 3.251 ( 1.497 2.193 2.472) 3.628 3.383 ( 0.123 -1.401 2.552) 2.914 3.383 ( 0.123 1.401 2.552) 2.914 3.513 ( -1.111 -2.577 -0.165) 2.811 3.513 ( -1.111 2.577 -0.165) 2.811 3.549 ( 0.513 -1.982 2.145) 2.965 3.549 ( 0.513 1.982 2.145) 2.965 3.586 ( 1.030 -1.647 -0.386) 1.980 3.586 ( 1.030 1.647 -0.386) 1.980 3.726 ( 0.142 -4.267 -2.486) 4.940 3.726 ( 0.142 4.267 -2.486) 4.940 3.855 ( -1.145 -2.350 -2.490) 3.610 3.855 ( -1.145 2.350 -2.490) 3.610 3.939 ( -7.064 -2.331 -2.141) 7.740 3.939 ( -7.064 2.331 -2.141) 7.740 4.026 ( -2.800 -2.690 -2.319) 4.523 4.026 ( -2.800 2.690 -2.319) 4.523 4.111 ( -4.356 -0.874 -1.717) 4.763 4.111 ( -4.356 0.874 -1.717) 4.763 4.176 ( 2.283 -1.921 4.312) 5.244 4.176 ( 2.283 1.921 4.312) 5.244 4.300 ( -2.626 -2.000 1.978) 3.848 4.300 ( -2.626 2.000 1.978) 3.848 4.443 ( -1.103 -1.709 -2.385) 3.135 4.443 ( -1.103 1.709 -2.385) 3.135 4.536 ( 4.904 -3.697 1.441) 6.308 4.536 ( 4.904 3.697 1.441) 6.308 4.678 ( -1.057 -3.817 -1.304) 4.170 4.678 ( -1.057 3.817 -1.304) 4.170 4.724 ( 3.808 -1.621 0.618) 4.184 4.724 ( 3.808 1.621 0.618) 4.184 4.858 ( 7.407 -1.719 -0.281) 7.609 4.858 ( 7.407 1.719 -0.281) 7.609 5.109 ( -0.188 -1.785 -0.263) 1.814 5.109 ( -0.188 1.785 -0.263) 1.814 5.227 ( -0.239 -0.287 2.401) 2.429 5.227 ( -0.239 0.287 2.401) 2.429 5.416 ( -2.764 -2.553 0.175) 3.767 5.416 ( -2.764 2.553 0.175) 3.767 5.477 ( 1.848 -6.215 -0.322) 6.491 5.477 ( 1.848 6.215 -0.322) 6.491 5.744 ( 0.153 -1.284 1.361) 1.878 5.744 ( 0.153 1.284 1.361) 1.878 5.933 ( 1.342 -3.578 -2.565) 4.603 5.933 ( 1.342 3.578 -2.565) 4.603 6.335 ( -3.605 -3.750 0.365) 5.215 6.335 ( -3.605 3.750 0.365) 5.215 6.405 ( -0.301 -1.815 0.173) 1.848 6.405 ( -0.301 1.815 0.173) 1.848======================= Grid point 74 (37/56) =======================q-point: ( 0.33 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -3.618 -5.403 -5.370) 8.433 0.825 ( -3.618 5.403 -5.370) 8.433 0.900 ( 1.459 -2.755 -0.001) 3.118 0.900 ( 1.459 2.755 -0.001) 3.118 1.045 ( -0.426 -0.544 -1.148) 1.340 1.045 ( -0.426 0.544 -1.148) 1.340 1.143 ( 0.814 -2.532 1.439) 3.024 1.143 ( 0.814 2.532 1.439) 3.024 1.185 ( 0.759 -3.101 1.691) 3.613 1.185 ( 0.759 3.101 1.691) 3.613 1.304 ( 1.235 -0.965 -2.005) 2.545 1.304 ( 1.235 0.965 -2.005) 2.545 1.375 ( 0.158 -4.585 -3.948) 6.053 1.375 ( 0.158 4.585 -3.948) 6.053 1.452 ( 0.241 -5.278 1.541) 5.504 1.452 ( 0.241 5.278 1.541) 5.504 1.521 ( 0.844 -4.584 -1.265) 4.830 1.521 ( 0.844 4.584 -1.265) 4.830 1.586 ( 2.999 -3.771 2.777) 5.562 1.586 ( 2.999 3.771 2.777) 5.562 1.691 ( 2.467 -3.176 -5.514) 6.825 1.691 ( 2.467 3.176 -5.514) 6.825 1.933 ( 3.531 -2.895 -1.053) 4.685 1.933 ( 3.531 2.895 -1.053) 4.685 2.045 ( -3.178 -2.291 1.075) 4.063 2.045 ( -3.178 2.291 1.075) 4.063 2.079 ( 1.161 -2.361 3.358) 4.266 2.079 ( 1.161 2.361 3.358) 4.266 2.279 ( 2.931 -2.602 2.324) 4.557 2.279 ( 2.931 2.602 2.324) 4.557 2.405 ( 2.907 -3.278 1.457) 4.617 2.405 ( 2.907 3.278 1.457) 4.617 2.571 ( -3.162 -1.835 0.639) 3.711 2.571 ( -3.162 1.835 0.639) 3.711 2.666 ( 1.386 -0.147 0.448) 1.464 2.666 ( 1.386 0.147 0.448) 1.464 2.772 ( 1.267 -1.779 -2.427) 3.265 2.772 ( 1.267 1.779 -2.427) 3.265 2.857 ( -1.542 -0.330 -2.586) 3.029 2.857 ( -1.542 0.330 -2.586) 3.029 2.917 ( -2.033 -0.280 -0.864) 2.227 2.917 ( -2.033 0.280 -0.864) 2.227 3.032 ( 3.054 -4.203 4.949) 7.176 3.032 ( 3.054 4.203 4.949) 7.176 3.066 ( -1.806 -2.768 1.861) 3.793 3.066 ( -1.806 2.768 1.861) 3.793 3.255 ( -0.587 -4.398 3.381) 5.578 3.255 ( -0.587 4.398 3.381) 5.578 3.396 ( 1.346 -1.113 1.499) 2.302 3.396 ( 1.346 1.113 1.499) 2.302 3.463 ( -2.705 -3.632 0.203) 4.533 3.463 ( -2.705 3.632 0.203) 4.533 3.565 ( 0.242 -1.873 2.006) 2.755 3.565 ( 0.242 1.873 2.006) 2.755 3.623 ( 1.716 -1.796 -0.743) 2.593 3.623 ( 1.716 1.796 -0.743) 2.593 3.727 ( -0.421 -4.097 0.410) 4.139 3.727 ( -0.421 4.097 0.410) 4.139 3.812 ( -4.145 -2.922 -3.434) 6.125 3.812 ( -4.145 2.923 -3.434) 6.125 3.838 ( -1.264 -2.539 -1.284) 3.114 3.838 ( -1.264 2.539 -1.284) 3.114 3.965 ( -2.862 -2.397 -1.601) 4.062 3.965 ( -2.862 2.397 -1.601) 4.062 4.033 ( -3.171 -1.202 -4.317) 5.490 4.033 ( -3.171 1.202 -4.317) 5.490 4.196 ( -0.260 -2.665 4.400) 5.151 4.196 ( -0.260 2.665 4.400) 5.151 4.251 ( -3.000 -1.469 -1.133) 3.527 4.251 ( -3.000 1.469 -1.133) 3.527 4.419 ( -0.282 -4.333 -2.193) 4.864 4.419 ( -0.282 4.333 -2.193) 4.864 4.628 ( 3.617 -3.201 1.607) 5.090 4.628 ( 3.617 3.201 1.607) 5.090 4.678 ( 0.945 -1.448 -3.219) 3.654 4.678 ( 0.945 1.448 -3.219) 3.654 4.808 ( 4.478 -3.072 2.789) 6.104 4.808 ( 4.478 3.072 2.789) 6.104 4.990 ( 5.873 -1.382 -1.318) 6.175 4.990 ( 5.873 1.382 -1.318) 6.175 5.102 ( -0.420 -1.267 1.373) 1.915 5.102 ( -0.420 1.267 1.373) 1.915 5.200 ( -3.438 -1.332 -0.445) 3.713 5.200 ( -3.438 1.332 -0.445) 3.713 5.370 ( -0.437 -1.781 0.874) 2.031 5.370 ( -0.437 1.781 0.874) 2.031 5.500 ( -0.231 -4.397 -0.621) 4.447 5.500 ( -0.231 4.397 -0.621) 4.447 5.763 ( 1.618 -1.911 0.658) 2.589 5.763 ( 1.618 1.911 0.658) 2.589 5.959 ( 1.222 -2.960 -0.389) 3.226 5.959 ( 1.222 2.960 -0.389) 3.226 6.266 ( -2.886 -1.313 -0.022) 3.171 6.266 ( -2.886 1.313 -0.022) 3.171 6.390 ( -1.237 -0.444 0.271) 1.342 6.390 ( -1.237 0.444 0.271) 1.342======================= Grid point 76 (38/56) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( -0.473 -2.009 -7.512) 7.791 0.779 ( -0.473 2.009 -7.512) 7.791 0.932 ( 1.083 -2.539 1.048) 2.953 0.932 ( 1.083 2.539 1.048) 2.953 1.038 ( -0.240 -0.753 -0.662) 1.031 1.038 ( -0.240 0.753 -0.662) 1.031 1.151 ( -1.632 -2.389 -0.609) 2.957 1.151 ( -1.632 2.389 -0.609) 2.957 1.181 ( 0.726 -0.601 3.637) 3.757 1.181 ( 0.726 0.601 3.637) 3.757 1.337 ( 1.657 -2.979 -2.196) 4.055 1.337 ( 1.657 2.979 -2.196) 4.055 1.368 ( -0.420 -3.758 -4.838) 6.140 1.368 ( -0.420 3.758 -4.838) 6.140 1.441 ( -0.345 -1.982 2.002) 2.838 1.441 ( -0.345 1.982 2.002) 2.838 1.532 ( -0.509 -4.621 -3.050) 5.560 1.532 ( -0.509 4.621 -3.050) 5.560 1.607 ( 0.403 -3.282 0.202) 3.312 1.607 ( 0.403 3.282 0.202) 3.312 1.753 ( 0.689 -3.209 -1.146) 3.477 1.753 ( 0.689 3.209 -1.146) 3.477 1.977 ( 0.519 -3.037 -0.308) 3.096 1.977 ( 0.519 3.037 -0.308) 3.096 1.998 ( -0.499 -2.261 0.732) 2.428 1.998 ( -0.499 2.261 0.732) 2.428 2.098 ( 0.578 -2.052 3.139) 3.794 2.098 ( 0.578 2.052 3.139) 3.794 2.308 ( -0.361 -2.536 2.869) 3.846 2.308 ( -0.361 2.536 2.869) 3.846 2.422 ( -1.294 -4.061 3.356) 5.425 2.422 ( -1.294 4.061 3.356) 5.425 2.535 ( 0.412 -0.875 -0.937) 1.347 2.535 ( 0.412 0.875 -0.937) 1.347 2.687 ( 0.489 -1.575 -0.022) 1.649 2.687 ( 0.489 1.575 -0.022) 1.649 2.777 ( -0.557 -3.615 -3.480) 5.049 2.777 ( -0.557 3.615 -3.480) 5.049 2.844 ( -1.745 -0.863 -2.512) 3.178 2.844 ( -1.745 0.863 -2.512) 3.178 2.883 ( 0.607 -1.430 0.092) 1.556 2.883 ( 0.607 1.430 0.092) 1.556 3.037 ( -0.814 -1.483 2.386) 2.925 3.037 ( -0.814 1.483 2.386) 2.925 3.102 ( 3.476 -4.951 6.286) 8.724 3.102 ( 3.476 4.951 6.286) 8.724 3.241 ( -0.316 -4.721 3.791) 6.063 3.241 ( -0.316 4.721 3.791) 6.063 3.415 ( -1.462 -4.319 1.577) 4.825 3.415 ( -1.462 4.319 1.577) 4.825 3.453 ( 3.078 -1.244 -1.696) 3.728 3.453 ( 3.078 1.244 -1.696) 3.728 3.542 ( -2.051 -1.673 0.639) 2.723 3.542 ( -2.051 1.673 0.639) 2.723 3.634 ( -0.419 -0.910 0.877) 1.331 3.634 ( -0.419 0.910 0.877) 1.331 3.702 ( -1.607 -1.365 0.720) 2.228 3.702 ( -1.607 1.365 0.720) 2.228 3.781 ( 0.086 -1.933 -3.062) 3.623 3.781 ( 0.086 1.933 -3.062) 3.623 3.833 ( 0.846 -1.492 0.473) 1.779 3.833 ( 0.846 1.492 0.473) 1.779 3.954 ( 2.126 -0.580 -1.068) 2.449 3.954 ( 2.126 0.580 -1.068) 2.449 4.005 ( 0.164 -1.367 -5.123) 5.305 4.005 ( 0.164 1.367 -5.123) 5.305 4.155 ( -3.649 -2.039 -4.518) 6.155 4.155 ( -3.649 2.039 -4.518) 6.155 4.212 ( -0.501 -3.010 4.374) 5.333 4.212 ( -0.501 3.010 4.374) 5.333 4.435 ( 1.554 -4.761 -1.320) 5.179 4.435 ( 1.554 4.761 -1.320) 5.179 4.639 ( -1.320 -2.172 0.519) 2.594 4.639 ( -1.320 2.172 0.519) 2.594 4.716 ( 1.390 -3.775 -2.919) 4.970 4.716 ( 1.390 3.775 -2.919) 4.970 4.861 ( 0.388 -2.722 2.608) 3.789 4.861 ( 0.388 2.722 2.608) 3.789 5.050 ( -3.224 -2.927 0.447) 4.377 5.050 ( -3.224 2.927 0.447) 4.377 5.099 ( 2.457 -2.695 0.446) 3.674 5.099 ( 2.457 2.695 0.446) 3.674 5.147 ( 0.800 -1.973 -0.408) 2.168 5.147 ( 0.800 1.973 -0.408) 2.168 5.402 ( 2.436 -2.901 -0.634) 3.841 5.402 ( 2.436 2.901 -0.634) 3.841 5.471 ( -1.949 -3.594 0.206) 4.093 5.471 ( -1.949 3.594 0.206) 4.093 5.791 ( 1.315 -1.080 -0.957) 1.952 5.791 ( 1.315 1.080 -0.957) 1.952 5.952 ( -2.699 -0.491 2.269) 3.560 5.952 ( -2.699 0.491 2.269) 3.560 6.250 ( 1.251 -2.759 -0.870) 3.152 6.250 ( 1.251 2.759 -0.870) 3.152 6.371 ( -0.217 -1.217 0.443) 1.313 6.371 ( -0.217 1.217 0.443) 1.313======================= Grid point 80 (39/56) =======================q-point: (-0.33 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 3.272 -2.739 -5.566) 7.014 0.810 ( 3.272 2.739 -5.566) 7.014 0.934 ( -0.478 -4.234 1.220) 4.432 0.934 ( -0.478 4.234 1.220) 4.432 1.033 ( -0.576 -1.687 -0.798) 1.953 1.033 ( -0.576 1.687 -0.798) 1.953 1.099 ( -2.306 -1.932 -0.807) 3.115 1.099 ( -2.306 1.932 -0.807) 3.115 1.208 ( 1.111 -1.367 1.860) 2.562 1.208 ( 1.111 1.367 1.860) 2.562 1.320 ( -2.423 -1.253 -1.888) 3.318 1.320 ( -2.423 1.253 -1.888) 3.318 1.395 ( 1.975 -0.752 -2.033) 2.932 1.395 ( 1.975 0.752 -2.033) 2.932 1.451 ( 0.845 -1.819 1.757) 2.667 1.451 ( 0.845 1.819 1.757) 2.667 1.500 ( -1.907 -4.605 -2.852) 5.743 1.500 ( -1.907 4.605 -2.852) 5.743 1.604 ( -2.490 -1.370 1.662) 3.292 1.604 ( -2.490 1.370 1.662) 3.292 1.695 ( -3.293 -4.053 -3.607) 6.347 1.695 ( -3.293 4.053 -3.607) 6.347 1.945 ( -3.908 -3.894 -2.044) 5.883 1.945 ( -3.908 3.894 -2.044) 5.883 2.028 ( 2.489 -2.485 1.285) 3.744 2.028 ( 2.489 2.485 1.285) 3.744 2.095 ( -0.679 -0.553 3.036) 3.159 2.095 ( -0.679 0.553 3.036) 3.159 2.272 ( -2.560 -0.953 1.191) 2.980 2.272 ( -2.560 0.953 1.191) 2.980 2.392 ( -1.722 -2.083 4.131) 4.937 2.392 ( -1.722 2.083 4.131) 4.937 2.564 ( 1.976 -2.294 -0.520) 3.072 2.564 ( 1.976 2.294 -0.520) 3.072 2.681 ( -1.236 -2.463 0.341) 2.777 2.681 ( -1.236 2.463 0.341) 2.777 2.760 ( -1.207 -3.527 -3.389) 5.038 2.760 ( -1.207 3.527 -3.389) 5.038 2.822 ( 0.611 -0.510 -0.238) 0.830 2.822 ( 0.611 0.510 -0.238) 0.830 2.898 ( 0.059 -2.506 -0.506) 2.557 2.898 ( 0.059 2.506 -0.506) 2.557 3.049 ( 1.829 -1.587 2.665) 3.601 3.049 ( 1.829 1.587 2.665) 3.601 3.149 ( 1.495 -2.311 4.234) 5.050 3.149 ( 1.495 2.311 4.234) 5.050 3.247 ( 0.192 -3.422 1.574) 3.771 3.247 ( 0.192 3.422 1.574) 3.771 3.388 ( -0.968 -2.112 2.004) 3.068 3.388 ( -0.968 2.112 2.004) 3.068 3.481 ( -1.581 -5.015 1.226) 5.400 3.481 ( -1.581 5.015 1.226) 5.400 3.517 ( 0.661 -1.855 -1.454) 2.448 3.517 ( 0.661 1.855 -1.454) 2.448 3.629 ( -1.069 -0.484 0.553) 1.298 3.629 ( -1.069 0.484 0.553) 1.298 3.703 ( 3.346 -2.237 0.139) 4.028 3.703 ( 3.346 2.237 0.139) 4.028 3.791 ( 0.465 -0.923 -2.981) 3.155 3.791 ( 0.465 0.923 -2.981) 3.155 3.873 ( 3.449 -0.859 1.331) 3.795 3.873 ( 3.449 0.859 1.331) 3.795 3.990 ( -0.382 -1.493 -5.859) 6.058 3.990 ( -0.382 1.493 -5.859) 6.058 4.050 ( 4.805 -2.239 -1.105) 5.415 4.050 ( 4.805 2.239 -1.105) 5.415 4.128 ( 2.399 -3.301 -1.992) 4.541 4.128 ( 2.399 3.301 -1.992) 4.541 4.213 ( 0.469 -1.836 4.347) 4.742 4.213 ( 0.469 1.836 4.347) 4.742 4.455 ( -0.234 -4.692 -2.388) 5.270 4.455 ( -0.234 4.692 -2.388) 5.270 4.612 ( -1.178 -2.030 0.152) 2.352 4.612 ( -1.178 2.030 0.152) 2.352 4.689 ( -3.814 -2.504 -1.179) 4.712 4.689 ( -3.814 2.504 -1.179) 4.712 4.835 ( -2.406 -2.431 2.282) 4.112 4.835 ( -2.406 2.431 2.282) 4.112 4.949 ( -5.812 -0.200 -0.429) 5.831 4.949 ( -5.812 0.200 -0.429) 5.831 5.140 ( 1.121 -1.724 -0.064) 2.057 5.140 ( 1.121 1.724 -0.064) 2.057 5.211 ( 3.802 -1.841 0.373) 4.241 5.211 ( 3.802 1.841 0.373) 4.241 5.401 ( -1.362 -3.629 1.039) 4.013 5.401 ( -1.362 3.629 1.039) 4.013 5.474 ( 1.114 -5.664 -1.016) 5.861 5.474 ( 1.114 5.664 -1.016) 5.861 5.812 ( -0.111 -0.890 0.668) 1.118 5.812 ( -0.111 0.890 0.668) 1.118 5.877 ( -2.990 -0.834 -0.386) 3.128 5.877 ( -2.990 0.834 -0.386) 3.128 6.295 ( 3.060 -3.135 -0.094) 4.382 6.295 ( 3.060 3.135 -0.094) 4.382 6.384 ( 1.184 -0.835 0.289) 1.477 6.384 ( 1.184 0.835 0.289) 1.477======================= Grid point 82 (40/56) =======================q-point: (-0.17 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 1.466 -4.209 1.169) 4.607 0.866 ( 1.466 4.209 1.169) 4.607 0.937 ( 1.290 -2.101 -0.829) 2.601 0.937 ( 1.290 2.101 -0.829) 2.601 1.012 ( -1.026 -3.242 -1.484) 3.710 1.012 ( -1.026 3.242 -1.484) 3.710 1.089 ( 0.951 -2.920 -0.103) 3.073 1.089 ( 0.951 2.920 -0.103) 3.073 1.206 ( -1.606 -3.359 -1.710) 4.097 1.206 ( -1.606 3.359 -1.710) 4.097 1.272 ( -2.255 -2.089 -0.498) 3.114 1.272 ( -2.255 2.089 -0.498) 3.114 1.377 ( -3.598 -1.301 1.551) 4.129 1.377 ( -3.598 1.301 1.551) 4.129 1.447 ( -1.152 -2.454 -0.706) 2.801 1.447 ( -1.152 2.454 -0.706) 2.801 1.485 ( -1.360 -2.301 1.506) 3.068 1.485 ( -1.360 2.301 1.506) 3.068 1.563 ( 2.302 -2.679 -1.936) 4.028 1.563 ( 2.302 2.679 -1.936) 4.028 1.693 ( 1.300 -2.274 -3.912) 4.708 1.693 ( 1.300 2.274 -3.912) 4.708 1.854 ( -4.915 -5.240 -2.994) 7.784 1.854 ( -4.915 5.240 -2.994) 7.784 2.051 ( -0.041 -4.716 2.703) 5.436 2.051 ( -0.041 4.716 2.703) 5.436 2.097 ( 0.958 -2.834 0.573) 3.046 2.097 ( 0.958 2.834 0.573) 3.046 2.227 ( -2.144 -0.819 0.446) 2.338 2.227 ( -2.144 0.819 0.446) 2.338 2.351 ( -2.358 -3.135 2.132) 4.465 2.351 ( -2.358 3.135 2.132) 4.465 2.601 ( 1.627 -1.870 0.132) 2.482 2.601 ( 1.627 1.870 0.132) 2.482 2.652 ( -1.191 -3.217 0.887) 3.543 2.652 ( -1.191 3.217 0.887) 3.543 2.739 ( -0.913 -0.934 -1.890) 2.298 2.739 ( -0.913 0.934 -1.890) 2.298 2.851 ( 1.259 -0.373 3.914) 4.129 2.851 ( 1.259 0.373 3.914) 4.129 2.904 ( 1.320 -2.048 -3.211) 4.030 2.904 ( 1.320 2.048 -3.211) 4.030 3.086 ( 1.866 -3.046 1.906) 4.049 3.086 ( 1.866 3.046 1.906) 4.049 3.149 ( -1.724 -1.801 -0.306) 2.512 3.149 ( -1.724 1.801 -0.306) 2.512 3.230 ( -1.895 -2.459 1.410) 3.409 3.230 ( -1.895 2.459 1.410) 3.409 3.386 ( 1.009 -2.184 3.298) 4.082 3.386 ( 1.009 2.184 3.298) 4.082 3.463 ( 0.085 -5.295 2.378) 5.806 3.463 ( 0.085 5.295 2.378) 5.806 3.526 ( 0.209 -0.687 -1.595) 1.750 3.526 ( 0.209 0.687 -1.595) 1.750 3.605 ( -0.747 -0.788 -1.224) 1.636 3.605 ( -0.747 0.788 -1.224) 1.636 3.778 ( -0.962 -3.891 -2.656) 4.808 3.778 ( -0.962 3.891 -2.656) 4.808 3.805 ( 4.891 -1.841 0.895) 5.302 3.805 ( 4.891 1.841 0.895) 5.302 3.940 ( 2.576 -2.261 -2.939) 4.515 3.940 ( 2.576 2.261 -2.939) 4.515 4.011 ( 4.054 -1.275 -2.042) 4.715 4.011 ( 4.054 1.275 -2.042) 4.715 4.115 ( 1.631 -1.076 -2.855) 3.460 4.115 ( 1.631 1.076 -2.855) 3.460 4.221 ( 3.322 -1.885 4.568) 5.954 4.221 ( 3.322 1.885 4.568) 5.954 4.238 ( 3.724 -2.537 2.921) 5.370 4.238 ( 3.724 2.537 2.921) 5.370 4.418 ( -2.201 -4.944 -2.245) 5.859 4.418 ( -2.201 4.944 -2.245) 5.859 4.570 ( -4.040 -0.967 -2.273) 4.735 4.570 ( -4.040 0.967 -2.273) 4.735 4.641 ( -0.205 -1.240 1.570) 2.011 4.641 ( -0.205 1.240 1.570) 2.011 4.780 ( -3.249 -3.017 1.945) 4.842 4.780 ( -3.249 3.017 1.945) 4.842 4.837 ( -5.586 -3.289 -1.645) 6.687 4.837 ( -5.586 3.289 -1.645) 6.687 5.141 ( -1.197 -1.165 -0.522) 1.750 5.141 ( -1.197 1.165 -0.522) 1.750 5.238 ( -0.416 -1.613 2.819) 3.274 5.238 ( -0.416 1.613 2.819) 3.274 5.413 ( 2.226 -3.550 -0.348) 4.205 5.413 ( 2.226 3.550 -0.348) 4.205 5.470 ( -1.174 -6.273 -0.107) 6.383 5.470 ( -1.174 6.273 -0.107) 6.383 5.772 ( -1.907 -0.863 2.393) 3.179 5.772 ( -1.907 0.863 2.393) 3.179 5.883 ( 1.518 -2.071 -3.510) 4.349 5.883 ( 1.518 2.071 -3.510) 4.349 6.354 ( 2.817 -1.269 0.310) 3.105 6.354 ( 2.817 1.269 0.310) 3.105 6.401 ( 0.333 -1.033 0.146) 1.095 6.401 ( 0.333 1.033 0.146) 1.095======================= Grid point 98 (41/56) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( -3.198 0.000 -0.800) 3.297 0.537 ( 3.198 0.000 0.800) 3.297 0.606 ( 5.325 0.000 -2.697) 5.969 0.606 ( -5.325 0.000 2.697) 5.969 0.977 ( -1.450 0.000 -8.819) 8.938 0.977 ( 1.450 0.000 8.819) 8.938 1.038 ( -0.980 0.000 -9.960) 10.008 1.038 ( 0.980 0.000 9.960) 10.008 1.206 ( 1.996 0.000 -2.211) 2.979 1.206 ( -1.996 0.000 2.211) 2.979 1.237 ( -0.900 0.000 -3.842) 3.946 1.237 ( 0.900 0.000 3.842) 3.946 1.366 ( 0.410 0.000 -0.198) 0.455 1.366 ( -0.410 0.000 0.198) 0.455 1.477 ( -2.157 0.000 -0.135) 2.162 1.477 ( 2.157 0.000 0.135) 2.162 1.493 ( 6.338 0.000 -3.640) 7.309 1.493 ( -6.338 0.000 3.640) 7.309 1.677 ( -4.335 0.000 -5.011) 6.626 1.677 ( 4.335 0.000 5.011) 6.626 1.710 ( -0.824 0.000 -5.791) 5.849 1.710 ( 0.824 0.000 5.791) 5.849 1.850 ( 0.485 0.000 -5.917) 5.936 1.850 ( -0.485 0.000 5.917) 5.936 2.064 ( 0.474 0.000 -7.707) 7.722 2.064 ( -0.474 0.000 7.707) 7.722 2.196 ( 1.804 0.000 -2.297) 2.921 2.196 ( -1.804 0.000 2.297) 2.921 2.264 ( 0.365 0.000 -0.669) 0.762 2.264 ( -0.365 0.000 0.669) 0.762 2.383 ( -2.879 0.000 -5.171) 5.918 2.383 ( 2.879 0.000 5.171) 5.918 2.564 ( -0.475 0.000 -2.829) 2.869 2.564 ( 0.475 0.000 2.829) 2.869 2.710 ( 0.763 0.000 -3.012) 3.107 2.710 ( -0.763 0.000 3.012) 3.107 2.736 ( -1.548 0.000 0.037) 1.548 2.736 ( 1.548 0.000 -0.037) 1.548 2.977 ( -1.955 0.000 -3.139) 3.698 2.977 ( 1.955 0.000 3.139) 3.698 3.075 ( -3.528 0.000 -1.754) 3.940 3.075 ( 3.528 0.000 1.754) 3.940 3.178 ( 3.145 0.000 -2.002) 3.729 3.178 ( -3.145 0.000 2.002) 3.729 3.259 ( -7.085 0.000 1.581) 7.259 3.259 ( 7.085 0.000 -1.581) 7.259 3.354 ( -2.942 0.000 -5.123) 5.908 3.354 ( 2.942 0.000 5.123) 5.908 3.374 ( 1.862 0.000 -1.486) 2.382 3.374 ( -1.862 0.000 1.486) 2.382 3.396 ( 3.789 0.000 -2.104) 4.334 3.396 ( -3.789 0.000 2.104) 4.334 3.570 ( 1.841 0.000 -1.488) 2.367 3.570 ( -1.841 0.000 1.488) 2.367 3.620 ( -3.049 0.000 -1.874) 3.579 3.620 ( 3.049 0.000 1.874) 3.579 3.753 ( -0.929 0.000 0.239) 0.959 3.753 ( 0.929 0.000 -0.239) 0.959 3.876 ( 0.123 0.000 -3.052) 3.055 3.876 ( -0.123 0.000 3.052) 3.055 3.999 ( -0.604 0.000 -1.194) 1.338 3.999 ( 0.604 0.000 1.194) 1.338 4.039 ( -3.154 0.000 -6.461) 7.190 4.039 ( 3.154 0.000 6.461) 7.190 4.094 ( 4.512 0.000 -1.683) 4.816 4.094 ( -4.512 0.000 1.683) 4.816 4.203 ( -1.203 0.000 -4.960) 5.104 4.203 ( 1.203 0.000 4.960) 5.104 4.234 ( -0.894 0.000 -3.880) 3.982 4.234 ( 0.894 0.000 3.880) 3.982 4.470 ( -3.990 0.000 -5.699) 6.957 4.470 ( 3.990 0.000 5.699) 6.957 4.486 ( -1.756 0.000 -1.309) 2.191 4.486 ( 1.756 0.000 1.309) 2.191 4.589 ( -3.543 0.000 -0.730) 3.618 4.589 ( 3.543 0.000 0.730) 3.618 4.785 ( -2.170 0.000 0.704) 2.282 4.785 ( 2.170 0.000 -0.704) 2.282 4.861 ( -5.830 0.000 1.463) 6.010 4.861 ( 5.830 0.000 -1.463) 6.010 4.933 ( 1.239 0.000 -1.980) 2.336 4.933 ( -1.239 0.000 1.980) 2.336 5.156 ( 3.185 0.000 -2.612) 4.120 5.156 ( -3.185 0.000 2.612) 4.120 5.246 ( -1.715 0.000 -1.561) 2.319 5.246 ( 1.715 0.000 1.561) 2.319 5.669 ( 0.543 0.000 -3.619) 3.659 5.669 ( -0.543 0.000 3.619) 3.659 5.867 ( 0.174 0.000 -0.309) 0.355 5.867 ( -0.174 0.000 0.309) 0.355 6.072 ( -5.426 0.000 -0.617) 5.461 6.072 ( 5.426 0.000 0.617) 5.461 6.255 ( -2.013 0.000 -0.703) 2.132 6.255 ( 2.013 0.000 0.703) 2.132 6.404 ( 0.458 0.000 -1.170) 1.256 6.404 ( -0.458 0.000 1.170) 1.256======================= Grid point 100 (42/56) =======================q-point: ( 0.17 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.506 ( -2.091 0.000 14.779) 14.926 0.509 ( 1.053 0.000 -8.075) 8.143 0.649 ( 6.913 0.000 -10.112) 12.249 0.699 ( 4.886 0.000 3.642) 6.094 0.979 ( -1.936 0.000 -5.044) 5.403 0.989 ( -0.372 0.000 2.440) 2.468 1.037 ( 0.212 0.000 -1.727) 1.740 1.097 ( -2.150 0.000 5.698) 6.090 1.186 ( 1.677 0.000 1.896) 2.531 1.200 ( 3.623 0.000 -1.902) 4.092 1.242 ( -1.525 0.000 2.532) 2.955 1.284 ( 4.653 0.000 0.736) 4.711 1.355 ( -0.718 0.000 2.477) 2.579 1.394 ( 2.485 0.000 1.045) 2.696 1.436 ( 1.645 0.000 0.845) 1.849 1.483 ( 2.909 0.000 -1.257) 3.168 1.533 ( 2.189 0.000 -3.239) 3.909 1.583 ( -3.173 0.000 -4.452) 5.467 1.635 ( 6.886 0.000 -0.622) 6.914 1.644 ( -3.727 0.000 6.541) 7.528 1.694 ( 1.639 0.000 -7.216) 7.400 1.787 ( 5.309 0.000 4.268) 6.812 1.904 ( 3.402 0.000 2.441) 4.187 1.911 ( 3.856 0.000 -5.413) 6.646 2.047 ( -1.247 0.000 8.449) 8.541 2.083 ( 2.502 0.000 -2.529) 3.557 2.161 ( -1.542 0.000 1.820) 2.385 2.214 ( 0.200 0.000 -2.710) 2.718 2.275 ( 1.290 0.000 -1.946) 2.335 2.290 ( 1.015 0.000 -5.051) 5.152 2.350 ( 0.268 0.000 -3.226) 3.237 2.435 ( 1.735 0.000 2.919) 3.396 2.560 ( 0.362 0.000 -1.053) 1.113 2.572 ( -0.250 0.000 3.032) 3.043 2.677 ( -1.693 0.000 4.442) 4.754 2.693 ( -2.424 0.000 0.090) 2.426 2.731 ( 1.147 0.000 -0.457) 1.235 2.780 ( 2.535 0.000 -0.783) 2.653 2.923 ( -3.175 0.000 -2.236) 3.883 2.968 ( -6.100 0.000 -0.974) 6.177 2.973 ( -2.746 0.000 2.422) 3.662 3.058 ( -4.270 0.000 -0.113) 4.272 3.111 ( -3.799 0.000 0.317) 3.812 3.163 ( -2.435 0.000 -1.303) 2.762 3.218 ( 0.036 0.000 0.498) 0.499 3.288 ( -6.845 0.000 2.399) 7.253 3.301 ( -2.924 0.000 -2.931) 4.140 3.375 ( 2.465 0.000 0.132) 2.469 3.376 ( 4.374 0.000 -0.713) 4.432 3.402 ( 0.338 0.000 -0.537) 0.635 3.417 ( 3.670 0.000 3.423) 5.018 3.440 ( 1.310 0.000 -0.335) 1.352 3.532 ( -1.037 0.000 -5.305) 5.406 3.579 ( -0.397 0.000 -1.221) 1.284 3.588 ( -0.840 0.000 3.764) 3.857 3.681 ( 1.888 0.000 -0.182) 1.897 3.751 ( 0.939 0.000 0.971) 1.351 3.761 ( -1.281 0.000 -0.059) 1.283 3.882 ( -0.752 0.000 -1.721) 1.878 3.884 ( 0.834 0.000 4.047) 4.132 3.929 ( -3.522 0.000 0.882) 3.631 3.961 ( -5.198 0.000 -6.323) 8.185 3.982 ( -1.487 0.000 1.488) 2.104 3.986 ( -4.319 0.000 -0.259) 4.327 4.079 ( -1.142 0.000 -1.095) 1.582 4.083 ( -4.385 0.000 2.800) 5.202 4.186 ( 0.170 0.000 -1.124) 1.136 4.222 ( 0.654 0.000 -5.620) 5.658 4.236 ( 1.753 0.000 3.920) 4.294 4.245 ( 0.576 0.000 5.967) 5.994 4.429 ( 0.108 0.000 -1.891) 1.894 4.453 ( -0.788 0.000 -2.537) 2.657 4.532 ( -0.234 0.000 -0.436) 0.495 4.541 ( 0.479 0.000 3.351) 3.385 4.544 ( 1.672 0.000 -3.109) 3.530 4.648 ( 1.840 0.000 -1.083) 2.135 4.759 ( 0.635 0.000 1.221) 1.376 4.784 ( -1.954 0.000 1.402) 2.405 4.804 ( -0.808 0.000 0.679) 1.055 4.926 ( 1.302 0.000 -3.578) 3.808 4.952 ( 3.206 0.000 1.864) 3.709 4.997 ( 2.500 0.000 -4.244) 4.926 5.121 ( 2.270 0.000 3.441) 4.122 5.129 ( -4.165 0.000 -0.527) 4.198 5.268 ( -0.095 0.000 2.492) 2.494 5.287 ( 4.661 0.000 -1.504) 4.898 5.681 ( 1.608 0.000 3.973) 4.286 5.694 ( 1.372 0.000 -4.654) 4.852 5.856 ( -0.806 0.000 1.520) 1.721 5.860 ( -0.819 0.000 -1.142) 1.405 6.016 ( -0.161 0.000 -0.412) 0.443 6.178 ( 4.339 0.000 3.850) 5.801 6.212 ( -2.358 0.000 -1.032) 2.574 6.284 ( 0.877 0.000 0.752) 1.155 6.388 ( -1.035 0.000 0.920) 1.385 6.399 ( -1.042 0.000 -2.025) 2.277======================= Grid point 102 (43/56) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.536 ( 4.887 0.000 8.861) 10.119 0.591 ( 7.068 0.000 -5.924) 9.223 0.785 ( 6.085 0.000 -6.636) 9.003 0.792 ( 2.703 0.000 4.608) 5.342 0.869 ( -5.638 0.000 -2.056) 6.001 0.965 ( -5.762 0.000 1.947) 6.082 0.988 ( -1.974 0.000 1.418) 2.431 1.056 ( 0.336 0.000 -1.511) 1.548 1.178 ( -3.334 0.000 2.430) 4.125 1.203 ( -1.180 0.000 0.615) 1.331 1.279 ( 3.328 0.000 1.380) 3.602 1.351 ( 0.602 0.000 0.025) 0.603 1.388 ( 2.628 0.000 5.971) 6.523 1.437 ( 1.021 0.000 -5.608) 5.701 1.513 ( 6.480 0.000 -2.826) 7.069 1.525 ( -1.450 0.000 2.796) 3.150 1.531 ( -3.702 0.000 -5.870) 6.940 1.586 ( 5.201 0.000 3.107) 6.059 1.647 ( 5.316 0.000 0.525) 5.342 1.741 ( 6.438 0.000 0.565) 6.462 1.793 ( 2.654 0.000 -4.692) 5.390 1.884 ( 3.124 0.000 0.820) 3.230 1.934 ( 1.722 0.000 3.971) 4.328 1.968 ( 2.899 0.000 2.374) 3.747 2.052 ( 3.017 0.000 1.567) 3.400 2.131 ( -0.578 0.000 2.716) 2.777 2.166 ( 3.552 0.000 2.464) 4.323 2.197 ( -2.381 0.000 -4.547) 5.133 2.293 ( 0.618 0.000 -5.234) 5.271 2.306 ( 1.505 0.000 -5.791) 5.983 2.388 ( 2.344 0.000 -1.075) 2.578 2.426 ( -1.972 0.000 1.297) 2.360 2.536 ( -2.742 0.000 1.398) 3.078 2.569 ( -1.627 0.000 2.836) 3.270 2.658 ( 1.025 0.000 -1.054) 1.470 2.670 ( 0.576 0.000 2.636) 2.698 2.775 ( 2.622 0.000 -1.565) 3.053 2.798 ( -1.668 0.000 -1.251) 2.085 2.849 ( -4.292 0.000 1.023) 4.412 2.896 ( -4.015 0.000 2.444) 4.700 2.897 ( -0.889 0.000 -0.396) 0.973 2.964 ( -4.717 0.000 -1.438) 4.931 3.058 ( -1.124 0.000 2.835) 3.050 3.127 ( -2.581 0.000 -6.220) 6.734 3.180 ( -2.860 0.000 2.217) 3.619 3.222 ( 1.466 0.000 1.836) 2.349 3.231 ( -4.396 0.000 -2.430) 5.023 3.370 ( -3.421 0.000 1.338) 3.673 3.423 ( 1.059 0.000 -1.206) 1.605 3.431 ( 2.502 0.000 -1.778) 3.069 3.463 ( 1.343 0.000 0.861) 1.595 3.493 ( 4.076 0.000 -3.030) 5.078 3.519 ( -1.173 0.000 -0.762) 1.398 3.581 ( 0.967 0.000 1.434) 1.730 3.598 ( 2.537 0.000 4.401) 5.080 3.683 ( -1.545 0.000 -0.331) 1.580 3.695 ( -4.116 0.000 -2.211) 4.672 3.763 ( -1.393 0.000 5.793) 5.958 3.819 ( -5.954 0.000 -4.688) 7.579 3.835 ( -1.989 0.000 0.617) 2.082 3.893 ( -0.845 0.000 -0.369) 0.922 3.904 ( -2.568 0.000 1.329) 2.891 3.960 ( -1.825 0.000 5.001) 5.324 3.975 ( 2.856 0.000 -2.720) 3.944 4.021 ( -2.663 0.000 -2.810) 3.871 4.059 ( 2.165 0.000 -0.995) 2.382 4.208 ( 1.473 0.000 4.002) 4.264 4.246 ( 0.857 0.000 -5.251) 5.320 4.260 ( 1.050 0.000 0.688) 1.256 4.265 ( 1.309 0.000 6.584) 6.713 4.431 ( -0.202 0.000 1.783) 1.794 4.459 ( 1.763 0.000 -2.877) 3.374 4.492 ( -3.580 0.000 -1.574) 3.911 4.549 ( 2.788 0.000 -3.337) 4.348 4.588 ( 1.999 0.000 -3.248) 3.814 4.661 ( -0.679 0.000 3.558) 3.622 4.726 ( -7.026 0.000 2.224) 7.370 4.730 ( -4.083 0.000 1.580) 4.378 4.822 ( 5.070 0.000 -0.497) 5.094 4.948 ( 0.807 0.000 -3.861) 3.945 5.004 ( -0.680 0.000 -5.292) 5.336 5.004 ( 0.159 0.000 4.238) 4.241 5.105 ( 3.142 0.000 -0.949) 3.282 5.209 ( 3.225 0.000 1.022) 3.383 5.256 ( 0.856 0.000 2.819) 2.946 5.354 ( 1.452 0.000 -1.042) 1.787 5.709 ( 0.662 0.000 -5.447) 5.488 5.715 ( 1.520 0.000 5.361) 5.572 5.841 ( -0.705 0.000 3.433) 3.505 5.844 ( -0.711 0.000 -3.323) 3.398 6.052 ( 3.283 0.000 -0.294) 3.296 6.165 ( -2.292 0.000 -0.903) 2.463 6.226 ( 0.872 0.000 3.286) 3.399 6.279 ( -1.557 0.000 -0.189) 1.568 6.371 ( -0.589 0.000 1.702) 1.801 6.375 ( -0.971 0.000 -2.491) 2.673======================= Grid point 104 (44/56) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -6.541 0.000 -0.081) 6.541 0.661 ( 6.541 0.000 0.081) 6.541 0.766 ( 6.363 0.000 -2.539) 6.851 0.766 ( -6.363 0.000 2.539) 6.851 0.894 ( -2.009 0.000 0.606) 2.098 0.894 ( 2.009 0.000 -0.606) 2.098 1.014 ( -3.720 0.000 -0.898) 3.827 1.014 ( 3.720 0.000 0.898) 3.827 1.167 ( -1.727 0.000 -1.455) 2.258 1.167 ( 1.727 0.000 1.455) 2.258 1.331 ( -2.038 0.000 -2.146) 2.960 1.331 ( 2.038 0.000 2.146) 2.960 1.445 ( -3.311 0.000 -8.921) 9.516 1.445 ( 3.311 0.000 8.921) 9.516 1.474 ( 1.823 0.000 -3.752) 4.171 1.474 ( -1.823 0.000 3.752) 4.171 1.635 ( 2.523 0.000 -4.163) 4.868 1.635 ( -2.523 0.000 4.163) 4.868 1.739 ( -4.421 0.000 -1.390) 4.634 1.739 ( 4.421 0.000 1.390) 4.634 1.859 ( -3.976 0.000 -0.145) 3.979 1.859 ( 3.976 0.000 0.145) 3.979 1.998 ( -1.530 0.000 -0.760) 1.709 1.998 ( 1.530 0.000 0.760) 1.709 2.121 ( 0.526 0.000 -2.277) 2.337 2.121 ( -0.526 0.000 2.277) 2.337 2.175 ( 2.566 0.000 -4.571) 5.242 2.175 ( -2.566 0.000 4.571) 5.242 2.310 ( -0.737 0.000 -1.055) 1.287 2.310 ( 0.737 0.000 1.055) 1.287 2.412 ( 0.144 0.000 -0.565) 0.583 2.412 ( -0.144 0.000 0.565) 0.583 2.515 ( 1.674 0.000 -2.987) 3.424 2.515 ( -1.674 0.000 2.987) 3.424 2.694 ( -0.772 0.000 -3.012) 3.109 2.694 ( 0.772 0.000 3.012) 3.109 2.762 ( -1.619 0.000 -0.665) 1.750 2.762 ( 1.619 0.000 0.665) 1.750 2.836 ( -2.369 0.000 0.029) 2.369 2.836 ( 2.369 0.000 -0.029) 2.369 2.910 ( -1.463 0.000 -0.153) 1.471 2.910 ( 1.463 0.000 0.153) 1.471 3.074 ( -2.371 0.000 -6.244) 6.679 3.074 ( 2.371 0.000 6.244) 6.679 3.165 ( -1.522 0.000 -2.228) 2.698 3.165 ( 1.522 0.000 2.228) 2.698 3.288 ( -4.598 0.000 0.699) 4.650 3.288 ( 4.598 0.000 -0.699) 4.650 3.445 ( -1.053 0.000 -4.012) 4.148 3.445 ( 1.053 0.000 4.012) 4.148 3.486 ( 1.166 0.000 -4.428) 4.578 3.486 ( -1.166 0.000 4.428) 4.578 3.581 ( 3.457 0.000 -4.039) 5.317 3.581 ( -3.457 0.000 4.039) 5.317 3.644 ( -0.344 0.000 -3.510) 3.527 3.644 ( 0.344 0.000 3.510) 3.527 3.670 ( -4.709 0.000 -1.835) 5.054 3.670 ( 4.709 0.000 1.835) 5.054 3.808 ( 1.167 0.000 -0.422) 1.240 3.808 ( -1.167 0.000 0.422) 1.240 3.875 ( 0.019 0.000 -3.227) 3.227 3.875 ( -0.019 0.000 3.227) 3.227 3.958 ( -1.458 0.000 -7.296) 7.440 3.958 ( 1.458 0.000 7.296) 7.440 4.061 ( -2.673 0.000 -3.007) 4.023 4.061 ( 2.673 0.000 3.007) 4.023 4.236 ( -1.340 0.000 -2.821) 3.123 4.236 ( 1.340 0.000 2.821) 3.123 4.278 ( 0.214 0.000 -5.215) 5.219 4.278 ( -0.214 0.000 5.215) 5.219 4.442 ( -1.514 0.000 -2.391) 2.830 4.442 ( 1.514 0.000 2.391) 2.830 4.546 ( -6.367 0.000 0.884) 6.428 4.546 ( 6.367 0.000 -0.884) 6.428 4.625 ( 2.600 0.000 -3.819) 4.620 4.625 ( -2.600 0.000 3.819) 4.620 4.652 ( -2.866 0.000 0.701) 2.951 4.652 ( 2.866 0.000 -0.701) 2.951 4.917 ( -4.161 0.000 -0.907) 4.259 4.917 ( 4.161 0.000 0.907) 4.259 4.996 ( 0.248 0.000 -6.619) 6.624 4.996 ( -0.248 0.000 6.619) 6.624 5.181 ( 3.583 0.000 -1.413) 3.851 5.181 ( -3.583 0.000 1.413) 3.851 5.330 ( -3.655 0.000 -0.809) 3.744 5.330 ( 3.655 0.000 0.809) 3.744 5.725 ( 0.552 0.000 -6.110) 6.135 5.725 ( -0.552 0.000 6.110) 6.135 5.835 ( -0.157 0.000 -4.403) 4.406 5.835 ( 0.157 0.000 4.403) 4.406 6.116 ( -3.031 0.000 -1.169) 3.249 6.116 ( 3.031 0.000 1.169) 3.249 6.243 ( -1.508 0.000 -1.886) 2.414 6.243 ( 1.508 0.000 1.886) 2.414 6.366 ( -0.059 0.000 -2.468) 2.469 6.366 ( 0.059 0.000 2.468) 2.469======================= Grid point 112 (45/56) =======================q-point: ( 0.00 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.623 ( 2.858 7.042 -6.932) 10.286 0.623 ( -2.858 7.042 6.932) 10.286 0.671 ( 4.602 6.407 -9.094) 12.039 0.671 ( -4.602 6.407 9.094) 12.039 0.964 ( -1.077 -0.288 -3.403) 3.581 0.964 ( 1.077 -0.288 3.403) 3.581 1.136 ( -2.474 6.342 -7.330) 10.003 1.136 ( 2.474 6.342 7.330) 10.003 1.199 ( -0.096 -1.239 -2.431) 2.730 1.199 ( 0.096 -1.239 2.431) 2.730 1.237 ( -0.034 1.171 -4.353) 4.508 1.237 ( 0.034 1.171 4.353) 4.508 1.378 ( -0.840 0.143 -2.457) 2.600 1.378 ( 0.840 0.143 2.457) 2.600 1.425 ( 2.604 -2.302 -1.341) 3.725 1.425 ( -2.604 -2.302 1.341) 3.725 1.498 ( 1.692 -1.727 -3.579) 4.319 1.498 ( -1.692 -1.727 3.579) 4.319 1.596 ( 1.188 -3.480 -2.297) 4.336 1.596 ( -1.188 -3.480 2.297) 4.336 1.743 ( -2.070 0.564 -2.053) 2.969 1.743 ( 2.070 0.564 2.053) 2.969 1.845 ( -0.251 -2.476 -5.044) 5.624 1.845 ( 0.251 -2.476 5.044) 5.624 1.995 ( -0.062 -2.272 -3.262) 3.976 1.995 ( 0.062 -2.272 3.262) 3.976 2.206 ( -1.522 -0.628 -0.484) 1.716 2.206 ( 1.522 -0.628 0.484) 1.716 2.224 ( 2.306 -2.056 -0.864) 3.208 2.224 ( -2.306 -2.056 0.864) 3.208 2.440 ( -2.033 2.346 -3.621) 4.770 2.440 ( 2.033 2.346 3.621) 4.770 2.568 ( -0.710 0.745 -2.948) 3.122 2.568 ( 0.710 0.745 2.948) 3.122 2.676 ( 1.030 -2.773 -4.892) 5.717 2.676 ( -1.030 -2.773 4.892) 5.717 2.738 ( -1.088 0.011 -1.086) 1.537 2.738 ( 1.088 0.011 1.086) 1.537 2.925 ( -0.614 -3.340 -1.941) 3.911 2.925 ( 0.614 -3.340 1.941) 3.911 3.082 ( -2.729 0.589 -3.243) 4.279 3.082 ( 2.729 0.589 3.243) 4.279 3.146 ( 2.315 -2.897 -1.157) 3.885 3.146 ( -2.315 -2.897 1.157) 3.885 3.207 ( -3.804 -5.773 -0.351) 6.923 3.207 ( 3.804 -5.773 0.351) 6.923 3.289 ( 1.290 -1.496 -3.729) 4.220 3.289 ( -1.290 -1.496 3.729) 4.220 3.362 ( 0.058 -0.251 -3.008) 3.019 3.362 ( -0.058 -0.251 3.008) 3.019 3.461 ( -2.114 3.759 -3.455) 5.526 3.461 ( 2.114 3.759 3.455) 5.526 3.556 ( 0.383 -2.578 -1.243) 2.887 3.556 ( -0.383 -2.578 1.243) 2.887 3.598 ( -0.402 -0.691 -4.456) 4.527 3.598 ( 0.402 -0.691 4.456) 4.527 3.757 ( -0.877 -1.942 -4.419) 4.906 3.757 ( 0.877 -1.942 4.419) 4.906 3.905 ( 1.946 1.908 -3.369) 4.333 3.905 ( -1.946 1.908 3.369) 4.333 3.982 ( 2.023 0.069 -1.358) 2.438 3.982 ( -2.023 0.069 1.358) 2.438 4.054 ( -1.524 2.116 -1.506) 3.012 4.054 ( 1.524 2.116 1.506) 3.012 4.134 ( -1.670 2.908 -3.390) 4.768 4.134 ( 1.670 2.908 3.390) 4.768 4.187 ( -0.749 -2.588 -3.904) 4.744 4.187 ( 0.749 -2.588 3.904) 4.744 4.279 ( -1.083 2.041 -4.829) 5.353 4.279 ( 1.083 2.041 4.829) 5.353 4.408 ( -1.308 -2.255 -3.439) 4.315 4.408 ( 1.308 -2.255 3.439) 4.315 4.475 ( -3.915 -1.474 -1.426) 4.420 4.475 ( 3.915 -1.474 1.426) 4.420 4.629 ( -0.378 3.401 -2.288) 4.116 4.629 ( 0.378 3.401 2.288) 4.116 4.733 ( -2.461 -1.785 0.323) 3.058 4.733 ( 2.461 -1.785 -0.323) 3.058 4.900 ( 1.737 -2.280 -2.699) 3.937 4.900 ( -1.737 -2.280 2.699) 3.937 4.962 ( -0.403 4.225 -3.176) 5.301 4.962 ( 0.403 4.225 3.176) 5.301 5.187 ( 2.542 3.240 -2.961) 5.072 5.187 ( -2.542 3.240 2.961) 5.072 5.248 ( -1.003 0.833 -3.153) 3.412 5.248 ( 1.003 0.833 3.153) 3.412 5.648 ( 0.729 -2.069 -3.489) 4.121 5.648 ( -0.729 -2.069 3.489) 4.121 5.844 ( -0.458 -1.573 -0.629) 1.755 5.844 ( 0.458 -1.573 0.629) 1.755 5.975 ( 0.015 -6.328 -3.095) 7.044 5.975 ( -0.015 -6.328 3.095) 7.044 6.288 ( -1.625 2.371 -0.940) 3.023 6.288 ( 1.625 2.371 0.940) 3.023 6.444 ( 0.295 1.654 -2.897) 3.349 6.444 ( -0.295 1.654 2.897) 3.349======================= Grid point 114 (46/56) =======================q-point: ( 0.17 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -2.813 6.440 2.076) 7.328 0.622 ( 0.456 6.921 5.960) 9.145 0.692 ( 3.684 5.646 -6.940) 9.675 0.756 ( 4.427 4.442 -1.419) 6.430 0.938 ( -2.477 -1.124 -0.447) 2.757 1.017 ( 3.007 -0.519 -0.570) 3.105 1.085 ( -3.662 4.707 -0.218) 5.968 1.112 ( -5.829 -0.271 0.222) 5.840 1.201 ( 1.218 0.739 0.062) 1.426 1.226 ( 4.150 2.367 2.382) 5.339 1.233 ( -1.552 0.560 -0.119) 1.654 1.293 ( 4.258 0.855 2.871) 5.206 1.372 ( -0.327 0.799 2.768) 2.900 1.382 ( 0.456 -2.426 1.589) 2.936 1.427 ( 3.248 0.376 1.186) 3.479 1.470 ( 3.285 -1.974 -2.495) 4.573 1.519 ( 1.766 -2.446 -0.253) 3.028 1.563 ( 1.827 1.079 -1.609) 2.662 1.588 ( 4.423 -3.240 -1.694) 5.738 1.629 ( -0.982 -2.580 0.614) 2.828 1.702 ( 1.886 0.980 -6.396) 6.740 1.776 ( 3.137 -1.090 1.535) 3.658 1.881 ( 3.523 -4.401 1.061) 5.736 1.901 ( 2.118 -4.060 2.975) 5.461 1.953 ( -0.268 0.126 1.687) 1.713 2.045 ( 2.066 -2.713 -0.606) 3.463 2.186 ( -0.387 0.661 -1.341) 1.544 2.201 ( 0.429 -0.695 -1.700) 1.886 2.241 ( 1.488 -3.101 0.038) 3.440 2.290 ( 3.692 -0.087 -1.856) 4.133 2.395 ( -1.892 1.102 -2.402) 3.250 2.456 ( -0.706 1.522 2.830) 3.290 2.559 ( -2.371 -0.427 2.388) 3.392 2.565 ( 1.006 1.225 -1.872) 2.453 2.658 ( -0.868 -2.004 3.318) 3.972 2.697 ( 1.452 -0.095 -1.988) 2.464 2.725 ( -0.091 -0.184 -0.679) 0.710 2.768 ( 1.769 -1.411 0.548) 2.328 2.902 ( -1.634 -1.394 0.161) 2.154 2.929 ( -0.962 -0.926 -0.506) 1.428 2.973 ( -6.373 -1.560 -1.463) 6.723 3.059 ( -3.308 0.557 1.240) 3.576 3.105 ( -2.391 -1.527 -1.436) 3.180 3.139 ( -1.877 -3.797 2.564) 4.951 3.176 ( -0.809 -4.310 -1.867) 4.766 3.228 ( -2.260 -2.148 -0.096) 3.120 3.288 ( 0.451 -2.058 4.684) 5.136 3.339 ( 0.951 0.612 1.482) 1.864 3.367 ( 3.778 -1.762 -5.237) 6.693 3.386 ( 0.895 -0.150 0.100) 0.913 3.433 ( 1.153 3.647 -2.241) 4.433 3.505 ( 0.626 1.106 1.169) 1.727 3.524 ( -0.984 -1.323 1.550) 2.263 3.573 ( 0.238 -1.004 1.540) 1.853 3.588 ( 0.290 -0.201 -2.802) 2.824 3.621 ( 1.433 -1.975 0.550) 2.502 3.737 ( -1.385 -2.251 -3.726) 4.568 3.769 ( 0.014 -2.205 6.126) 6.510 3.830 ( -4.786 -1.427 1.748) 5.292 3.899 ( -3.271 2.205 -0.350) 3.960 3.922 ( -1.203 -0.303 -1.284) 1.786 3.960 ( -5.290 -1.556 -3.112) 6.331 4.003 ( -4.823 2.061 -2.948) 6.017 4.052 ( -2.207 -0.355 -1.277) 2.574 4.061 ( -0.040 4.045 -0.818) 4.127 4.125 ( -5.365 -0.070 -0.134) 5.368 4.173 ( 2.167 1.557 4.477) 5.212 4.230 ( 0.580 -1.918 -0.600) 2.092 4.252 ( -0.182 1.459 1.363) 2.005 4.288 ( -1.196 2.427 2.582) 3.740 4.366 ( 0.293 -2.364 -2.152) 3.211 4.435 ( 1.176 0.286 -1.057) 1.607 4.498 ( 3.225 -1.054 -0.199) 3.399 4.529 ( -0.475 -2.838 2.703) 3.948 4.637 ( 1.477 4.771 -2.860) 5.756 4.652 ( -3.724 -2.240 0.889) 4.436 4.685 ( 4.311 1.954 -1.933) 5.113 4.763 ( 1.686 -0.014 0.031) 1.686 4.899 ( 1.466 -2.676 3.280) 4.480 4.919 ( 0.274 3.674 -2.622) 4.522 4.981 ( 2.159 2.127 -1.107) 3.227 5.061 ( 6.149 3.015 1.793) 7.080 5.130 ( -1.298 2.497 1.576) 3.225 5.173 ( -4.116 4.214 -2.153) 6.272 5.263 ( 0.039 0.212 1.135) 1.155 5.283 ( 4.212 0.016 -0.221) 4.218 5.633 ( 0.106 -3.284 1.501) 3.613 5.683 ( 1.240 -2.172 -1.875) 3.126 5.811 ( -1.376 -2.274 0.868) 2.796 5.871 ( 0.982 -0.383 -0.593) 1.209 5.923 ( 0.307 -5.960 0.693) 6.008 6.078 ( 4.906 -6.735 -1.436) 8.455 6.234 ( -3.102 1.952 0.211) 3.672 6.327 ( 1.411 2.412 1.103) 3.004 6.410 ( -2.932 1.014 1.956) 3.667 6.433 ( -1.404 1.375 -1.481) 2.461======================= Grid point 116 (47/56) =======================q-point: ( 0.33 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.565 ( 4.006 2.504 3.756) 6.035 0.659 ( 3.083 5.664 0.114) 6.450 0.769 ( 3.769 2.159 -3.259) 5.431 0.834 ( 0.259 2.355 -0.072) 2.370 0.859 ( -2.537 -0.580 -2.044) 3.309 0.984 ( -5.614 1.808 2.037) 6.240 1.042 ( -0.712 3.995 0.037) 4.058 1.071 ( 2.008 1.096 -0.495) 2.340 1.168 ( -2.820 0.291 1.517) 3.215 1.220 ( -0.077 0.808 -0.181) 0.832 1.274 ( 0.701 0.097 2.729) 2.819 1.326 ( -1.286 -2.708 -2.589) 3.961 1.387 ( 1.466 -0.508 6.645) 6.824 1.408 ( 1.064 -3.628 -1.390) 4.028 1.488 ( 3.268 0.771 0.146) 3.361 1.514 ( -0.274 -0.575 -2.311) 2.397 1.532 ( -1.543 -0.240 -2.985) 3.369 1.609 ( 3.592 -0.907 0.377) 3.723 1.640 ( 5.661 -1.658 1.927) 6.206 1.713 ( 7.061 -1.217 -0.310) 7.172 1.800 ( 3.302 0.020 -5.200) 6.160 1.843 ( 3.528 -3.022 -1.829) 4.993 1.902 ( 1.088 -2.192 4.381) 5.018 1.943 ( 1.367 -2.498 2.271) 3.642 2.006 ( 4.960 -1.153 2.701) 5.764 2.081 ( 1.971 -5.399 0.319) 5.756 2.192 ( 1.049 0.907 -1.686) 2.183 2.225 ( 1.606 2.436 -1.807) 3.432 2.253 ( -0.521 -2.479 -2.515) 3.570 2.322 ( 0.227 -1.601 -1.765) 2.394 2.367 ( -2.406 0.194 0.817) 2.548 2.457 ( 0.384 2.445 3.273) 4.103 2.498 ( -1.636 0.150 -0.802) 1.828 2.590 ( -0.263 -0.057 -1.642) 1.664 2.643 ( 0.796 -1.022 1.537) 2.010 2.704 ( -0.018 1.412 0.533) 1.510 2.759 ( 1.792 -0.866 -2.174) 2.948 2.787 ( -0.039 -1.379 -0.308) 1.414 2.841 ( -3.348 0.171 -0.040) 3.353 2.868 ( -3.495 -0.960 1.370) 3.875 2.920 ( -1.011 1.303 -0.549) 1.738 2.986 ( -4.495 1.225 -0.809) 4.729 3.071 ( 0.020 -1.746 1.035) 2.030 3.115 ( -1.046 -3.162 2.924) 4.433 3.154 ( -1.942 -4.058 -2.971) 5.391 3.196 ( -0.023 1.075 -1.239) 1.641 3.247 ( -2.482 3.428 3.072) 5.230 3.342 ( -2.425 -1.172 -1.363) 3.019 3.393 ( 2.381 -0.662 3.397) 4.201 3.440 ( 1.891 -0.179 -5.164) 5.502 3.490 ( -0.981 1.142 -1.168) 1.905 3.511 ( 4.698 0.423 -1.443) 4.932 3.515 ( 0.491 -1.713 1.328) 2.223 3.575 ( 0.437 -0.683 4.954) 5.020 3.605 ( 1.137 1.485 -0.413) 1.916 3.648 ( 0.487 -2.172 -0.560) 2.295 3.681 ( -3.812 -0.252 -1.556) 4.125 3.741 ( -1.656 -6.048 -0.372) 6.281 3.783 ( -1.019 -2.164 1.731) 2.952 3.833 ( -6.359 1.027 -1.403) 6.592 3.852 ( -2.181 0.753 -0.988) 2.510 3.894 ( -1.962 0.595 1.438) 2.504 3.943 ( -0.682 -0.584 -0.569) 1.063 3.991 ( -3.923 -1.569 1.722) 4.563 4.052 ( -0.323 -2.189 -2.832) 3.594 4.084 ( 1.181 3.467 -0.179) 3.667 4.182 ( -0.599 -1.164 4.472) 4.660 4.223 ( -1.016 -1.999 -1.441) 2.666 4.262 ( 0.354 -0.338 1.094) 1.199 4.267 ( -0.702 -0.433 1.123) 1.393 4.393 ( 1.591 -0.555 -3.320) 3.723 4.454 ( -0.972 -2.114 -1.069) 2.561 4.466 ( -0.786 0.704 -0.944) 1.416 4.575 ( 0.703 -1.078 2.384) 2.709 4.614 ( 0.917 2.426 2.238) 3.426 4.664 ( 2.827 3.544 -3.660) 5.827 4.727 ( -0.704 3.767 0.145) 3.835 4.835 ( 5.439 1.111 -0.866) 5.618 4.885 ( -4.390 6.205 -0.246) 7.605 4.932 ( 0.887 -1.293 4.387) 4.659 5.001 ( 0.561 2.705 -2.326) 3.612 5.097 ( -3.942 4.531 -1.685) 6.237 5.121 ( 2.856 2.169 -1.413) 3.855 5.182 ( 2.756 -1.950 0.795) 3.469 5.270 ( 2.075 1.385 2.404) 3.464 5.345 ( 1.551 -0.593 -0.142) 1.667 5.644 ( 0.826 -4.616 -0.197) 4.693 5.684 ( -0.871 -3.502 -0.413) 3.632 5.806 ( 1.103 -1.709 2.081) 2.910 5.875 ( -0.653 0.649 -1.764) 1.990 5.980 ( 4.884 -4.961 -0.096) 6.962 6.146 ( 1.269 -5.947 -1.315) 6.222 6.176 ( -1.772 1.123 -0.636) 2.193 6.308 ( -4.047 1.489 4.533) 6.257 6.371 ( -0.062 0.367 -2.069) 2.103 6.402 ( -1.553 1.029 0.189) 1.873======================= Grid point 118 (48/56) =======================q-point: (-0.50 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( -4.807 -0.443 -2.235) 5.320 0.664 ( 4.807 -0.443 2.235) 5.320 0.788 ( -1.630 2.870 -1.944) 3.831 0.788 ( 1.630 2.870 1.944) 3.831 0.902 ( 3.502 2.783 -1.663) 4.772 0.902 ( -3.502 2.783 1.663) 4.772 1.064 ( -0.430 2.894 -1.910) 3.494 1.064 ( 0.430 2.894 1.910) 3.494 1.179 ( -2.760 0.991 -1.251) 3.188 1.179 ( 2.760 0.991 1.251) 3.188 1.296 ( -1.213 -2.344 -4.620) 5.320 1.296 ( 1.213 -2.344 4.620) 5.320 1.415 ( -0.980 -3.643 -7.080) 8.023 1.415 ( 0.980 -3.643 7.080) 8.023 1.479 ( -0.690 1.689 -7.072) 7.303 1.479 ( 0.690 1.689 7.072) 7.303 1.607 ( -0.074 -2.417 -1.771) 2.998 1.607 ( 0.074 -2.417 1.771) 2.998 1.747 ( -4.200 -1.763 -2.395) 5.146 1.747 ( 4.200 -1.763 2.395) 5.146 1.854 ( -4.216 0.420 -0.973) 4.347 1.854 ( 4.216 0.420 0.973) 4.347 1.941 ( -0.691 -2.371 -3.332) 4.147 1.941 ( 0.691 -2.371 3.332) 4.147 2.090 ( -2.092 -4.094 -0.665) 4.646 2.090 ( 2.092 -4.094 0.665) 4.646 2.224 ( -1.839 -0.292 -2.091) 2.800 2.224 ( 1.839 -0.292 2.091) 2.800 2.274 ( -0.601 -0.034 -0.319) 0.681 2.274 ( 0.601 -0.034 0.319) 0.681 2.388 ( 0.518 1.562 -2.446) 2.948 2.388 ( -0.518 1.562 2.446) 2.948 2.547 ( -1.522 -0.145 -1.211) 1.951 2.547 ( 1.522 -0.145 1.211) 1.951 2.688 ( -1.834 -0.218 -2.844) 3.391 2.688 ( 1.834 -0.218 2.844) 3.391 2.768 ( -1.073 0.660 -2.602) 2.891 2.768 ( 1.073 0.660 2.602) 2.891 2.827 ( 0.997 -0.156 -2.595) 2.785 2.827 ( -0.997 -0.156 2.595) 2.785 2.923 ( -0.969 0.736 -0.817) 1.466 2.923 ( 0.969 0.736 0.817) 1.466 3.089 ( -1.200 -3.088 -1.314) 3.564 3.089 ( 1.200 -3.088 1.314) 3.564 3.156 ( -1.089 2.278 -5.039) 5.636 3.156 ( 1.089 2.278 5.039) 5.636 3.277 ( -3.096 -0.075 -1.992) 3.682 3.277 ( 3.096 -0.075 1.992) 3.682 3.436 ( -1.163 0.069 -6.766) 6.866 3.436 ( 1.163 0.069 6.766) 6.866 3.498 ( 2.118 -0.874 -4.190) 4.775 3.498 ( -2.118 -0.874 4.190) 4.775 3.597 ( -2.525 0.098 -3.184) 4.065 3.597 ( 2.525 0.098 3.184) 4.065 3.608 ( 1.691 0.213 -1.835) 2.504 3.608 ( -1.691 0.213 1.835) 2.504 3.686 ( -3.284 -2.733 -1.218) 4.443 3.686 ( 3.284 -2.733 1.218) 4.443 3.769 ( -0.011 -1.164 -3.525) 3.713 3.769 ( 0.011 -1.164 3.525) 3.713 3.853 ( -0.981 0.746 -0.246) 1.256 3.853 ( 0.981 0.746 0.246) 1.256 3.944 ( -0.357 -1.108 -3.418) 3.611 3.944 ( 0.357 -1.108 3.418) 3.611 4.082 ( -0.461 -1.420 -1.342) 2.007 4.082 ( 0.461 -1.420 1.342) 2.007 4.188 ( -1.623 -4.009 -3.727) 5.709 4.188 ( 1.623 -4.009 3.727) 5.709 4.263 ( 0.018 -0.407 -0.892) 0.980 4.263 ( -0.018 -0.407 0.892) 0.980 4.414 ( 1.326 0.768 -2.983) 3.354 4.414 ( -1.326 0.768 2.983) 3.354 4.521 ( 2.368 -1.755 -5.505) 6.244 4.521 ( -2.368 -1.755 5.505) 6.244 4.672 ( -2.277 3.429 -0.620) 4.162 4.672 ( 2.277 3.429 0.620) 4.162 4.771 ( -2.866 7.763 -1.135) 8.353 4.771 ( 2.866 7.763 1.135) 8.353 4.925 ( 2.664 0.256 -2.556) 3.701 4.925 ( -2.664 0.256 2.556) 3.701 5.023 ( -0.439 2.637 -2.893) 3.939 5.023 ( 0.439 2.637 2.893) 3.939 5.179 ( 2.216 -0.249 -0.914) 2.410 5.179 ( -2.216 -0.249 0.914) 2.410 5.331 ( -2.754 0.324 -0.764) 2.876 5.331 ( 2.754 0.324 0.764) 2.876 5.662 ( 0.120 -4.907 -4.156) 6.432 5.662 ( -0.120 -4.907 4.156) 6.432 5.845 ( -2.222 -0.097 -2.767) 3.550 5.845 ( 2.222 -0.097 2.767) 3.550 6.080 ( -4.813 -3.191 -0.457) 5.793 6.080 ( 4.813 -3.191 0.457) 5.793 6.225 ( 3.562 -0.799 -3.456) 5.027 6.225 ( -3.562 -0.799 3.456) 5.027 6.379 ( 0.653 0.712 -1.942) 2.169 6.379 ( -0.653 0.712 1.942) 2.169======================= Grid point 126 (49/56) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 1.451 8.799 -5.740) 10.605 0.799 ( -1.451 8.799 5.740) 10.605 0.843 ( 1.596 8.332 -5.485) 10.102 0.843 ( -1.596 8.332 5.485) 10.102 0.979 ( -0.232 1.469 -1.763) 2.307 0.979 ( 0.232 1.469 1.763) 2.307 1.145 ( -0.404 -3.256 -3.082) 4.501 1.145 ( 0.404 -3.256 3.082) 4.501 1.191 ( -2.231 -1.549 -2.387) 3.616 1.191 ( 2.231 -1.549 2.387) 3.616 1.289 ( -1.356 -0.131 -2.193) 2.582 1.289 ( 1.356 -0.131 2.193) 2.582 1.336 ( -1.343 -1.529 -0.435) 2.081 1.336 ( 1.343 -1.529 0.435) 2.081 1.402 ( 0.629 0.065 -1.458) 1.590 1.402 ( -0.629 0.065 1.458) 1.590 1.490 ( 1.148 1.379 -1.835) 2.567 1.490 ( -1.148 1.379 1.835) 2.567 1.552 ( 0.563 -0.733 -2.113) 2.307 1.552 ( -0.563 -0.733 2.113) 2.307 1.723 ( 0.812 -2.276 -0.621) 2.495 1.723 ( -0.812 -2.276 0.621) 2.495 1.768 ( -1.276 -2.415 -5.003) 5.701 1.768 ( 1.276 -2.415 5.003) 5.701 2.019 ( -1.531 2.824 -1.442) 3.521 2.019 ( 1.531 2.824 1.442) 3.521 2.143 ( 0.888 -1.776 -0.659) 2.093 2.143 ( -0.888 -1.776 0.659) 2.093 2.221 ( -1.560 -0.745 -0.525) 1.807 2.221 ( 1.560 -0.745 0.525) 1.807 2.401 ( -2.045 -5.241 -1.443) 5.808 2.401 ( 2.045 -5.241 1.443) 5.808 2.601 ( 0.522 1.907 -1.470) 2.464 2.601 ( -0.522 1.907 1.470) 2.464 2.650 ( 0.920 0.772 -3.741) 3.929 2.650 ( -0.920 0.772 3.741) 3.929 2.727 ( -0.158 -1.041 -1.796) 2.082 2.727 ( 0.158 -1.041 1.796) 2.082 2.888 ( 0.643 -0.451 -2.353) 2.481 2.888 ( -0.643 -0.451 2.353) 2.481 3.029 ( 0.235 -4.444 -2.851) 5.286 3.029 ( -0.235 -4.444 2.851) 5.286 3.064 ( -4.472 -5.081 -2.742) 7.303 3.064 ( 4.472 -5.081 2.742) 7.303 3.143 ( 1.354 0.662 -2.332) 2.776 3.143 ( -1.354 0.662 2.332) 2.776 3.258 ( 0.431 -1.725 -4.051) 4.424 3.258 ( -0.431 -1.725 4.051) 4.424 3.390 ( 1.961 2.952 -2.692) 4.451 3.390 ( -1.961 2.952 2.692) 4.451 3.492 ( 1.324 -1.074 -3.564) 3.951 3.492 ( -1.324 -1.074 3.564) 3.951 3.547 ( -1.786 2.506 -3.877) 4.950 3.547 ( 1.786 2.506 3.877) 4.950 3.592 ( 0.536 -0.691 -3.969) 4.064 3.592 ( -0.536 -0.691 3.969) 4.064 3.691 ( -1.787 -2.899 -4.276) 5.467 3.691 ( 1.787 -2.899 4.276) 5.467 3.894 ( 0.076 -1.833 -6.791) 7.035 3.894 ( -0.076 -1.833 6.791) 7.035 4.003 ( -2.385 -1.035 -0.388) 2.629 4.003 ( 2.385 -1.035 0.388) 2.629 4.076 ( 0.456 -0.572 -1.783) 1.927 4.076 ( -0.456 -0.572 1.783) 1.927 4.117 ( -0.025 -1.253 -1.365) 1.854 4.117 ( 0.025 -1.253 1.365) 1.854 4.204 ( -2.195 2.677 -2.534) 4.290 4.204 ( 2.195 2.677 2.534) 4.290 4.309 ( -4.882 2.872 -3.968) 6.916 4.309 ( 4.882 2.872 3.968) 6.916 4.412 ( -0.095 -0.156 -4.049) 4.053 4.412 ( 0.095 -0.156 4.049) 4.053 4.460 ( -0.742 0.731 -1.453) 1.788 4.460 ( 0.742 0.731 1.453) 1.788 4.670 ( -3.027 -0.068 0.037) 3.028 4.670 ( 3.027 -0.068 -0.037) 3.028 4.731 ( -2.693 0.766 -0.424) 2.832 4.731 ( 2.693 0.766 0.424) 2.832 4.822 ( -1.569 -3.324 -3.798) 5.285 4.822 ( 1.569 -3.324 3.798) 5.285 5.042 ( 1.421 3.042 -1.700) 3.764 5.042 ( -1.421 3.042 1.700) 3.764 5.272 ( -0.208 2.914 -4.516) 5.378 5.272 ( 0.208 2.914 4.516) 5.378 5.302 ( 1.527 5.000 -4.085) 6.635 5.302 ( -1.527 5.000 4.085) 6.635 5.572 ( 0.526 -5.117 -2.760) 5.837 5.572 ( -0.526 -5.117 2.760) 5.837 5.818 ( 0.127 -0.995 -2.863) 3.034 5.818 ( -0.127 -0.995 2.863) 3.034 5.866 ( 1.885 -3.204 -5.377) 6.537 5.866 ( -1.885 -3.204 5.377) 6.537 6.341 ( 0.441 2.507 -1.270) 2.844 6.341 ( -0.441 2.507 1.270) 2.844 6.441 ( 0.368 -1.576 -2.155) 2.696 6.441 ( -0.368 -1.576 2.155) 2.696======================= Grid point 128 (50/56) =======================q-point: ( 0.17 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.728 ( -5.558 8.807 0.769) 10.443 0.796 ( 0.356 8.604 6.204) 10.613 0.831 ( 1.129 6.112 -5.147) 8.070 0.889 ( 1.262 7.108 -2.209) 7.549 0.940 ( -3.314 1.242 -1.678) 3.917 1.009 ( 1.634 -0.193 -0.648) 1.768 1.090 ( -3.337 -0.415 1.000) 3.508 1.153 ( -0.271 -0.551 0.614) 0.869 1.189 ( 2.066 -2.441 -0.387) 3.222 1.233 ( 0.394 0.560 -0.639) 0.937 1.258 ( -1.381 -2.050 1.174) 2.736 1.317 ( 0.738 1.195 1.593) 2.124 1.345 ( 0.529 -1.015 -1.905) 2.222 1.372 ( 1.418 -0.354 3.338) 3.644 1.406 ( 1.147 -2.362 2.824) 3.856 1.424 ( 4.370 0.933 3.321) 5.567 1.494 ( 1.807 -0.031 -1.049) 2.090 1.530 ( 2.330 -1.932 0.492) 3.067 1.570 ( 1.864 -0.436 -5.057) 5.408 1.591 ( 1.923 -0.759 0.420) 2.109 1.688 ( -1.225 -6.833 -0.828) 6.991 1.733 ( 3.187 -1.502 -3.326) 4.845 1.787 ( 1.954 -0.915 -2.355) 3.194 1.826 ( 3.740 -1.004 4.751) 6.129 2.007 ( 0.821 3.670 0.133) 3.763 2.040 ( -0.005 1.274 0.869) 1.542 2.127 ( -0.374 -2.829 -0.890) 2.989 2.171 ( 1.087 -2.275 -1.359) 2.864 2.232 ( 2.827 1.145 0.929) 3.188 2.290 ( 4.745 -1.065 -0.455) 4.884 2.350 ( -2.413 -3.058 0.575) 3.938 2.446 ( 2.103 -3.787 1.369) 4.543 2.572 ( -2.116 1.708 -0.765) 2.825 2.611 ( 0.253 2.574 -2.126) 3.348 2.633 ( -0.671 0.571 1.679) 1.896 2.689 ( 2.420 -0.758 -1.755) 3.084 2.719 ( 0.051 -0.561 -0.055) 0.566 2.733 ( 0.218 -1.312 1.323) 1.876 2.878 ( -0.358 -1.135 0.614) 1.339 2.907 ( -0.798 -1.813 -1.701) 2.611 2.940 ( -4.368 -2.099 -1.082) 4.966 3.005 ( -2.200 -4.829 -1.130) 5.425 3.037 ( -0.231 -2.791 0.210) 2.808 3.100 ( -2.921 1.292 2.533) 4.076 3.111 ( 0.413 -1.538 0.774) 1.771 3.176 ( 2.201 -3.083 2.822) 4.723 3.278 ( 0.882 0.354 1.347) 1.648 3.315 ( 3.202 -2.640 -0.697) 4.208 3.370 ( 1.951 1.861 -1.300) 2.993 3.417 ( 0.062 2.727 -2.733) 3.861 3.462 ( -1.146 -0.638 1.777) 2.208 3.509 ( 0.279 0.836 -3.867) 3.966 3.522 ( -1.250 -0.420 -0.771) 1.528 3.554 ( -0.048 0.677 0.406) 0.791 3.593 ( 2.152 1.127 5.138) 5.684 3.615 ( 0.008 -0.945 0.048) 0.946 3.664 ( -0.490 -1.787 -4.630) 4.987 3.724 ( 1.620 -2.490 3.836) 4.852 3.832 ( -6.555 1.865 0.843) 6.867 3.859 ( -3.442 -3.646 -6.568) 8.263 3.910 ( -3.980 -3.827 2.740) 6.164 3.973 ( -3.592 2.758 2.301) 5.080 4.012 ( -4.687 -3.013 0.083) 5.572 4.050 ( -4.532 0.969 -2.544) 5.287 4.088 ( -2.466 -1.138 -1.219) 2.977 4.095 ( -2.322 -1.375 -0.168) 2.704 4.203 ( -0.584 0.939 0.157) 1.117 4.242 ( -0.377 2.917 -2.128) 3.631 4.264 ( 1.930 1.709 3.264) 4.160 4.330 ( -5.478 0.854 2.198) 5.964 4.365 ( 0.038 0.007 -5.968) 5.968 4.406 ( -1.294 -4.437 2.526) 5.267 4.493 ( 2.507 3.081 0.867) 4.066 4.525 ( 6.642 1.860 0.654) 6.928 4.620 ( -1.682 0.239 1.772) 2.454 4.715 ( -0.771 -0.368 -1.689) 1.893 4.744 ( 5.748 2.359 -1.030) 6.298 4.778 ( 2.745 2.908 -3.508) 5.320 4.846 ( 2.769 -2.167 4.037) 5.353 4.910 ( 6.329 -3.837 -1.308) 7.516 5.027 ( -0.099 3.553 2.650) 4.434 5.098 ( 3.491 0.851 0.117) 3.595 5.245 ( -3.532 5.248 2.992) 6.998 5.269 ( -1.533 3.717 0.574) 4.061 5.286 ( 1.229 2.759 -2.437) 3.881 5.321 ( 1.138 4.100 -1.085) 4.392 5.548 ( -0.840 -4.886 1.358) 5.140 5.595 ( 0.565 -5.888 -1.608) 6.130 5.789 ( -1.897 0.446 1.030) 2.204 5.826 ( 0.845 -2.660 2.711) 3.890 5.849 ( 1.641 -1.532 -1.088) 2.495 5.944 ( 3.816 -5.486 -3.999) 7.788 6.286 ( -3.496 2.800 1.114) 4.616 6.372 ( 1.017 1.729 -0.757) 2.144 6.403 ( -3.472 -1.548 2.144) 4.364 6.433 ( -1.233 -1.106 -0.909) 1.889======================= Grid point 130 (51/56) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( -1.815 5.350 1.439) 5.830 0.762 ( -5.325 1.461 -1.293) 5.671 0.843 ( 1.859 5.727 2.554) 6.540 0.898 ( 0.059 3.753 -2.290) 4.397 0.942 ( 3.248 7.530 -2.941) 8.712 1.039 ( 1.315 -1.467 -0.379) 2.006 1.048 ( -0.898 2.877 1.414) 3.329 1.136 ( -0.969 0.759 0.918) 1.536 1.196 ( -2.597 2.696 1.225) 3.939 1.236 ( 2.077 0.144 1.545) 2.593 1.261 ( 1.299 -1.763 -3.158) 3.843 1.290 ( -3.094 0.360 1.524) 3.468 1.329 ( -1.102 -1.247 -1.192) 2.047 1.365 ( -1.340 -1.478 4.317) 4.756 1.485 ( 3.414 -3.638 2.083) 5.406 1.504 ( 2.163 -0.207 -2.153) 3.058 1.520 ( 0.262 -1.758 -0.323) 1.807 1.549 ( 1.024 0.245 0.662) 1.244 1.604 ( 2.135 -0.543 -0.934) 2.393 1.643 ( 2.056 -6.949 -0.742) 7.285 1.715 ( 5.212 -6.465 -1.091) 8.375 1.825 ( 4.073 -7.469 1.635) 8.663 1.856 ( 5.793 3.309 -5.267) 8.500 1.906 ( 4.225 1.412 3.553) 5.698 2.014 ( -1.451 0.964 -0.297) 1.767 2.033 ( -0.016 1.287 2.025) 2.399 2.133 ( 0.752 -3.262 -0.289) 3.360 2.176 ( -0.511 -3.216 -1.094) 3.435 2.288 ( 2.097 -0.379 0.229) 2.144 2.330 ( 1.616 3.502 -1.230) 4.048 2.375 ( 3.232 0.031 1.953) 3.776 2.486 ( 1.974 -1.387 0.799) 2.541 2.527 ( -2.674 2.467 -2.823) 4.605 2.575 ( -3.916 0.133 1.349) 4.144 2.645 ( 1.753 1.258 -1.069) 2.408 2.706 ( -0.323 -1.239 0.304) 1.316 2.741 ( 1.412 -1.455 0.451) 2.077 2.752 ( 1.788 -1.307 -0.687) 2.319 2.835 ( -2.502 -1.724 -0.666) 3.110 2.862 ( -0.974 0.693 -0.711) 1.390 2.915 ( -2.215 -3.924 -1.872) 4.879 2.955 ( -2.906 -3.881 -0.053) 4.849 3.032 ( -0.813 2.688 0.409) 2.838 3.058 ( -0.759 0.308 0.366) 0.897 3.135 ( 2.573 -0.423 3.068) 4.027 3.199 ( 0.472 -1.342 1.968) 2.429 3.291 ( 0.899 -0.332 3.018) 3.166 3.335 ( -2.079 0.278 -1.113) 2.374 3.389 ( 1.282 -0.233 -0.707) 1.482 3.428 ( 0.494 -0.764 -2.920) 3.058 3.476 ( -0.631 -1.065 0.066) 1.240 3.485 ( -0.892 -0.279 0.952) 1.335 3.523 ( 2.756 1.121 -1.743) 3.448 3.560 ( 0.058 0.207 1.258) 1.276 3.615 ( 0.695 -2.053 -1.756) 2.789 3.648 ( 2.336 1.620 2.559) 3.825 3.667 ( 0.453 1.956 -3.688) 4.199 3.681 ( -5.742 -1.873 0.275) 6.046 3.755 ( -0.419 0.154 2.657) 2.695 3.795 ( -2.887 -3.286 -4.394) 6.200 3.879 ( -0.182 -1.175 1.463) 1.885 3.911 ( -1.957 1.704 3.852) 4.645 3.938 ( -3.852 0.530 -1.707) 4.247 3.966 ( -1.503 -1.430 1.419) 2.513 4.016 ( -4.436 -0.876 -0.223) 4.527 4.050 ( -1.850 -4.340 -1.110) 4.846 4.138 ( -5.105 -2.042 0.074) 5.499 4.171 ( -6.136 -2.381 -3.497) 7.453 4.283 ( 0.469 2.040 -2.833) 3.522 4.292 ( 0.348 2.047 3.931) 4.445 4.377 ( 1.452 -1.295 -6.517) 6.801 4.406 ( 0.755 -2.253 6.114) 6.559 4.539 ( 1.713 4.084 -0.170) 4.432 4.575 ( -1.099 3.198 1.175) 3.580 4.665 ( 4.833 0.250 0.803) 4.906 4.707 ( 0.564 0.264 -1.405) 1.536 4.836 ( 3.752 4.759 -3.555) 7.026 4.856 ( 4.689 1.751 1.397) 5.197 4.899 ( 2.631 -0.993 3.126) 4.205 5.000 ( 0.246 4.360 -2.956) 5.274 5.030 ( 2.308 -1.071 2.276) 3.414 5.143 ( 0.198 -0.345 1.354) 1.412 5.178 ( -2.195 2.891 -0.214) 3.636 5.204 ( -4.441 2.833 -0.608) 5.302 5.323 ( 1.968 4.015 1.169) 4.621 5.349 ( 1.472 1.491 0.958) 2.304 5.540 ( -0.231 -4.994 -0.465) 5.021 5.582 ( -1.721 -5.592 -0.907) 5.921 5.775 ( 0.858 -0.647 1.571) 1.903 5.853 ( -0.562 -2.731 0.373) 2.813 5.904 ( 5.542 -1.458 -0.968) 5.812 6.011 ( 3.006 -5.992 -3.064) 7.371 6.221 ( -2.723 2.779 0.042) 3.891 6.317 ( -5.139 -0.707 3.207) 6.099 6.381 ( 0.025 0.495 -1.343) 1.431 6.405 ( -1.498 -0.608 0.134) 1.623======================= Grid point 132 (52/56) =======================q-point: (-0.50 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -3.131 1.355 -2.326) 4.129 0.668 ( 3.131 1.355 2.326) 4.129 0.882 ( -1.734 5.178 -2.657) 6.072 0.882 ( 1.734 5.178 2.657) 6.072 1.009 ( 2.851 5.763 -2.289) 6.825 1.009 ( -2.851 5.763 2.289) 6.825 1.088 ( 1.884 -0.862 -1.739) 2.705 1.088 ( -1.884 -0.862 1.739) 2.705 1.213 ( -2.594 2.535 -0.573) 3.672 1.213 ( 2.594 2.535 0.573) 3.672 1.272 ( -0.493 0.296 -3.796) 3.839 1.272 ( 0.493 0.296 3.796) 3.839 1.331 ( 0.716 -3.417 -5.150) 6.222 1.331 ( -0.716 -3.417 5.150) 6.222 1.504 ( -0.808 0.111 -2.734) 2.853 1.504 ( 0.808 0.111 2.734) 2.853 1.556 ( -1.132 -2.593 -0.613) 2.895 1.556 ( 1.132 -2.593 0.613) 2.895 1.636 ( -1.457 -6.175 -0.407) 6.358 1.636 ( 1.457 -6.175 0.407) 6.358 1.843 ( -4.250 -4.076 0.467) 5.907 1.843 ( 4.250 -4.076 -0.467) 5.907 1.931 ( 1.700 1.460 -3.915) 4.511 1.931 ( -1.700 1.460 3.915) 4.511 2.011 ( -1.192 -1.004 -0.469) 1.628 2.011 ( 1.192 -1.004 0.469) 1.628 2.153 ( -1.404 -2.968 -1.060) 3.450 2.153 ( 1.404 -2.968 1.060) 3.450 2.339 ( -1.483 2.708 -1.536) 3.448 2.339 ( 1.483 2.708 1.536) 3.448 2.443 ( -4.791 1.802 -3.955) 6.468 2.443 ( 4.791 1.802 3.955) 6.468 2.519 ( -1.680 -0.341 0.344) 1.748 2.519 ( 1.680 -0.341 -0.344) 1.748 2.685 ( -1.798 -0.378 0.484) 1.900 2.685 ( 1.798 -0.378 -0.484) 1.900 2.764 ( 0.135 -1.524 -4.092) 4.369 2.764 ( -0.135 -1.524 4.092) 4.369 2.838 ( -2.143 0.618 -1.024) 2.454 2.838 ( 2.143 0.618 1.024) 2.454 2.897 ( 0.937 -3.265 -2.091) 3.988 2.897 ( -0.937 -3.265 2.091) 3.988 3.040 ( -0.972 1.046 -0.777) 1.625 3.040 ( 0.972 1.046 0.777) 1.625 3.190 ( -1.617 -0.472 -3.562) 3.940 3.190 ( 1.617 -0.472 3.562) 3.940 3.296 ( -0.799 1.424 -4.274) 4.575 3.296 ( 0.799 1.424 4.274) 4.575 3.435 ( 2.774 -2.249 -2.736) 4.499 3.435 ( -2.774 -2.249 2.736) 4.499 3.453 ( 1.733 -0.508 -5.506) 5.795 3.453 ( -1.733 -0.508 5.506) 5.795 3.583 ( -2.001 -1.179 -3.520) 4.217 3.583 ( 2.001 -1.179 3.520) 4.217 3.600 ( -1.954 0.393 -2.342) 3.075 3.600 ( 1.954 0.393 2.342) 3.075 3.678 ( -0.238 2.013 -4.403) 4.847 3.678 ( 0.238 2.013 4.403) 4.847 3.755 ( -1.093 -1.995 -1.733) 2.860 3.755 ( 1.093 -1.995 1.733) 2.860 3.877 ( -1.025 1.260 -1.583) 2.268 3.877 ( 1.025 1.260 1.583) 2.268 3.935 ( -2.931 0.737 -2.016) 3.633 3.935 ( 2.931 0.737 2.016) 3.633 4.011 ( -3.201 -4.157 -5.317) 7.470 4.011 ( 3.201 -4.157 5.317) 7.470 4.085 ( -1.943 -4.254 -5.997) 7.605 4.085 ( 1.943 -4.254 5.997) 7.605 4.291 ( 0.320 2.023 -4.981) 5.385 4.291 ( -0.320 2.023 4.981) 5.385 4.406 ( 0.830 -2.224 -7.593) 7.956 4.406 ( -0.830 -2.224 7.593) 7.956 4.556 ( 0.309 4.913 -1.179) 5.062 4.556 ( -0.309 4.913 1.179) 5.062 4.716 ( 0.888 -0.169 -2.122) 2.307 4.716 ( -0.888 -0.169 2.122) 2.307 4.901 ( -1.528 2.155 -1.325) 2.955 4.901 ( 1.528 2.155 1.325) 2.955 4.950 ( -2.396 4.392 -2.362) 5.533 4.950 ( 2.396 4.392 2.362) 5.533 5.088 ( -2.603 2.637 -0.108) 3.707 5.088 ( 2.603 2.637 0.108) 3.707 5.167 ( 0.539 -1.097 -1.227) 1.732 5.167 ( -0.539 -1.097 1.227) 1.732 5.354 ( -0.928 2.042 -1.483) 2.689 5.354 ( 0.928 2.042 1.483) 2.689 5.548 ( 0.191 -5.328 -2.519) 5.896 5.548 ( -0.191 -5.328 2.519) 5.896 5.815 ( -2.703 -2.241 -1.395) 3.778 5.815 ( 2.703 -2.241 1.395) 3.778 6.009 ( -3.433 -2.857 -0.505) 4.495 6.009 ( 3.433 -2.857 0.505) 4.495 6.227 ( 3.608 0.767 -2.972) 4.737 6.227 ( -3.608 0.767 2.972) 4.737 6.384 ( 0.488 -0.312 -1.272) 1.397 6.384 ( -0.488 -0.312 1.272) 1.397======================= Grid point 140 (53/56) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -0.000 0.000 -0.000) 0.000 0.936 ( -0.000 0.000 0.000) 0.000 0.974 ( 0.000 -0.000 -0.000) 0.000 0.974 ( -0.000 0.000 0.000) 0.000 0.977 ( -0.000 -0.000 -0.000) 0.000 0.977 ( -0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.095 ( -0.000 0.000 0.000) 0.000 1.119 ( -0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.301 ( -0.000 -0.000 -0.000) 0.000 1.301 ( 0.000 -0.000 0.000) 0.000 1.302 ( -0.000 0.000 -0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.406 ( -0.000 0.000 0.000) 0.000 1.518 ( -0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 -0.000) 0.000 1.546 ( -0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 -0.000) 0.000 1.693 ( -0.000 0.000 0.000) 0.000 1.741 ( -0.000 0.000 -0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 2.118 ( -0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.215 ( -0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.621 ( -0.000 0.000 0.000) 0.000 2.680 ( -0.000 0.000 -0.000) 0.000 2.680 ( -0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.704 ( -0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.990 ( -0.000 0.000 -0.000) 0.000 2.990 ( 0.000 -0.000 0.000) 0.000 2.995 ( -0.000 -0.000 -0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.150 ( -0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 -0.000) 0.000 3.461 ( -0.000 0.000 0.000) 0.000 3.472 ( -0.000 -0.000 -0.000) 0.000 3.472 ( -0.000 -0.000 0.000) 0.000 3.541 ( 0.000 -0.000 -0.000) 0.000 3.541 ( -0.000 0.000 0.000) 0.000 3.607 ( -0.000 0.000 0.000) 0.000 3.607 ( -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 3.872 ( -0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.973 ( -0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 -0.000) 0.000 4.057 ( -0.000 0.000 0.000) 0.000 4.124 ( -0.000 0.000 -0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.231 ( -0.000 0.000 -0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.356 ( -0.000 0.000 -0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 -0.000) 0.000 4.426 ( 0.000 -0.000 0.000) 0.000 4.451 ( -0.000 0.000 0.000) 0.000 4.451 ( -0.000 0.000 0.000) 0.000 4.680 ( -0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.707 ( -0.000 0.000 0.000) 0.000 4.707 ( -0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.802 ( -0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.078 ( -0.000 0.000 0.000) 0.000 5.301 ( -0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 -0.000) 0.000 5.412 ( -0.000 0.000 -0.000) 0.000 5.463 ( -0.000 -0.000 -0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 -0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.841 ( -0.000 0.000 0.000) 0.000 5.841 ( -0.000 0.000 0.000) 0.000 6.388 ( -0.000 -0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 -0.000 0.000) 0.000 6.401 ( -0.000 0.000 0.000) 0.000======================= Grid point 144 (54/56) =======================q-point: ( 0.17 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( -6.699 -3.710 -1.178) 7.748 0.871 ( -6.699 3.710 -1.178) 7.748 0.933 ( -0.339 -2.478 3.366) 4.193 0.933 ( -0.339 2.478 3.366) 4.193 1.013 ( 1.460 -0.635 -2.425) 2.901 1.013 ( 1.460 0.635 -2.425) 2.901 1.098 ( -0.630 -3.149 -2.020) 3.794 1.098 ( -0.630 3.149 -2.020) 3.794 1.161 ( 4.041 -2.608 1.896) 5.170 1.161 ( 4.041 2.608 1.896) 5.170 1.280 ( 0.392 -2.708 -1.047) 2.929 1.280 ( 0.392 2.708 -1.047) 2.929 1.360 ( 0.695 -2.265 2.464) 3.418 1.360 ( 0.695 2.265 2.464) 3.418 1.431 ( 3.763 -2.316 1.333) 4.615 1.431 ( 3.763 2.316 1.333) 4.615 1.512 ( -0.274 -1.083 -0.184) 1.132 1.512 ( -0.274 1.083 -0.184) 1.132 1.555 ( 1.099 -0.864 -2.580) 2.934 1.555 ( 1.099 0.864 -2.580) 2.934 1.635 ( -2.647 -3.552 1.942) 4.837 1.635 ( -2.647 3.552 1.942) 4.837 1.816 ( 5.141 -1.317 -0.565) 5.337 1.816 ( 5.141 1.317 -0.565) 5.337 2.082 ( 0.208 -1.420 -0.279) 1.462 2.082 ( 0.208 1.420 -0.279) 1.462 2.106 ( -0.988 -3.224 -0.209) 3.379 2.106 ( -0.988 3.224 -0.209) 3.379 2.246 ( 2.847 -2.084 -0.541) 3.570 2.246 ( 2.847 2.084 -0.541) 3.570 2.357 ( 3.954 -3.268 1.437) 5.327 2.357 ( 3.954 3.268 1.437) 5.327 2.611 ( -1.132 -1.712 -0.947) 2.260 2.611 ( -1.132 1.712 -0.947) 2.260 2.677 ( -0.161 -1.649 1.304) 2.108 2.677 ( -0.161 1.649 1.304) 2.108 2.712 ( 0.687 -1.396 -1.628) 2.252 2.712 ( 0.687 1.396 -1.628) 2.252 2.854 ( -2.338 -0.554 0.032) 2.403 2.854 ( -2.338 0.554 0.032) 2.403 2.933 ( -1.959 -1.549 -2.524) 3.551 2.933 ( -1.959 1.549 -2.524) 3.551 3.060 ( 3.125 -2.620 4.105) 5.786 3.060 ( 3.125 2.620 4.105) 5.786 3.130 ( -1.199 -1.531 1.140) 2.254 3.130 ( -1.199 1.531 1.140) 2.254 3.278 ( 2.579 -0.519 -1.475) 3.016 3.278 ( 2.579 0.519 -1.475) 3.016 3.438 ( -2.048 -2.455 2.377) 3.984 3.438 ( -2.048 2.455 2.377) 3.984 3.470 ( 1.015 -1.585 -2.526) 3.151 3.470 ( 1.015 1.585 -2.526) 3.151 3.544 ( -0.620 -2.516 -1.882) 3.203 3.544 ( -0.620 2.516 -1.882) 3.203 3.614 ( 0.918 -2.930 -1.782) 3.550 3.614 ( 0.918 2.930 -1.782) 3.550 3.670 ( 1.855 -3.267 2.978) 4.794 3.670 ( 1.855 3.267 2.978) 4.794 3.830 ( -4.536 -1.698 -0.348) 4.856 3.830 ( -4.536 1.698 -0.348) 4.856 3.907 ( -3.658 -4.610 -0.109) 5.886 3.907 ( -3.658 4.610 -0.109) 5.886 4.038 ( -3.447 -2.466 0.124) 4.240 4.038 ( -3.447 2.466 0.124) 4.240 4.074 ( -3.675 -0.576 -0.670) 3.780 4.074 ( -3.675 0.576 -0.670) 3.780 4.252 ( -3.031 -2.560 1.818) 4.364 4.252 ( -3.031 2.560 1.818) 4.364 4.316 ( 0.430 -2.767 -0.387) 2.827 4.316 ( 0.430 2.767 -0.387) 2.827 4.351 ( -2.906 -1.871 -2.993) 4.572 4.351 ( -2.906 1.871 -2.993) 4.572 4.544 ( 5.153 -1.084 0.716) 5.315 4.544 ( 5.153 1.084 0.716) 5.315 4.663 ( -0.747 -3.137 -0.417) 3.251 4.663 ( -0.747 3.137 -0.417) 3.251 4.794 ( 6.552 -2.472 3.108) 7.661 4.794 ( 6.552 2.472 3.108) 7.661 4.840 ( 3.636 -2.277 -2.269) 4.853 4.840 ( 3.636 2.277 -2.269) 4.853 5.091 ( 1.039 -1.808 1.233) 2.422 5.091 ( 1.039 1.808 1.233) 2.422 5.291 ( -1.903 -0.323 0.820) 2.098 5.291 ( -1.903 0.323 0.820) 2.098 5.407 ( -0.331 -3.314 -0.616) 3.387 5.407 ( -0.331 3.314 -0.616) 3.387 5.463 ( 0.322 -3.808 -0.080) 3.823 5.463 ( 0.322 3.808 -0.080) 3.823 5.801 ( 0.044 -0.428 3.526) 3.552 5.801 ( 0.044 0.428 3.526) 3.552 5.853 ( 1.562 -2.824 -4.317) 5.390 5.853 ( 1.562 2.824 -4.317) 5.390 6.349 ( -3.209 -2.964 0.729) 4.429 6.349 ( -3.209 2.964 0.729) 4.429 6.405 ( -0.262 -1.295 -0.192) 1.335 6.405 ( -0.262 1.295 -0.192) 1.335======================= Grid point 148 (55/56) =======================q-point: ( 0.33 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( -5.377 -2.713 -0.583) 6.051 0.747 ( -5.377 2.713 -0.583) 6.051 0.947 ( 1.448 -1.777 2.476) 3.374 0.947 ( 1.448 1.777 2.476) 3.374 1.024 ( -0.181 -1.972 -0.989) 2.214 1.024 ( -0.181 1.972 -0.989) 2.214 1.103 ( 1.279 -4.123 -2.343) 4.911 1.103 ( 1.279 4.123 -2.343) 4.911 1.227 ( 2.941 -0.507 0.745) 3.076 1.227 ( 2.941 0.507 0.745) 3.076 1.277 ( -1.239 -3.012 0.376) 3.278 1.277 ( -1.239 3.012 0.376) 3.278 1.343 ( -1.915 -0.403 1.522) 2.479 1.343 ( -1.915 0.403 1.522) 2.479 1.465 ( 0.153 -6.147 0.186) 6.152 1.465 ( 0.153 6.147 0.186) 6.152 1.521 ( 0.480 -0.812 -2.050) 2.257 1.521 ( 0.480 0.812 -2.050) 2.257 1.577 ( -0.374 -2.279 0.877) 2.471 1.577 ( -0.374 2.279 0.877) 2.471 1.675 ( 7.358 -3.926 1.023) 8.402 1.675 ( 7.358 3.926 1.023) 8.402 1.914 ( 4.567 -1.309 0.102) 4.752 1.914 ( 4.567 1.309 0.102) 4.752 2.051 ( -2.906 -1.882 -0.686) 3.529 2.051 ( -2.906 1.882 -0.686) 3.529 2.110 ( 0.738 -2.157 0.690) 2.382 2.110 ( 0.737 2.157 0.690) 2.382 2.313 ( 4.132 -2.976 -1.395) 5.280 2.313 ( 4.132 2.976 -1.395) 5.280 2.430 ( 2.627 -3.475 1.768) 4.701 2.430 ( 2.627 3.475 1.768) 4.701 2.575 ( -2.560 -1.327 -1.514) 3.257 2.575 ( -2.560 1.327 -1.514) 3.257 2.675 ( -0.066 -1.117 1.080) 1.555 2.675 ( -0.066 1.117 1.080) 1.555 2.727 ( 0.851 -1.198 -1.194) 1.894 2.727 ( 0.851 1.198 -1.194) 1.894 2.815 ( -0.951 -1.360 -0.634) 1.776 2.815 ( -0.951 1.360 -0.634) 1.776 2.906 ( -1.533 -1.413 -0.568) 2.161 2.906 ( -1.533 1.413 -0.568) 2.161 3.081 ( -0.949 -0.471 -0.014) 1.060 3.081 ( -0.949 0.471 -0.014) 1.060 3.143 ( 2.495 -2.907 4.078) 5.595 3.143 ( 2.495 2.907 4.078) 5.595 3.304 ( 0.822 -2.016 -1.382) 2.579 3.304 ( 0.822 2.016 -1.382) 2.579 3.402 ( -1.477 -1.534 0.924) 2.321 3.402 ( -1.477 1.534 0.924) 2.321 3.483 ( -1.114 -0.495 0.144) 1.227 3.483 ( -1.114 0.495 0.144) 1.227 3.557 ( 2.542 -1.311 -4.187) 5.070 3.557 ( 2.542 1.311 -4.187) 5.070 3.614 ( -1.136 -2.125 2.250) 3.297 3.614 ( -1.136 2.125 2.250) 3.297 3.699 ( 0.877 -1.891 -1.309) 2.462 3.699 ( 0.877 1.891 -1.309) 2.462 3.751 ( -2.868 -0.210 -0.772) 2.978 3.751 ( -2.868 0.210 -0.772) 2.978 3.878 ( 0.993 -3.016 3.536) 4.753 3.878 ( 0.993 3.016 3.536) 4.753 3.956 ( -3.842 -1.570 -2.097) 4.650 3.956 ( -3.842 1.570 -2.097) 4.650 4.001 ( -3.526 -1.447 2.681) 4.660 4.001 ( -3.526 1.447 2.681) 4.660 4.131 ( -7.186 -1.193 -4.102) 8.360 4.131 ( -7.186 1.193 -4.102) 8.360 4.322 ( -0.100 -0.688 -2.692) 2.780 4.322 ( -0.100 0.688 -2.692) 2.780 4.359 ( 1.363 -1.123 2.895) 3.391 4.359 ( 1.363 1.123 2.895) 3.391 4.623 ( 2.957 -3.575 0.246) 4.646 4.623 ( 2.957 3.575 0.246) 4.646 4.665 ( 0.723 -3.736 0.255) 3.814 4.665 ( 0.723 3.736 0.255) 3.814 4.877 ( 2.967 -1.189 0.549) 3.243 4.877 ( 2.967 1.189 0.549) 3.243 4.951 ( 6.439 -4.591 -0.940) 7.964 4.951 ( 6.439 4.591 -0.940) 7.964 5.104 ( 0.304 -3.584 0.812) 3.687 5.104 ( 0.304 3.584 0.812) 3.687 5.221 ( -4.953 -0.798 0.804) 5.081 5.221 ( -4.953 0.798 0.804) 5.081 5.400 ( -0.312 -0.961 1.464) 1.779 5.400 ( -0.312 0.961 1.464) 1.779 5.472 ( 0.161 -2.523 -1.385) 2.883 5.472 ( 0.161 2.523 -1.385) 2.883 5.794 ( -0.734 -2.207 1.816) 2.951 5.794 ( -0.734 2.207 1.816) 2.951 5.915 ( 4.651 -2.588 -3.075) 6.147 5.915 ( 4.651 2.588 -3.075) 6.147 6.281 ( -3.549 -2.570 1.079) 4.513 6.281 ( -3.549 2.570 1.079) 4.513 6.391 ( -1.088 -0.523 -0.190) 1.223 6.391 ( -1.088 0.523 -0.190) 1.223======================= Grid point 152 (56/56) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 0.000 -0.000 0.000) 0.000 0.692 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 -0.000) 0.000 0.967 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 -0.000) 0.000 1.019 ( 0.000 0.000 -0.000) 0.000 1.125 ( 0.000 0.000 0.000) 0.000 1.125 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 -0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.290 ( -0.000 0.000 0.000) 0.000 1.290 ( -0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 -0.000) 0.000 1.297 ( 0.000 0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 -0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 -0.000 -0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.774 ( -0.000 0.000 -0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 -0.000) 0.000 1.958 ( 0.000 0.000 -0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 -0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.546 ( 0.000 0.000 -0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.817 ( -0.000 0.000 -0.000) 0.000 2.817 ( -0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 -0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 -0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 -0.000) 0.000 3.569 ( 0.000 0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 -0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.714 ( -0.000 -0.000 -0.000) 0.000 3.714 ( 0.000 0.000 -0.000) 0.000 3.899 ( 0.000 0.000 -0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.930 ( -0.000 -0.000 -0.000) 0.000 3.930 ( 0.000 -0.000 0.000) 0.000 3.972 ( -0.000 0.000 -0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 -0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 -0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 -0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 -0.000 -0.000) 0.000 4.662 ( -0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 -0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 -0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 -0.000 -0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 -0.000 -0.000) 0.000 5.127 ( 0.000 0.000 -0.000) 0.000 5.131 ( 0.000 -0.000 0.000) 0.000 5.131 ( -0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 -0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 -0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.239 ( -0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/13824 10.0 31.706 31.408 20.794 0.000 -3.065 0.000 3/13824 20.0 5.797 6.159 4.385 0.000 -0.455 0.000 3/13824 30.0 2.533 2.779 2.042 0.000 -0.171 0.000 3/13824 40.0 1.520 1.693 1.265 0.000 -0.091 0.000 3/13824 50.0 1.070 1.200 0.907 0.000 -0.057 0.000 3/13824 60.0 0.825 0.928 0.707 0.000 -0.040 0.000 3/13824 70.0 0.674 0.758 0.581 0.000 -0.031 0.000 3/13824 80.0 0.571 0.643 0.495 0.000 -0.025 0.000 3/13824 90.0 0.496 0.559 0.432 0.000 -0.021 0.000 3/13824 100.0 0.440 0.495 0.383 0.000 -0.018 0.000 3/13824 110.0 0.395 0.445 0.345 0.000 -0.016 0.000 3/13824 120.0 0.359 0.404 0.314 0.000 -0.014 0.000 3/13824 130.0 0.329 0.371 0.288 0.000 -0.013 0.000 3/13824 140.0 0.304 0.343 0.267 0.000 -0.011 0.000 3/13824 150.0 0.283 0.318 0.248 0.000 -0.011 0.000 3/13824 160.0 0.264 0.298 0.232 0.000 -0.010 0.000 3/13824 170.0 0.248 0.279 0.218 0.000 -0.009 0.000 3/13824 180.0 0.234 0.263 0.205 0.000 -0.008 0.000 3/13824 190.0 0.221 0.249 0.194 0.000 -0.008 0.000 3/13824 200.0 0.210 0.236 0.184 0.000 -0.008 0.000 3/13824 210.0 0.199 0.224 0.175 0.000 -0.007 0.000 3/13824 220.0 0.190 0.214 0.167 0.000 -0.007 0.000 3/13824 230.0 0.182 0.205 0.160 0.000 -0.006 0.000 3/13824 240.0 0.174 0.196 0.153 0.000 -0.006 0.000 3/13824 250.0 0.167 0.188 0.147 0.000 -0.006 0.000 3/13824 260.0 0.160 0.181 0.141 0.000 -0.006 0.000 3/13824 270.0 0.154 0.174 0.136 0.000 -0.005 0.000 3/13824 280.0 0.149 0.167 0.131 0.000 -0.005 0.000 3/13824 290.0 0.143 0.162 0.126 0.000 -0.005 0.000 3/13824 300.0 0.139 0.156 0.122 0.000 -0.005 0.000 3/13824 310.0 0.134 0.151 0.118 0.000 -0.005 0.000 3/13824 320.0 0.130 0.146 0.114 0.000 -0.005 0.000 3/13824 330.0 0.126 0.142 0.111 0.000 -0.004 0.000 3/13824 340.0 0.122 0.138 0.108 0.000 -0.004 0.000 3/13824 350.0 0.119 0.134 0.104 0.000 -0.004 0.000 3/13824 360.0 0.115 0.130 0.102 0.000 -0.004 0.000 3/13824 370.0 0.112 0.126 0.099 0.000 -0.004 0.000 3/13824 380.0 0.109 0.123 0.096 0.000 -0.004 0.000 3/13824 390.0 0.106 0.120 0.094 0.000 -0.004 0.000 3/13824 400.0 0.104 0.117 0.091 0.000 -0.004 0.000 3/13824 410.0 0.101 0.114 0.089 0.000 -0.004 0.000 3/13824 420.0 0.099 0.111 0.087 0.000 -0.003 0.000 3/13824 430.0 0.096 0.109 0.085 0.000 -0.003 0.000 3/13824 440.0 0.094 0.106 0.083 0.000 -0.003 0.000 3/13824 450.0 0.092 0.104 0.081 0.000 -0.003 0.000 3/13824 460.0 0.090 0.102 0.079 0.000 -0.003 0.000 3/13824 470.0 0.088 0.099 0.078 0.000 -0.003 0.000 3/13824 480.0 0.086 0.097 0.076 0.000 -0.003 0.000 3/13824 490.0 0.085 0.095 0.074 0.000 -0.003 0.000 3/13824 500.0 0.083 0.093 0.073 0.000 -0.003 0.000 3/13824 510.0 0.081 0.092 0.072 0.000 -0.003 0.000 3/13824 520.0 0.080 0.090 0.070 0.000 -0.003 0.000 3/13824 530.0 0.078 0.088 0.069 0.000 -0.003 0.000 3/13824 540.0 0.077 0.086 0.068 0.000 -0.003 0.000 3/13824 550.0 0.075 0.085 0.066 0.000 -0.003 0.000 3/13824 560.0 0.074 0.083 0.065 0.000 -0.003 0.000 3/13824 570.0 0.073 0.082 0.064 0.000 -0.003 0.000 3/13824 580.0 0.071 0.080 0.063 0.000 -0.002 0.000 3/13824 590.0 0.070 0.079 0.062 0.000 -0.002 0.000 3/13824 600.0 0.069 0.078 0.061 0.000 -0.002 0.000 3/13824 610.0 0.068 0.076 0.060 0.000 -0.002 0.000 3/13824 620.0 0.067 0.075 0.059 0.000 -0.002 0.000 3/13824 630.0 0.066 0.074 0.058 0.000 -0.002 0.000 3/13824 640.0 0.065 0.073 0.057 0.000 -0.002 0.000 3/13824 650.0 0.064 0.072 0.056 0.000 -0.002 0.000 3/13824 660.0 0.063 0.071 0.055 0.000 -0.002 0.000 3/13824 670.0 0.062 0.070 0.054 0.000 -0.002 0.000 3/13824 680.0 0.061 0.069 0.054 0.000 -0.002 0.000 3/13824 690.0 0.060 0.068 0.053 0.000 -0.002 0.000 3/13824 700.0 0.059 0.067 0.052 0.000 -0.002 0.000 3/13824 710.0 0.058 0.066 0.051 0.000 -0.002 0.000 3/13824 720.0 0.058 0.065 0.051 0.000 -0.002 0.000 3/13824 730.0 0.057 0.064 0.050 0.000 -0.002 0.000 3/13824 740.0 0.056 0.063 0.049 0.000 -0.002 0.000 3/13824 750.0 0.055 0.062 0.049 0.000 -0.002 0.000 3/13824 760.0 0.054 0.061 0.048 0.000 -0.002 0.000 3/13824 770.0 0.054 0.061 0.047 0.000 -0.002 0.000 3/13824 780.0 0.053 0.060 0.047 0.000 -0.002 0.000 3/13824 790.0 0.052 0.059 0.046 0.000 -0.002 0.000 3/13824 800.0 0.052 0.058 0.046 0.000 -0.002 0.000 3/13824 810.0 0.051 0.058 0.045 0.000 -0.002 0.000 3/13824 820.0 0.050 0.057 0.044 0.000 -0.002 0.000 3/13824 830.0 0.050 0.056 0.044 0.000 -0.002 0.000 3/13824 840.0 0.049 0.056 0.043 0.000 -0.002 0.000 3/13824 850.0 0.049 0.055 0.043 0.000 -0.002 0.000 3/13824 860.0 0.048 0.054 0.042 0.000 -0.002 0.000 3/13824 870.0 0.048 0.054 0.042 0.000 -0.002 0.000 3/13824 880.0 0.047 0.053 0.041 0.000 -0.002 0.000 3/13824 890.0 0.047 0.052 0.041 0.000 -0.002 0.000 3/13824 900.0 0.046 0.052 0.041 0.000 -0.002 0.000 3/13824 910.0 0.045 0.051 0.040 0.000 -0.002 0.000 3/13824 920.0 0.045 0.051 0.040 0.000 -0.002 0.000 3/13824 930.0 0.045 0.050 0.039 0.000 -0.002 0.000 3/13824 940.0 0.044 0.050 0.039 0.000 -0.002 0.000 3/13824 950.0 0.044 0.049 0.038 0.000 -0.002 0.000 3/13824 960.0 0.043 0.049 0.038 0.000 -0.001 0.000 3/13824 970.0 0.043 0.048 0.038 0.000 -0.001 0.000 3/13824 980.0 0.042 0.048 0.037 0.000 -0.001 0.000 3/13824 990.0 0.042 0.047 0.037 0.000 -0.001 0.000 3/13824 1000.0 0.041 0.047 0.036 0.000 -0.001 0.000 3/13824Thermal conductivity related properties were written into "kappa-m664.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 20:21:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|