----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.401235121449472 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): *1 O 0.73713081670083 0.42617360098884 0.82196709461029 15.999 2 O 0.26286918329918 0.92617360098884 0.67803290538971 15.999 3 O 0.26286918329918 0.57382639901116 0.17803290538971 15.999 4 O 0.73713081670083 0.07382639901116 0.32196709461029 15.999 *5 O 0.77404744036123 0.64171026349946 0.50676192387349 15.999 6 O 0.22595255963877 0.14171026349946 0.99323807612651 15.999 7 O 0.22595255963877 0.35828973650055 0.49323807612651 15.999 8 O 0.77404744036123 0.85828973650054 0.00676192387349 15.999 *9 O 0.43491252423336 0.69406999689601 0.39266186195116 15.999 10 O 0.56508747576664 0.19406999689601 0.10733813804884 15.999 11 O 0.56508747576664 0.30593000310399 0.60733813804884 15.999 12 O 0.43491252423336 0.80593000310399 0.89266186195116 15.999 *13 O 0.07458371732791 0.69807523443201 0.42649436528147 15.999 14 O 0.92541628267209 0.19807523443201 0.07350563471853 15.999 15 O 0.92541628267209 0.30192476556799 0.57350563471853 15.999 16 O 0.07458371732791 0.80192476556799 0.92649436528147 15.999 *17 O 0.56068876342575 0.87218765516432 0.62224116059587 15.999 18 O 0.43931123657425 0.37218765516432 0.87775883940413 15.999 19 O 0.43931123657425 0.12781234483568 0.37775883940413 15.999 20 O 0.56068876342575 0.62781234483568 0.12224116059587 15.999 *21 O 0.01780150818057 0.90172290673472 0.19466234374315 15.999 22 O 0.98219849181943 0.40172290673472 0.30533765625685 15.999 23 O 0.98219849181943 0.09827709326528 0.80533765625685 15.999 24 O 0.01780150818057 0.59827709326528 0.69466234374315 15.999 *25 O 0.48654638004681 0.93046855076271 0.19072553559606 15.999 26 O 0.51345361995319 0.43046855076271 0.30927446440394 15.999 27 O 0.51345361995319 0.06953144923729 0.80927446440394 15.999 28 O 0.48654638004681 0.56953144923729 0.69072553559606 15.999 *29 O 0.93628481894680 0.63537651761789 0.11945857390961 15.999 30 O 0.06371518105320 0.13537651761789 0.38054142609039 15.999 31 O 0.06371518105320 0.36462348238211 0.88054142609039 15.999 32 O 0.93628481894680 0.86462348238211 0.61945857390961 15.999 *33 Si 0.55958883311147 0.41837069140214 0.74398935991940 28.085 34 Si 0.44041116688853 0.91837069140214 0.75601064008060 28.085 35 Si 0.44041116688853 0.58162930859786 0.25601064008059 28.085 36 Si 0.55958883311147 0.08162930859786 0.24398935991941 28.085 *37 Si 0.05394506802598 0.20074760114657 0.93798539552579 28.085 38 Si 0.94605493197402 0.70074760114657 0.56201460447421 28.085 39 Si 0.94605493197402 0.79925239885343 0.06201460447421 28.085 40 Si 0.05394506802598 0.29925239885343 0.43798539552579 28.085 *41 Ga 0.57268239186966 0.69003661545636 0.55319391744247 69.723 42 Ga 0.42731760813033 0.19003661545636 0.94680608255753 69.723 43 Ga 0.42731760813033 0.30996338454364 0.44680608255753 69.723 44 Ga 0.57268239186966 0.80996338454364 0.05319391744247 69.723 *45 Ga 0.06935230153603 0.92509887921111 0.77185545539049 69.723 46 Ga 0.93064769846397 0.42509887921111 0.72814454460951 69.723 47 Ga 0.93064769846397 0.07490112078890 0.22814454460951 69.723 48 Ga 0.06935230153603 0.57490112078889 0.27185545539049 69.723 *49 Sr 0.25157230192453 0.91384455294443 0.38794685998171 87.620 50 Sr 0.74842769807547 0.41384455294443 0.11205314001829 87.620 51 Sr 0.74842769807547 0.08615544705557 0.61205314001829 87.620 52 Sr 0.25157230192453 0.58615544705557 0.88794685998171 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.401235121449472 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): *1 O 0.73713081670083 0.42617360098884 0.82196709461029 15.999 > 1 2 O 0.26286918329918 0.92617360098884 0.67803290538971 15.999 > 2 3 O 0.26286918329918 0.57382639901116 0.17803290538971 15.999 > 3 4 O 0.73713081670083 0.07382639901116 0.32196709461029 15.999 > 4 *5 O 0.77404744036123 0.64171026349946 0.50676192387349 15.999 > 5 6 O 0.22595255963877 0.14171026349946 0.99323807612651 15.999 > 6 7 O 0.22595255963877 0.35828973650055 0.49323807612651 15.999 > 7 8 O 0.77404744036123 0.85828973650054 0.00676192387349 15.999 > 8 *9 O 0.43491252423336 0.69406999689601 0.39266186195116 15.999 > 9 10 O 0.56508747576664 0.19406999689601 0.10733813804884 15.999 > 10 11 O 0.56508747576664 0.30593000310399 0.60733813804884 15.999 > 11 12 O 0.43491252423336 0.80593000310399 0.89266186195116 15.999 > 12 *13 O 0.07458371732791 0.69807523443201 0.42649436528147 15.999 > 13 14 O 0.92541628267209 0.19807523443201 0.07350563471853 15.999 > 14 15 O 0.92541628267209 0.30192476556799 0.57350563471853 15.999 > 15 16 O 0.07458371732791 0.80192476556799 0.92649436528147 15.999 > 16 *17 O 0.56068876342575 0.87218765516432 0.62224116059587 15.999 > 17 18 O 0.43931123657425 0.37218765516432 0.87775883940413 15.999 > 18 19 O 0.43931123657425 0.12781234483568 0.37775883940413 15.999 > 19 20 O 0.56068876342575 0.62781234483568 0.12224116059587 15.999 > 20 *21 O 0.01780150818057 0.90172290673472 0.19466234374315 15.999 > 21 22 O 0.98219849181943 0.40172290673472 0.30533765625685 15.999 > 22 23 O 0.98219849181943 0.09827709326528 0.80533765625685 15.999 > 23 24 O 0.01780150818057 0.59827709326528 0.69466234374315 15.999 > 24 *25 O 0.48654638004681 0.93046855076271 0.19072553559606 15.999 > 25 26 O 0.51345361995319 0.43046855076271 0.30927446440394 15.999 > 26 27 O 0.51345361995319 0.06953144923729 0.80927446440394 15.999 > 27 28 O 0.48654638004681 0.56953144923729 0.69072553559606 15.999 > 28 *29 O 0.93628481894680 0.63537651761789 0.11945857390961 15.999 > 29 30 O 0.06371518105320 0.13537651761789 0.38054142609039 15.999 > 30 31 O 0.06371518105320 0.36462348238211 0.88054142609039 15.999 > 31 32 O 0.93628481894680 0.86462348238211 0.61945857390961 15.999 > 32 *33 Si 0.55958883311147 0.41837069140214 0.74398935991940 28.085 > 33 34 Si 0.44041116688853 0.91837069140214 0.75601064008060 28.085 > 34 35 Si 0.44041116688853 0.58162930859786 0.25601064008059 28.085 > 35 36 Si 0.55958883311147 0.08162930859786 0.24398935991941 28.085 > 36 *37 Si 0.05394506802598 0.20074760114657 0.93798539552579 28.085 > 37 38 Si 0.94605493197402 0.70074760114657 0.56201460447421 28.085 > 38 39 Si 0.94605493197402 0.79925239885343 0.06201460447421 28.085 > 39 40 Si 0.05394506802598 0.29925239885343 0.43798539552579 28.085 > 40 *41 Ga 0.57268239186966 0.69003661545636 0.55319391744247 69.723 > 41 42 Ga 0.42731760813033 0.19003661545636 0.94680608255753 69.723 > 42 43 Ga 0.42731760813033 0.30996338454364 0.44680608255753 69.723 > 43 44 Ga 0.57268239186966 0.80996338454364 0.05319391744247 69.723 > 44 *45 Ga 0.06935230153603 0.92509887921111 0.77185545539049 69.723 > 45 46 Ga 0.93064769846397 0.42509887921111 0.72814454460951 69.723 > 46 47 Ga 0.93064769846397 0.07490112078890 0.22814454460951 69.723 > 47 48 Ga 0.06935230153603 0.57490112078889 0.27185545539049 69.723 > 48 *49 Sr 0.25157230192453 0.91384455294443 0.38794685998171 87.620 > 49 50 Sr 0.74842769807547 0.41384455294443 0.11205314001829 87.620 > 50 51 Sr 0.74842769807547 0.08615544705557 0.61205314001829 87.620 > 51 52 Sr 0.25157230192453 0.58615544705557 0.88794685998171 87.620 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.802470242898945 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): *1 O 0.36856540835041 0.42617360098884 0.82196709461029 15.999 > 1 2 O 0.86856540835041 0.42617360098884 0.82196709461029 15.999 > 1 3 O 0.13143459164959 0.92617360098884 0.67803290538971 15.999 > 2 4 O 0.63143459164959 0.92617360098884 0.67803290538971 15.999 > 2 5 O 0.13143459164959 0.57382639901116 0.17803290538971 15.999 > 3 6 O 0.63143459164959 0.57382639901116 0.17803290538971 15.999 > 3 7 O 0.36856540835041 0.07382639901116 0.32196709461029 15.999 > 4 8 O 0.86856540835041 0.07382639901116 0.32196709461029 15.999 > 4 *9 O 0.38702372018061 0.64171026349946 0.50676192387349 15.999 > 5 10 O 0.88702372018062 0.64171026349946 0.50676192387349 15.999 > 5 11 O 0.11297627981939 0.14171026349946 0.99323807612651 15.999 > 6 12 O 0.61297627981938 0.14171026349946 0.99323807612651 15.999 > 6 13 O 0.11297627981939 0.35828973650055 0.49323807612651 15.999 > 7 14 O 0.61297627981938 0.35828973650055 0.49323807612651 15.999 > 7 15 O 0.38702372018061 0.85828973650054 0.00676192387349 15.999 > 8 16 O 0.88702372018062 0.85828973650054 0.00676192387349 15.999 > 8 *17 O 0.21745626211668 0.69406999689601 0.39266186195116 15.999 > 9 18 O 0.71745626211668 0.69406999689601 0.39266186195116 15.999 > 9 19 O 0.28254373788332 0.19406999689601 0.10733813804884 15.999 > 10 20 O 0.78254373788332 0.19406999689601 0.10733813804884 15.999 > 10 21 O 0.28254373788332 0.30593000310399 0.60733813804884 15.999 > 11 22 O 0.78254373788332 0.30593000310399 0.60733813804884 15.999 > 11 23 O 0.21745626211668 0.80593000310399 0.89266186195116 15.999 > 12 24 O 0.71745626211668 0.80593000310399 0.89266186195116 15.999 > 12 *25 O 0.03729185866396 0.69807523443201 0.42649436528147 15.999 > 13 26 O 0.53729185866396 0.69807523443201 0.42649436528147 15.999 > 13 27 O 0.46270814133604 0.19807523443201 0.07350563471853 15.999 > 14 28 O 0.96270814133604 0.19807523443201 0.07350563471853 15.999 > 14 29 O 0.46270814133604 0.30192476556799 0.57350563471853 15.999 > 15 30 O 0.96270814133604 0.30192476556799 0.57350563471853 15.999 > 15 31 O 0.03729185866396 0.80192476556799 0.92649436528147 15.999 > 16 32 O 0.53729185866396 0.80192476556799 0.92649436528147 15.999 > 16 *33 O 0.28034438171287 0.87218765516432 0.62224116059587 15.999 > 17 34 O 0.78034438171287 0.87218765516432 0.62224116059587 15.999 > 17 35 O 0.21965561828713 0.37218765516432 0.87775883940413 15.999 > 18 36 O 0.71965561828713 0.37218765516432 0.87775883940413 15.999 > 18 37 O 0.21965561828713 0.12781234483568 0.37775883940413 15.999 > 19 38 O 0.71965561828713 0.12781234483568 0.37775883940413 15.999 > 19 39 O 0.28034438171287 0.62781234483568 0.12224116059587 15.999 > 20 40 O 0.78034438171287 0.62781234483568 0.12224116059587 15.999 > 20 *41 O 0.00890075409028 0.90172290673472 0.19466234374315 15.999 > 21 42 O 0.50890075409028 0.90172290673472 0.19466234374315 15.999 > 21 43 O 0.49109924590972 0.40172290673472 0.30533765625685 15.999 > 22 44 O 0.99109924590972 0.40172290673472 0.30533765625685 15.999 > 22 45 O 0.49109924590972 0.09827709326528 0.80533765625685 15.999 > 23 46 O 0.99109924590972 0.09827709326528 0.80533765625685 15.999 > 23 47 O 0.00890075409028 0.59827709326528 0.69466234374315 15.999 > 24 48 O 0.50890075409028 0.59827709326528 0.69466234374315 15.999 > 24 *49 O 0.24327319002340 0.93046855076271 0.19072553559606 15.999 > 25 50 O 0.74327319002340 0.93046855076271 0.19072553559606 15.999 > 25 51 O 0.25672680997660 0.43046855076271 0.30927446440394 15.999 > 26 52 O 0.75672680997660 0.43046855076271 0.30927446440394 15.999 > 26 53 O 0.25672680997660 0.06953144923729 0.80927446440394 15.999 > 27 54 O 0.75672680997660 0.06953144923729 0.80927446440394 15.999 > 27 55 O 0.24327319002340 0.56953144923729 0.69072553559606 15.999 > 28 56 O 0.74327319002340 0.56953144923729 0.69072553559606 15.999 > 28 *57 O 0.46814240947340 0.63537651761789 0.11945857390961 15.999 > 29 58 O 0.96814240947340 0.63537651761789 0.11945857390961 15.999 > 29 59 O 0.03185759052660 0.13537651761789 0.38054142609039 15.999 > 30 60 O 0.53185759052660 0.13537651761789 0.38054142609039 15.999 > 30 61 O 0.03185759052660 0.36462348238211 0.88054142609039 15.999 > 31 62 O 0.53185759052660 0.36462348238211 0.88054142609039 15.999 > 31 63 O 0.46814240947340 0.86462348238211 0.61945857390961 15.999 > 32 64 O 0.96814240947340 0.86462348238211 0.61945857390961 15.999 > 32 *65 Si 0.27979441655574 0.41837069140214 0.74398935991940 28.085 > 33 66 Si 0.77979441655574 0.41837069140214 0.74398935991940 28.085 > 33 67 Si 0.22020558344426 0.91837069140214 0.75601064008060 28.085 > 34 68 Si 0.72020558344426 0.91837069140214 0.75601064008060 28.085 > 34 69 Si 0.22020558344426 0.58162930859786 0.25601064008059 28.085 > 35 70 Si 0.72020558344426 0.58162930859786 0.25601064008059 28.085 > 35 71 Si 0.27979441655574 0.08162930859786 0.24398935991941 28.085 > 36 72 Si 0.77979441655574 0.08162930859786 0.24398935991941 28.085 > 36 *73 Si 0.02697253401299 0.20074760114657 0.93798539552579 28.085 > 37 74 Si 0.52697253401299 0.20074760114657 0.93798539552579 28.085 > 37 75 Si 0.47302746598701 0.70074760114657 0.56201460447421 28.085 > 38 76 Si 0.97302746598701 0.70074760114657 0.56201460447421 28.085 > 38 77 Si 0.47302746598701 0.79925239885343 0.06201460447421 28.085 > 39 78 Si 0.97302746598701 0.79925239885343 0.06201460447421 28.085 > 39 79 Si 0.02697253401299 0.29925239885343 0.43798539552579 28.085 > 40 80 Si 0.52697253401299 0.29925239885343 0.43798539552579 28.085 > 40 *81 Ga 0.28634119593483 0.69003661545636 0.55319391744247 69.723 > 41 82 Ga 0.78634119593483 0.69003661545636 0.55319391744247 69.723 > 41 83 Ga 0.21365880406517 0.19003661545636 0.94680608255753 69.723 > 42 84 Ga 0.71365880406517 0.19003661545636 0.94680608255753 69.723 > 42 85 Ga 0.21365880406517 0.30996338454364 0.44680608255753 69.723 > 43 86 Ga 0.71365880406517 0.30996338454364 0.44680608255753 69.723 > 43 87 Ga 0.28634119593483 0.80996338454364 0.05319391744247 69.723 > 44 88 Ga 0.78634119593483 0.80996338454364 0.05319391744247 69.723 > 44 *89 Ga 0.03467615076802 0.92509887921111 0.77185545539049 69.723 > 45 90 Ga 0.53467615076802 0.92509887921111 0.77185545539049 69.723 > 45 91 Ga 0.46532384923198 0.42509887921111 0.72814454460951 69.723 > 46 92 Ga 0.96532384923198 0.42509887921111 0.72814454460951 69.723 > 46 93 Ga 0.46532384923198 0.07490112078890 0.22814454460951 69.723 > 47 94 Ga 0.96532384923198 0.07490112078890 0.22814454460951 69.723 > 47 95 Ga 0.03467615076802 0.57490112078889 0.27185545539049 69.723 > 48 96 Ga 0.53467615076802 0.57490112078889 0.27185545539049 69.723 > 48 *97 Sr 0.12578615096226 0.91384455294443 0.38794685998171 87.620 > 49 98 Sr 0.62578615096226 0.91384455294443 0.38794685998171 87.620 > 49 99 Sr 0.37421384903774 0.41384455294443 0.11205314001829 87.620 > 50 100 Sr 0.87421384903774 0.41384455294443 0.11205314001829 87.620 > 50 101 Sr 0.37421384903774 0.08615544705557 0.61205314001829 87.620 > 51 102 Sr 0.87421384903774 0.08615544705557 0.61205314001829 87.620 > 51 103 Sr 0.12578615096226 0.58615544705557 0.88794685998171 87.620 > 52 104 Sr 0.62578615096226 0.58615544705557 0.88794685998171 87.620 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8485576 0.0000000 -0.0137659 0.0000000 2.8758923 0.0000000 -0.0137709 0.0000000 2.8135623 -------------------------- Born effective charges -------------------------- 1 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 2 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 3 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 4 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 5 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 6 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 7 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 8 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 9 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 10 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 11 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 12 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 13 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 14 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 15 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 16 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 17 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 18 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 19 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 20 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 21 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 22 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 23 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 24 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 25 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 26 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 27 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 28 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 29 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 30 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 31 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 32 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 33 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 34 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 35 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 36 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 37 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 38 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 39 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 40 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 41 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 42 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 43 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 44 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 45 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 46 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 47 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 48 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 49 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 50 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 51 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 52 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.536 Solver_block: 200 / 1600 - Time: 1.320 Solver_block: 300 / 1600 - Time: 1.323 Solver_block: 400 / 1600 - Time: 1.319 Solver_block: 500 / 1600 - Time: 1.313 Solver_block: 600 / 1600 - Time: 1.326 Solver_block: 700 / 1600 - Time: 1.315 Solver_block: 800 / 1600 - Time: 1.313 Solver_block: 900 / 1600 - Time: 1.321 Solver_block: 1000 / 1600 - Time: 1.322 Solver_block: 1100 / 1600 - Time: 1.319 Solver_block: 1200 / 1600 - Time: 1.324 Solver_block: 1300 / 1600 - Time: 1.323 Solver_block: 1400 / 1600 - Time: 1.324 Solver_block: 1500 / 1600 - Time: 1.330 Solver_block: 1600 / 1600 - Time: 1.320 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.945 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:27:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:27:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.401235121449472 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): 1 O 0.73713081670083 0.42617360098884 0.82196709461029 15.999 2 O 0.26286918329918 0.92617360098884 0.67803290538971 15.999 3 O 0.26286918329918 0.57382639901116 0.17803290538971 15.999 4 O 0.73713081670083 0.07382639901116 0.32196709461029 15.999 5 O 0.77404744036123 0.64171026349946 0.50676192387349 15.999 6 O 0.22595255963877 0.14171026349946 0.99323807612651 15.999 7 O 0.22595255963877 0.35828973650055 0.49323807612651 15.999 8 O 0.77404744036123 0.85828973650054 0.00676192387349 15.999 9 O 0.43491252423336 0.69406999689601 0.39266186195116 15.999 10 O 0.56508747576664 0.19406999689601 0.10733813804884 15.999 11 O 0.56508747576664 0.30593000310399 0.60733813804884 15.999 12 O 0.43491252423336 0.80593000310399 0.89266186195116 15.999 13 O 0.07458371732791 0.69807523443201 0.42649436528147 15.999 14 O 0.92541628267209 0.19807523443201 0.07350563471853 15.999 15 O 0.92541628267209 0.30192476556799 0.57350563471853 15.999 16 O 0.07458371732791 0.80192476556799 0.92649436528147 15.999 17 O 0.56068876342575 0.87218765516432 0.62224116059587 15.999 18 O 0.43931123657425 0.37218765516432 0.87775883940413 15.999 19 O 0.43931123657425 0.12781234483568 0.37775883940413 15.999 20 O 0.56068876342575 0.62781234483568 0.12224116059587 15.999 21 O 0.01780150818057 0.90172290673472 0.19466234374315 15.999 22 O 0.98219849181943 0.40172290673472 0.30533765625685 15.999 23 O 0.98219849181943 0.09827709326528 0.80533765625685 15.999 24 O 0.01780150818057 0.59827709326528 0.69466234374315 15.999 25 O 0.48654638004681 0.93046855076271 0.19072553559606 15.999 26 O 0.51345361995319 0.43046855076271 0.30927446440394 15.999 27 O 0.51345361995319 0.06953144923729 0.80927446440394 15.999 28 O 0.48654638004681 0.56953144923729 0.69072553559606 15.999 29 O 0.93628481894680 0.63537651761789 0.11945857390961 15.999 30 O 0.06371518105320 0.13537651761789 0.38054142609039 15.999 31 O 0.06371518105320 0.36462348238211 0.88054142609039 15.999 32 O 0.93628481894680 0.86462348238211 0.61945857390961 15.999 33 Si 0.55958883311147 0.41837069140214 0.74398935991940 28.085 34 Si 0.44041116688853 0.91837069140214 0.75601064008060 28.085 35 Si 0.44041116688853 0.58162930859786 0.25601064008059 28.085 36 Si 0.55958883311147 0.08162930859786 0.24398935991941 28.085 37 Si 0.05394506802598 0.20074760114657 0.93798539552579 28.085 38 Si 0.94605493197402 0.70074760114657 0.56201460447421 28.085 39 Si 0.94605493197402 0.79925239885343 0.06201460447421 28.085 40 Si 0.05394506802598 0.29925239885343 0.43798539552579 28.085 41 Ga 0.57268239186966 0.69003661545636 0.55319391744247 69.723 42 Ga 0.42731760813033 0.19003661545636 0.94680608255753 69.723 43 Ga 0.42731760813033 0.30996338454364 0.44680608255753 69.723 44 Ga 0.57268239186966 0.80996338454364 0.05319391744247 69.723 45 Ga 0.06935230153603 0.92509887921111 0.77185545539049 69.723 46 Ga 0.93064769846397 0.42509887921111 0.72814454460951 69.723 47 Ga 0.93064769846397 0.07490112078890 0.22814454460951 69.723 48 Ga 0.06935230153603 0.57490112078889 0.27185545539049 69.723 49 Sr 0.25157230192453 0.91384455294443 0.38794685998171 87.620 50 Sr 0.74842769807547 0.41384455294443 0.11205314001829 87.620 51 Sr 0.74842769807547 0.08615544705557 0.61205314001829 87.620 52 Sr 0.25157230192453 0.58615544705557 0.88794685998171 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.802470242898945 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): 1 O 0.36856540835041 0.42617360098884 0.82196709461029 15.999 > 1 2 O 0.86856540835041 0.42617360098884 0.82196709461029 15.999 > 1 3 O 0.13143459164959 0.92617360098884 0.67803290538971 15.999 > 3 4 O 0.63143459164959 0.92617360098884 0.67803290538971 15.999 > 3 5 O 0.13143459164959 0.57382639901116 0.17803290538971 15.999 > 5 6 O 0.63143459164959 0.57382639901116 0.17803290538971 15.999 > 5 7 O 0.36856540835041 0.07382639901116 0.32196709461029 15.999 > 7 8 O 0.86856540835041 0.07382639901116 0.32196709461029 15.999 > 7 9 O 0.38702372018061 0.64171026349946 0.50676192387349 15.999 > 9 10 O 0.88702372018062 0.64171026349946 0.50676192387349 15.999 > 9 11 O 0.11297627981939 0.14171026349946 0.99323807612651 15.999 > 11 12 O 0.61297627981938 0.14171026349946 0.99323807612651 15.999 > 11 13 O 0.11297627981939 0.35828973650055 0.49323807612651 15.999 > 13 14 O 0.61297627981938 0.35828973650055 0.49323807612651 15.999 > 13 15 O 0.38702372018061 0.85828973650054 0.00676192387349 15.999 > 15 16 O 0.88702372018062 0.85828973650054 0.00676192387349 15.999 > 15 17 O 0.21745626211668 0.69406999689601 0.39266186195116 15.999 > 17 18 O 0.71745626211668 0.69406999689601 0.39266186195116 15.999 > 17 19 O 0.28254373788332 0.19406999689601 0.10733813804884 15.999 > 19 20 O 0.78254373788332 0.19406999689601 0.10733813804884 15.999 > 19 21 O 0.28254373788332 0.30593000310399 0.60733813804884 15.999 > 21 22 O 0.78254373788332 0.30593000310399 0.60733813804884 15.999 > 21 23 O 0.21745626211668 0.80593000310399 0.89266186195116 15.999 > 23 24 O 0.71745626211668 0.80593000310399 0.89266186195116 15.999 > 23 25 O 0.03729185866396 0.69807523443201 0.42649436528147 15.999 > 25 26 O 0.53729185866396 0.69807523443201 0.42649436528147 15.999 > 25 27 O 0.46270814133604 0.19807523443201 0.07350563471853 15.999 > 27 28 O 0.96270814133604 0.19807523443201 0.07350563471853 15.999 > 27 29 O 0.46270814133604 0.30192476556799 0.57350563471853 15.999 > 29 30 O 0.96270814133604 0.30192476556799 0.57350563471853 15.999 > 29 31 O 0.03729185866396 0.80192476556799 0.92649436528147 15.999 > 31 32 O 0.53729185866396 0.80192476556799 0.92649436528147 15.999 > 31 33 O 0.28034438171287 0.87218765516432 0.62224116059587 15.999 > 33 34 O 0.78034438171287 0.87218765516432 0.62224116059587 15.999 > 33 35 O 0.21965561828713 0.37218765516432 0.87775883940413 15.999 > 35 36 O 0.71965561828713 0.37218765516432 0.87775883940413 15.999 > 35 37 O 0.21965561828713 0.12781234483568 0.37775883940413 15.999 > 37 38 O 0.71965561828713 0.12781234483568 0.37775883940413 15.999 > 37 39 O 0.28034438171287 0.62781234483568 0.12224116059587 15.999 > 39 40 O 0.78034438171287 0.62781234483568 0.12224116059587 15.999 > 39 41 O 0.00890075409028 0.90172290673472 0.19466234374315 15.999 > 41 42 O 0.50890075409028 0.90172290673472 0.19466234374315 15.999 > 41 43 O 0.49109924590972 0.40172290673472 0.30533765625685 15.999 > 43 44 O 0.99109924590972 0.40172290673472 0.30533765625685 15.999 > 43 45 O 0.49109924590972 0.09827709326528 0.80533765625685 15.999 > 45 46 O 0.99109924590972 0.09827709326528 0.80533765625685 15.999 > 45 47 O 0.00890075409028 0.59827709326528 0.69466234374315 15.999 > 47 48 O 0.50890075409028 0.59827709326528 0.69466234374315 15.999 > 47 49 O 0.24327319002340 0.93046855076271 0.19072553559606 15.999 > 49 50 O 0.74327319002340 0.93046855076271 0.19072553559606 15.999 > 49 51 O 0.25672680997660 0.43046855076271 0.30927446440394 15.999 > 51 52 O 0.75672680997660 0.43046855076271 0.30927446440394 15.999 > 51 53 O 0.25672680997660 0.06953144923729 0.80927446440394 15.999 > 53 54 O 0.75672680997660 0.06953144923729 0.80927446440394 15.999 > 53 55 O 0.24327319002340 0.56953144923729 0.69072553559606 15.999 > 55 56 O 0.74327319002340 0.56953144923729 0.69072553559606 15.999 > 55 57 O 0.46814240947340 0.63537651761789 0.11945857390961 15.999 > 57 58 O 0.96814240947340 0.63537651761789 0.11945857390961 15.999 > 57 59 O 0.03185759052660 0.13537651761789 0.38054142609039 15.999 > 59 60 O 0.53185759052660 0.13537651761789 0.38054142609039 15.999 > 59 61 O 0.03185759052660 0.36462348238211 0.88054142609039 15.999 > 61 62 O 0.53185759052660 0.36462348238211 0.88054142609039 15.999 > 61 63 O 0.46814240947340 0.86462348238211 0.61945857390961 15.999 > 63 64 O 0.96814240947340 0.86462348238211 0.61945857390961 15.999 > 63 65 Si 0.27979441655574 0.41837069140214 0.74398935991940 28.085 > 65 66 Si 0.77979441655574 0.41837069140214 0.74398935991940 28.085 > 65 67 Si 0.22020558344426 0.91837069140214 0.75601064008060 28.085 > 67 68 Si 0.72020558344426 0.91837069140214 0.75601064008060 28.085 > 67 69 Si 0.22020558344426 0.58162930859786 0.25601064008059 28.085 > 69 70 Si 0.72020558344426 0.58162930859786 0.25601064008059 28.085 > 69 71 Si 0.27979441655574 0.08162930859786 0.24398935991941 28.085 > 71 72 Si 0.77979441655574 0.08162930859786 0.24398935991941 28.085 > 71 73 Si 0.02697253401299 0.20074760114657 0.93798539552579 28.085 > 73 74 Si 0.52697253401299 0.20074760114657 0.93798539552579 28.085 > 73 75 Si 0.47302746598701 0.70074760114657 0.56201460447421 28.085 > 75 76 Si 0.97302746598701 0.70074760114657 0.56201460447421 28.085 > 75 77 Si 0.47302746598701 0.79925239885343 0.06201460447421 28.085 > 77 78 Si 0.97302746598701 0.79925239885343 0.06201460447421 28.085 > 77 79 Si 0.02697253401299 0.29925239885343 0.43798539552579 28.085 > 79 80 Si 0.52697253401299 0.29925239885343 0.43798539552579 28.085 > 79 81 Ga 0.28634119593483 0.69003661545636 0.55319391744247 69.723 > 81 82 Ga 0.78634119593483 0.69003661545636 0.55319391744247 69.723 > 81 83 Ga 0.21365880406517 0.19003661545636 0.94680608255753 69.723 > 83 84 Ga 0.71365880406517 0.19003661545636 0.94680608255753 69.723 > 83 85 Ga 0.21365880406517 0.30996338454364 0.44680608255753 69.723 > 85 86 Ga 0.71365880406517 0.30996338454364 0.44680608255753 69.723 > 85 87 Ga 0.28634119593483 0.80996338454364 0.05319391744247 69.723 > 87 88 Ga 0.78634119593483 0.80996338454364 0.05319391744247 69.723 > 87 89 Ga 0.03467615076802 0.92509887921111 0.77185545539049 69.723 > 89 90 Ga 0.53467615076802 0.92509887921111 0.77185545539049 69.723 > 89 91 Ga 0.46532384923198 0.42509887921111 0.72814454460951 69.723 > 91 92 Ga 0.96532384923198 0.42509887921111 0.72814454460951 69.723 > 91 93 Ga 0.46532384923198 0.07490112078890 0.22814454460951 69.723 > 93 94 Ga 0.96532384923198 0.07490112078890 0.22814454460951 69.723 > 93 95 Ga 0.03467615076802 0.57490112078889 0.27185545539049 69.723 > 95 96 Ga 0.53467615076802 0.57490112078889 0.27185545539049 69.723 > 95 97 Sr 0.12578615096226 0.91384455294443 0.38794685998171 87.620 > 97 98 Sr 0.62578615096226 0.91384455294443 0.38794685998171 87.620 > 97 99 Sr 0.37421384903774 0.41384455294443 0.11205314001829 87.620 > 99 100 Sr 0.87421384903774 0.41384455294443 0.11205314001829 87.620 > 99 101 Sr 0.37421384903774 0.08615544705557 0.61205314001829 87.620 > 101 102 Sr 0.87421384903774 0.08615544705557 0.61205314001829 87.620 > 101 103 Sr 0.12578615096226 0.58615544705557 0.88794685998171 87.620 > 103 104 Sr 0.62578615096226 0.58615544705557 0.88794685998171 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8485576 0.0000000 -0.0137659 0.0000000 2.8758923 0.0000000 -0.0137709 0.0000000 2.8135623 -------------------------- Born effective charges -------------------------- 1 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 2 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 3 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 4 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 5 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 6 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 7 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 8 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 9 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 10 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 11 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 12 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 13 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 14 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 15 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 16 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 17 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 18 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 19 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 20 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 21 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 22 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 23 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 24 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 25 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 26 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 27 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 28 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 29 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 30 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 31 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 32 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 33 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 34 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 35 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 36 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 37 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 38 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 39 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 40 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 41 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 42 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 43 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 44 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 45 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 46 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 47 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 48 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 49 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 50 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 51 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 52 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:28:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:28:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.401235121449472 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): 1 O 0.73713081670083 0.42617360098884 0.82196709461029 15.999 2 O 0.26286918329918 0.92617360098884 0.67803290538971 15.999 3 O 0.26286918329918 0.57382639901116 0.17803290538971 15.999 4 O 0.73713081670083 0.07382639901116 0.32196709461029 15.999 5 O 0.77404744036123 0.64171026349946 0.50676192387349 15.999 6 O 0.22595255963877 0.14171026349946 0.99323807612651 15.999 7 O 0.22595255963877 0.35828973650055 0.49323807612651 15.999 8 O 0.77404744036123 0.85828973650054 0.00676192387349 15.999 9 O 0.43491252423336 0.69406999689601 0.39266186195116 15.999 10 O 0.56508747576664 0.19406999689601 0.10733813804884 15.999 11 O 0.56508747576664 0.30593000310399 0.60733813804884 15.999 12 O 0.43491252423336 0.80593000310399 0.89266186195116 15.999 13 O 0.07458371732791 0.69807523443201 0.42649436528147 15.999 14 O 0.92541628267209 0.19807523443201 0.07350563471853 15.999 15 O 0.92541628267209 0.30192476556799 0.57350563471853 15.999 16 O 0.07458371732791 0.80192476556799 0.92649436528147 15.999 17 O 0.56068876342575 0.87218765516432 0.62224116059587 15.999 18 O 0.43931123657425 0.37218765516432 0.87775883940413 15.999 19 O 0.43931123657425 0.12781234483568 0.37775883940413 15.999 20 O 0.56068876342575 0.62781234483568 0.12224116059587 15.999 21 O 0.01780150818057 0.90172290673472 0.19466234374315 15.999 22 O 0.98219849181943 0.40172290673472 0.30533765625685 15.999 23 O 0.98219849181943 0.09827709326528 0.80533765625685 15.999 24 O 0.01780150818057 0.59827709326528 0.69466234374315 15.999 25 O 0.48654638004681 0.93046855076271 0.19072553559606 15.999 26 O 0.51345361995319 0.43046855076271 0.30927446440394 15.999 27 O 0.51345361995319 0.06953144923729 0.80927446440394 15.999 28 O 0.48654638004681 0.56953144923729 0.69072553559606 15.999 29 O 0.93628481894680 0.63537651761789 0.11945857390961 15.999 30 O 0.06371518105320 0.13537651761789 0.38054142609039 15.999 31 O 0.06371518105320 0.36462348238211 0.88054142609039 15.999 32 O 0.93628481894680 0.86462348238211 0.61945857390961 15.999 33 Si 0.55958883311147 0.41837069140214 0.74398935991940 28.085 34 Si 0.44041116688853 0.91837069140214 0.75601064008060 28.085 35 Si 0.44041116688853 0.58162930859786 0.25601064008059 28.085 36 Si 0.55958883311147 0.08162930859786 0.24398935991941 28.085 37 Si 0.05394506802598 0.20074760114657 0.93798539552579 28.085 38 Si 0.94605493197402 0.70074760114657 0.56201460447421 28.085 39 Si 0.94605493197402 0.79925239885343 0.06201460447421 28.085 40 Si 0.05394506802598 0.29925239885343 0.43798539552579 28.085 41 Ga 0.57268239186966 0.69003661545636 0.55319391744247 69.723 42 Ga 0.42731760813033 0.19003661545636 0.94680608255753 69.723 43 Ga 0.42731760813033 0.30996338454364 0.44680608255753 69.723 44 Ga 0.57268239186966 0.80996338454364 0.05319391744247 69.723 45 Ga 0.06935230153603 0.92509887921111 0.77185545539049 69.723 46 Ga 0.93064769846397 0.42509887921111 0.72814454460951 69.723 47 Ga 0.93064769846397 0.07490112078890 0.22814454460951 69.723 48 Ga 0.06935230153603 0.57490112078889 0.27185545539049 69.723 49 Sr 0.25157230192453 0.91384455294443 0.38794685998171 87.620 50 Sr 0.74842769807547 0.41384455294443 0.11205314001829 87.620 51 Sr 0.74842769807547 0.08615544705557 0.61205314001829 87.620 52 Sr 0.25157230192453 0.58615544705557 0.88794685998171 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.802470242898945 0.000000000000000 0.000000000000000 b 0.000000000000000 9.509767460000001 0.000000000000000 c -0.113525624247160 0.000000000000000 9.019014580389896 Atomic positions (fractional): 1 O 0.36856540835041 0.42617360098884 0.82196709461029 15.999 > 1 2 O 0.86856540835041 0.42617360098884 0.82196709461029 15.999 > 1 3 O 0.13143459164959 0.92617360098884 0.67803290538971 15.999 > 3 4 O 0.63143459164959 0.92617360098884 0.67803290538971 15.999 > 3 5 O 0.13143459164959 0.57382639901116 0.17803290538971 15.999 > 5 6 O 0.63143459164959 0.57382639901116 0.17803290538971 15.999 > 5 7 O 0.36856540835041 0.07382639901116 0.32196709461029 15.999 > 7 8 O 0.86856540835041 0.07382639901116 0.32196709461029 15.999 > 7 9 O 0.38702372018061 0.64171026349946 0.50676192387349 15.999 > 9 10 O 0.88702372018062 0.64171026349946 0.50676192387349 15.999 > 9 11 O 0.11297627981939 0.14171026349946 0.99323807612651 15.999 > 11 12 O 0.61297627981938 0.14171026349946 0.99323807612651 15.999 > 11 13 O 0.11297627981939 0.35828973650055 0.49323807612651 15.999 > 13 14 O 0.61297627981938 0.35828973650055 0.49323807612651 15.999 > 13 15 O 0.38702372018061 0.85828973650054 0.00676192387349 15.999 > 15 16 O 0.88702372018062 0.85828973650054 0.00676192387349 15.999 > 15 17 O 0.21745626211668 0.69406999689601 0.39266186195116 15.999 > 17 18 O 0.71745626211668 0.69406999689601 0.39266186195116 15.999 > 17 19 O 0.28254373788332 0.19406999689601 0.10733813804884 15.999 > 19 20 O 0.78254373788332 0.19406999689601 0.10733813804884 15.999 > 19 21 O 0.28254373788332 0.30593000310399 0.60733813804884 15.999 > 21 22 O 0.78254373788332 0.30593000310399 0.60733813804884 15.999 > 21 23 O 0.21745626211668 0.80593000310399 0.89266186195116 15.999 > 23 24 O 0.71745626211668 0.80593000310399 0.89266186195116 15.999 > 23 25 O 0.03729185866396 0.69807523443201 0.42649436528147 15.999 > 25 26 O 0.53729185866396 0.69807523443201 0.42649436528147 15.999 > 25 27 O 0.46270814133604 0.19807523443201 0.07350563471853 15.999 > 27 28 O 0.96270814133604 0.19807523443201 0.07350563471853 15.999 > 27 29 O 0.46270814133604 0.30192476556799 0.57350563471853 15.999 > 29 30 O 0.96270814133604 0.30192476556799 0.57350563471853 15.999 > 29 31 O 0.03729185866396 0.80192476556799 0.92649436528147 15.999 > 31 32 O 0.53729185866396 0.80192476556799 0.92649436528147 15.999 > 31 33 O 0.28034438171287 0.87218765516432 0.62224116059587 15.999 > 33 34 O 0.78034438171287 0.87218765516432 0.62224116059587 15.999 > 33 35 O 0.21965561828713 0.37218765516432 0.87775883940413 15.999 > 35 36 O 0.71965561828713 0.37218765516432 0.87775883940413 15.999 > 35 37 O 0.21965561828713 0.12781234483568 0.37775883940413 15.999 > 37 38 O 0.71965561828713 0.12781234483568 0.37775883940413 15.999 > 37 39 O 0.28034438171287 0.62781234483568 0.12224116059587 15.999 > 39 40 O 0.78034438171287 0.62781234483568 0.12224116059587 15.999 > 39 41 O 0.00890075409028 0.90172290673472 0.19466234374315 15.999 > 41 42 O 0.50890075409028 0.90172290673472 0.19466234374315 15.999 > 41 43 O 0.49109924590972 0.40172290673472 0.30533765625685 15.999 > 43 44 O 0.99109924590972 0.40172290673472 0.30533765625685 15.999 > 43 45 O 0.49109924590972 0.09827709326528 0.80533765625685 15.999 > 45 46 O 0.99109924590972 0.09827709326528 0.80533765625685 15.999 > 45 47 O 0.00890075409028 0.59827709326528 0.69466234374315 15.999 > 47 48 O 0.50890075409028 0.59827709326528 0.69466234374315 15.999 > 47 49 O 0.24327319002340 0.93046855076271 0.19072553559606 15.999 > 49 50 O 0.74327319002340 0.93046855076271 0.19072553559606 15.999 > 49 51 O 0.25672680997660 0.43046855076271 0.30927446440394 15.999 > 51 52 O 0.75672680997660 0.43046855076271 0.30927446440394 15.999 > 51 53 O 0.25672680997660 0.06953144923729 0.80927446440394 15.999 > 53 54 O 0.75672680997660 0.06953144923729 0.80927446440394 15.999 > 53 55 O 0.24327319002340 0.56953144923729 0.69072553559606 15.999 > 55 56 O 0.74327319002340 0.56953144923729 0.69072553559606 15.999 > 55 57 O 0.46814240947340 0.63537651761789 0.11945857390961 15.999 > 57 58 O 0.96814240947340 0.63537651761789 0.11945857390961 15.999 > 57 59 O 0.03185759052660 0.13537651761789 0.38054142609039 15.999 > 59 60 O 0.53185759052660 0.13537651761789 0.38054142609039 15.999 > 59 61 O 0.03185759052660 0.36462348238211 0.88054142609039 15.999 > 61 62 O 0.53185759052660 0.36462348238211 0.88054142609039 15.999 > 61 63 O 0.46814240947340 0.86462348238211 0.61945857390961 15.999 > 63 64 O 0.96814240947340 0.86462348238211 0.61945857390961 15.999 > 63 65 Si 0.27979441655574 0.41837069140214 0.74398935991940 28.085 > 65 66 Si 0.77979441655574 0.41837069140214 0.74398935991940 28.085 > 65 67 Si 0.22020558344426 0.91837069140214 0.75601064008060 28.085 > 67 68 Si 0.72020558344426 0.91837069140214 0.75601064008060 28.085 > 67 69 Si 0.22020558344426 0.58162930859786 0.25601064008059 28.085 > 69 70 Si 0.72020558344426 0.58162930859786 0.25601064008059 28.085 > 69 71 Si 0.27979441655574 0.08162930859786 0.24398935991941 28.085 > 71 72 Si 0.77979441655574 0.08162930859786 0.24398935991941 28.085 > 71 73 Si 0.02697253401299 0.20074760114657 0.93798539552579 28.085 > 73 74 Si 0.52697253401299 0.20074760114657 0.93798539552579 28.085 > 73 75 Si 0.47302746598701 0.70074760114657 0.56201460447421 28.085 > 75 76 Si 0.97302746598701 0.70074760114657 0.56201460447421 28.085 > 75 77 Si 0.47302746598701 0.79925239885343 0.06201460447421 28.085 > 77 78 Si 0.97302746598701 0.79925239885343 0.06201460447421 28.085 > 77 79 Si 0.02697253401299 0.29925239885343 0.43798539552579 28.085 > 79 80 Si 0.52697253401299 0.29925239885343 0.43798539552579 28.085 > 79 81 Ga 0.28634119593483 0.69003661545636 0.55319391744247 69.723 > 81 82 Ga 0.78634119593483 0.69003661545636 0.55319391744247 69.723 > 81 83 Ga 0.21365880406517 0.19003661545636 0.94680608255753 69.723 > 83 84 Ga 0.71365880406517 0.19003661545636 0.94680608255753 69.723 > 83 85 Ga 0.21365880406517 0.30996338454364 0.44680608255753 69.723 > 85 86 Ga 0.71365880406517 0.30996338454364 0.44680608255753 69.723 > 85 87 Ga 0.28634119593483 0.80996338454364 0.05319391744247 69.723 > 87 88 Ga 0.78634119593483 0.80996338454364 0.05319391744247 69.723 > 87 89 Ga 0.03467615076802 0.92509887921111 0.77185545539049 69.723 > 89 90 Ga 0.53467615076802 0.92509887921111 0.77185545539049 69.723 > 89 91 Ga 0.46532384923198 0.42509887921111 0.72814454460951 69.723 > 91 92 Ga 0.96532384923198 0.42509887921111 0.72814454460951 69.723 > 91 93 Ga 0.46532384923198 0.07490112078890 0.22814454460951 69.723 > 93 94 Ga 0.96532384923198 0.07490112078890 0.22814454460951 69.723 > 93 95 Ga 0.03467615076802 0.57490112078889 0.27185545539049 69.723 > 95 96 Ga 0.53467615076802 0.57490112078889 0.27185545539049 69.723 > 95 97 Sr 0.12578615096226 0.91384455294443 0.38794685998171 87.620 > 97 98 Sr 0.62578615096226 0.91384455294443 0.38794685998171 87.620 > 97 99 Sr 0.37421384903774 0.41384455294443 0.11205314001829 87.620 > 99 100 Sr 0.87421384903774 0.41384455294443 0.11205314001829 87.620 > 99 101 Sr 0.37421384903774 0.08615544705557 0.61205314001829 87.620 > 101 102 Sr 0.87421384903774 0.08615544705557 0.61205314001829 87.620 > 101 103 Sr 0.12578615096226 0.58615544705557 0.88794685998171 87.620 > 103 104 Sr 0.62578615096226 0.58615544705557 0.88794685998171 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8485576 0.0000000 -0.0137659 0.0000000 2.8758923 0.0000000 -0.0137709 0.0000000 2.8135623 -------------------------- Born effective charges -------------------------- 1 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 2 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 3 O -2.5137492 -0.0343183 -0.1362980 0.0087003 -1.0924774 0.0390762 -0.0814174 -0.0144967 -1.6926441 4 O -2.5137492 0.0343183 -0.1362980 -0.0087003 -1.0924774 -0.0390762 -0.0814174 0.0144967 -1.6926441 5 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 6 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 7 O -2.6719891 -0.1731981 -0.1591069 -0.0502535 -1.2061387 0.0153137 -0.0170034 -0.0565882 -1.1701205 8 O -2.6719891 0.1731981 -0.1591069 0.0502535 -1.2061387 -0.0153137 -0.0170034 0.0565882 -1.1701205 9 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 10 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 11 O -1.4080687 0.0685904 -0.4071666 0.1538034 -1.6869964 -0.3489612 -0.3796811 -0.4946821 -2.1374035 12 O -1.4080687 -0.0685904 -0.4071666 -0.1538034 -1.6869964 0.3489612 -0.3796811 0.4946821 -2.1374035 13 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 14 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 15 O -1.5959040 -0.1392243 0.5276026 -0.0927699 -1.5836547 -0.2345688 0.6552748 -0.3351523 -2.1508931 16 O -1.5959040 0.1392243 0.5276026 0.0927699 -1.5836547 0.2345688 0.6552748 0.3351523 -2.1508931 17 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 18 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 19 O -1.6498962 0.1536906 0.4054940 0.1271347 -2.0175258 -0.4963146 0.4385414 -0.4204242 -1.7296280 20 O -1.6498962 -0.1536906 0.4054940 -0.1271347 -2.0175258 0.4963146 0.4385414 0.4204242 -1.7296280 21 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 22 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 23 O -1.4064036 0.0679205 -0.3047001 -0.0054245 -2.1575602 -0.6028697 -0.3334527 -0.4339793 -1.6931969 24 O -1.4064036 -0.0679205 -0.3047001 0.0054245 -2.1575602 0.6028697 -0.3334527 0.4339793 -1.6931969 25 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 26 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 27 O -1.3858413 -0.0809233 0.2099807 -0.1458904 -2.2317365 -0.5538763 0.2169233 -0.4504373 -1.6084641 28 O -1.3858413 0.0809233 0.2099807 0.1458904 -2.2317365 0.5538763 0.2169233 0.4504373 -1.6084641 29 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 30 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 31 O -1.4547049 0.1258015 -0.2786044 -0.0649506 -2.2667419 0.4632758 -0.2049776 0.5396612 -1.6275319 32 O -1.4547049 -0.1258015 -0.2786044 0.0649506 -2.2667419 -0.4632758 -0.2049776 -0.5396612 -1.6275319 33 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 34 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 35 Si 2.9782122 0.1773768 0.2023732 -0.0691972 2.9031767 -0.2699472 -0.1341329 0.0817575 3.0159328 36 Si 2.9782122 -0.1773768 0.2023732 0.0691972 2.9031767 0.2699472 -0.1341329 -0.0817575 3.0159328 37 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 38 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 39 Si 2.9951039 -0.4512312 0.0307526 0.2857906 3.1051301 0.1419227 -0.4469154 -0.1757762 2.9947515 40 Si 2.9951039 0.4512312 0.0307526 -0.2857906 3.1051301 -0.1419227 -0.4469154 0.1757762 2.9947515 41 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 42 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 43 Ga 2.7635759 -0.2195752 0.0504350 0.0994231 2.8114463 -0.0221755 0.2146284 0.1404415 2.7020292 44 Ga 2.7635759 0.2195752 0.0504350 -0.0994231 2.8114463 0.0221755 0.2146284 -0.1404415 2.7020292 45 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 46 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 47 Ga 2.6667461 0.1371694 -0.1326196 0.0075057 2.7505209 0.2365840 0.0550086 0.0209832 2.7025731 48 Ga 2.6667461 -0.1371694 -0.1326196 -0.0075057 2.7505209 -0.2365840 0.0550086 -0.0209832 2.7025731 49 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 50 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 51 Sr 2.6829189 0.0803810 -0.0081426 0.0481707 2.6725577 -0.1635465 0.0172040 -0.1765849 2.3945954 52 Sr 2.6829189 -0.0803810 -0.0081426 -0.0481707 2.6725577 0.1635465 0.0172040 0.1765849 2.3945954 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.483 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.672 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.887 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 17.314 ( 0.000 0.000 0.000) 0.000 17.438 ( 0.000 0.000 0.000) 0.000 17.565 ( 0.000 0.000 0.000) 0.000 17.646 ( 0.000 0.000 0.000) 0.000 18.040 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.438 ( 0.000 0.000 0.000) 0.000 18.500 ( 0.000 0.000 0.000) 0.000 18.777 ( 0.000 0.000 0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 18.876 ( 0.000 0.000 0.000) 0.000 18.970 ( 0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 19.860 ( 0.000 0.000 0.000) 0.000 20.110 ( 0.000 0.000 0.000) 0.000 25.905 ( 0.000 0.000 0.000) 0.000 25.907 ( 0.000 0.000 0.000) 0.000 25.978 ( 0.000 0.000 0.000) 0.000 25.989 ( 0.000 0.000 0.000) 0.000 26.489 ( 0.000 0.000 0.000) 0.000 26.517 ( 0.000 0.000 0.000) 0.000 26.637 ( 0.000 0.000 0.000) 0.000 26.670 ( 0.000 0.000 0.000) 0.000 26.708 ( 0.000 0.000 0.000) 0.000 26.824 ( 0.000 0.000 0.000) 0.000 26.854 ( 0.000 0.000 0.000) 0.000 26.859 ( 0.000 0.000 0.000) 0.000 26.886 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 27.120 ( 0.000 0.000 0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 27.279 ( 0.000 0.000 0.000) 0.000 27.452 ( 0.000 0.000 0.000) 0.000 27.617 ( 0.000 0.000 0.000) 0.000 27.630 ( 0.000 0.000 0.000) 0.000 28.123 ( 0.000 0.000 0.000) 0.000 28.169 ( 0.000 0.000 0.000) 0.000 28.402 ( 0.000 0.000 0.000) 0.000 28.606 ( 0.000 0.000 0.000) 0.000 28.758 ( 0.000 0.000 0.000) 0.000 29.290 ( 0.000 0.000 0.000) 0.000 29.449 ( 0.000 0.000 0.000) 0.000 29.554 ( 0.000 0.000 0.000) 0.000 30.307 ( 0.000 0.000 0.000) 0.000 30.493 ( 0.000 0.000 0.000) 0.000 30.513 ( 0.000 0.000 0.000) 0.000 30.524 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 26.622 0.000 11.186) 28.877 0.622 ( 31.249 0.000 -3.177) 31.410 1.115 ( 53.754 0.000 -3.632) 53.877 1.901 ( -4.349 0.000 1.149) 4.498 2.108 ( 2.391 0.000 1.812) 3.001 2.283 ( 10.520 0.000 4.325) 11.374 2.390 ( 11.440 0.000 -3.411) 11.938 2.404 ( -1.664 0.000 1.160) 2.029 2.612 ( 4.151 0.000 -3.183) 5.231 2.703 ( -3.454 0.000 3.874) 5.190 2.727 ( -9.693 0.000 3.111) 10.180 2.873 ( -6.291 0.000 -4.490) 7.729 2.954 ( -11.058 0.000 -4.382) 11.895 2.987 ( 4.038 0.000 -2.257) 4.626 3.115 ( -7.919 0.000 4.050) 8.894 3.202 ( 2.890 0.000 -1.874) 3.444 3.277 ( -8.323 0.000 5.954) 10.234 3.333 ( -5.837 0.000 -2.431) 6.323 3.371 ( 1.639 0.000 0.394) 1.686 3.386 ( 1.174 0.000 -2.737) 2.978 3.431 ( 0.795 0.000 -2.858) 2.966 3.647 ( 2.455 0.000 -8.136) 8.498 3.741 ( -10.246 0.000 7.523) 12.711 3.745 ( 0.221 0.000 7.496) 7.499 3.886 ( -2.964 0.000 -4.175) 5.120 3.977 ( 0.264 0.000 -2.066) 2.083 4.081 ( -6.348 0.000 3.376) 7.190 4.124 ( 11.303 0.000 2.986) 11.691 4.217 ( 2.484 0.000 5.197) 5.760 4.253 ( -0.330 0.000 -12.294) 12.298 4.393 ( -5.882 0.000 2.449) 6.372 4.465 ( -6.732 0.000 0.273) 6.737 4.629 ( 6.249 0.000 -0.108) 6.250 4.702 ( 3.832 0.000 3.261) 5.032 4.734 ( 1.337 0.000 1.046) 1.698 4.964 ( -0.429 0.000 7.861) 7.873 5.017 ( -0.480 0.000 -12.357) 12.366 5.094 ( -9.090 0.000 -4.066) 9.957 5.195 ( 5.927 0.000 2.636) 6.487 5.221 ( -1.667 0.000 9.085) 9.236 5.483 ( 2.863 0.000 2.488) 3.793 5.610 ( -5.534 0.000 -2.300) 5.993 5.668 ( 2.911 0.000 -5.932) 6.608 5.672 ( -2.262 0.000 -2.026) 3.037 5.759 ( -1.175 0.000 2.424) 2.694 5.852 ( 0.874 0.000 -3.251) 3.366 6.040 ( -12.842 0.000 1.164) 12.895 6.089 ( -0.020 0.000 7.137) 7.137 6.178 ( -0.839 0.000 -2.328) 2.474 6.287 ( -4.979 0.000 2.246) 5.462 6.291 ( 11.301 0.000 2.269) 11.527 6.427 ( -1.276 0.000 -2.440) 2.753 6.524 ( 1.520 0.000 2.256) 2.721 6.576 ( 0.681 0.000 1.161) 1.346 6.789 ( 2.149 0.000 -0.550) 2.218 6.975 ( 3.791 0.000 -4.045) 5.544 7.184 ( -0.895 0.000 -0.916) 1.281 7.357 ( -2.388 0.000 -3.636) 4.350 7.491 ( 1.026 0.000 1.267) 1.630 7.516 ( 6.008 0.000 1.598) 6.217 8.062 ( 0.004 0.000 -1.194) 1.194 8.137 ( 1.974 0.000 1.442) 2.444 8.148 ( 2.795 0.000 2.892) 4.022 8.198 ( 8.663 0.000 -5.488) 10.255 8.351 ( -0.044 0.000 -2.026) 2.027 8.560 ( -1.747 0.000 1.256) 2.152 8.786 ( -3.256 0.000 0.245) 3.266 9.096 ( 0.298 0.000 7.936) 7.941 9.421 ( -4.913 0.000 -0.818) 4.980 9.484 ( -2.244 0.000 -0.780) 2.376 9.580 ( -1.598 0.000 14.949) 15.034 9.677 ( -0.620 0.000 2.668) 2.739 9.697 ( 2.136 0.000 5.968) 6.339 9.823 ( 1.522 0.000 -7.046) 7.209 9.961 ( 0.519 0.000 0.007) 0.519 10.057 ( 1.410 0.000 -1.087) 1.780 10.845 ( -0.056 0.000 1.202) 1.204 11.042 ( -1.248 0.000 -15.284) 15.335 11.177 ( 2.716 0.000 2.595) 3.757 11.193 ( -5.552 0.000 -1.872) 5.859 11.426 ( 1.110 0.000 0.833) 1.388 11.451 ( -0.753 0.000 -1.184) 1.403 11.779 ( 0.940 0.000 -0.786) 1.225 11.865 ( -0.285 0.000 -0.610) 0.673 12.385 ( 0.746 0.000 0.447) 0.869 12.398 ( 0.835 0.000 -2.996) 3.110 12.610 ( -0.097 0.000 -0.081) 0.126 12.623 ( -0.406 0.000 1.024) 1.101 13.106 ( -0.553 0.000 1.293) 1.406 13.193 ( -0.865 0.000 -2.358) 2.511 13.294 ( 1.936 0.000 4.018) 4.460 13.366 ( -2.126 0.000 3.203) 3.844 14.183 ( 0.707 0.000 -3.730) 3.796 14.259 ( -0.998 0.000 -0.511) 1.121 14.386 ( -0.849 0.000 -1.152) 1.431 14.494 ( -1.182 0.000 -10.258) 10.326 14.545 ( 0.868 0.000 0.212) 0.893 14.824 ( 0.950 0.000 -0.042) 0.951 14.924 ( 0.301 0.000 0.606) 0.677 15.005 ( 0.753 0.000 0.167) 0.771 15.729 ( -0.146 0.000 3.386) 3.389 15.750 ( -0.380 0.000 -0.472) 0.606 15.879 ( -0.734 0.000 0.189) 0.758 16.249 ( 3.749 0.000 1.282) 3.962 16.494 ( 3.101 0.000 -0.865) 3.220 16.702 ( -0.151 0.000 -3.648) 3.651 16.797 ( 2.440 0.000 -0.807) 2.570 17.026 ( 0.440 0.000 0.020) 0.440 17.272 ( 0.441 0.000 6.455) 6.470 17.314 ( -0.018 0.000 0.887) 0.887 17.425 ( -0.606 0.000 1.368) 1.496 17.585 ( 1.392 0.000 -1.130) 1.793 17.791 ( -0.493 0.000 -3.015) 3.055 18.045 ( 0.469 0.000 0.101) 0.479 18.065 ( -2.127 0.000 -0.298) 2.147 18.375 ( -4.110 0.000 0.304) 4.121 18.585 ( 6.085 0.000 1.353) 6.233 18.799 ( -0.823 0.000 -3.617) 3.710 18.891 ( 1.467 0.000 -3.704) 3.984 18.951 ( -1.701 0.000 2.161) 2.750 19.286 ( -1.293 0.000 1.517) 1.993 19.498 ( 4.189 0.000 23.405) 23.777 19.829 ( -2.992 0.000 1.172) 3.213 20.079 ( -3.993 0.000 -5.737) 6.990 25.907 ( -0.408 0.000 2.818) 2.847 25.913 ( 0.743 0.000 -0.988) 1.236 25.978 ( -0.015 0.000 0.699) 0.699 25.988 ( -0.018 0.000 0.120) 0.122 26.477 ( -0.851 0.000 -0.014) 0.851 26.518 ( 0.035 0.000 0.244) 0.246 26.624 ( -1.022 0.000 0.228) 1.047 26.700 ( -1.266 0.000 1.662) 2.089 26.700 ( -1.221 0.000 -3.184) 3.410 26.819 ( -2.040 0.000 -1.329) 2.434 26.820 ( -0.555 0.000 -3.093) 3.142 26.856 ( 0.986 0.000 2.108) 2.327 26.912 ( 1.047 0.000 0.341) 1.101 27.110 ( -0.660 0.000 1.418) 1.565 27.206 ( 3.380 0.000 -16.873) 17.208 27.286 ( 0.714 0.000 -0.089) 0.720 27.332 ( -0.535 0.000 -0.114) 0.547 27.580 ( -3.154 0.000 -0.989) 3.306 27.582 ( -3.787 0.000 -8.486) 9.293 27.803 ( 0.011 0.000 -6.824) 6.824 28.149 ( -2.021 0.000 0.583) 2.103 28.227 ( 8.815 0.000 -6.950) 11.226 28.581 ( -1.923 0.000 -0.686) 2.041 28.728 ( -2.809 0.000 -0.797) 2.919 29.332 ( 3.821 0.000 0.020) 3.821 29.352 ( -4.115 0.000 15.985) 16.507 29.509 ( -6.554 0.000 -0.944) 6.621 29.582 ( 2.382 0.000 3.419) 4.167 30.301 ( -0.330 0.000 -2.136) 2.161 30.564 ( 3.437 0.000 -0.686) 3.505 30.634 ( 10.573 0.000 -3.157) 11.034 31.367 ( -3.334 0.000 10.903) 11.402 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 24.253 0.000 10.611) 26.472 1.234 ( 30.388 0.000 -3.314) 30.568 1.757 ( -9.860 0.000 -4.791) 10.962 2.017 ( 30.760 0.000 -3.222) 30.928 2.171 ( 1.944 0.000 6.019) 6.325 2.368 ( -19.352 0.000 1.352) 19.400 2.370 ( -3.302 0.000 0.230) 3.310 2.475 ( 6.547 0.000 3.659) 7.500 2.626 ( -4.369 0.000 -0.572) 4.406 2.664 ( 8.115 0.000 -0.331) 8.122 2.744 ( 10.753 0.000 1.462) 10.851 2.805 ( -8.540 0.000 5.648) 10.239 2.849 ( 14.222 0.000 -10.298) 17.558 2.909 ( -5.635 0.000 1.968) 5.969 3.059 ( -3.697 0.000 -5.465) 6.598 3.115 ( 0.230 0.000 6.400) 6.404 3.183 ( -8.362 0.000 -9.473) 12.636 3.330 ( 8.750 0.000 -6.497) 10.899 3.339 ( -2.230 0.000 0.978) 2.435 3.451 ( 3.914 0.000 3.433) 5.206 3.492 ( 2.853 0.000 0.273) 2.866 3.613 ( -2.994 0.000 5.461) 6.228 3.663 ( -5.931 0.000 6.884) 9.087 3.735 ( 1.719 0.000 -4.759) 5.061 3.856 ( -0.989 0.000 0.380) 1.060 3.896 ( -7.929 0.000 -4.864) 9.302 4.003 ( 0.719 0.000 2.634) 2.730 4.133 ( -17.750 0.000 1.935) 17.856 4.186 ( -2.476 0.000 -9.052) 9.385 4.194 ( -4.944 0.000 3.287) 5.937 4.302 ( -9.175 0.000 1.343) 9.272 4.411 ( 14.034 0.000 -1.559) 14.121 4.540 ( -16.180 0.000 6.802) 17.552 4.785 ( 3.260 0.000 0.192) 3.266 4.880 ( 9.308 0.000 -5.269) 10.696 4.935 ( -3.293 0.000 2.800) 4.323 5.020 ( 1.560 0.000 -7.514) 7.674 5.050 ( 9.226 0.000 2.210) 9.487 5.186 ( -1.896 0.000 7.594) 7.827 5.317 ( 4.669 0.000 6.629) 8.108 5.540 ( -0.787 0.000 -7.617) 7.658 5.546 ( 3.115 0.000 3.272) 4.517 5.559 ( -6.413 0.000 1.041) 6.496 5.660 ( -7.783 0.000 -5.269) 9.398 5.727 ( -2.689 0.000 5.325) 5.966 5.834 ( -3.838 0.000 -4.491) 5.907 5.835 ( -2.821 0.000 -3.540) 4.527 6.139 ( 3.418 0.000 4.965) 6.028 6.160 ( -6.611 0.000 1.972) 6.898 6.173 ( 1.052 0.000 -3.731) 3.877 6.400 ( -1.117 0.000 -2.306) 2.562 6.514 ( 9.598 0.000 2.590) 9.941 6.571 ( 2.730 0.000 2.140) 3.469 6.583 ( 0.147 0.000 1.940) 1.945 6.816 ( 0.495 0.000 -0.694) 0.852 7.054 ( 3.223 0.000 -4.744) 5.735 7.206 ( 2.224 0.000 -0.065) 2.225 7.299 ( -2.760 0.000 -1.672) 3.227 7.515 ( 1.110 0.000 2.362) 2.610 7.591 ( 1.830 0.000 -0.216) 1.843 8.089 ( 2.512 0.000 -1.335) 2.844 8.169 ( 1.263 0.000 0.946) 1.578 8.204 ( 2.432 0.000 0.441) 2.472 8.342 ( -0.874 0.000 -1.997) 2.179 8.396 ( 8.660 0.000 -1.129) 8.733 8.516 ( -2.374 0.000 1.670) 2.902 8.752 ( 0.998 0.000 -2.753) 2.929 9.063 ( -3.861 0.000 6.285) 7.376 9.307 ( -5.503 0.000 -0.904) 5.576 9.431 ( -2.616 0.000 -0.656) 2.698 9.574 ( 0.845 0.000 4.848) 4.921 9.669 ( -0.281 0.000 2.424) 2.440 9.700 ( -1.545 0.000 -1.908) 2.455 9.866 ( 2.039 0.000 0.128) 2.043 9.973 ( 0.591 0.000 0.177) 0.617 10.096 ( 2.226 0.000 -0.883) 2.394 10.851 ( 0.618 0.000 1.356) 1.490 11.019 ( -0.792 0.000 -5.005) 5.067 11.086 ( -4.589 0.000 -1.713) 4.898 11.232 ( 2.436 0.000 3.161) 3.991 11.431 ( -1.018 0.000 -1.718) 1.997 11.433 ( -0.162 0.000 0.319) 0.358 11.791 ( 0.217 0.000 -0.571) 0.611 11.858 ( -0.279 0.000 -0.628) 0.687 12.403 ( 0.906 0.000 0.379) 0.982 12.415 ( 0.783 0.000 -1.159) 1.399 12.608 ( -0.061 0.000 -0.097) 0.114 12.615 ( -0.355 0.000 0.961) 1.024 13.094 ( -0.485 0.000 1.556) 1.630 13.191 ( 0.526 0.000 -1.550) 1.637 13.319 ( -2.189 0.000 -0.154) 2.195 13.323 ( 0.778 0.000 3.206) 3.299 14.204 ( 1.293 0.000 -1.051) 1.666 14.239 ( -0.777 0.000 -0.521) 0.935 14.360 ( -1.578 0.000 -1.009) 1.873 14.469 ( -0.956 0.000 -2.988) 3.137 14.559 ( 0.375 0.000 0.268) 0.461 14.854 ( 1.974 0.000 -0.219) 1.986 14.924 ( -0.546 0.000 0.766) 0.941 15.019 ( 0.554 0.000 0.169) 0.579 15.731 ( 0.201 0.000 1.151) 1.168 15.742 ( -0.387 0.000 -0.470) 0.608 15.863 ( -0.776 0.000 0.148) 0.790 16.324 ( 3.035 0.000 1.311) 3.306 16.560 ( 3.044 0.000 -0.927) 3.182 16.702 ( 0.252 0.000 -1.245) 1.270 16.849 ( 2.312 0.000 -0.726) 2.423 17.034 ( 0.259 0.000 0.214) 0.336 17.286 ( 0.713 0.000 0.937) 1.177 17.314 ( -0.031 0.000 1.077) 1.077 17.438 ( 2.018 0.000 0.136) 2.022 17.595 ( -0.646 0.000 0.235) 0.688 17.782 ( -0.298 0.000 -0.594) 0.664 18.019 ( -2.110 0.000 -0.091) 2.112 18.054 ( 0.360 0.000 0.107) 0.376 18.297 ( -3.398 0.000 0.741) 3.478 18.707 ( 5.429 0.000 -0.137) 5.430 18.777 ( -1.132 0.000 -4.113) 4.267 18.918 ( -1.384 0.000 2.663) 3.001 18.923 ( 1.616 0.000 -3.242) 3.622 19.258 ( -1.329 0.000 1.554) 2.045 19.613 ( 6.440 0.000 11.225) 12.941 19.758 ( -3.538 0.000 1.400) 3.805 19.971 ( -6.262 0.000 -4.991) 8.008 25.899 ( -0.396 0.000 0.992) 1.068 25.931 ( 0.914 0.000 -1.365) 1.643 25.977 ( -0.072 0.000 1.045) 1.047 25.988 ( -0.022 0.000 0.092) 0.095 26.468 ( 0.087 0.000 0.159) 0.181 26.517 ( -0.230 0.000 -0.097) 0.249 26.608 ( -0.454 0.000 0.345) 0.570 26.655 ( -2.696 0.000 1.316) 3.000 26.660 ( -2.296 0.000 -1.442) 2.711 26.793 ( -0.809 0.000 -0.507) 0.955 26.815 ( 0.116 0.000 -1.425) 1.429 26.887 ( 1.616 0.000 0.106) 1.620 26.921 ( 0.123 0.000 0.111) 0.165 27.097 ( -0.653 0.000 1.630) 1.755 27.269 ( 2.852 0.000 -9.281) 9.709 27.303 ( 0.758 0.000 -0.073) 0.761 27.321 ( -0.458 0.000 3.762) 3.790 27.508 ( -3.058 0.000 -5.006) 5.866 27.521 ( -2.248 0.000 -0.910) 2.425 27.806 ( 0.208 0.000 1.359) 1.374 28.099 ( -2.570 0.000 0.281) 2.585 28.404 ( 7.774 0.000 -3.809) 8.657 28.551 ( -0.824 0.000 -0.358) 0.898 28.663 ( -3.164 0.000 -0.844) 3.275 29.253 ( -4.893 0.000 1.716) 5.185 29.395 ( -4.435 0.000 3.784) 5.830 29.413 ( 3.594 0.000 0.195) 3.599 29.629 ( 1.826 0.000 3.023) 3.531 30.300 ( 0.201 0.000 -1.897) 1.908 30.632 ( 2.879 0.000 -0.823) 2.994 30.866 ( 11.694 0.000 -4.451) 12.513 31.274 ( -6.196 0.000 6.603) 9.054 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.000 0.000) 0.000 1.483 ( -0.000 0.000 -0.000) 0.000 1.789 ( -0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 -0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.361 ( 0.000 0.000 -0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 -0.000) 0.000 2.754 ( 0.000 0.000 -0.000) 0.000 2.844 ( 0.000 0.000 -0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 -0.000) 0.000 3.079 ( 0.000 0.000 -0.000) 0.000 3.165 ( 0.000 0.000 -0.000) 0.000 3.312 ( -0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 -0.000) 0.000 3.453 ( -0.000 0.000 -0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.553 ( -0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 -0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 -0.000) 0.000 4.011 ( 0.000 0.000 -0.000) 0.000 4.029 ( -0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 -0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 -0.000) 0.000 4.609 ( 0.000 0.000 -0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 -0.000) 0.000 5.041 ( 0.000 0.000 -0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.447 ( -0.000 0.000 -0.000) 0.000 5.470 ( 0.000 0.000 -0.000) 0.000 5.584 ( 0.000 0.000 -0.000) 0.000 5.601 ( -0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 -0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 -0.000) 0.000 6.157 ( 0.000 0.000 -0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 -0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 -0.000) 0.000 6.817 ( 0.000 0.000 -0.000) 0.000 7.084 ( 0.000 0.000 -0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.262 ( -0.000 0.000 -0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 -0.000) 0.000 8.125 ( 0.000 0.000 -0.000) 0.000 8.184 ( 0.000 0.000 -0.000) 0.000 8.231 ( 0.000 0.000 -0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 -0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 -0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 -0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 -0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 -0.000) 0.000 11.260 ( 0.000 0.000 -0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.792 ( 0.000 0.000 -0.000) 0.000 11.855 ( 0.000 0.000 -0.000) 0.000 12.414 ( 0.000 0.000 -0.000) 0.000 12.423 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 -0.000) 0.000 12.611 ( 0.000 0.000 -0.000) 0.000 13.090 ( 0.000 0.000 -0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 -0.000) 0.000 14.221 ( 0.000 0.000 -0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.459 ( 0.000 0.000 -0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 -0.000) 0.000 15.025 ( 0.000 0.000 -0.000) 0.000 15.734 ( 0.000 0.000 -0.000) 0.000 15.737 ( 0.000 0.000 -0.000) 0.000 15.854 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 -0.000) 0.000 16.594 ( 0.000 0.000 -0.000) 0.000 16.706 ( 0.000 0.000 -0.000) 0.000 16.873 ( 0.000 0.000 0.000) 0.000 17.036 ( 0.000 0.000 -0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.314 ( 0.000 0.000 -0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.574 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 0.000) 0.000 18.058 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.763 ( 0.000 0.000 -0.000) 0.000 18.767 ( 0.000 0.000 0.000) 0.000 18.904 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 -0.000) 0.000 19.243 ( 0.000 0.000 -0.000) 0.000 19.708 ( 0.000 0.000 -0.000) 0.000 19.718 ( 0.000 0.000 0.000) 0.000 19.878 ( 0.000 0.000 0.000) 0.000 25.895 ( 0.000 0.000 0.000) 0.000 25.941 ( 0.000 0.000 0.000) 0.000 25.976 ( 0.000 0.000 -0.000) 0.000 25.988 ( 0.000 0.000 -0.000) 0.000 26.474 ( 0.000 0.000 0.000) 0.000 26.511 ( 0.000 0.000 0.000) 0.000 26.606 ( 0.000 0.000 0.000) 0.000 26.623 ( 0.000 0.000 -0.000) 0.000 26.631 ( 0.000 0.000 -0.000) 0.000 26.784 ( 0.000 0.000 -0.000) 0.000 26.817 ( 0.000 0.000 -0.000) 0.000 26.906 ( 0.000 0.000 -0.000) 0.000 26.922 ( 0.000 0.000 -0.000) 0.000 27.089 ( 0.000 0.000 -0.000) 0.000 27.297 ( 0.000 0.000 0.000) 0.000 27.311 ( 0.000 0.000 -0.000) 0.000 27.320 ( 0.000 0.000 -0.000) 0.000 27.474 ( 0.000 0.000 -0.000) 0.000 27.498 ( 0.000 0.000 0.000) 0.000 27.809 ( 0.000 0.000 0.000) 0.000 28.069 ( 0.000 0.000 -0.000) 0.000 28.488 ( 0.000 0.000 -0.000) 0.000 28.546 ( 0.000 0.000 -0.000) 0.000 28.626 ( 0.000 0.000 0.000) 0.000 29.200 ( 0.000 0.000 -0.000) 0.000 29.347 ( 0.000 0.000 0.000) 0.000 29.452 ( 0.000 0.000 0.000) 0.000 29.648 ( 0.000 0.000 -0.000) 0.000 30.302 ( 0.000 0.000 -0.000) 0.000 30.663 ( 0.000 0.000 0.000) 0.000 31.032 ( 0.000 0.000 -0.000) 0.000 31.165 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 31.188 0.000) 31.188 0.751 ( 0.000 34.763 0.000) 34.763 1.245 ( 0.000 54.444 0.000) 54.444 2.038 ( 0.000 12.110 0.000) 12.110 2.095 ( 0.000 -4.660 0.000) 4.660 2.147 ( 0.000 6.496 0.000) 6.496 2.322 ( 0.000 0.457 0.000) 0.457 2.421 ( 0.000 0.438 0.000) 0.438 2.564 ( 0.000 -5.062 0.000) 5.062 2.657 ( 0.000 -10.468 0.000) 10.468 2.730 ( 0.000 0.759 0.000) 0.759 2.875 ( 0.000 -6.182 0.000) 6.182 2.956 ( 0.000 4.261 0.000) 4.261 3.034 ( 0.000 -7.651 0.000) 7.651 3.116 ( 0.000 -1.164 0.000) 1.164 3.187 ( 0.000 0.308 0.000) 0.308 3.310 ( 0.000 -2.418 0.000) 2.418 3.335 ( 0.000 -1.945 0.000) 1.945 3.338 ( 0.000 -4.787 0.000) 4.787 3.400 ( 0.000 0.824 0.000) 0.824 3.536 ( 0.000 0.998 0.000) 0.998 3.587 ( 0.000 -3.164 0.000) 3.164 3.662 ( 0.000 -1.400 0.000) 1.400 3.755 ( 0.000 -1.495 0.000) 1.495 3.848 ( 0.000 -7.636 0.000) 7.636 3.909 ( 0.000 -2.834 0.000) 2.834 3.943 ( 0.000 -4.567 0.000) 4.567 4.099 ( 0.000 1.329 0.000) 1.329 4.128 ( 0.000 -7.707 0.000) 7.707 4.318 ( 0.000 16.046 0.000) 16.046 4.480 ( 0.000 4.108 0.000) 4.108 4.520 ( 0.000 -2.909 0.000) 2.909 4.616 ( 0.000 8.055 0.000) 8.055 4.799 ( 0.000 5.956 0.000) 5.956 4.935 ( 0.000 9.231 0.000) 9.231 4.953 ( 0.000 -3.116 0.000) 3.116 5.004 ( 0.000 -4.941 0.000) 4.941 5.084 ( 0.000 2.809 0.000) 2.809 5.190 ( 0.000 -0.035 0.000) 0.035 5.369 ( 0.000 7.884 0.000) 7.884 5.414 ( 0.000 -3.724 0.000) 3.724 5.508 ( 0.000 -8.365 0.000) 8.365 5.639 ( 0.000 -10.168 0.000) 10.168 5.796 ( 0.000 6.955 0.000) 6.955 5.864 ( 0.000 3.175 0.000) 3.175 6.005 ( 0.000 1.486 0.000) 1.486 6.016 ( 0.000 -2.811 0.000) 2.811 6.078 ( 0.000 -14.306 0.000) 14.306 6.191 ( 0.000 0.301 0.000) 0.301 6.210 ( 0.000 -0.014 0.000) 0.014 6.284 ( 0.000 1.158 0.000) 1.158 6.356 ( 0.000 -1.738 0.000) 1.738 6.584 ( 0.000 2.548 0.000) 2.548 6.758 ( 0.000 11.666 0.000) 11.666 6.836 ( 0.000 -6.543 0.000) 6.543 7.022 ( 0.000 4.083 0.000) 4.083 7.223 ( 0.000 -1.702 0.000) 1.702 7.358 ( 0.000 -1.498 0.000) 1.498 7.459 ( 0.000 6.713 0.000) 6.713 7.510 ( 0.000 -0.065 0.000) 0.065 8.004 ( 0.000 -7.321 0.000) 7.321 8.006 ( 0.000 -5.773 0.000) 5.773 8.113 ( 0.000 1.294 0.000) 1.294 8.192 ( 0.000 1.513 0.000) 1.513 8.379 ( 0.000 3.786 0.000) 3.786 8.509 ( 0.000 5.090 0.000) 5.090 8.701 ( 0.000 -0.272 0.000) 0.272 8.783 ( 0.000 -4.316 0.000) 4.316 9.322 ( 0.000 1.942 0.000) 1.942 9.518 ( 0.000 2.818 0.000) 2.818 9.604 ( 0.000 -4.378 0.000) 4.378 9.644 ( 0.000 1.887 0.000) 1.887 9.811 ( 0.000 5.794 0.000) 5.794 9.845 ( 0.000 -5.037 0.000) 5.037 10.023 ( 0.000 -2.254 0.000) 2.254 10.161 ( 0.000 -4.659 0.000) 4.659 10.856 ( 0.000 0.359 0.000) 0.359 10.879 ( 0.000 0.091 0.000) 0.091 11.157 ( 0.000 1.425 0.000) 1.425 11.255 ( 0.000 -0.993 0.000) 0.993 11.390 ( 0.000 -1.955 0.000) 1.955 11.503 ( 0.000 3.007 0.000) 3.007 11.679 ( 0.000 -7.594 0.000) 7.594 11.810 ( 0.000 -4.931 0.000) 4.931 12.380 ( 0.000 -0.026 0.000) 0.026 12.417 ( 0.000 -0.671 0.000) 0.671 12.629 ( 0.000 1.505 0.000) 1.505 12.653 ( 0.000 1.738 0.000) 1.738 13.105 ( 0.000 -0.432 0.000) 0.432 13.215 ( 0.000 -3.524 0.000) 3.524 13.319 ( 0.000 0.947 0.000) 0.947 13.382 ( 0.000 -0.642 0.000) 0.642 14.182 ( 0.000 3.120 0.000) 3.120 14.276 ( 0.000 1.314 0.000) 1.314 14.370 ( 0.000 -2.132 0.000) 2.132 14.520 ( 0.000 -2.778 0.000) 2.778 14.572 ( 0.000 7.545 0.000) 7.545 14.924 ( 0.000 0.429 0.000) 0.429 14.985 ( 0.000 -1.002 0.000) 1.002 15.175 ( 0.000 -6.544 0.000) 6.544 15.680 ( 0.000 0.813 0.000) 0.813 15.763 ( 0.000 -0.660 0.000) 0.660 15.926 ( 0.000 3.393 0.000) 3.393 16.180 ( 0.000 -2.450 0.000) 2.450 16.464 ( 0.000 0.214 0.000) 0.214 16.585 ( 0.000 -4.087 0.000) 4.087 16.844 ( 0.000 4.587 0.000) 4.587 17.013 ( 0.000 -0.797 0.000) 0.797 17.261 ( 0.000 4.728 0.000) 4.728 17.312 ( 0.000 -0.092 0.000) 0.092 17.402 ( 0.000 -2.425 0.000) 2.425 17.553 ( 0.000 -1.404 0.000) 1.404 17.717 ( 0.000 5.764 0.000) 5.764 18.026 ( 0.000 -1.335 0.000) 1.335 18.146 ( 0.000 1.093 0.000) 1.093 18.454 ( 0.000 -4.185 0.000) 4.185 18.474 ( 0.000 2.756 0.000) 2.756 18.745 ( 0.000 -2.888 0.000) 2.888 18.889 ( 0.000 4.222 0.000) 4.222 18.891 ( 0.000 1.251 0.000) 1.251 19.044 ( 0.000 8.730 0.000) 8.730 19.787 ( 0.000 2.288 0.000) 2.288 19.794 ( 0.000 -6.340 0.000) 6.340 20.069 ( 0.000 -3.663 0.000) 3.663 25.876 ( 0.000 -2.308 0.000) 2.308 25.923 ( 0.000 -4.787 0.000) 4.787 25.948 ( 0.000 3.702 0.000) 3.702 26.343 ( 0.000 -5.967 0.000) 5.967 26.500 ( 0.000 1.120 0.000) 1.120 26.570 ( 0.000 -0.836 0.000) 0.836 26.669 ( 0.000 -0.171 0.000) 0.171 26.676 ( 0.000 2.700 0.000) 2.700 26.804 ( 0.000 -0.782 0.000) 0.782 26.883 ( 0.000 -0.316 0.000) 0.316 26.888 ( 0.000 3.737 0.000) 3.737 26.963 ( 0.000 -0.018 0.000) 0.018 26.980 ( 0.000 7.862 0.000) 7.862 27.142 ( 0.000 2.627 0.000) 2.627 27.246 ( 0.000 0.230 0.000) 0.230 27.275 ( 0.000 -0.091 0.000) 0.091 27.299 ( 0.000 1.243 0.000) 1.243 27.433 ( 0.000 -1.935 0.000) 1.935 27.676 ( 0.000 4.853 0.000) 4.853 28.131 ( 0.000 1.248 0.000) 1.248 28.137 ( 0.000 -3.116 0.000) 3.116 28.196 ( 0.000 4.567 0.000) 4.567 28.366 ( 0.000 -3.420 0.000) 3.420 28.570 ( 0.000 -3.478 0.000) 3.478 29.187 ( 0.000 0.020 0.000) 0.020 29.351 ( 0.000 -6.097 0.000) 6.097 29.624 ( 0.000 4.011 0.000) 4.011 29.852 ( 0.000 -2.699 0.000) 2.699 30.460 ( 0.000 -1.714 0.000) 1.714 30.495 ( 0.000 -1.595 0.000) 1.595 30.554 ( 0.000 1.566 0.000) 1.566 30.613 ( 0.000 -0.552 0.000) 0.552 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 14.078 26.734 8.247) 31.320 0.986 ( 22.430 23.054 -0.753) 32.174 1.599 ( 31.621 37.289 -1.954) 48.930 2.046 ( -2.084 13.953 0.660) 14.123 2.124 ( 0.127 1.688 1.404) 2.199 2.258 ( 9.789 -2.515 1.192) 10.177 2.332 ( 4.710 -4.579 -1.803) 6.812 2.436 ( 4.850 -0.003 -0.921) 4.937 2.607 ( 1.499 -2.972 2.787) 4.341 2.668 ( 0.074 -3.121 0.527) 3.166 2.707 ( -1.053 -4.277 -0.859) 4.488 2.842 ( -7.851 -2.188 -3.459) 8.854 2.869 ( -7.214 3.232 -1.275) 8.007 2.979 ( -0.021 -4.261 1.607) 4.554 3.034 ( -8.232 -4.417 7.287) 11.848 3.207 ( 0.340 -1.229 -1.587) 2.036 3.228 ( -2.803 -0.097 0.506) 2.850 3.354 ( 0.740 1.067 -4.849) 5.020 3.387 ( 0.334 0.659 -2.005) 2.136 3.404 ( 2.494 -2.275 0.388) 3.398 3.511 ( -2.701 5.431 -1.437) 6.233 3.605 ( -2.715 -6.080 5.987) 8.954 3.660 ( 0.931 -3.513 0.808) 3.723 3.759 ( -2.624 -3.299 4.226) 5.969 3.820 ( -5.239 -3.396 -2.708) 6.805 3.864 ( 2.750 -1.821 -5.721) 6.604 3.960 ( 4.077 -6.191 0.796) 7.455 4.105 ( -1.550 -6.229 -6.789) 9.343 4.146 ( 1.460 -2.961 1.500) 3.626 4.323 ( -0.663 6.341 3.690) 7.367 4.414 ( -6.306 3.271 -5.080) 8.734 4.529 ( -3.713 4.443 1.776) 6.056 4.627 ( 3.888 1.231 -0.990) 4.196 4.800 ( 0.857 6.934 2.827) 7.537 4.885 ( -0.695 10.538 3.198) 11.035 4.979 ( -3.225 -1.759 -1.587) 4.001 5.027 ( -1.144 2.484 4.594) 5.347 5.039 ( 2.993 -5.437 -2.539) 6.706 5.214 ( -0.223 1.585 -2.423) 2.904 5.283 ( -4.415 5.728 3.120) 7.876 5.435 ( 1.190 -3.417 0.769) 3.699 5.546 ( 2.115 -5.734 -0.384) 6.124 5.609 ( -2.409 -7.059 -2.832) 7.978 5.783 ( -5.122 2.114 3.115) 6.357 5.848 ( 1.980 8.121 -3.456) 9.045 5.925 ( -5.381 1.335 -1.709) 5.801 5.994 ( -4.770 -2.304 -0.096) 5.298 6.028 ( -4.132 -8.217 0.024) 9.197 6.145 ( -3.062 1.843 2.566) 4.400 6.199 ( -0.065 -6.753 -2.935) 7.364 6.203 ( -1.165 -0.805 2.108) 2.539 6.408 ( 2.753 -0.690 2.126) 3.546 6.589 ( 0.472 2.939 -2.001) 3.587 6.751 ( -0.034 9.913 -0.209) 9.915 6.853 ( 1.344 -3.598 2.383) 4.520 6.964 ( -0.211 7.845 -3.409) 8.557 7.195 ( -0.684 -0.291 1.612) 1.775 7.432 ( 2.592 -2.999 -0.054) 3.964 7.459 ( -0.324 6.023 0.881) 6.096 7.521 ( 3.190 1.168 1.196) 3.602 7.998 ( 0.616 -5.824 1.330) 6.006 8.072 ( 5.536 -7.100 -3.976) 9.842 8.152 ( 3.088 0.411 -1.249) 3.356 8.203 ( 1.666 0.752 -0.262) 1.846 8.414 ( 2.041 5.949 -0.857) 6.347 8.596 ( 0.449 2.999 1.152) 3.244 8.757 ( -2.015 -2.726 0.593) 3.441 8.872 ( 12.022 -10.701 5.109) 16.886 9.363 ( 3.052 -0.443 -1.536) 3.445 9.465 ( -4.676 2.403 0.342) 5.269 9.558 ( -3.260 0.211 2.114) 3.891 9.697 ( 2.259 0.259 -1.379) 2.659 9.802 ( 0.316 2.426 -1.093) 2.679 9.868 ( 1.598 -3.907 -0.831) 4.302 9.964 ( -8.331 1.717 5.870) 10.335 10.060 ( -1.032 -0.734 0.601) 1.402 10.856 ( 0.195 0.943 0.920) 1.332 10.950 ( 3.441 -3.926 -6.878) 8.634 11.165 ( -1.429 -0.346 1.469) 2.078 11.199 ( -2.143 -0.002 0.185) 2.151 11.402 ( 0.386 -1.382 -0.516) 1.525 11.499 ( -0.338 3.085 -1.647) 3.513 11.696 ( 1.289 -7.160 -0.608) 7.301 11.804 ( -0.463 -5.131 -0.787) 5.211 12.382 ( 0.305 0.036 1.317) 1.352 12.414 ( 0.180 0.217 -1.698) 1.721 12.624 ( -0.412 1.305 -0.179) 1.380 12.650 ( -0.398 1.656 1.208) 2.088 13.095 ( -0.809 -0.481 0.738) 1.196 13.189 ( -1.876 -1.828 -1.011) 2.808 13.301 ( 0.002 0.701 1.461) 1.620 13.363 ( -1.851 -0.481 1.739) 2.585 14.194 ( 0.621 1.667 -2.049) 2.714 14.271 ( -0.370 1.472 0.730) 1.684 14.364 ( -0.686 -1.709 -1.560) 2.413 14.500 ( -1.575 -1.518 -2.724) 3.494 14.592 ( 1.284 5.836 0.002) 5.976 14.922 ( -0.475 0.942 0.482) 1.160 14.964 ( -5.425 1.902 0.275) 5.755 15.020 ( -1.730 1.151 -1.406) 2.509 15.692 ( 0.039 -1.124 2.060) 2.347 15.751 ( -0.880 -0.612 -0.219) 1.094 15.956 ( 1.455 5.285 -0.025) 5.482 16.227 ( 4.232 -2.106 0.699) 4.778 16.490 ( 2.603 -0.188 -0.467) 2.651 16.599 ( 1.043 -4.869 -0.903) 5.060 16.893 ( 2.737 4.323 -0.471) 5.138 17.015 ( 0.448 -0.762 0.570) 1.052 17.285 ( 0.952 2.198 2.093) 3.181 17.312 ( 0.180 -0.026 0.023) 0.183 17.393 ( -0.455 -2.424 0.642) 2.549 17.553 ( -0.172 -2.448 -1.231) 2.746 17.791 ( 3.910 2.918 0.280) 4.887 18.036 ( 0.996 -0.821 0.528) 1.394 18.113 ( -2.281 3.221 -0.057) 3.948 18.422 ( -2.062 2.848 -2.260) 4.180 18.533 ( 4.419 -3.535 3.141) 6.473 18.829 ( 1.214 -3.985 -3.171) 5.235 18.876 ( 0.050 1.943 -0.620) 2.040 18.991 ( 6.508 -3.326 3.267) 8.006 19.057 ( 3.830 5.783 1.308) 7.058 19.671 ( -6.953 5.560 6.807) 11.207 19.770 ( -2.608 -5.670 0.283) 6.247 20.024 ( -4.492 -4.546 -2.887) 7.013 25.882 ( 0.537 -2.423 -0.018) 2.482 25.912 ( -0.944 -4.172 0.375) 4.294 25.943 ( -0.472 3.313 -0.696) 3.419 26.222 ( -8.476 3.581 3.880) 9.986 26.491 ( -0.927 1.159 0.243) 1.504 26.534 ( -1.795 1.039 1.193) 2.393 26.629 ( -1.737 1.982 1.589) 3.078 26.694 ( -0.877 -0.561 0.424) 1.124 26.719 ( -2.802 1.886 -2.267) 4.068 26.845 ( -3.876 2.149 -0.257) 4.439 26.905 ( 1.644 3.825 -0.685) 4.219 26.913 ( -1.659 5.090 0.907) 5.430 26.994 ( 0.770 7.746 0.919) 7.838 27.124 ( -0.451 1.178 -0.401) 1.324 27.202 ( 0.727 0.131 -13.948) 13.968 27.260 ( 0.687 -1.035 0.903) 1.536 27.336 ( 0.121 -0.603 0.074) 0.619 27.443 ( -1.344 -4.034 -5.292) 6.788 27.767 ( 4.339 4.358 3.212) 6.938 27.878 ( -10.503 9.249 -7.006) 15.651 28.081 ( -2.500 -4.210 -1.468) 5.112 28.272 ( 7.315 2.676 -0.766) 7.827 28.550 ( -1.419 -3.085 -0.712) 3.469 28.633 ( 7.435 -6.748 4.705) 11.088 29.245 ( 5.036 -3.224 -1.312) 6.122 29.313 ( -3.427 -5.855 -5.363) 8.648 29.533 ( -9.873 4.234 9.896) 14.606 29.650 ( -5.900 1.710 3.252) 6.950 30.323 ( -2.435 1.529 -2.047) 3.529 30.512 ( 3.037 -3.828 -1.416) 5.087 30.676 ( 10.403 2.884 -1.573) 10.909 31.069 ( 14.768 -15.375 6.244) 22.214 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 18.816 16.443 8.608) 26.430 1.437 ( 21.559 15.473 -0.819) 26.550 1.926 ( -6.329 12.765 -5.677) 15.337 2.134 ( 5.007 3.946 2.920) 7.012 2.208 ( 11.787 7.423 3.179) 14.288 2.310 ( 4.121 -1.691 -2.517) 5.116 2.429 ( -13.824 4.691 5.135) 15.475 2.539 ( -4.295 -2.702 0.195) 5.078 2.591 ( -0.561 2.751 -1.876) 3.376 2.682 ( 5.622 -8.884 -1.693) 10.649 2.714 ( 0.556 1.879 1.821) 2.675 2.772 ( 10.180 3.990 1.960) 11.108 2.807 ( 4.431 -6.386 0.233) 7.777 2.904 ( 3.797 1.800 -3.356) 5.378 2.978 ( -0.892 -2.888 -0.998) 3.183 3.182 ( -0.390 -5.635 -10.370) 11.809 3.201 ( -1.070 6.269 4.835) 7.989 3.333 ( -2.555 6.315 -6.587) 9.476 3.433 ( -1.300 -3.097 10.632) 11.150 3.468 ( 6.337 2.018 0.178) 6.652 3.474 ( 0.182 -0.922 -0.122) 0.948 3.532 ( 0.631 -0.765 1.845) 2.095 3.637 ( -6.286 1.470 4.047) 7.620 3.718 ( 2.062 -2.544 -6.366) 7.159 3.815 ( 1.378 -5.732 2.042) 6.239 3.888 ( -0.717 -2.623 1.803) 3.263 3.921 ( -5.658 0.056 -3.022) 6.415 4.118 ( 1.638 -5.847 -7.208) 9.425 4.160 ( -2.850 -3.595 2.158) 5.070 4.208 ( -12.789 3.839 -1.108) 13.399 4.278 ( -5.441 3.656 -0.213) 6.559 4.455 ( -0.624 2.137 0.286) 2.245 4.585 ( -12.247 4.758 3.997) 13.733 4.835 ( 1.462 2.526 0.537) 2.968 4.854 ( 3.440 -3.949 -0.608) 5.272 5.018 ( 7.141 5.830 0.621) 9.239 5.049 ( 1.268 3.389 1.183) 3.807 5.083 ( 3.019 1.886 -1.559) 3.886 5.179 ( -1.624 -5.672 3.825) 7.032 5.278 ( 1.659 1.781 0.694) 2.531 5.405 ( -4.351 -4.331 4.430) 7.571 5.540 ( 1.533 -0.023 -5.660) 5.864 5.639 ( -1.438 1.277 2.059) 2.817 5.704 ( 1.044 -3.511 0.373) 3.682 5.727 ( -10.665 2.311 -3.965) 11.611 5.853 ( -6.162 1.864 -2.807) 7.022 5.895 ( -1.287 2.504 -3.255) 4.304 5.978 ( -2.169 -14.015 1.440) 14.255 6.123 ( -4.886 -3.245 1.970) 6.187 6.160 ( 3.112 2.287 2.571) 4.639 6.219 ( 1.153 -6.886 -2.543) 7.431 6.511 ( 5.627 -2.188 2.354) 6.480 6.607 ( 1.390 3.520 -0.666) 3.843 6.772 ( 2.159 9.175 -0.089) 9.426 6.869 ( -0.098 2.489 3.274) 4.114 7.012 ( 4.179 0.803 -8.473) 9.481 7.184 ( -1.465 -2.301 4.248) 5.048 7.409 ( -2.347 8.247 1.744) 8.750 7.492 ( 1.785 -5.639 0.599) 5.946 7.591 ( 3.213 4.109 -0.678) 5.259 8.035 ( 2.821 -5.051 0.118) 5.787 8.171 ( 3.169 -2.666 -0.381) 4.159 8.204 ( 2.155 0.607 -1.006) 2.455 8.255 ( 2.379 -4.982 -2.450) 6.039 8.468 ( 2.946 5.482 0.212) 6.227 8.577 ( -1.343 5.034 0.925) 5.292 8.741 ( 1.583 -1.057 -1.575) 2.471 8.990 ( 0.121 -5.860 5.051) 7.738 9.360 ( -4.922 3.210 -0.179) 5.879 9.400 ( 0.255 -1.474 -1.804) 2.343 9.501 ( -1.664 -0.514 1.518) 2.310 9.682 ( -2.260 0.983 -2.470) 3.489 9.842 ( -0.501 1.167 0.417) 1.337 9.847 ( 0.250 3.564 4.467) 5.720 9.899 ( 1.034 -5.595 -0.773) 5.742 10.076 ( 1.411 -2.123 0.205) 2.557 10.864 ( 0.560 1.208 1.093) 1.723 10.985 ( 0.680 -2.493 -3.547) 4.389 11.084 ( -3.937 0.101 -0.880) 4.035 11.216 ( 1.314 -1.589 2.551) 3.280 11.400 ( -0.386 -0.460 -0.600) 0.849 11.490 ( -0.459 3.033 -1.352) 3.353 11.713 ( 0.328 -6.502 -0.369) 6.521 11.796 ( -0.292 -5.564 -0.881) 5.641 12.397 ( 1.022 -0.104 0.878) 1.351 12.421 ( 0.243 0.140 -0.998) 1.037 12.616 ( -0.349 0.783 -0.209) 0.882 12.639 ( -0.656 1.391 1.241) 1.976 13.084 ( -0.252 -0.676 1.184) 1.387 13.164 ( -0.680 -2.125 -1.287) 2.576 13.312 ( 0.537 -0.698 2.058) 2.238 13.324 ( -1.594 0.118 0.064) 1.599 14.198 ( -0.073 0.320 -1.235) 1.278 14.272 ( 0.601 1.881 1.225) 2.324 14.339 ( -1.658 -1.197 -1.957) 2.831 14.469 ( -1.228 -0.691 -1.927) 2.387 14.609 ( 0.441 4.806 0.204) 4.830 14.883 ( -1.162 1.309 0.569) 1.841 14.927 ( -0.219 0.588 0.384) 0.736 15.031 ( 0.854 0.189 -0.049) 0.876 15.688 ( -0.206 -1.562 0.793) 1.764 15.734 ( -0.716 -0.908 -0.238) 1.181 15.977 ( 0.757 8.009 0.046) 8.045 16.311 ( 3.436 -1.386 0.905) 3.814 16.548 ( 2.595 -1.066 -0.431) 2.838 16.619 ( 0.849 -4.866 -0.553) 4.970 16.938 ( 1.724 5.053 -0.485) 5.361 17.027 ( 0.610 -0.415 0.189) 0.762 17.295 ( 0.308 0.866 0.922) 1.302 17.318 ( 0.232 0.628 -0.141) 0.684 17.406 ( 2.003 -2.758 0.170) 3.413 17.533 ( -1.879 -4.164 -0.595) 4.607 17.840 ( 1.266 4.601 0.750) 4.831 18.059 ( 1.107 0.212 0.457) 1.217 18.075 ( -1.352 5.132 -0.210) 5.311 18.376 ( -2.215 6.102 -0.396) 6.503 18.626 ( 4.225 -5.839 0.604) 7.233 18.799 ( -2.276 0.311 -1.154) 2.570 18.902 ( 1.634 -1.121 -2.913) 3.523 19.018 ( -0.013 7.607 1.287) 7.715 19.189 ( 4.575 -4.175 1.481) 6.369 19.609 ( 1.006 0.476 6.409) 6.505 19.708 ( -3.133 -5.012 1.512) 6.101 19.904 ( -6.912 -5.701 -3.810) 9.736 25.892 ( -0.178 -3.121 3.718) 4.857 25.895 ( -0.020 -3.060 -3.576) 4.707 25.934 ( -0.339 2.628 -0.696) 2.740 26.113 ( -2.894 4.087 1.802) 5.323 26.478 ( -0.037 0.783 -0.070) 0.787 26.516 ( -0.571 0.032 0.035) 0.573 26.606 ( -0.654 1.130 0.802) 1.532 26.644 ( -2.437 -0.716 0.244) 2.552 26.692 ( -1.711 2.433 -0.301) 2.989 26.783 ( -1.827 1.130 -0.939) 2.344 26.890 ( -0.751 4.144 -0.192) 4.216 26.947 ( 2.282 4.790 -2.041) 5.684 27.005 ( 0.225 7.064 1.392) 7.203 27.114 ( -0.701 1.802 1.575) 2.494 27.220 ( 0.632 -3.496 -5.173) 6.276 27.288 ( 2.037 -0.286 -1.202) 2.383 27.336 ( -0.038 -0.661 0.481) 0.818 27.402 ( -2.115 -3.508 -3.593) 5.449 27.735 ( -3.880 12.041 -1.594) 12.751 27.823 ( 1.057 2.364 1.760) 3.131 28.038 ( -1.858 -4.921 -0.414) 5.276 28.397 ( 3.446 -1.242 0.182) 3.667 28.553 ( 2.908 0.433 -0.472) 2.978 28.679 ( -0.865 0.740 -0.562) 1.270 29.236 ( -2.828 -2.459 -6.157) 7.208 29.342 ( -0.237 -3.602 3.966) 5.363 29.380 ( -1.242 -2.028 2.494) 3.446 29.587 ( -2.232 -3.680 5.177) 6.733 30.303 ( -0.080 0.853 -1.820) 2.012 30.579 ( 2.917 -4.607 -1.103) 5.563 30.893 ( 10.544 2.280 -2.999) 11.197 31.183 ( -0.566 -6.844 5.023) 8.508 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 9.354 0.000) 9.354 1.580 ( -0.000 9.888 -0.000) 9.888 2.001 ( -0.000 15.533 0.000) 15.533 2.011 ( 0.000 12.730 -0.000) 12.730 2.235 ( 0.000 -1.766 -0.000) 1.766 2.254 ( -0.000 -3.217 0.000) 3.217 2.438 ( -0.000 4.795 -0.000) 4.795 2.445 ( 0.000 -1.868 0.000) 1.868 2.584 ( 0.000 2.223 -0.000) 2.223 2.634 ( 0.000 -2.150 -0.000) 2.150 2.721 ( 0.000 -6.704 -0.000) 6.704 2.781 ( 0.000 -0.567 0.000) 0.567 2.953 ( 0.000 0.857 -0.000) 0.857 3.005 ( 0.000 -3.308 0.000) 3.308 3.117 ( 0.000 -12.265 -0.000) 12.265 3.175 ( 0.000 -3.071 -0.000) 3.071 3.274 ( 0.000 9.631 -0.000) 9.631 3.380 ( -0.000 7.461 0.000) 7.461 3.401 ( 0.000 -6.949 0.000) 6.949 3.455 ( 0.000 -1.133 -0.000) 1.133 3.534 ( 0.000 7.663 0.000) 7.663 3.558 ( 0.000 2.646 -0.000) 2.646 3.650 ( 0.000 5.775 0.000) 5.775 3.710 ( 0.000 5.953 -0.000) 5.953 3.758 ( 0.000 -2.108 -0.000) 2.108 3.846 ( 0.000 -8.034 -0.000) 8.034 3.870 ( 0.000 3.095 0.000) 3.095 3.975 ( 0.000 -1.150 0.000) 1.150 4.092 ( 0.000 -1.649 -0.000) 1.649 4.170 ( 0.000 7.762 0.000) 7.762 4.215 ( 0.000 2.737 -0.000) 2.737 4.277 ( -0.000 -6.672 0.000) 6.672 4.640 ( 0.000 1.305 0.000) 1.305 4.772 ( 0.000 -1.248 0.000) 1.248 4.949 ( 0.000 0.454 -0.000) 0.454 5.048 ( 0.000 2.348 0.000) 2.348 5.108 ( -0.000 4.233 0.000) 4.233 5.114 ( 0.000 -1.441 -0.000) 1.441 5.214 ( 0.000 -7.245 0.000) 7.245 5.288 ( 0.000 -1.807 -0.000) 1.807 5.350 ( 0.000 -3.840 0.000) 3.840 5.545 ( 0.000 3.063 0.000) 3.063 5.553 ( 0.000 5.052 -0.000) 5.052 5.660 ( 0.000 0.641 -0.000) 0.641 5.726 ( 0.000 4.048 -0.000) 4.048 5.775 ( 0.000 -5.428 0.000) 5.428 5.876 ( 0.000 0.390 -0.000) 0.390 5.955 ( 0.000 -15.798 0.000) 15.798 6.064 ( 0.000 -1.061 0.000) 1.061 6.212 ( -0.000 3.306 -0.000) 3.306 6.220 ( 0.000 -9.048 0.000) 9.048 6.574 ( 0.000 -2.589 -0.000) 2.589 6.624 ( 0.000 3.471 -0.000) 3.471 6.809 ( 0.000 9.886 0.000) 9.886 6.860 ( 0.000 3.313 -0.000) 3.313 7.085 ( -0.000 2.164 0.000) 2.164 7.140 ( 0.000 -7.730 -0.000) 7.730 7.382 ( 0.000 9.419 0.000) 9.419 7.508 ( 0.000 -7.216 0.000) 7.216 7.629 ( 0.000 6.292 -0.000) 6.292 8.075 ( 0.000 -5.062 -0.000) 5.062 8.197 ( 0.000 -0.085 -0.000) 0.085 8.233 ( 0.000 0.683 -0.000) 0.683 8.269 ( 0.000 -4.848 -0.000) 4.848 8.497 ( 0.000 2.509 0.000) 2.509 8.562 ( 0.000 6.146 0.000) 6.146 8.794 ( 0.000 -1.211 -0.000) 1.211 8.955 ( 0.000 -2.653 0.000) 2.653 9.305 ( 0.000 3.714 -0.000) 3.714 9.393 ( 0.000 -1.305 -0.000) 1.305 9.493 ( 0.000 -1.938 0.000) 1.938 9.656 ( 0.000 -0.660 0.000) 0.660 9.819 ( 0.000 7.276 0.000) 7.276 9.873 ( 0.000 -1.089 0.000) 1.089 9.910 ( 0.000 -5.840 -0.000) 5.840 10.094 ( 0.000 -2.647 0.000) 2.647 10.873 ( 0.000 1.039 0.000) 1.039 10.988 ( 0.000 -1.728 0.000) 1.728 11.042 ( 0.000 0.707 -0.000) 0.707 11.231 ( 0.000 -2.573 -0.000) 2.573 11.395 ( 0.000 0.014 0.000) 0.014 11.484 ( 0.000 3.094 0.000) 3.094 11.714 ( 0.000 -6.292 -0.000) 6.292 11.793 ( 0.000 -5.716 -0.000) 5.716 12.414 ( 0.000 0.030 -0.000) 0.030 12.418 ( 0.000 -0.185 -0.000) 0.185 12.612 ( 0.000 0.484 -0.000) 0.484 12.631 ( 0.000 1.145 -0.000) 1.145 13.083 ( 0.000 -0.479 -0.000) 0.479 13.157 ( 0.000 -3.005 0.000) 3.005 13.308 ( 0.000 0.593 0.000) 0.593 13.317 ( 0.000 -0.877 -0.000) 0.877 14.196 ( 0.000 -0.247 0.000) 0.247 14.289 ( -0.000 3.307 -0.000) 3.307 14.311 ( 0.000 -2.322 0.000) 2.322 14.456 ( 0.000 -0.501 -0.000) 0.501 14.613 ( 0.000 4.509 0.000) 4.509 14.877 ( 0.000 -0.800 -0.000) 0.800 14.924 ( 0.000 1.485 0.000) 1.485 15.040 ( 0.000 0.350 -0.000) 0.350 15.686 ( 0.000 -1.765 -0.000) 1.765 15.726 ( 0.000 -0.976 0.000) 0.976 15.985 ( 0.000 9.011 0.000) 9.011 16.346 ( 0.000 -1.052 -0.000) 1.052 16.576 ( 0.000 -1.536 -0.000) 1.536 16.628 ( 0.000 -4.865 -0.000) 4.865 16.956 ( 0.000 5.063 0.000) 5.063 17.034 ( 0.000 -0.051 -0.000) 0.051 17.299 ( 0.000 0.580 0.000) 0.580 17.320 ( 0.000 0.588 0.000) 0.588 17.451 ( 0.000 -2.279 0.000) 2.279 17.493 ( 0.000 -5.527 0.000) 5.527 17.851 ( 0.000 5.335 0.000) 5.335 18.061 ( 0.000 5.264 -0.000) 5.264 18.073 ( 0.000 1.585 0.000) 1.585 18.350 ( 0.000 7.319 0.000) 7.319 18.674 ( 0.000 -6.728 0.000) 6.728 18.772 ( 0.000 0.436 -0.000) 0.436 18.920 ( 0.000 -1.253 -0.000) 1.253 19.019 ( 0.000 8.297 0.000) 8.297 19.227 ( 0.000 -1.503 0.000) 1.503 19.661 ( 0.000 -3.470 -0.000) 3.470 19.669 ( -0.000 -4.671 0.000) 4.671 19.802 ( 0.000 -6.233 0.000) 6.233 25.886 ( 0.000 -3.704 0.000) 3.704 25.899 ( 0.000 -2.185 -0.000) 2.185 25.931 ( 0.000 1.995 0.000) 1.995 26.087 ( 0.000 2.985 -0.000) 2.985 26.484 ( 0.000 0.601 0.000) 0.601 26.506 ( 0.000 -0.354 0.000) 0.354 26.602 ( 0.000 0.684 0.000) 0.684 26.616 ( 0.000 -0.217 -0.000) 0.217 26.669 ( 0.000 2.767 -0.000) 2.767 26.766 ( 0.000 0.181 -0.000) 0.181 26.883 ( 0.000 4.059 0.000) 4.059 26.976 ( 0.000 5.741 -0.000) 5.741 27.005 ( 0.000 6.503 0.000) 6.503 27.104 ( 0.000 1.848 -0.000) 1.848 27.224 ( 0.000 -3.934 0.000) 3.934 27.321 ( 0.000 -0.095 0.000) 0.095 27.332 ( 0.000 -0.543 -0.000) 0.543 27.374 ( 0.000 -3.856 0.000) 3.856 27.697 ( 0.000 11.601 -0.000) 11.601 27.833 ( 0.000 2.941 0.000) 2.941 28.017 ( 0.000 -4.498 -0.000) 4.498 28.418 ( 0.000 -4.472 -0.000) 4.472 28.621 ( 0.000 4.411 0.000) 4.411 28.645 ( -0.000 1.719 -0.000) 1.719 29.213 ( 0.000 1.310 -0.000) 1.310 29.284 ( 0.000 -4.798 0.000) 4.798 29.423 ( 0.000 -2.866 0.000) 2.866 29.560 ( 0.000 -8.011 -0.000) 8.011 30.304 ( 0.000 0.876 -0.000) 0.876 30.610 ( 0.000 -4.736 0.000) 4.736 31.037 ( 0.000 0.477 -0.000) 0.477 31.137 ( -0.000 -2.314 0.000) 2.314 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 28.820 0.000) 28.820 1.436 ( 0.000 29.405 0.000) 29.405 1.839 ( 0.000 -20.542 0.000) 20.542 1.889 ( 0.000 -6.624 0.000) 6.624 2.208 ( 0.000 5.352 0.000) 5.352 2.334 ( 0.000 -6.133 0.000) 6.133 2.450 ( 0.000 12.532 0.000) 12.532 2.472 ( 0.000 10.043 0.000) 10.043 2.488 ( 0.000 3.516 0.000) 3.516 2.564 ( 0.000 13.982 0.000) 13.982 2.756 ( 0.000 -3.789 0.000) 3.789 2.807 ( 0.000 1.032 0.000) 1.032 2.886 ( 0.000 -2.825 0.000) 2.825 2.996 ( 0.000 -0.190 0.000) 0.190 3.069 ( 0.000 -5.257 0.000) 5.257 3.126 ( 0.000 -6.740 0.000) 6.740 3.233 ( 0.000 -1.063 0.000) 1.063 3.257 ( 0.000 -0.276 0.000) 0.276 3.326 ( 0.000 -1.997 0.000) 1.997 3.463 ( 0.000 5.353 0.000) 5.353 3.477 ( 0.000 -14.706 0.000) 14.706 3.545 ( 0.000 6.669 0.000) 6.669 3.584 ( 0.000 -8.213 0.000) 8.213 3.697 ( 0.000 -5.423 0.000) 5.423 3.698 ( 0.000 3.648 0.000) 3.648 3.806 ( 0.000 -6.835 0.000) 6.835 3.866 ( 0.000 0.531 0.000) 0.531 3.966 ( 0.000 -7.818 0.000) 7.818 4.247 ( 0.000 9.284 0.000) 9.284 4.417 ( 0.000 -6.576 0.000) 6.576 4.606 ( 0.000 10.498 0.000) 10.498 4.707 ( 0.000 11.910 0.000) 11.910 4.801 ( 0.000 13.942 0.000) 13.942 4.806 ( 0.000 -8.602 0.000) 8.602 4.922 ( 0.000 -7.061 0.000) 7.061 5.009 ( 0.000 12.322 0.000) 12.322 5.075 ( 0.000 -10.344 0.000) 10.344 5.113 ( 0.000 6.576 0.000) 6.576 5.204 ( 0.000 9.556 0.000) 9.556 5.225 ( 0.000 -11.110 0.000) 11.110 5.338 ( 0.000 -9.359 0.000) 9.359 5.404 ( 0.000 -10.392 0.000) 10.392 5.547 ( 0.000 8.548 0.000) 8.548 5.764 ( 0.000 -13.204 0.000) 13.204 5.929 ( 0.000 4.351 0.000) 4.351 5.938 ( 0.000 2.949 0.000) 2.949 5.998 ( 0.000 -0.390 0.000) 0.390 6.013 ( 0.000 -0.976 0.000) 0.976 6.213 ( 0.000 0.762 0.000) 0.762 6.230 ( 0.000 1.621 0.000) 1.621 6.296 ( 0.000 -2.336 0.000) 2.336 6.299 ( 0.000 -0.226 0.000) 0.226 6.660 ( 0.000 3.763 0.000) 3.763 6.723 ( 0.000 -3.104 0.000) 3.104 6.977 ( 0.000 8.525 0.000) 8.525 7.133 ( 0.000 4.127 0.000) 4.127 7.135 ( 0.000 -4.413 0.000) 4.413 7.266 ( 0.000 -6.059 0.000) 6.059 7.556 ( 0.000 4.420 0.000) 4.420 7.610 ( 0.000 3.399 0.000) 3.399 7.850 ( 0.000 -3.989 0.000) 3.989 7.892 ( 0.000 -4.902 0.000) 4.902 8.135 ( 0.000 1.409 0.000) 1.409 8.181 ( 0.000 -2.213 0.000) 2.213 8.509 ( 0.000 7.502 0.000) 7.502 8.618 ( 0.000 4.565 0.000) 4.565 8.659 ( 0.000 -6.180 0.000) 6.180 8.687 ( 0.000 -2.280 0.000) 2.280 9.377 ( 0.000 3.558 0.000) 3.558 9.483 ( 0.000 -6.257 0.000) 6.257 9.589 ( 0.000 4.964 0.000) 4.964 9.719 ( 0.000 -6.610 0.000) 6.610 9.770 ( 0.000 8.286 0.000) 8.286 9.928 ( 0.000 5.273 0.000) 5.273 9.936 ( 0.000 -6.346 0.000) 6.346 10.041 ( 0.000 -5.849 0.000) 5.849 10.869 ( 0.000 0.722 0.000) 0.722 10.879 ( 0.000 -0.188 0.000) 0.188 11.197 ( 0.000 1.937 0.000) 1.937 11.230 ( 0.000 -1.322 0.000) 1.322 11.382 ( 0.000 2.144 0.000) 2.144 11.498 ( 0.000 -8.237 0.000) 8.237 11.581 ( 0.000 4.482 0.000) 4.482 11.691 ( 0.000 -5.791 0.000) 5.791 12.387 ( 0.000 0.586 0.000) 0.586 12.402 ( 0.000 -0.747 0.000) 0.747 12.662 ( 0.000 1.383 0.000) 1.383 12.676 ( 0.000 0.242 0.000) 0.242 13.105 ( 0.000 0.725 0.000) 0.725 13.143 ( 0.000 -2.868 0.000) 2.868 13.339 ( 0.000 1.068 0.000) 1.068 13.363 ( 0.000 -1.094 0.000) 1.094 14.249 ( 0.000 3.075 0.000) 3.075 14.313 ( 0.000 -3.031 0.000) 3.031 14.341 ( 0.000 4.453 0.000) 4.453 14.440 ( 0.000 -4.578 0.000) 4.578 14.767 ( 0.000 10.338 0.000) 10.338 14.939 ( 0.000 1.053 0.000) 1.053 14.953 ( 0.000 -2.897 0.000) 2.897 14.999 ( 0.000 -8.568 0.000) 8.568 15.708 ( 0.000 1.698 0.000) 1.698 15.742 ( 0.000 -1.383 0.000) 1.383 16.014 ( 0.000 4.586 0.000) 4.586 16.108 ( 0.000 -4.165 0.000) 4.165 16.476 ( 0.000 1.023 0.000) 1.023 16.513 ( 0.000 -2.584 0.000) 2.584 16.929 ( 0.000 3.376 0.000) 3.376 16.985 ( 0.000 -1.940 0.000) 1.940 17.316 ( 0.000 0.546 0.000) 0.546 17.334 ( 0.000 -0.448 0.000) 0.448 17.400 ( 0.000 4.385 0.000) 4.385 17.498 ( 0.000 -3.890 0.000) 3.890 17.854 ( 0.000 6.639 0.000) 6.639 17.972 ( 0.000 -4.140 0.000) 4.140 18.210 ( 0.000 5.042 0.000) 5.042 18.338 ( 0.000 -6.393 0.000) 6.393 18.557 ( 0.000 4.890 0.000) 4.890 18.663 ( 0.000 -4.752 0.000) 4.752 18.919 ( 0.000 1.174 0.000) 1.174 18.930 ( 0.000 0.344 0.000) 0.344 19.311 ( 0.000 14.492 0.000) 14.492 19.598 ( 0.000 -11.990 0.000) 11.990 19.861 ( 0.000 4.633 0.000) 4.633 19.970 ( 0.000 -5.343 0.000) 5.343 25.832 ( 0.000 -1.298 0.000) 1.298 25.841 ( 0.000 -2.349 0.000) 2.349 26.055 ( 0.000 6.128 0.000) 6.128 26.197 ( 0.000 -7.184 0.000) 7.184 26.534 ( 0.000 1.818 0.000) 1.818 26.561 ( 0.000 -0.577 0.000) 0.577 26.666 ( 0.000 0.145 0.000) 0.145 26.685 ( 0.000 -1.409 0.000) 1.409 26.826 ( 0.000 2.399 0.000) 2.399 26.867 ( 0.000 -1.319 0.000) 1.319 26.944 ( 0.000 1.446 0.000) 1.446 26.961 ( 0.000 -0.314 0.000) 0.314 27.137 ( 0.000 6.133 0.000) 6.133 27.223 ( 0.000 -2.431 0.000) 2.431 27.235 ( 0.000 5.927 0.000) 5.927 27.290 ( 0.000 1.176 0.000) 1.176 27.311 ( 0.000 -0.320 0.000) 0.320 27.362 ( 0.000 -4.975 0.000) 4.975 27.839 ( 0.000 9.767 0.000) 9.767 28.030 ( 0.000 -7.324 0.000) 7.324 28.179 ( 0.000 3.295 0.000) 3.295 28.270 ( 0.000 -5.084 0.000) 5.084 28.318 ( 0.000 6.751 0.000) 6.751 28.462 ( 0.000 -6.445 0.000) 6.445 29.196 ( 0.000 1.068 0.000) 1.068 29.244 ( 0.000 -3.678 0.000) 3.678 29.702 ( 0.000 3.594 0.000) 3.594 29.780 ( 0.000 -3.777 0.000) 3.777 30.440 ( 0.000 -0.014 0.000) 0.014 30.458 ( 0.000 -1.563 0.000) 1.563 30.580 ( 0.000 0.960 0.000) 0.960 30.598 ( 0.000 -0.794 0.000) 0.794 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 9.833 22.672 5.066) 25.226 1.476 ( 8.384 21.439 0.369) 23.023 2.022 ( 12.688 -8.259 2.270) 15.308 2.055 ( 15.904 -13.014 0.870) 20.569 2.164 ( -2.861 1.907 0.555) 3.483 2.235 ( -3.284 -4.418 0.413) 5.521 2.433 ( -0.864 9.988 1.823) 10.189 2.472 ( -0.157 15.477 -5.385) 16.388 2.550 ( 1.033 -1.816 2.878) 3.556 2.672 ( 4.301 3.925 -2.037) 6.169 2.727 ( -2.266 -0.934 -0.403) 2.484 2.788 ( -0.494 -1.862 4.716) 5.095 2.888 ( 0.437 0.767 -2.214) 2.384 2.936 ( -1.768 5.520 -1.197) 5.919 3.041 ( -7.127 2.442 7.959) 10.959 3.115 ( -0.654 -6.351 -2.896) 7.010 3.252 ( 4.178 1.126 1.653) 4.632 3.297 ( 2.472 -2.443 -0.342) 3.492 3.332 ( 0.143 -2.092 5.078) 5.494 3.474 ( 0.333 0.916 -2.692) 2.863 3.518 ( 0.859 -0.643 -0.735) 1.301 3.545 ( 2.588 -1.076 -4.029) 4.908 3.582 ( -2.324 -3.173 -0.911) 4.037 3.644 ( 2.911 -6.391 -2.508) 7.457 3.754 ( 1.650 -0.712 -1.084) 2.099 3.828 ( 4.374 -5.907 0.845) 7.399 3.859 ( -0.486 0.806 -3.346) 3.475 3.950 ( -1.574 -6.882 -5.135) 8.729 4.202 ( -4.058 6.131 -0.354) 7.361 4.325 ( -6.622 -4.654 -0.461) 8.107 4.579 ( -8.228 9.731 3.006) 13.093 4.653 ( -3.402 6.133 0.456) 7.028 4.729 ( -0.359 5.275 0.361) 5.299 4.866 ( -3.968 -5.955 1.803) 7.380 4.901 ( 3.377 -0.680 1.202) 3.648 5.002 ( 0.905 2.718 7.673) 8.190 5.038 ( -3.586 3.784 -4.058) 6.606 5.145 ( 0.689 6.258 -0.403) 6.308 5.226 ( 2.885 0.197 -0.779) 2.995 5.282 ( -1.197 -7.456 3.936) 8.516 5.362 ( 3.792 -3.033 -1.560) 5.100 5.404 ( 1.222 -4.415 1.039) 4.698 5.506 ( -1.443 2.066 -5.055) 5.648 5.676 ( -6.774 -13.035 -2.364) 14.879 5.873 ( -4.816 3.625 0.347) 6.038 5.948 ( -1.970 -1.320 0.813) 2.507 5.998 ( -1.691 2.980 0.522) 3.466 6.018 ( -1.436 1.052 -2.768) 3.291 6.103 ( -5.059 -1.911 -2.015) 5.771 6.132 ( -6.882 -2.550 2.518) 7.759 6.273 ( 0.169 5.310 -0.500) 5.336 6.362 ( 2.600 -3.157 -0.174) 4.093 6.670 ( 1.061 3.994 -0.783) 4.206 6.743 ( 2.180 -3.244 -1.915) 4.352 6.964 ( -0.829 8.407 -1.833) 8.644 7.118 ( -1.541 -3.135 1.941) 3.997 7.152 ( 1.382 4.764 3.353) 5.987 7.300 ( 2.154 -7.157 2.501) 7.881 7.586 ( 2.758 5.702 3.721) 7.346 7.638 ( 2.428 5.316 0.270) 5.851 7.857 ( 1.642 -5.123 -1.213) 5.514 7.910 ( 2.861 -6.895 -4.041) 8.489 8.165 ( 2.399 0.927 -2.171) 3.366 8.194 ( 0.989 -1.439 -0.564) 1.835 8.556 ( 2.719 6.414 1.397) 7.105 8.654 ( 1.041 -0.178 -0.472) 1.157 8.688 ( 2.621 -1.091 2.376) 3.702 8.741 ( 6.227 -3.546 -0.076) 7.167 9.395 ( 1.554 3.127 -0.147) 3.495 9.478 ( -0.641 -2.847 1.943) 3.506 9.591 ( -1.260 3.817 -2.339) 4.651 9.697 ( -2.331 -2.699 -4.941) 6.094 9.778 ( 1.539 0.991 2.229) 2.885 9.850 ( -5.072 -1.194 -1.644) 5.464 9.958 ( -0.096 0.497 4.268) 4.298 10.012 ( -1.150 -3.254 1.836) 3.909 10.880 ( 0.926 1.192 0.082) 1.512 10.904 ( 1.966 -1.194 -1.837) 2.943 11.171 ( -3.033 0.763 1.899) 3.659 11.189 ( -2.088 -0.825 1.611) 2.764 11.406 ( 1.612 2.521 -1.821) 3.503 11.519 ( 1.627 -7.474 -2.185) 7.955 11.578 ( -0.219 3.834 -0.642) 3.893 11.683 ( -0.674 -5.740 -0.908) 5.851 12.391 ( 0.407 0.681 1.099) 1.355 12.406 ( 0.449 -0.674 0.174) 0.829 12.654 ( -0.775 1.293 0.040) 1.508 12.669 ( -0.695 0.026 0.600) 0.919 13.097 ( -0.752 0.872 0.415) 1.224 13.135 ( -0.782 -2.568 0.100) 2.686 13.321 ( -1.234 1.108 0.108) 1.662 13.345 ( -1.525 -1.109 0.479) 1.946 14.241 ( -0.747 2.520 -1.025) 2.821 14.291 ( -1.484 -1.529 0.740) 2.255 14.356 ( 0.769 2.795 -1.545) 3.285 14.437 ( -0.328 -3.906 -0.461) 3.946 14.761 ( -0.656 9.207 0.027) 9.230 14.939 ( -4.350 -5.470 -0.324) 6.996 14.941 ( 0.144 0.799 0.966) 1.262 14.971 ( 1.525 -2.501 0.149) 2.933 15.697 ( -0.798 1.269 0.814) 1.706 15.729 ( -1.059 -1.415 0.121) 1.772 16.067 ( 4.144 5.051 -0.309) 6.541 16.163 ( 4.744 -3.907 -0.068) 6.146 16.493 ( 1.595 0.668 0.274) 1.751 16.525 ( 0.981 -2.405 0.421) 2.631 16.958 ( 2.455 2.233 0.326) 3.335 16.995 ( 1.039 -1.295 0.332) 1.693 17.311 ( -0.322 0.521 1.329) 1.463 17.330 ( -0.141 -0.907 1.021) 1.373 17.391 ( -0.850 4.190 -2.175) 4.797 17.486 ( -1.231 -4.024 -1.742) 4.555 17.894 ( 3.172 5.664 1.112) 6.586 17.995 ( 2.071 -3.476 0.840) 4.132 18.214 ( 0.429 6.497 -0.100) 6.512 18.365 ( 2.446 -6.984 -0.942) 7.460 18.564 ( 0.565 5.494 1.389) 5.695 18.695 ( 2.408 -6.629 -0.634) 7.082 18.926 ( 0.170 1.871 0.397) 1.920 18.953 ( 3.079 -0.837 0.582) 3.243 19.305 ( -0.557 13.779 -0.541) 13.801 19.579 ( -1.771 -11.461 0.296) 11.600 19.785 ( -6.547 5.399 1.268) 8.580 19.908 ( -5.782 -6.026 -0.399) 8.361 25.834 ( 0.235 -1.469 0.102) 1.491 25.839 ( -0.159 -2.060 -0.512) 2.129 26.041 ( -1.245 5.581 0.390) 5.731 26.163 ( -2.920 -5.613 1.215) 6.443 26.520 ( -1.172 1.477 0.251) 1.902 26.541 ( -1.611 -0.297 0.866) 1.853 26.651 ( -1.269 0.353 1.070) 1.697 26.668 ( -1.705 -1.319 0.301) 2.176 26.792 ( -2.043 3.657 -0.362) 4.204 26.847 ( -2.292 -1.442 0.026) 2.707 26.971 ( 2.445 2.051 -2.319) 3.945 26.992 ( 2.102 0.650 -1.225) 2.519 27.143 ( 0.130 5.269 1.888) 5.599 27.184 ( -3.602 4.343 -1.556) 5.853 27.213 ( -1.099 -0.102 3.474) 3.645 27.265 ( -0.551 1.098 -6.365) 6.482 27.302 ( -0.341 -1.315 -1.715) 2.188 27.366 ( -0.569 -4.051 -4.204) 5.866 27.852 ( 0.465 5.045 -0.339) 5.077 27.964 ( -3.593 -4.682 -1.200) 6.023 28.124 ( -4.295 10.447 0.972) 11.337 28.300 ( 3.262 -2.804 3.005) 5.248 28.460 ( 4.736 -2.682 0.782) 5.499 28.507 ( 8.339 -4.707 4.648) 10.644 29.201 ( 0.608 -0.896 -7.493) 7.571 29.218 ( -1.810 -2.681 -5.687) 6.543 29.609 ( -9.947 2.718 6.906) 12.411 29.650 ( -8.406 -1.201 5.217) 9.966 30.360 ( -2.139 2.309 -1.797) 3.624 30.426 ( 0.578 -3.906 -1.527) 4.233 30.744 ( 11.671 3.783 0.028) 12.269 30.849 ( 14.143 -6.765 2.110) 15.818 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 10.471 17.314 4.900) 20.819 1.741 ( 12.119 9.388 1.555) 15.408 2.107 ( 0.582 1.452 1.905) 2.465 2.158 ( 1.297 -2.739 -1.502) 3.383 2.269 ( 2.428 6.183 -1.432) 6.795 2.402 ( 11.076 -10.394 4.296) 15.785 2.438 ( -3.326 -0.013 4.893) 5.916 2.472 ( 3.768 6.066 2.505) 7.568 2.534 ( -3.157 1.374 -7.753) 8.483 2.611 ( -0.905 -2.128 -2.011) 3.064 2.677 ( -3.244 -0.944 0.367) 3.398 2.752 ( -1.600 -7.373 2.788) 8.043 2.870 ( -5.600 5.406 3.039) 8.356 2.907 ( -1.000 -0.555 -3.751) 3.922 2.980 ( -0.316 0.307 -2.711) 2.747 3.063 ( -4.328 -5.902 -0.432) 7.332 3.306 ( -0.635 -1.605 5.981) 6.225 3.339 ( 0.570 -2.743 5.226) 5.930 3.414 ( 9.318 9.908 2.472) 13.824 3.472 ( 2.690 2.985 -4.133) 5.764 3.562 ( 6.147 3.437 -1.567) 7.215 3.602 ( 7.936 5.626 -5.194) 11.027 3.634 ( 3.349 -3.405 -6.520) 8.082 3.728 ( 0.637 -0.727 2.858) 3.017 3.773 ( 1.068 8.908 0.168) 8.973 3.869 ( -1.268 -2.512 -0.413) 2.844 3.900 ( 0.666 -2.319 0.337) 2.436 3.962 ( 4.453 -7.845 -4.974) 10.302 4.118 ( -3.807 0.863 0.164) 3.907 4.231 ( 1.623 -7.591 -1.976) 8.010 4.408 ( -7.273 11.479 2.777) 13.870 4.528 ( -7.794 3.690 -0.450) 8.635 4.731 ( -1.178 2.403 0.045) 2.676 4.776 ( -8.778 -0.754 0.919) 8.858 4.834 ( -9.314 1.238 0.590) 9.414 4.969 ( -2.545 -5.755 2.206) 6.668 5.034 ( 2.330 -0.644 3.214) 4.022 5.140 ( -2.220 -2.836 -1.471) 3.891 5.213 ( 3.721 7.299 1.227) 8.284 5.328 ( 0.727 -4.017 3.834) 5.600 5.344 ( -1.841 2.561 0.655) 3.221 5.453 ( -1.329 -11.165 1.465) 11.339 5.551 ( 4.569 0.173 -6.187) 7.693 5.605 ( 2.726 -5.604 -5.799) 8.513 5.771 ( -4.991 3.907 0.056) 6.338 5.856 ( -5.603 -3.440 0.999) 6.650 5.894 ( -5.874 3.922 2.555) 7.511 5.931 ( -5.824 4.503 -3.577) 8.184 6.006 ( -4.531 -6.304 3.362) 8.460 6.057 ( -2.503 -6.442 -3.403) 7.704 6.328 ( 4.471 7.774 -0.066) 8.968 6.448 ( 5.019 -3.935 0.823) 6.430 6.700 ( 1.866 5.207 -1.080) 5.636 6.811 ( 4.579 -4.379 -3.406) 7.193 6.948 ( -0.782 6.820 -0.504) 6.883 7.072 ( -3.220 -2.828 3.165) 5.328 7.175 ( 0.726 5.451 2.250) 5.941 7.325 ( 0.417 -8.120 1.573) 8.281 7.611 ( -0.367 9.507 4.629) 10.581 7.708 ( 3.579 3.848 -0.821) 5.319 7.914 ( 3.679 -3.902 -0.567) 5.393 8.008 ( 5.727 -9.367 -3.375) 11.486 8.215 ( 2.425 0.176 -2.206) 3.283 8.219 ( 1.547 -0.284 -1.721) 2.332 8.591 ( 0.547 5.613 1.489) 5.832 8.678 ( 1.792 -0.168 -0.778) 1.961 8.722 ( 1.021 3.228 1.759) 3.815 8.850 ( 3.082 -6.833 1.590) 7.663 9.415 ( -0.856 2.524 0.401) 2.696 9.432 ( -3.796 2.813 -0.928) 4.815 9.532 ( -2.728 2.519 -0.968) 3.838 9.639 ( -2.490 -5.927 -2.274) 6.819 9.800 ( 0.281 -0.412 -1.612) 1.688 9.816 ( 1.601 -1.820 0.514) 2.478 9.948 ( -0.485 3.316 3.571) 4.897 10.015 ( 0.649 -3.291 1.685) 3.754 10.896 ( 0.588 1.741 0.235) 1.852 10.936 ( 1.031 -2.061 -1.348) 2.670 11.107 ( -2.588 2.185 0.707) 3.460 11.166 ( -0.650 -2.978 1.861) 3.571 11.429 ( 0.698 3.517 -1.244) 3.795 11.543 ( 0.850 -4.235 -2.644) 5.064 11.573 ( -0.441 0.645 0.400) 0.878 11.668 ( -0.677 -5.744 -0.898) 5.853 12.403 ( 0.714 0.576 1.015) 1.368 12.416 ( 0.343 -0.517 0.072) 0.624 12.636 ( -0.850 1.030 0.090) 1.339 12.652 ( -0.950 -0.217 0.735) 1.221 13.082 ( -0.544 0.745 0.392) 1.003 13.115 ( -1.079 -2.230 -0.378) 2.506 13.307 ( -0.198 0.293 0.613) 0.707 13.318 ( -0.895 -0.597 0.198) 1.094 14.223 ( -0.877 1.837 -0.786) 2.182 14.266 ( -0.880 -1.998 0.423) 2.224 14.362 ( -0.051 3.010 -1.158) 3.226 14.429 ( -0.374 -2.872 -0.617) 2.961 14.743 ( -0.890 7.076 0.127) 7.133 14.864 ( -2.509 -3.462 0.560) 4.312 14.955 ( 0.767 1.843 0.312) 2.020 15.002 ( 1.260 -2.503 0.186) 2.808 15.683 ( -0.534 0.831 0.471) 1.094 15.709 ( -0.767 -1.356 0.053) 1.558 16.141 ( 2.843 6.909 -0.194) 7.474 16.256 ( 3.844 -3.994 0.082) 5.544 16.528 ( 1.501 -0.438 0.388) 1.611 16.543 ( 0.740 -2.108 0.409) 2.271 17.007 ( 2.081 1.568 0.024) 2.605 17.022 ( 1.399 -0.207 -0.129) 1.420 17.313 ( 0.561 0.899 2.066) 2.321 17.341 ( 1.380 -1.395 1.056) 2.228 17.369 ( -1.193 2.608 -2.471) 3.786 17.448 ( -2.473 -4.032 -1.789) 5.057 17.950 ( 2.052 5.292 1.051) 5.772 18.038 ( 1.821 -2.657 0.696) 3.296 18.228 ( 0.925 9.001 -0.171) 9.050 18.415 ( 2.177 -6.851 -1.571) 7.358 18.577 ( 0.643 5.515 1.880) 5.862 18.724 ( 0.356 -6.684 -0.423) 6.707 18.940 ( 1.250 4.227 -0.097) 4.409 19.036 ( 4.438 -4.339 0.690) 6.245 19.294 ( -0.344 11.794 -0.487) 11.809 19.539 ( -1.952 -10.284 0.046) 10.468 19.658 ( -4.943 3.780 2.051) 6.553 19.769 ( -7.276 -6.338 -0.883) 9.690 25.834 ( -0.189 -1.445 0.083) 1.460 25.840 ( 0.277 -1.863 -0.517) 1.954 26.015 ( -1.104 4.595 0.290) 4.735 26.106 ( -2.323 -3.430 1.044) 4.272 26.497 ( -0.807 0.970 0.011) 1.262 26.513 ( -1.112 -0.413 0.126) 1.193 26.627 ( -0.964 0.295 0.858) 1.324 26.632 ( -1.555 -0.336 0.515) 1.672 26.752 ( -1.993 2.814 0.082) 3.449 26.793 ( -2.557 -0.809 -0.197) 2.689 27.013 ( 0.717 5.375 -1.980) 5.773 27.034 ( 3.008 2.655 -2.748) 4.863 27.120 ( -1.406 2.776 3.403) 4.611 27.156 ( -0.535 -0.813 -1.693) 1.953 27.197 ( -0.185 4.146 0.847) 4.236 27.271 ( 0.894 -2.466 -2.626) 3.711 27.296 ( -0.097 -0.623 -1.794) 1.902 27.342 ( -1.542 -3.008 -2.837) 4.413 27.845 ( -0.756 2.750 0.338) 2.872 27.922 ( -0.967 -4.362 -0.237) 4.474 28.058 ( -2.296 13.681 0.808) 13.896 28.304 ( -1.520 -8.382 1.287) 8.615 28.589 ( 7.290 3.081 2.434) 8.281 28.660 ( 5.050 -2.751 2.329) 6.204 29.185 ( 0.184 -0.201 -11.139) 11.143 29.245 ( 3.622 -4.928 -7.809) 9.919 29.400 ( -9.641 3.379 9.724) 14.104 29.492 ( -7.902 -4.890 8.015) 12.272 30.353 ( 0.607 3.984 -1.475) 4.292 30.462 ( 2.052 -5.927 -1.198) 6.385 30.954 ( 8.516 3.501 -0.594) 9.227 31.047 ( 5.467 -5.530 2.057) 8.044 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 9.929 0.000) 9.929 1.823 ( 0.000 8.847 -0.000) 8.847 2.180 ( 0.000 -0.713 0.000) 0.713 2.182 ( -0.000 -0.469 -0.000) 0.469 2.301 ( -0.000 8.164 0.000) 8.164 2.308 ( 0.000 11.405 -0.000) 11.405 2.416 ( 0.000 -0.300 -0.000) 0.300 2.453 ( 0.000 -7.948 -0.000) 7.948 2.548 ( -0.000 2.652 0.000) 2.652 2.631 ( 0.000 -0.134 -0.000) 0.134 2.724 ( -0.000 4.199 -0.000) 4.199 2.751 ( 0.000 -1.075 0.000) 1.075 2.856 ( 0.000 -9.207 -0.000) 9.207 2.865 ( 0.000 -7.613 -0.000) 7.613 2.941 ( 0.000 -3.678 -0.000) 3.678 2.983 ( -0.000 -9.505 0.000) 9.505 3.292 ( 0.000 -0.387 -0.000) 0.387 3.327 ( 0.000 -2.715 0.000) 2.715 3.526 ( 0.000 5.276 -0.000) 5.276 3.585 ( 0.000 0.581 -0.000) 0.581 3.629 ( 0.000 3.811 0.000) 3.811 3.675 ( 0.000 -0.430 -0.000) 0.430 3.699 ( -0.000 2.526 0.000) 2.526 3.760 ( 0.000 3.590 -0.000) 3.590 3.784 ( 0.000 5.512 0.000) 5.512 3.836 ( -0.000 2.477 -0.000) 2.477 3.896 ( 0.000 -0.063 0.000) 0.063 3.990 ( 0.000 -4.846 -0.000) 4.846 4.158 ( 0.000 13.588 -0.000) 13.588 4.244 ( 0.000 3.687 -0.000) 3.687 4.355 ( 0.000 9.155 0.000) 9.155 4.389 ( 0.000 11.847 0.000) 11.847 4.629 ( 0.000 -0.671 -0.000) 0.671 4.660 ( -0.000 -7.545 -0.000) 7.545 4.816 ( 0.000 -16.365 -0.000) 16.365 4.871 ( -0.000 -8.637 0.000) 8.637 5.069 ( 0.000 -0.535 0.000) 0.535 5.143 ( -0.000 -5.201 -0.000) 5.201 5.230 ( 0.000 6.232 -0.000) 6.232 5.313 ( 0.000 4.051 0.000) 4.051 5.371 ( 0.000 0.508 0.000) 0.508 5.423 ( 0.000 -13.336 -0.000) 13.336 5.614 ( 0.000 3.109 -0.000) 3.109 5.662 ( 0.000 -1.044 0.000) 1.044 5.702 ( 0.000 2.330 0.000) 2.330 5.787 ( 0.000 -3.950 -0.000) 3.950 5.834 ( 0.000 3.520 -0.000) 3.520 5.852 ( 0.000 6.087 0.000) 6.087 5.960 ( 0.000 -6.921 -0.000) 6.921 6.027 ( 0.000 -9.208 -0.000) 9.208 6.380 ( 0.000 8.314 -0.000) 8.314 6.506 ( 0.000 -4.106 -0.000) 4.106 6.726 ( 0.000 6.369 -0.000) 6.369 6.877 ( 0.000 -5.725 0.000) 5.725 6.944 ( 0.000 4.715 0.000) 4.715 7.016 ( 0.000 -1.962 0.000) 1.962 7.182 ( 0.000 5.940 -0.000) 5.940 7.328 ( 0.000 -8.417 0.000) 8.417 7.604 ( 0.000 10.655 0.000) 10.655 7.742 ( 0.000 1.090 -0.000) 1.090 7.964 ( 0.000 -2.003 -0.000) 2.003 8.073 ( 0.000 -8.795 -0.000) 8.795 8.239 ( 0.000 0.300 -0.000) 0.300 8.243 ( 0.000 0.032 0.000) 0.032 8.591 ( 0.000 6.026 0.000) 6.026 8.702 ( 0.000 2.257 0.000) 2.257 8.737 ( 0.000 0.155 0.000) 0.155 8.870 ( 0.000 -5.914 -0.000) 5.914 9.372 ( 0.000 2.740 -0.000) 2.740 9.393 ( 0.000 1.066 0.000) 1.066 9.514 ( 0.000 3.220 0.000) 3.220 9.620 ( 0.000 -4.577 -0.000) 4.577 9.809 ( 0.000 -1.401 0.000) 1.401 9.832 ( 0.000 -2.040 0.000) 2.040 9.944 ( 0.000 4.222 0.000) 4.222 10.023 ( 0.000 -3.672 0.000) 3.672 10.902 ( 0.000 1.721 0.000) 1.721 10.944 ( 0.000 -2.196 0.000) 2.196 11.081 ( 0.000 3.117 -0.000) 3.117 11.160 ( 0.000 -3.933 -0.000) 3.933 11.435 ( 0.000 3.964 -0.000) 3.964 11.558 ( 0.000 4.035 -0.000) 4.035 11.560 ( -0.000 -7.508 0.000) 7.508 11.661 ( 0.000 -5.865 -0.000) 5.865 12.415 ( 0.000 0.058 0.000) 0.058 12.416 ( -0.000 -0.073 -0.000) 0.073 12.627 ( 0.000 0.828 -0.000) 0.828 12.641 ( 0.000 -0.249 -0.000) 0.249 13.078 ( 0.000 0.261 -0.000) 0.261 13.101 ( 0.000 -1.963 -0.000) 1.963 13.306 ( 0.000 -0.064 0.000) 0.064 13.310 ( 0.000 -0.260 -0.000) 0.260 14.213 ( 0.000 1.634 0.000) 1.634 14.258 ( 0.000 -2.477 -0.000) 2.477 14.360 ( 0.000 3.376 0.000) 3.376 14.424 ( 0.000 -2.485 -0.000) 2.485 14.734 ( 0.000 6.254 -0.000) 6.254 14.840 ( 0.000 -3.259 -0.000) 3.259 14.964 ( 0.000 2.215 0.000) 2.215 15.015 ( 0.000 -2.409 -0.000) 2.409 15.678 ( 0.000 0.669 -0.000) 0.669 15.701 ( 0.000 -1.286 0.000) 1.286 16.170 ( 0.000 7.803 0.000) 7.803 16.296 ( 0.000 -4.066 -0.000) 4.066 16.544 ( 0.000 -1.031 -0.000) 1.031 16.551 ( 0.000 -2.046 -0.000) 2.046 17.029 ( 0.000 1.628 0.000) 1.628 17.038 ( 0.000 0.267 -0.000) 0.267 17.329 ( 0.000 2.375 0.000) 2.375 17.341 ( 0.000 1.523 -0.000) 1.523 17.391 ( -0.000 -3.139 -0.000) 3.139 17.393 ( 0.000 -3.572 0.000) 3.572 17.970 ( 0.000 5.445 -0.000) 5.445 18.057 ( 0.000 -2.430 0.000) 2.430 18.240 ( 0.000 10.036 0.000) 10.036 18.438 ( 0.000 -5.741 -0.000) 5.741 18.585 ( 0.000 4.482 0.000) 4.482 18.724 ( 0.000 -5.602 -0.000) 5.602 18.958 ( 0.000 5.377 -0.000) 5.377 19.088 ( 0.000 -4.834 0.000) 4.834 19.292 ( 0.000 10.163 0.000) 10.163 19.517 ( 0.000 -9.703 0.000) 9.703 19.618 ( 0.000 0.234 0.000) 0.234 19.674 ( 0.000 -4.850 -0.000) 4.850 25.832 ( 0.000 -1.144 0.000) 1.144 25.843 ( 0.000 -2.065 -0.000) 2.065 26.003 ( 0.000 4.138 -0.000) 4.138 26.082 ( 0.000 -2.760 -0.000) 2.760 26.492 ( 0.000 0.318 0.000) 0.318 26.499 ( 0.000 -0.296 -0.000) 0.296 26.615 ( 0.000 0.153 -0.000) 0.153 26.618 ( 0.000 0.196 0.000) 0.196 26.728 ( 0.000 2.515 -0.000) 2.515 26.765 ( 0.000 -0.862 -0.000) 0.862 27.017 ( 0.000 7.549 -0.000) 7.549 27.085 ( -0.000 2.599 0.000) 2.599 27.093 ( 0.000 2.152 -0.000) 2.152 27.150 ( 0.000 -3.277 -0.000) 3.277 27.197 ( 0.000 5.596 0.000) 5.596 27.282 ( 0.000 -3.065 -0.000) 3.065 27.307 ( -0.000 -1.230 -0.000) 1.230 27.312 ( 0.000 -2.396 0.000) 2.396 27.836 ( 0.000 3.050 0.000) 3.050 27.913 ( 0.000 -4.600 -0.000) 4.600 28.035 ( 0.000 13.772 -0.000) 13.772 28.285 ( 0.000 -9.016 0.000) 9.016 28.686 ( 0.000 1.760 0.000) 1.760 28.693 ( 0.000 1.703 -0.000) 1.703 29.224 ( 0.000 1.165 -0.000) 1.165 29.259 ( 0.000 3.092 0.000) 3.092 29.342 ( -0.000 -4.319 0.000) 4.319 29.355 ( 0.000 -9.722 -0.000) 9.722 30.362 ( 0.000 4.621 0.000) 4.621 30.485 ( 0.000 -6.526 -0.000) 6.526 31.053 ( 0.000 1.095 -0.000) 1.095 31.086 ( 0.000 -2.140 0.000) 2.140 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -4.025 0.000 22.663) 23.017 0.570 ( -3.651 0.000 30.779) 30.995 0.865 ( 3.111 0.000 45.553) 45.659 1.947 ( 0.615 0.000 7.675) 7.699 1.980 ( 1.776 0.000 -11.901) 12.033 2.331 ( 0.873 0.000 16.148) 16.172 2.394 ( 0.988 0.000 -2.269) 2.475 2.395 ( -0.943 0.000 8.506) 8.558 2.588 ( 0.045 0.000 0.439) 0.441 2.622 ( 2.606 0.000 -7.318) 7.769 2.802 ( -1.128 0.000 -7.359) 7.444 2.819 ( 1.639 0.000 1.145) 2.000 3.046 ( 2.185 0.000 -7.184) 7.509 3.073 ( -1.899 0.000 -15.401) 15.518 3.178 ( -5.894 0.000 -4.337) 7.318 3.190 ( 1.338 0.000 1.358) 1.907 3.225 ( -8.314 0.000 1.564) 8.460 3.306 ( 3.661 0.000 -2.315) 4.332 3.424 ( 2.139 0.000 3.557) 4.150 3.440 ( -2.083 0.000 -2.119) 2.971 3.502 ( 4.572 0.000 -3.530) 5.776 3.651 ( 9.664 0.000 -2.338) 9.943 3.659 ( -1.695 0.000 -3.575) 3.956 3.721 ( 0.941 0.000 0.956) 1.341 3.847 ( -9.797 0.000 1.687) 9.941 3.912 ( -6.962 0.000 -4.969) 8.553 3.985 ( -0.914 0.000 -1.191) 1.501 4.126 ( 13.820 0.000 3.240) 14.194 4.214 ( -1.309 0.000 10.754) 10.834 4.370 ( -4.567 0.000 -7.428) 8.720 4.541 ( -5.503 0.000 20.924) 21.635 4.558 ( 1.499 0.000 5.497) 5.698 4.577 ( 2.652 0.000 -7.185) 7.659 4.712 ( -2.165 0.000 16.317) 16.460 4.729 ( 0.475 0.000 -17.841) 17.848 4.887 ( 7.238 0.000 6.133) 9.487 5.017 ( -2.074 0.000 -8.508) 8.757 5.036 ( -0.102 0.000 -5.038) 5.039 5.171 ( -1.035 0.000 4.290) 4.413 5.321 ( 4.700 0.000 2.690) 5.416 5.531 ( 2.188 0.000 8.580) 8.854 5.612 ( -3.027 0.000 -4.952) 5.803 5.745 ( -1.161 0.000 0.403) 1.229 5.827 ( -3.484 0.000 3.381) 4.855 5.848 ( -0.724 0.000 0.480) 0.869 5.884 ( -2.887 0.000 0.298) 2.903 6.018 ( 5.756 0.000 -5.625) 8.048 6.134 ( 5.392 0.000 -0.655) 5.432 6.182 ( 1.831 0.000 -2.878) 3.411 6.194 ( 0.608 0.000 1.397) 1.524 6.240 ( 2.696 0.000 -0.287) 2.712 6.500 ( -2.630 0.000 -6.378) 6.899 6.557 ( 0.640 0.000 7.099) 7.128 6.840 ( -0.478 0.000 3.007) 3.045 6.962 ( -3.783 0.000 4.922) 6.208 7.056 ( 0.115 0.000 4.390) 4.392 7.131 ( -1.263 0.000 -6.995) 7.108 7.307 ( -2.466 0.000 -5.749) 6.256 7.377 ( 1.533 0.000 -9.577) 9.699 7.516 ( -3.114 0.000 4.378) 5.372 7.970 ( 1.639 0.000 -9.385) 9.527 8.038 ( -0.642 0.000 -3.745) 3.799 8.132 ( -5.337 0.000 -0.386) 5.351 8.150 ( 0.649 0.000 4.628) 4.673 8.359 ( -1.798 0.000 0.549) 1.880 8.544 ( 20.925 0.000 3.750) 21.258 8.601 ( 1.050 0.000 2.307) 2.535 8.796 ( 1.495 0.000 -3.286) 3.610 9.313 ( -0.057 0.000 0.759) 0.761 9.502 ( -0.807 0.000 2.847) 2.959 9.526 ( -0.974 0.000 1.771) 2.021 9.632 ( 2.672 0.000 -5.138) 5.792 9.648 ( 1.253 0.000 -0.291) 1.286 9.872 ( 1.793 0.000 -3.455) 3.893 9.957 ( 0.255 0.000 0.032) 0.257 10.024 ( -1.028 0.000 -1.977) 2.229 10.839 ( 1.357 0.000 -0.621) 1.492 10.985 ( -12.284 0.000 -3.517) 12.777 11.175 ( 1.869 0.000 2.909) 3.458 11.275 ( -2.691 0.000 0.789) 2.805 11.437 ( 1.584 0.000 3.670) 3.997 11.486 ( 0.318 0.000 2.696) 2.715 11.745 ( -0.890 0.000 -2.283) 2.450 11.837 ( -0.609 0.000 -3.069) 3.129 12.391 ( 0.605 0.000 1.384) 1.510 12.510 ( -3.734 0.000 -1.597) 4.062 12.628 ( -0.174 0.000 1.564) 1.573 12.636 ( 1.005 0.000 0.912) 1.357 13.113 ( -0.123 0.000 0.114) 0.168 13.180 ( -2.172 0.000 -2.328) 3.183 13.295 ( 3.947 0.000 2.221) 4.529 13.324 ( 1.473 0.000 0.425) 1.533 14.168 ( -1.063 0.000 -0.559) 1.201 14.258 ( -0.524 0.000 -1.274) 1.378 14.410 ( -0.863 0.000 1.501) 1.731 14.527 ( 0.244 0.000 -0.841) 0.876 14.831 ( -0.017 0.000 1.655) 1.655 14.910 ( 0.718 0.000 -0.759) 1.045 14.982 ( 0.479 0.000 -1.433) 1.511 15.015 ( -19.737 0.000 -1.538) 19.797 15.751 ( 6.554 0.000 0.643) 6.585 15.801 ( -0.674 0.000 4.529) 4.579 15.876 ( 0.210 0.000 -1.074) 1.094 16.178 ( 1.630 0.000 -2.827) 3.263 16.472 ( -0.877 0.000 1.393) 1.646 16.674 ( -3.863 0.000 -1.022) 3.996 16.783 ( -0.935 0.000 1.311) 1.610 16.998 ( 2.565 0.000 -2.363) 3.487 17.303 ( 2.675 0.000 0.057) 2.675 17.422 ( 1.686 0.000 -1.381) 2.179 17.558 ( 10.178 0.000 8.143) 13.035 17.585 ( -1.298 0.000 1.648) 2.098 17.684 ( -12.014 0.000 -1.125) 12.066 18.071 ( 0.598 0.000 3.192) 3.247 18.082 ( -0.262 0.000 -1.060) 1.092 18.391 ( -1.000 0.000 -3.947) 4.072 18.519 ( 2.380 0.000 1.512) 2.820 18.765 ( 10.442 0.000 -3.018) 10.870 18.899 ( -3.739 0.000 2.257) 4.367 18.901 ( 9.926 0.000 4.186) 10.772 18.972 ( 2.600 0.000 0.236) 2.610 19.272 ( 1.583 0.000 -2.956) 3.353 19.877 ( 1.250 0.000 1.788) 2.181 20.184 ( -2.750 0.000 -3.196) 4.216 25.851 ( -0.379 0.000 -3.698) 3.718 25.905 ( 2.639 0.000 -5.634) 6.222 26.038 ( 0.033 0.000 4.256) 4.256 26.145 ( 4.386 0.000 3.845) 5.833 26.497 ( -0.392 0.000 0.730) 0.829 26.536 ( 0.668 0.000 2.175) 2.275 26.620 ( 0.670 0.000 -2.024) 2.132 26.709 ( -1.646 0.000 -1.243) 2.063 26.711 ( 1.691 0.000 0.258) 1.710 26.815 ( -1.724 0.000 -1.291) 2.154 26.859 ( -2.398 0.000 0.275) 2.414 26.882 ( 2.609 0.000 1.896) 3.225 26.903 ( 1.429 0.000 1.681) 2.206 27.081 ( -2.749 0.000 -0.433) 2.783 27.197 ( -15.767 0.000 0.600) 15.779 27.269 ( -0.091 0.000 -1.092) 1.096 27.395 ( 1.366 0.000 -1.457) 1.997 27.617 ( -1.137 0.000 -0.103) 1.142 27.734 ( 4.191 0.000 8.486) 9.464 28.030 ( -45.445 0.000 5.984) 45.837 28.141 ( 0.472 0.000 2.438) 2.483 28.161 ( 0.818 0.000 -0.876) 1.199 28.531 ( -0.363 0.000 -6.885) 6.894 28.780 ( -1.424 0.000 0.567) 1.533 29.157 ( 1.664 0.000 -9.822) 9.962 29.175 ( 17.510 0.000 -2.036) 17.628 29.675 ( 2.333 0.000 9.412) 9.697 30.261 ( -23.648 0.000 -4.058) 23.993 30.311 ( -2.484 0.000 0.425) 2.520 30.482 ( 9.238 0.000 -2.865) 9.672 30.521 ( -0.655 0.000 -0.260) 0.704 30.556 ( 31.724 0.000 -0.340) 31.726 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 26.869 0.000 6.974) 27.759 0.782 ( 20.492 0.000 17.925) 27.225 1.434 ( 39.008 0.000 30.519) 49.528 1.996 ( -0.612 0.000 8.609) 8.630 2.069 ( 7.063 0.000 -6.655) 9.704 2.385 ( 3.531 0.000 6.390) 7.301 2.401 ( -0.420 0.000 -2.694) 2.726 2.424 ( 4.229 0.000 3.174) 5.288 2.565 ( 1.952 0.000 1.160) 2.271 2.596 ( -5.286 0.000 -6.369) 8.277 2.806 ( -2.401 0.000 -0.032) 2.401 2.834 ( 3.168 0.000 -4.368) 5.396 2.904 ( -17.410 0.000 -0.380) 17.414 2.960 ( -5.884 0.000 2.734) 6.489 3.079 ( -2.324 0.000 -4.619) 5.171 3.145 ( 2.578 0.000 -13.441) 13.686 3.205 ( 0.825 0.000 -0.078) 0.828 3.339 ( -9.944 0.000 0.667) 9.966 3.354 ( -4.290 0.000 -3.848) 5.763 3.443 ( -5.450 0.000 3.357) 6.401 3.486 ( 0.804 0.000 10.687) 10.717 3.581 ( -1.034 0.000 -0.270) 1.069 3.732 ( -0.032 0.000 -7.876) 7.876 3.764 ( -1.460 0.000 -12.847) 12.929 3.771 ( 2.946 0.000 -4.863) 5.685 3.944 ( 10.393 0.000 2.281) 10.640 3.966 ( 1.255 0.000 -5.108) 5.260 4.100 ( -10.874 0.000 4.735) 11.860 4.282 ( 1.279 0.000 2.852) 3.126 4.418 ( 4.930 0.000 -4.541) 6.703 4.444 ( -4.070 0.000 17.165) 17.641 4.544 ( -5.139 0.000 10.104) 11.336 4.656 ( -2.473 0.000 3.447) 4.242 4.662 ( 4.173 0.000 -7.777) 8.826 4.723 ( 0.635 0.000 -17.311) 17.323 4.886 ( -0.413 0.000 12.574) 12.580 5.032 ( -0.422 0.000 -0.509) 0.661 5.048 ( 0.143 0.000 -0.240) 0.279 5.190 ( 4.255 0.000 -0.775) 4.325 5.356 ( -0.166 0.000 6.108) 6.110 5.545 ( -3.421 0.000 -5.139) 6.173 5.594 ( 3.147 0.000 8.537) 9.098 5.709 ( -2.636 0.000 2.929) 3.941 5.765 ( -4.939 0.000 8.250) 9.615 5.786 ( -1.725 0.000 -8.211) 8.390 5.813 ( -0.909 0.000 5.198) 5.277 6.028 ( -14.513 0.000 -2.656) 14.754 6.085 ( 1.122 0.000 -4.100) 4.251 6.198 ( -0.182 0.000 4.876) 4.879 6.270 ( -1.940 0.000 -1.635) 2.537 6.329 ( 11.626 0.000 2.303) 11.852 6.452 ( -3.163 0.000 -3.450) 4.681 6.579 ( 1.661 0.000 5.736) 5.972 6.688 ( -11.986 0.000 10.011) 15.617 6.872 ( 3.192 0.000 0.548) 3.239 6.915 ( -1.271 0.000 3.039) 3.294 7.106 ( 1.510 0.000 -5.524) 5.727 7.337 ( 0.236 0.000 -1.714) 1.731 7.417 ( 2.786 0.000 -7.325) 7.838 7.534 ( 2.162 0.000 1.485) 2.623 8.041 ( 1.403 0.000 -1.824) 2.301 8.065 ( 8.628 0.000 -8.274) 11.954 8.151 ( 3.213 0.000 -2.021) 3.796 8.177 ( 1.438 0.000 3.243) 3.547 8.328 ( -1.145 0.000 -0.461) 1.235 8.601 ( -1.063 0.000 3.038) 3.218 8.755 ( -3.267 0.000 -3.559) 4.832 9.062 ( 9.478 0.000 -7.576) 12.134 9.431 ( -5.636 0.000 1.660) 5.876 9.462 ( 9.589 0.000 -14.882) 17.704 9.495 ( -2.125 0.000 1.925) 2.868 9.675 ( 1.363 0.000 -2.787) 3.102 9.697 ( 2.732 0.000 -1.201) 2.984 9.835 ( -4.194 0.000 1.064) 4.327 9.963 ( 0.336 0.000 0.319) 0.463 10.017 ( 0.582 0.000 -3.054) 3.109 10.855 ( 1.251 0.000 -2.635) 2.917 10.861 ( 0.794 0.000 0.740) 1.086 11.181 ( -5.542 0.000 0.354) 5.553 11.238 ( 3.520 0.000 3.922) 5.270 11.470 ( 0.803 0.000 3.742) 3.827 11.474 ( -1.203 0.000 3.253) 3.469 11.742 ( 0.679 0.000 -3.056) 3.131 11.826 ( -0.344 0.000 -3.408) 3.425 12.407 ( 0.755 0.000 1.857) 2.005 12.419 ( -2.327 0.000 1.457) 2.746 12.625 ( -0.197 0.000 1.296) 1.310 12.650 ( 0.177 0.000 1.702) 1.711 13.112 ( -0.282 0.000 -0.100) 0.299 13.148 ( -0.908 0.000 -2.444) 2.607 13.354 ( -0.084 0.000 -3.145) 3.146 13.365 ( 2.644 0.000 3.466) 4.359 14.162 ( 0.862 0.000 0.996) 1.317 14.240 ( -1.073 0.000 -1.470) 1.820 14.384 ( -1.688 0.000 0.956) 1.940 14.539 ( 0.832 0.000 -0.845) 1.186 14.618 ( -10.531 0.000 11.946) 15.925 14.835 ( 0.545 0.000 1.141) 1.265 14.932 ( 1.050 0.000 0.510) 1.168 15.000 ( 0.885 0.000 -0.787) 1.184 15.769 ( -1.154 0.000 1.039) 1.553 15.786 ( -0.835 0.000 3.646) 3.740 15.873 ( -0.409 0.000 -0.582) 0.711 16.244 ( 4.048 0.000 -2.037) 4.532 16.489 ( 2.362 0.000 0.464) 2.407 16.658 ( 0.752 0.000 -0.767) 1.075 16.794 ( 1.974 0.000 0.485) 2.033 17.019 ( 0.225 0.000 -0.691) 0.726 17.345 ( 1.505 0.000 1.512) 2.133 17.424 ( -6.427 0.000 6.777) 9.340 17.444 ( 0.222 0.000 0.480) 0.529 17.572 ( 0.448 0.000 -0.004) 0.448 17.736 ( 3.178 0.000 -0.728) 3.260 18.050 ( -2.494 0.000 -1.572) 2.948 18.080 ( 0.304 0.000 3.605) 3.618 18.360 ( -1.448 0.000 -2.022) 2.487 18.612 ( 4.853 0.000 1.512) 5.083 18.733 ( -3.840 0.000 -3.239) 5.023 18.838 ( -1.246 0.000 -1.907) 2.278 18.991 ( 0.127 0.000 2.220) 2.223 19.294 ( 0.479 0.000 -0.787) 0.922 19.446 ( 19.126 0.000 -14.796) 24.181 19.862 ( -2.731 0.000 2.492) 3.697 20.043 ( -8.946 0.000 -2.060) 9.180 25.848 ( 0.269 0.000 -3.891) 3.900 25.887 ( -2.738 0.000 -3.255) 4.253 26.043 ( 0.391 0.000 4.225) 4.243 26.160 ( -2.917 0.000 8.466) 8.955 26.482 ( -0.820 0.000 0.422) 0.922 26.542 ( -0.270 0.000 2.466) 2.481 26.623 ( -1.656 0.000 -1.738) 2.400 26.629 ( -1.083 0.000 0.716) 1.298 26.738 ( -0.053 0.000 2.290) 2.290 26.743 ( -3.334 0.000 -2.935) 4.442 26.794 ( -2.594 0.000 -1.316) 2.908 26.926 ( 1.481 0.000 3.196) 3.523 26.934 ( 0.977 0.000 2.150) 2.362 26.992 ( 4.971 0.000 -4.358) 6.611 27.122 ( 0.529 0.000 0.465) 0.704 27.276 ( 0.791 0.000 -1.077) 1.336 27.418 ( 0.880 0.000 2.365) 2.523 27.565 ( -3.375 0.000 -0.679) 3.442 27.572 ( -6.349 0.000 12.139) 13.699 27.844 ( 3.007 0.000 6.020) 6.729 28.148 ( -2.249 0.000 -0.903) 2.423 28.200 ( 6.551 0.000 2.185) 6.906 28.513 ( -0.791 0.000 -5.719) 5.774 28.726 ( -3.719 0.000 -0.452) 3.747 29.227 ( 4.801 0.000 -8.070) 9.390 29.268 ( -4.223 0.000 -7.699) 8.781 29.721 ( 1.495 0.000 8.376) 8.508 29.796 ( -14.572 0.000 12.723) 19.344 30.267 ( -1.041 0.000 -1.250) 1.627 30.557 ( 7.675 0.000 -4.933) 9.123 30.560 ( 3.788 0.000 0.216) 3.794 31.214 ( 12.341 0.000 -16.834) 20.873 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 26.776 0.000 4.947) 27.229 1.258 ( 25.317 0.000 5.542) 25.917 1.807 ( -14.611 0.000 9.366) 17.355 2.124 ( 19.655 0.000 14.361) 24.343 2.207 ( 4.471 0.000 -4.514) 6.353 2.341 ( -9.776 0.000 -0.176) 9.778 2.403 ( -11.227 0.000 0.274) 11.230 2.516 ( 2.573 0.000 -2.133) 3.342 2.577 ( -8.557 0.000 -1.928) 8.772 2.637 ( 24.089 0.000 -7.521) 25.236 2.684 ( 6.707 0.000 1.176) 6.809 2.802 ( -0.459 0.000 -5.130) 5.150 2.812 ( -0.148 0.000 2.451) 2.455 2.916 ( 0.242 0.000 -3.299) 3.308 3.005 ( -5.413 0.000 0.462) 5.433 3.023 ( -13.172 0.000 0.480) 13.180 3.179 ( 0.143 0.000 -6.085) 6.087 3.247 ( 3.345 0.000 -2.706) 4.303 3.258 ( -3.080 0.000 -1.094) 3.269 3.457 ( 9.384 0.000 -2.596) 9.736 3.538 ( -1.199 0.000 3.814) 3.998 3.595 ( 1.191 0.000 -4.708) 4.857 3.660 ( 0.559 0.000 -1.647) 1.739 3.802 ( -5.889 0.000 -2.516) 6.404 3.883 ( -5.650 0.000 11.136) 12.488 3.891 ( 4.014 0.000 -10.350) 11.101 3.998 ( 7.360 0.000 -1.920) 7.606 4.063 ( -2.925 0.000 3.897) 4.872 4.163 ( -16.802 0.000 1.454) 16.865 4.320 ( -4.222 0.000 9.553) 10.445 4.407 ( -9.774 0.000 8.945) 13.249 4.451 ( 5.267 0.000 4.807) 7.131 4.657 ( -10.307 0.000 3.216) 10.797 4.664 ( -0.061 0.000 -12.707) 12.707 4.816 ( 5.847 0.000 -8.180) 10.054 4.820 ( 3.198 0.000 1.626) 3.588 5.019 ( -2.925 0.000 0.518) 2.971 5.161 ( 12.252 0.000 9.017) 15.213 5.320 ( -3.758 0.000 6.548) 7.550 5.336 ( 9.160 0.000 -3.878) 9.947 5.476 ( -3.302 0.000 -0.569) 3.351 5.606 ( -7.308 0.000 3.477) 8.093 5.619 ( -6.050 0.000 3.189) 6.839 5.678 ( -3.452 0.000 5.344) 6.362 5.767 ( 0.060 0.000 -7.822) 7.823 5.799 ( -1.490 0.000 4.319) 4.569 5.830 ( 0.498 0.000 4.480) 4.508 6.078 ( -0.930 0.000 -3.373) 3.499 6.157 ( -7.581 0.000 -2.424) 7.959 6.205 ( 0.823 0.000 3.074) 3.182 6.401 ( -0.598 0.000 0.833) 1.025 6.534 ( 7.787 0.000 0.167) 7.789 6.592 ( -2.204 0.000 -0.681) 2.307 6.621 ( 1.863 0.000 4.920) 5.261 6.901 ( -0.341 0.000 4.117) 4.132 6.942 ( 3.510 0.000 -4.444) 5.663 7.174 ( 4.113 0.000 -2.667) 4.902 7.307 ( -2.203 0.000 1.016) 2.426 7.475 ( 2.594 0.000 -5.083) 5.706 7.565 ( 1.081 0.000 -1.644) 1.968 8.103 ( 4.617 0.000 1.791) 4.952 8.169 ( 2.456 0.000 -4.404) 5.042 8.193 ( 0.002 0.000 1.484) 1.484 8.314 ( -0.396 0.000 -0.591) 0.711 8.338 ( 12.531 0.000 -4.601) 13.349 8.562 ( -2.804 0.000 3.397) 4.405 8.673 ( -3.765 0.000 -5.221) 6.437 9.108 ( -2.513 0.000 -0.732) 2.617 9.313 ( -5.307 0.000 1.326) 5.470 9.452 ( -1.916 0.000 2.790) 3.385 9.555 ( 2.015 0.000 -11.099) 11.281 9.648 ( -4.196 0.000 0.720) 4.257 9.680 ( -0.835 0.000 -1.255) 1.507 9.846 ( 2.039 0.000 -2.094) 2.923 9.970 ( 0.316 0.000 -0.224) 0.387 10.051 ( 2.634 0.000 -3.572) 4.438 10.871 ( 0.069 0.000 0.994) 0.996 10.918 ( 3.661 0.000 -4.620) 5.894 11.086 ( -3.459 0.000 1.374) 3.722 11.277 ( -0.192 0.000 1.714) 1.725 11.465 ( 0.530 0.000 4.773) 4.802 11.471 ( -0.426 0.000 3.656) 3.680 11.760 ( 0.975 0.000 -2.693) 2.864 11.825 ( 0.284 0.000 -2.954) 2.967 12.411 ( 0.751 0.000 0.257) 0.794 12.418 ( 0.262 0.000 1.278) 1.304 12.623 ( -0.029 0.000 1.286) 1.287 12.642 ( -0.907 0.000 1.819) 2.033 13.088 ( -1.968 0.000 -1.357) 2.390 13.146 ( 0.649 0.000 -2.998) 3.067 13.342 ( -0.360 0.000 1.186) 1.239 13.390 ( -0.335 0.000 3.566) 3.582 14.194 ( 1.882 0.000 0.355) 1.915 14.224 ( -0.332 0.000 -1.073) 1.124 14.353 ( -1.257 0.000 0.506) 1.355 14.521 ( -1.575 0.000 7.031) 7.205 14.549 ( 0.101 0.000 -1.241) 1.245 14.857 ( 1.572 0.000 0.343) 1.609 14.938 ( -0.589 0.000 1.119) 1.264 15.015 ( 0.480 0.000 -0.713) 0.859 15.752 ( -0.637 0.000 1.141) 1.307 15.774 ( -0.267 0.000 3.149) 3.160 15.863 ( -0.571 0.000 0.312) 0.651 16.311 ( 2.152 0.000 -2.730) 3.476 16.550 ( 3.248 0.000 -0.117) 3.250 16.673 ( 0.761 0.000 -1.424) 1.614 16.847 ( 2.825 0.000 0.446) 2.861 17.020 ( -0.045 0.000 -1.158) 1.159 17.350 ( -1.846 0.000 4.364) 4.739 17.373 ( 0.966 0.000 4.359) 4.465 17.445 ( 0.518 0.000 0.675) 0.851 17.588 ( 0.310 0.000 -0.958) 1.007 17.770 ( 0.689 0.000 0.191) 0.715 18.002 ( -1.917 0.000 -1.799) 2.629 18.086 ( 0.153 0.000 3.380) 3.383 18.324 ( -2.276 0.000 1.721) 2.853 18.655 ( 0.336 0.000 -4.066) 4.079 18.679 ( -1.057 0.000 -5.815) 5.910 18.902 ( 6.791 0.000 -0.236) 6.795 18.982 ( -0.981 0.000 3.834) 3.957 19.285 ( -1.374 0.000 1.304) 1.894 19.681 ( 7.158 0.000 -3.619) 8.021 19.782 ( -4.743 0.000 1.480) 4.968 19.865 ( -8.203 0.000 -5.911) 10.111 25.843 ( -1.423 0.000 -3.262) 3.559 25.858 ( 0.708 0.000 -4.071) 4.132 26.054 ( 0.471 0.000 4.681) 4.704 26.117 ( -1.518 0.000 8.780) 8.910 26.474 ( 0.102 0.000 0.478) 0.489 26.529 ( -1.004 0.000 1.477) 1.786 26.598 ( -0.633 0.000 -1.466) 1.597 26.626 ( -0.461 0.000 -1.549) 1.616 26.683 ( -3.626 0.000 1.514) 3.929 26.709 ( -0.088 0.000 -5.425) 5.426 26.788 ( 0.324 0.000 0.012) 0.324 26.939 ( -0.254 0.000 1.978) 1.994 26.942 ( 0.336 0.000 2.085) 2.112 27.111 ( 4.421 0.000 -5.181) 6.811 27.136 ( 1.650 0.000 -0.100) 1.653 27.295 ( 1.022 0.000 -0.721) 1.251 27.431 ( 0.373 0.000 3.782) 3.800 27.512 ( -1.512 0.000 -0.054) 1.513 27.528 ( 0.353 0.000 10.872) 10.877 27.858 ( -1.043 0.000 3.892) 4.029 28.089 ( -2.880 0.000 -1.431) 3.216 28.376 ( 9.143 0.000 1.183) 9.219 28.507 ( 0.190 0.000 -4.015) 4.020 28.651 ( -3.094 0.000 -0.772) 3.189 29.139 ( -6.435 0.000 -7.749) 10.072 29.309 ( 2.942 0.000 -8.743) 9.225 29.594 ( -7.482 0.000 10.746) 13.094 29.730 ( -0.667 0.000 5.045) 5.089 30.277 ( 1.671 0.000 -0.122) 1.675 30.643 ( 3.933 0.000 1.909) 4.372 30.742 ( 9.910 0.000 -8.451) 13.024 31.266 ( -3.132 0.000 -6.154) 6.905 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -20.741 0.000 2.187) 20.856 1.710 ( 18.798 0.000 13.418) 23.095 1.724 ( 18.762 0.000 -5.938) 19.679 1.906 ( -23.676 0.000 4.510) 24.102 2.258 ( -3.608 0.000 -0.639) 3.665 2.298 ( 1.311 0.000 -0.825) 1.549 2.327 ( 5.106 0.000 -2.224) 5.569 2.463 ( -3.062 0.000 1.207) 3.291 2.554 ( 0.739 0.000 -1.393) 1.577 2.680 ( -6.165 0.000 0.111) 6.166 2.742 ( -0.839 0.000 -2.762) 2.887 2.799 ( 0.599 0.000 -4.544) 4.583 2.845 ( -2.724 0.000 -2.403) 3.632 2.960 ( 4.972 0.000 -5.493) 7.410 3.094 ( 9.982 0.000 0.642) 10.002 3.163 ( 1.002 0.000 -2.281) 2.491 3.231 ( 3.209 0.000 -4.529) 5.551 3.292 ( 6.326 0.000 -3.446) 7.204 3.315 ( 2.837 0.000 -9.382) 9.802 3.483 ( -3.031 0.000 -1.814) 3.532 3.486 ( -2.367 0.000 0.220) 2.378 3.585 ( -16.596 0.000 3.663) 16.995 3.659 ( -0.489 0.000 3.957) 3.988 3.668 ( -3.030 0.000 4.787) 5.665 3.844 ( 16.456 0.000 2.678) 16.672 3.915 ( 0.541 0.000 -7.161) 7.181 3.950 ( -4.234 0.000 8.037) 9.085 3.975 ( 2.616 0.000 4.234) 4.977 4.185 ( 8.404 0.000 0.144) 8.405 4.204 ( -9.001 0.000 13.758) 16.441 4.243 ( -3.225 0.000 8.692) 9.271 4.458 ( -5.164 0.000 6.424) 8.242 4.503 ( -2.209 0.000 -8.963) 9.231 4.730 ( 5.728 0.000 -5.717) 8.093 4.885 ( -1.343 0.000 -2.790) 3.097 4.943 ( 6.169 0.000 -3.166) 6.934 4.970 ( 1.348 0.000 -4.880) 5.063 5.178 ( -8.873 0.000 6.109) 10.773 5.305 ( -8.698 0.000 0.151) 8.699 5.413 ( -4.347 0.000 3.431) 5.538 5.466 ( 0.722 0.000 -0.228) 0.757 5.487 ( 5.871 0.000 3.696) 6.938 5.559 ( 4.905 0.000 0.333) 4.916 5.673 ( 1.744 0.000 9.461) 9.621 5.752 ( -1.825 0.000 5.637) 5.925 5.782 ( 0.545 0.000 -5.609) 5.635 5.929 ( 5.840 0.000 8.735) 10.508 6.044 ( -2.302 0.000 -3.726) 4.380 6.068 ( 0.153 0.000 -4.230) 4.232 6.211 ( -0.949 0.000 -0.957) 1.348 6.424 ( 2.650 0.000 3.503) 4.392 6.545 ( -2.250 0.000 -4.059) 4.641 6.571 ( -3.946 0.000 -3.124) 5.033 6.650 ( -0.260 0.000 5.226) 5.232 6.901 ( 0.315 0.000 3.880) 3.893 7.020 ( 4.613 0.000 -4.902) 6.731 7.214 ( -1.040 0.000 -2.690) 2.884 7.294 ( 1.803 0.000 2.307) 2.928 7.486 ( -2.023 0.000 -3.311) 3.880 7.580 ( 0.415 0.000 -2.267) 2.305 8.165 ( -0.906 0.000 1.544) 1.790 8.202 ( 0.520 0.000 -2.912) 2.958 8.205 ( 1.980 0.000 3.932) 4.402 8.318 ( 1.669 0.000 -0.619) 1.780 8.454 ( -1.781 0.000 -2.347) 2.946 8.508 ( -2.165 0.000 2.462) 3.278 8.693 ( 5.947 0.000 -9.846) 11.503 8.996 ( -7.329 0.000 -0.735) 7.365 9.262 ( 0.903 0.000 1.640) 1.872 9.436 ( 0.435 0.000 3.407) 3.434 9.546 ( -2.019 0.000 -6.086) 6.412 9.639 ( 2.397 0.000 -1.883) 3.048 9.648 ( -2.042 0.000 -1.619) 2.606 9.855 ( -0.753 0.000 -3.323) 3.407 9.970 ( -0.410 0.000 -0.941) 1.026 10.090 ( 0.788 0.000 -3.162) 3.259 10.855 ( -1.637 0.000 -0.359) 1.676 10.986 ( 3.331 0.000 -2.415) 4.115 11.070 ( 1.972 0.000 3.428) 3.955 11.241 ( -2.814 0.000 -1.097) 3.021 11.464 ( -0.308 0.000 3.488) 3.502 11.485 ( 0.853 0.000 5.512) 5.578 11.775 ( 0.571 0.000 -1.792) 1.881 11.834 ( 0.650 0.000 -2.314) 2.403 12.416 ( -0.497 0.000 0.344) 0.604 12.432 ( 1.186 0.000 0.857) 1.463 12.622 ( -0.976 0.000 1.039) 1.425 12.625 ( 0.171 0.000 1.562) 1.572 13.051 ( -1.254 0.000 -2.659) 2.940 13.164 ( 1.048 0.000 -3.188) 3.356 13.348 ( 0.804 0.000 4.077) 4.155 13.358 ( -2.732 0.000 2.361) 3.610 14.217 ( 0.113 0.000 -0.341) 0.360 14.227 ( 0.569 0.000 -0.443) 0.721 14.347 ( 0.983 0.000 1.024) 1.420 14.531 ( 2.289 0.000 7.107) 7.466 14.545 ( -0.335 0.000 -1.758) 1.790 14.889 ( 1.363 0.000 -0.630) 1.502 14.910 ( -2.056 0.000 1.166) 2.364 15.018 ( -0.086 0.000 -0.696) 0.702 15.738 ( -0.940 0.000 0.459) 1.046 15.778 ( 0.563 0.000 3.482) 3.527 15.855 ( -0.128 0.000 0.805) 0.815 16.318 ( -1.294 0.000 -3.864) 4.075 16.597 ( 1.004 0.000 0.355) 1.065 16.688 ( 0.723 0.000 -1.742) 1.886 16.886 ( 0.764 0.000 1.259) 1.473 17.015 ( -0.484 0.000 -1.878) 1.939 17.325 ( -0.906 0.000 3.403) 3.521 17.389 ( 0.199 0.000 6.168) 6.172 17.469 ( 1.040 0.000 -0.649) 1.226 17.567 ( -1.692 0.000 -0.781) 1.864 17.773 ( -0.184 0.000 -0.234) 0.298 17.982 ( 0.089 0.000 -1.488) 1.491 18.086 ( -0.189 0.000 3.116) 3.122 18.289 ( -0.695 0.000 2.992) 3.072 18.665 ( 0.696 0.000 -8.077) 8.107 18.698 ( 3.106 0.000 -5.483) 6.302 18.956 ( -1.664 0.000 4.155) 4.476 19.027 ( 4.030 0.000 5.931) 7.171 19.246 ( -2.157 0.000 0.587) 2.235 19.609 ( -11.114 0.000 -8.207) 13.816 19.707 ( -1.915 0.000 -0.979) 2.150 19.881 ( 7.127 0.000 -1.271) 7.240 25.824 ( -0.514 0.000 -3.881) 3.915 25.870 ( 0.505 0.000 -4.081) 4.112 26.060 ( -0.073 0.000 5.350) 5.350 26.098 ( -0.672 0.000 7.495) 7.525 26.478 ( -0.289 0.000 0.618) 0.682 26.516 ( 0.261 0.000 0.388) 0.468 26.586 ( -0.521 0.000 -2.015) 2.081 26.630 ( 1.367 0.000 -0.094) 1.370 26.632 ( -1.219 0.000 0.873) 1.499 26.722 ( 1.187 0.000 -5.725) 5.847 26.789 ( 0.129 0.000 0.576) 0.590 26.934 ( -0.195 0.000 1.343) 1.357 26.942 ( -0.463 0.000 0.433) 0.634 27.119 ( -0.938 0.000 2.708) 2.866 27.216 ( 3.924 0.000 -4.786) 6.189 27.307 ( 0.039 0.000 -0.492) 0.493 27.438 ( 0.241 0.000 5.854) 5.859 27.508 ( 0.943 0.000 1.017) 1.387 27.573 ( 3.685 0.000 12.221) 12.764 27.828 ( -1.650 0.000 1.967) 2.568 28.056 ( -0.092 0.000 -1.451) 1.454 28.502 ( 2.756 0.000 1.816) 3.301 28.507 ( -0.228 0.000 -4.255) 4.261 28.631 ( 1.368 0.000 0.464) 1.445 29.058 ( -1.219 0.000 -9.042) 9.124 29.324 ( -1.175 0.000 -10.918) 10.981 29.492 ( -2.747 0.000 9.367) 9.761 29.705 ( -1.813 0.000 3.536) 3.974 30.313 ( 1.617 0.000 1.284) 2.065 30.696 ( 0.972 0.000 3.542) 3.673 30.909 ( 6.332 0.000 -11.158) 12.829 31.148 ( -7.798 0.000 -2.926) 8.328 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -24.654 0.000 2.791) 24.811 1.378 ( -26.752 0.000 11.809) 29.243 1.974 ( 3.993 0.000 -16.275) 16.757 1.990 ( 7.362 0.000 17.916) 19.370 2.162 ( -16.666 0.000 10.993) 19.965 2.287 ( 7.842 0.000 -4.157) 8.876 2.400 ( -2.068 0.000 1.906) 2.812 2.434 ( -11.016 0.000 -0.382) 11.023 2.622 ( 12.525 0.000 1.038) 12.568 2.668 ( -1.477 0.000 -5.013) 5.226 2.725 ( 6.645 0.000 -2.492) 7.097 2.735 ( -18.810 0.000 2.459) 18.970 2.871 ( 5.527 0.000 -2.887) 6.235 2.907 ( 3.029 0.000 -9.817) 10.274 2.985 ( -4.121 0.000 -5.530) 6.896 3.045 ( -6.656 0.000 1.111) 6.748 3.262 ( 2.258 0.000 -1.310) 2.611 3.286 ( 1.673 0.000 -1.433) 2.202 3.347 ( 1.347 0.000 -9.948) 10.039 3.445 ( -1.191 0.000 3.510) 3.707 3.487 ( -0.297 0.000 -0.745) 0.802 3.557 ( 1.579 0.000 0.571) 1.679 3.565 ( -3.921 0.000 2.375) 4.584 3.860 ( 12.577 0.000 -2.912) 12.910 3.908 ( 0.189 0.000 -0.934) 0.953 3.963 ( 2.805 0.000 1.809) 3.338 3.985 ( -8.261 0.000 10.442) 13.315 4.128 ( 11.044 0.000 4.367) 11.876 4.227 ( 8.055 0.000 6.907) 10.610 4.267 ( -3.520 0.000 1.707) 3.912 4.366 ( 9.340 0.000 5.393) 10.786 4.448 ( 11.521 0.000 -1.651) 11.639 4.449 ( 1.709 0.000 -2.178) 2.768 4.766 ( -5.263 0.000 -1.840) 5.576 4.798 ( -2.323 0.000 -7.392) 7.748 4.959 ( -9.150 0.000 3.638) 9.846 5.057 ( 4.265 0.000 -6.685) 7.929 5.063 ( 3.025 0.000 -4.008) 5.021 5.096 ( -9.097 0.000 5.436) 10.597 5.280 ( -7.004 0.000 5.526) 8.921 5.536 ( -1.042 0.000 2.268) 2.496 5.555 ( 8.339 0.000 0.404) 8.349 5.662 ( 3.014 0.000 -0.959) 3.163 5.724 ( -0.644 0.000 10.292) 10.312 5.790 ( 6.937 0.000 7.577) 10.273 5.817 ( 3.135 0.000 -9.047) 9.575 5.987 ( 1.283 0.000 10.280) 10.360 6.075 ( -0.464 0.000 -0.061) 0.468 6.093 ( 5.110 0.000 -4.635) 6.899 6.153 ( -4.057 0.000 -4.336) 5.938 6.422 ( -10.079 0.000 -5.841) 11.649 6.509 ( 5.674 0.000 8.123) 9.908 6.525 ( 0.916 0.000 -3.668) 3.780 6.602 ( -3.398 0.000 6.296) 7.155 6.903 ( -0.651 0.000 4.964) 5.007 7.094 ( 1.592 0.000 -0.751) 1.761 7.163 ( -3.096 0.000 -4.441) 5.414 7.359 ( 4.253 0.000 2.970) 5.188 7.407 ( -4.404 0.000 -6.606) 7.940 7.566 ( -2.332 0.000 -2.343) 3.306 8.119 ( -3.052 0.000 -0.974) 3.204 8.162 ( -4.485 0.000 -3.720) 5.827 8.198 ( -2.032 0.000 5.718) 6.068 8.378 ( 2.528 0.000 2.011) 3.231 8.382 ( -4.856 0.000 -2.225) 5.341 8.500 ( 1.736 0.000 0.295) 1.761 8.738 ( -1.613 0.000 -6.218) 6.424 8.900 ( -2.159 0.000 -7.868) 8.159 9.342 ( 6.136 0.000 2.358) 6.573 9.468 ( 2.351 0.000 2.661) 3.551 9.499 ( -2.850 0.000 -2.760) 3.967 9.611 ( -1.376 0.000 -2.706) 3.035 9.674 ( 0.147 0.000 -3.474) 3.477 9.830 ( -1.020 0.000 -3.667) 3.807 9.957 ( -0.589 0.000 -1.467) 1.581 10.081 ( -1.252 0.000 -2.167) 2.502 10.823 ( -1.159 0.000 -1.411) 1.826 11.055 ( 3.750 0.000 -1.145) 3.921 11.147 ( 5.047 0.000 4.498) 6.761 11.183 ( -2.636 0.000 -1.635) 3.102 11.459 ( -0.449 0.000 2.940) 2.974 11.492 ( -0.277 0.000 3.693) 3.703 11.781 ( -0.075 0.000 -1.694) 1.695 11.845 ( 0.412 0.000 -2.108) 2.148 12.401 ( -0.889 0.000 0.076) 0.892 12.456 ( 1.287 0.000 2.610) 2.910 12.610 ( -0.146 0.000 0.410) 0.436 12.629 ( 0.131 0.000 1.867) 1.872 13.049 ( 1.097 0.000 -2.184) 2.444 13.184 ( 1.232 0.000 -2.325) 2.631 13.296 ( -3.300 0.000 0.363) 3.320 13.364 ( 0.351 0.000 3.837) 3.853 14.204 ( -0.996 0.000 -0.896) 1.340 14.242 ( 0.886 0.000 -0.186) 0.905 14.384 ( 2.142 0.000 1.720) 2.747 14.539 ( -0.299 0.000 -1.906) 1.929 14.624 ( 7.402 0.000 11.109) 13.350 14.864 ( -2.041 0.000 0.383) 2.076 14.909 ( 0.331 0.000 -0.409) 0.526 15.013 ( -0.352 0.000 -0.352) 0.498 15.714 ( -1.441 0.000 -0.481) 1.519 15.794 ( 0.791 0.000 4.416) 4.486 15.858 ( 0.363 0.000 0.245) 0.438 16.267 ( -3.381 0.000 -4.578) 5.691 16.582 ( -2.417 0.000 1.333) 2.760 16.699 ( 0.558 0.000 -1.731) 1.818 16.875 ( -1.850 0.000 2.020) 2.739 17.001 ( -0.903 0.000 -2.911) 3.048 17.311 ( -0.718 0.000 2.760) 2.852 17.382 ( -0.761 0.000 8.123) 8.158 17.438 ( -3.045 0.000 0.073) 3.046 17.575 ( 1.873 0.000 -1.939) 2.696 17.774 ( 0.534 0.000 -1.374) 1.474 18.004 ( 2.115 0.000 -1.656) 2.686 18.080 ( -0.472 0.000 2.883) 2.922 18.307 ( 2.217 0.000 1.802) 2.857 18.654 ( -2.397 0.000 -5.067) 5.606 18.785 ( 5.071 0.000 -3.000) 5.892 18.918 ( -2.313 0.000 1.889) 2.986 19.030 ( -2.907 0.000 7.660) 8.193 19.227 ( 0.245 0.000 -1.876) 1.892 19.358 ( -13.807 0.000 -12.668) 18.738 19.727 ( 3.672 0.000 -1.897) 4.133 20.025 ( 6.928 0.000 0.465) 6.943 25.821 ( 0.318 0.000 -4.045) 4.057 25.873 ( -0.174 0.000 -3.896) 3.900 26.052 ( -0.709 0.000 5.419) 5.465 26.092 ( -0.142 0.000 6.720) 6.721 26.472 ( 0.197 0.000 0.776) 0.800 26.527 ( 0.235 0.000 0.692) 0.730 26.584 ( 0.433 0.000 -2.143) 2.186 26.639 ( 1.671 0.000 -0.301) 1.698 26.677 ( 2.970 0.000 0.458) 3.005 26.745 ( 1.376 0.000 -4.214) 4.433 26.805 ( 1.467 0.000 0.727) 1.637 26.921 ( -1.696 0.000 -0.388) 1.739 26.931 ( -0.292 0.000 1.024) 1.065 27.097 ( -1.065 0.000 2.285) 2.521 27.282 ( 2.991 0.000 -1.924) 3.556 27.298 ( -0.852 0.000 -0.648) 1.071 27.438 ( -0.691 0.000 6.766) 6.801 27.544 ( 2.516 0.000 1.430) 2.894 27.655 ( 2.776 0.000 9.369) 9.772 27.836 ( 4.599 0.000 5.974) 7.539 28.082 ( 2.299 0.000 -1.502) 2.746 28.495 ( -2.459 0.000 5.382) 5.917 28.506 ( 0.551 0.000 -5.170) 5.199 28.691 ( 4.084 0.000 2.023) 4.558 29.053 ( -0.514 0.000 -11.371) 11.382 29.265 ( -4.124 0.000 -12.732) 13.383 29.510 ( 4.905 0.000 8.741) 10.024 29.667 ( -1.814 0.000 4.540) 4.888 30.335 ( 0.499 0.000 1.754) 1.823 30.675 ( -3.098 0.000 3.898) 4.979 30.892 ( -9.517 0.000 -2.388) 9.812 31.044 ( -1.227 0.000 -15.386) 15.435 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -16.238 0.000 15.108) 22.179 0.872 ( -23.297 0.000 20.986) 31.356 1.458 ( -44.615 0.000 26.868) 52.080 1.983 ( -0.772 0.000 -13.010) 13.033 2.004 ( -4.415 0.000 12.091) 12.872 2.312 ( 1.272 0.000 7.501) 7.608 2.374 ( 0.479 0.000 -2.145) 2.198 2.494 ( 10.122 0.000 -8.968) 13.524 2.509 ( -9.454 0.000 6.320) 11.372 2.613 ( -4.848 0.000 -0.423) 4.867 2.754 ( 3.749 0.000 0.844) 3.842 2.882 ( -5.405 0.000 -5.944) 8.034 2.980 ( 7.128 0.000 -8.784) 11.312 2.993 ( 4.653 0.000 -3.992) 6.130 3.016 ( 16.638 0.000 -0.702) 16.653 3.110 ( 8.304 0.000 -4.428) 9.410 3.216 ( -1.815 0.000 -4.084) 4.469 3.347 ( 0.311 0.000 -0.845) 0.900 3.381 ( 5.716 0.000 -2.737) 6.338 3.431 ( -1.571 0.000 2.279) 2.768 3.460 ( -2.318 0.000 -0.391) 2.351 3.572 ( 2.342 0.000 -7.003) 7.384 3.639 ( 6.766 0.000 0.564) 6.789 3.804 ( -8.430 0.000 -3.304) 9.055 3.936 ( 1.476 0.000 0.809) 1.683 3.979 ( 0.180 0.000 7.581) 7.583 3.985 ( -1.431 0.000 0.319) 1.466 4.102 ( -9.712 0.000 3.098) 10.195 4.255 ( -0.491 0.000 7.277) 7.293 4.382 ( 3.294 0.000 -2.611) 4.203 4.526 ( 16.443 0.000 8.265) 18.404 4.537 ( 3.564 0.000 -2.132) 4.153 4.614 ( -3.392 0.000 0.829) 3.492 4.639 ( -5.430 0.000 11.792) 12.982 4.747 ( -2.590 0.000 -14.411) 14.642 4.847 ( -4.426 0.000 10.167) 11.088 5.027 ( 3.603 0.000 -10.362) 10.971 5.068 ( -2.281 0.000 -8.280) 8.588 5.163 ( 7.742 0.000 2.970) 8.293 5.197 ( -1.682 0.000 5.913) 6.148 5.517 ( -0.470 0.000 5.740) 5.760 5.658 ( -1.508 0.000 -2.096) 2.582 5.732 ( 4.703 0.000 3.295) 5.742 5.768 ( 5.920 0.000 7.052) 9.207 5.863 ( 1.278 0.000 6.526) 6.650 5.872 ( 1.810 0.000 -8.849) 9.032 5.984 ( -5.445 0.000 2.371) 5.939 6.061 ( 6.513 0.000 4.652) 8.004 6.130 ( -0.340 0.000 -5.691) 5.701 6.189 ( 3.998 0.000 -5.798) 7.043 6.225 ( -6.987 0.000 -4.065) 8.084 6.536 ( -0.241 0.000 -3.842) 3.849 6.556 ( -1.117 0.000 7.216) 7.302 6.697 ( 14.074 0.000 18.035) 22.876 6.874 ( -2.186 0.000 4.403) 4.916 7.054 ( -4.775 0.000 5.492) 7.277 7.124 ( 0.068 0.000 -6.217) 6.218 7.361 ( 0.034 0.000 -11.376) 11.376 7.435 ( -1.697 0.000 -3.586) 3.967 7.484 ( -1.272 0.000 3.991) 4.189 8.050 ( -5.920 0.000 -6.822) 9.033 8.064 ( -2.057 0.000 -2.545) 3.272 8.159 ( -1.540 0.000 5.101) 5.329 8.263 ( -5.912 0.000 1.020) 5.999 8.389 ( -0.973 0.000 1.723) 1.979 8.558 ( 3.078 0.000 1.247) 3.321 8.715 ( -5.327 0.000 -13.974) 14.955 8.786 ( -7.182 0.000 -6.797) 9.888 9.408 ( -6.479 0.000 -1.103) 6.572 9.461 ( 4.678 0.000 3.221) 5.679 9.514 ( 1.936 0.000 1.198) 2.277 9.600 ( 0.429 0.000 -4.029) 4.051 9.648 ( -1.281 0.000 -2.276) 2.611 9.834 ( 1.371 0.000 -3.191) 3.473 9.953 ( 0.134 0.000 -1.043) 1.052 10.051 ( -1.551 0.000 -1.490) 2.151 10.817 ( 0.600 0.000 -1.633) 1.740 11.106 ( -0.367 0.000 -4.868) 4.882 11.156 ( 0.641 0.000 0.823) 1.043 11.248 ( 4.391 0.000 3.766) 5.785 11.441 ( -1.349 0.000 2.437) 2.786 11.482 ( -0.474 0.000 2.028) 2.083 11.768 ( -1.091 0.000 -1.920) 2.208 11.847 ( -0.190 0.000 -2.440) 2.447 12.388 ( -0.305 0.000 0.563) 0.641 12.493 ( 2.516 0.000 2.854) 3.805 12.617 ( 0.768 0.000 0.391) 0.862 12.630 ( -0.014 0.000 1.844) 1.844 13.086 ( 2.370 0.000 -0.302) 2.389 13.219 ( 1.504 0.000 -2.604) 3.007 13.237 ( -1.538 0.000 0.911) 1.788 13.350 ( -2.014 0.000 1.950) 2.803 14.186 ( -0.781 0.000 -1.402) 1.605 14.258 ( 0.537 0.000 -0.608) 0.812 14.414 ( 0.591 0.000 1.897) 1.987 14.530 ( -0.443 0.000 -1.401) 1.469 14.836 ( -0.708 0.000 1.072) 1.285 14.858 ( 15.238 0.000 11.771) 19.255 14.908 ( -0.229 0.000 -0.927) 0.955 15.016 ( 1.790 0.000 2.687) 3.229 15.683 ( -1.375 0.000 -0.450) 1.447 15.806 ( 0.116 0.000 5.033) 5.035 15.868 ( 0.550 0.000 -0.797) 0.968 16.199 ( -2.812 0.000 -4.135) 5.000 16.518 ( -3.385 0.000 1.770) 3.820 16.714 ( 0.756 0.000 -2.719) 2.822 16.824 ( -2.874 0.000 2.103) 3.561 16.978 ( -1.067 0.000 -3.999) 4.139 17.288 ( -1.376 0.000 3.256) 3.535 17.394 ( 2.750 0.000 11.770) 12.087 17.402 ( -0.207 0.000 -1.004) 1.025 17.599 ( 0.193 0.000 0.065) 0.203 17.790 ( 0.532 0.000 -2.922) 2.970 18.056 ( 2.585 0.000 -1.648) 3.066 18.070 ( -0.500 0.000 2.753) 2.798 18.362 ( 2.952 0.000 -0.846) 3.071 18.567 ( -5.320 0.000 -0.394) 5.335 18.815 ( -5.691 0.000 -4.526) 7.271 18.909 ( 3.426 0.000 -2.643) 4.327 18.967 ( -3.234 0.000 4.379) 5.444 19.055 ( -15.519 0.000 -8.238) 17.570 19.242 ( 1.279 0.000 -3.139) 3.389 19.817 ( 4.431 0.000 -0.121) 4.433 20.145 ( 4.889 0.000 0.105) 4.890 25.841 ( 2.165 0.000 -3.616) 4.215 25.863 ( -0.635 0.000 -3.684) 3.739 26.041 ( -0.474 0.000 4.773) 4.796 26.097 ( 0.681 0.000 6.464) 6.500 26.488 ( 1.096 0.000 1.264) 1.672 26.527 ( 0.054 0.000 1.052) 1.054 26.600 ( 1.125 0.000 -2.259) 2.524 26.677 ( 1.833 0.000 -0.720) 1.969 26.715 ( 0.520 0.000 -0.694) 0.867 26.795 ( 3.632 0.000 -1.054) 3.781 26.843 ( 2.194 0.000 1.294) 2.547 26.877 ( -2.379 0.000 -0.104) 2.381 26.917 ( -1.263 0.000 0.805) 1.497 27.086 ( -0.058 0.000 0.486) 0.489 27.279 ( -0.848 0.000 -0.897) 1.234 27.330 ( 1.193 0.000 3.384) 3.588 27.404 ( -2.777 0.000 -0.924) 2.927 27.600 ( 2.532 0.000 0.961) 2.708 27.677 ( 0.943 0.000 5.752) 5.829 28.037 ( 11.728 0.000 8.326) 14.382 28.129 ( 2.200 0.000 -1.564) 2.699 28.480 ( 2.376 0.000 11.160) 11.410 28.523 ( 1.035 0.000 -6.316) 6.400 28.767 ( 2.747 0.000 2.514) 3.724 28.975 ( -6.710 0.000 -10.890) 12.791 29.179 ( -3.319 0.000 -12.714) 13.140 29.647 ( -0.013 0.000 7.191) 7.191 29.720 ( 18.021 0.000 11.921) 21.607 30.337 ( -0.332 0.000 1.618) 1.652 30.588 ( -5.062 0.000 2.077) 5.471 30.666 ( -11.296 0.000 0.249) 11.299 30.915 ( -15.449 0.000 -25.611) 29.910 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 2.465 25.886 11.904) 28.599 0.847 ( 1.411 27.116 12.688) 29.971 1.510 ( -0.414 39.939 23.239) 46.210 1.989 ( 2.334 1.424 -3.590) 4.513 2.059 ( -1.920 8.077 -1.787) 8.492 2.346 ( 0.266 1.824 9.224) 9.406 2.403 ( 0.190 2.208 9.085) 9.351 2.421 ( -0.548 -0.536 3.951) 4.024 2.497 ( 2.194 -8.393 -5.727) 10.394 2.622 ( -1.789 -8.692 -1.514) 9.002 2.649 ( 0.036 3.186 -7.008) 7.698 2.895 ( 4.679 -2.479 -5.052) 7.319 2.957 ( -0.699 -4.519 -0.328) 4.584 2.983 ( -0.994 -2.582 -1.522) 3.158 3.096 ( 3.553 -5.866 -0.724) 6.896 3.176 ( 3.802 -1.127 -11.008) 11.701 3.208 ( -4.141 -1.374 0.984) 4.472 3.305 ( -1.328 -0.252 -2.335) 2.698 3.333 ( 3.449 -5.982 -2.049) 7.203 3.388 ( -1.733 -2.445 -1.852) 3.523 3.498 ( -3.696 -1.409 -5.606) 6.861 3.610 ( 1.006 -2.056 -1.733) 2.871 3.673 ( -2.276 -0.842 7.867) 8.233 3.722 ( 2.738 1.542 -2.906) 4.280 3.857 ( -4.811 -3.796 1.806) 6.389 3.890 ( 0.633 -1.206 -1.417) 1.966 3.977 ( -3.737 -2.102 2.598) 5.013 4.166 ( 3.568 4.220 6.438) 8.485 4.227 ( -1.364 -1.730 7.468) 7.786 4.437 ( 1.342 2.370 5.918) 6.515 4.510 ( -3.792 4.448 -1.822) 6.123 4.566 ( -0.315 1.826 1.140) 2.176 4.647 ( -3.090 2.581 12.074) 12.728 4.734 ( 2.301 3.040 -2.529) 4.575 4.782 ( -0.255 5.267 -9.957) 11.267 4.961 ( 6.407 6.481 -1.685) 9.268 5.001 ( -0.757 -1.690 -1.611) 2.454 5.069 ( 1.177 2.645 -0.035) 2.896 5.243 ( -1.296 3.454 2.623) 4.526 5.353 ( 2.053 1.067 1.074) 2.551 5.475 ( -0.876 -1.038 3.649) 3.893 5.573 ( -0.617 -8.115 4.228) 9.171 5.648 ( -2.895 -8.952 -0.045) 9.409 5.823 ( 1.078 1.998 1.576) 2.764 5.866 ( -2.039 2.532 -3.813) 5.011 5.944 ( 6.002 -1.547 3.521) 7.128 6.027 ( -1.335 2.936 -2.454) 4.053 6.150 ( -3.097 -1.414 -3.856) 5.144 6.184 ( 1.756 2.419 -3.293) 4.447 6.190 ( 0.480 -5.337 6.005) 8.049 6.231 ( -1.162 1.119 0.424) 1.667 6.364 ( 4.082 -5.361 3.490) 7.588 6.522 ( -1.721 1.871 -4.917) 5.536 6.753 ( -1.943 -6.422 -2.778) 7.262 6.821 ( -2.084 3.019 4.636) 5.912 7.178 ( 1.150 0.487 -4.048) 4.237 7.198 ( 0.616 0.525 5.928) 5.983 7.312 ( 1.193 -0.057 -5.610) 5.736 7.364 ( 0.052 -1.189 -5.598) 5.723 7.516 ( 2.475 3.719 0.238) 4.474 7.882 ( -0.780 -5.665 -8.137) 9.945 8.041 ( -3.758 -4.843 -1.012) 6.213 8.119 ( -1.864 2.439 1.037) 3.240 8.196 ( -0.547 2.072 1.491) 2.611 8.404 ( 2.155 3.049 1.438) 4.001 8.557 ( 3.591 3.423 3.468) 6.053 8.667 ( 1.841 1.854 -1.478) 3.002 8.757 ( 0.733 -3.457 -2.348) 4.243 9.325 ( -1.630 1.480 0.341) 2.228 9.519 ( 2.540 -1.334 -0.617) 2.934 9.575 ( 0.890 1.685 -1.910) 2.698 9.647 ( -2.168 -1.025 0.282) 2.414 9.722 ( -0.543 8.203 -6.777) 10.654 9.851 ( -0.564 -3.784 -0.152) 3.828 9.968 ( 3.315 -0.232 -5.468) 6.398 10.040 ( 1.423 0.216 -4.607) 4.826 10.847 ( 1.049 0.661 -0.618) 1.386 10.921 ( -6.418 -3.299 0.460) 7.231 11.169 ( 2.344 0.422 1.948) 3.077 11.268 ( -1.246 -1.064 0.870) 1.856 11.427 ( -0.251 -1.482 3.636) 3.934 11.495 ( -0.432 2.086 0.615) 2.217 11.680 ( -0.961 -6.110 -0.853) 6.243 11.783 ( -0.669 -4.657 -2.803) 5.476 12.382 ( 0.710 -0.305 1.081) 1.329 12.452 ( -1.324 -2.287 1.344) 2.965 12.642 ( -0.251 1.227 1.207) 1.740 12.661 ( 1.022 1.482 0.735) 1.944 13.107 ( 0.547 -0.192 0.256) 0.633 13.207 ( -1.197 -1.717 -1.329) 2.479 13.314 ( 0.495 1.548 -0.787) 1.806 13.334 ( 2.148 0.777 -1.245) 2.602 14.198 ( -0.647 2.797 0.216) 2.878 14.281 ( -0.112 1.171 -0.320) 1.219 14.389 ( -1.310 -1.779 1.709) 2.793 14.504 ( -0.583 -1.853 -0.996) 2.183 14.677 ( -1.859 -1.167 7.383) 7.703 14.912 ( 0.678 0.160 -1.042) 1.253 14.975 ( 0.575 -0.820 -1.085) 1.477 15.096 ( -4.480 -1.776 -5.682) 7.451 15.730 ( 3.294 -0.417 3.284) 4.670 15.796 ( -0.474 -0.664 3.595) 3.686 15.915 ( -0.106 3.378 -1.105) 3.555 16.152 ( 0.646 -2.235 -2.753) 3.604 16.474 ( -0.404 0.157 1.105) 1.187 16.605 ( -0.960 -4.427 0.827) 4.605 16.849 ( 0.136 4.287 0.591) 4.330 16.997 ( 1.332 -0.175 -1.640) 2.120 17.286 ( 1.049 -0.316 0.995) 1.480 17.367 ( 1.196 -2.152 1.402) 2.833 17.455 ( -1.131 -3.470 7.105) 7.988 17.567 ( -1.062 -1.769 1.249) 2.412 17.736 ( 0.778 6.543 2.619) 7.090 18.059 ( 0.653 -1.132 3.425) 3.666 18.132 ( 0.243 1.896 -1.572) 2.474 18.397 ( -1.655 -0.356 -3.298) 3.707 18.524 ( 2.091 0.054 2.391) 3.177 18.721 ( 1.185 -1.423 -2.212) 2.884 18.917 ( 1.338 1.510 2.615) 3.302 18.923 ( -1.081 0.981 2.860) 3.210 19.048 ( 0.651 8.726 0.720) 8.780 19.561 ( 4.093 11.030 -14.077) 18.347 19.823 ( 0.855 -4.460 2.028) 4.973 20.101 ( -1.856 -6.001 -0.532) 6.304 25.846 ( 0.381 -2.625 -2.841) 3.887 25.862 ( -0.268 0.687 -3.762) 3.833 26.011 ( -0.177 -1.440 3.964) 4.221 26.257 ( 3.584 -0.557 -5.893) 6.920 26.512 ( 0.212 0.487 0.885) 1.032 26.541 ( 1.041 0.555 -0.751) 1.398 26.618 ( 1.182 0.520 -2.525) 2.836 26.696 ( -0.150 0.197 0.263) 0.361 26.788 ( 0.785 1.735 -1.040) 2.170 26.876 ( -0.291 5.964 -2.704) 6.555 26.894 ( -1.170 0.525 1.075) 1.673 26.932 ( 1.882 4.265 2.535) 5.306 26.974 ( 0.708 7.109 -0.479) 7.160 27.110 ( -0.223 2.515 -1.245) 2.815 27.230 ( -14.584 3.679 0.485) 15.049 27.257 ( 0.364 -1.170 -0.934) 1.541 27.378 ( 1.064 -1.779 -1.166) 2.378 27.509 ( -5.252 -5.427 7.942) 10.959 27.767 ( 3.438 2.680 7.256) 8.465 28.109 ( -17.142 4.052 -0.231) 17.616 28.116 ( -3.347 -1.755 -1.147) 3.949 28.196 ( 0.643 3.459 3.556) 5.002 28.481 ( 4.000 -5.277 -2.336) 7.022 28.622 ( 7.428 -8.826 9.438) 14.905 29.012 ( 0.665 -0.976 -12.108) 12.165 29.260 ( -1.320 -3.304 -8.865) 9.552 29.709 ( 4.472 3.095 8.294) 9.918 30.008 ( -0.307 -8.370 8.491) 11.927 30.423 ( -10.691 0.279 -3.679) 11.310 30.466 ( 2.114 -1.233 -2.758) 3.688 30.542 ( -1.479 1.366 -1.030) 2.262 30.576 ( 15.367 0.659 -2.350) 15.560 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 17.442 24.659 4.194) 30.494 1.104 ( 17.844 21.454 11.054) 30.014 1.790 ( 24.014 28.831 18.945) 42.033 2.089 ( 3.974 7.291 2.666) 8.721 2.110 ( 5.679 2.809 -3.562) 7.268 2.299 ( -2.459 -3.851 4.798) 6.625 2.397 ( -1.276 -1.391 0.039) 1.888 2.439 ( 3.672 1.157 3.517) 5.215 2.553 ( 3.628 -9.313 -3.771) 10.682 2.630 ( -0.325 3.322 -2.279) 4.042 2.637 ( 0.571 -3.598 -3.839) 5.293 2.853 ( -6.683 -2.330 1.860) 7.318 2.921 ( -7.184 1.755 4.279) 8.544 2.975 ( -0.572 -1.090 -0.619) 1.378 3.057 ( -4.156 -0.218 -4.453) 6.095 3.162 ( -3.382 -2.659 -0.782) 4.373 3.167 ( 1.734 2.745 -12.798) 13.204 3.249 ( -6.326 -2.617 -1.012) 6.921 3.353 ( 0.062 -1.531 0.787) 1.723 3.394 ( 2.329 -4.869 -4.028) 6.735 3.510 ( 2.320 -1.149 1.251) 2.875 3.598 ( 1.814 -3.514 -1.810) 4.349 3.682 ( -1.660 -0.366 -1.751) 2.440 3.764 ( -2.307 -2.903 -4.133) 5.553 3.795 ( -1.570 4.662 -4.075) 6.388 3.883 ( 6.308 -6.010 0.998) 8.770 3.899 ( -1.473 -3.570 4.923) 6.257 4.090 ( -9.254 -1.981 6.456) 11.456 4.254 ( 1.460 -1.485 4.087) 4.587 4.411 ( -6.568 -3.524 6.788) 10.081 4.483 ( -6.162 4.149 3.060) 8.034 4.523 ( 3.420 7.489 3.107) 8.800 4.644 ( 0.885 -0.600 3.108) 3.286 4.775 ( 2.905 7.548 -6.115) 10.139 4.794 ( -0.029 2.619 -10.056) 10.392 4.971 ( 0.901 8.388 7.389) 11.215 5.048 ( -0.695 1.523 -0.214) 1.688 5.100 ( 2.545 2.380 -0.460) 3.515 5.197 ( -1.803 0.621 3.061) 3.606 5.370 ( -0.261 1.210 4.923) 5.076 5.439 ( -0.817 -5.217 -0.039) 5.281 5.586 ( 0.069 -7.705 2.512) 8.104 5.622 ( 0.753 -6.112 2.312) 6.578 5.789 ( -4.001 0.996 -4.364) 6.004 5.856 ( -0.452 6.340 3.545) 7.278 5.897 ( -9.148 1.289 1.615) 9.378 5.982 ( -9.829 -2.008 -1.766) 10.187 6.059 ( 2.520 -1.998 -0.208) 3.222 6.186 ( 0.177 -7.795 5.338) 9.450 6.208 ( -2.162 0.151 3.720) 4.305 6.224 ( 0.461 -2.707 0.549) 2.800 6.434 ( 3.354 -3.114 1.687) 4.878 6.494 ( 0.157 3.164 -6.789) 7.492 6.742 ( 0.912 -5.480 -5.500) 7.817 6.801 ( 0.603 2.948 1.971) 3.597 7.094 ( -6.513 9.099 8.302) 13.933 7.198 ( 2.280 2.436 -1.363) 3.604 7.367 ( 2.344 -1.421 -8.142) 8.591 7.382 ( 2.047 3.013 -5.120) 6.283 7.558 ( 1.743 2.735 1.836) 3.726 7.969 ( 7.935 -7.673 -6.201) 12.661 8.002 ( 0.424 -5.362 -2.350) 5.870 8.132 ( 2.313 0.357 -0.089) 2.342 8.217 ( 1.736 1.557 1.482) 2.763 8.400 ( -0.293 6.457 -0.191) 6.467 8.628 ( -0.485 2.003 1.937) 2.829 8.739 ( -1.677 -1.282 -2.260) 3.093 8.896 ( 13.967 -10.377 -1.963) 17.510 9.336 ( 2.129 -0.281 -1.327) 2.525 9.478 ( -5.171 3.298 1.294) 6.268 9.594 ( -3.094 -2.102 0.388) 3.761 9.642 ( 1.362 -1.211 -3.139) 3.630 9.696 ( 1.383 2.932 -7.235) 7.928 9.852 ( 0.278 -2.423 -1.307) 2.767 9.985 ( -1.313 0.748 -2.377) 2.817 10.040 ( -0.799 0.824 -2.547) 2.794 10.861 ( 1.053 0.514 -2.148) 2.446 10.868 ( 0.946 0.511 0.469) 1.173 11.184 ( -4.759 0.433 0.820) 4.849 11.229 ( 1.922 -0.625 2.522) 3.231 11.429 ( -0.234 -2.272 3.364) 4.066 11.497 ( 0.377 1.617 1.828) 2.469 11.676 ( 0.684 -6.183 -1.855) 6.491 11.768 ( -0.643 -4.841 -2.993) 5.728 12.397 ( 0.618 -0.035 0.832) 1.037 12.426 ( -0.718 0.223 1.497) 1.675 12.635 ( -0.426 1.099 1.108) 1.618 12.676 ( 0.274 1.291 1.314) 1.862 13.105 ( -0.768 -0.325 0.327) 0.896 13.160 ( -2.247 -0.002 -1.813) 2.887 13.339 ( 1.390 -1.298 1.596) 2.483 13.355 ( -0.170 -0.599 -1.465) 1.592 14.189 ( -0.211 2.078 0.894) 2.272 14.272 ( -0.350 2.552 -0.905) 2.730 14.357 ( -1.785 -2.298 0.904) 3.047 14.490 ( -0.895 -2.135 0.607) 2.393 14.643 ( -1.273 3.361 4.759) 5.964 14.919 ( -0.573 1.182 -0.604) 1.445 14.963 ( -4.115 2.395 -0.236) 4.767 14.996 ( 1.123 -0.169 -1.343) 1.758 15.742 ( -1.256 -1.058 2.623) 3.095 15.782 ( -0.785 -0.606 3.432) 3.573 15.937 ( 1.460 4.667 -1.639) 5.158 16.212 ( 4.538 -2.798 -2.299) 5.806 16.491 ( 2.074 0.290 0.605) 2.180 16.601 ( 0.554 -3.242 0.690) 3.360 16.881 ( 2.257 5.189 -0.433) 5.675 17.015 ( 0.424 -0.449 -0.518) 0.806 17.321 ( 1.674 -2.144 0.812) 2.839 17.372 ( -1.122 -1.234 4.594) 4.887 17.414 ( -1.098 -2.393 1.577) 3.069 17.541 ( -1.181 -2.533 0.408) 2.825 17.801 ( 3.693 5.543 1.509) 6.830 18.077 ( 0.772 -0.600 3.706) 3.833 18.102 ( -2.285 3.787 -1.054) 4.547 18.375 ( -0.372 0.725 -2.614) 2.738 18.576 ( 2.389 -1.097 1.063) 2.836 18.778 ( 2.489 -1.236 -2.365) 3.649 18.870 ( -3.712 4.262 0.525) 5.676 19.051 ( 2.461 2.158 2.801) 4.308 19.068 ( 7.886 -3.791 -0.035) 8.750 19.610 ( 1.631 5.849 -9.822) 11.547 19.796 ( -3.375 -5.679 2.495) 7.062 19.999 ( -7.450 -3.844 -1.553) 8.526 25.842 ( -0.546 -2.349 -2.834) 3.722 25.858 ( -0.017 0.403 -3.846) 3.867 26.003 ( -0.624 -1.324 4.171) 4.420 26.254 ( -3.426 -0.799 -0.969) 3.649 26.501 ( -1.363 0.551 0.423) 1.530 26.545 ( -0.881 0.300 0.013) 0.930 26.630 ( -0.418 0.488 -2.518) 2.598 26.689 ( -0.630 -0.837 -0.765) 1.297 26.706 ( -5.382 5.494 2.584) 8.114 26.843 ( -5.878 4.376 -0.043) 7.328 26.869 ( -1.494 6.218 -1.735) 6.626 26.963 ( -0.068 2.878 2.391) 3.743 26.985 ( 4.897 1.363 -2.862) 5.833 27.014 ( 0.369 6.962 1.134) 7.064 27.142 ( 0.501 2.050 -0.206) 2.120 27.271 ( 0.999 -0.683 -0.700) 1.398 27.390 ( -0.119 -3.066 0.392) 3.094 27.437 ( -1.568 -3.000 8.625) 9.265 27.826 ( -6.620 10.044 1.373) 12.107 27.857 ( 1.865 4.906 5.993) 7.966 28.066 ( -1.955 -4.472 -0.424) 4.899 28.293 ( 6.078 5.414 2.450) 8.500 28.496 ( -0.269 -1.842 -4.610) 4.971 28.695 ( -0.612 -3.047 1.383) 3.402 29.104 ( 6.334 -8.255 -7.309) 12.716 29.188 ( -4.395 -6.599 -9.044) 12.027 29.728 ( -4.924 1.184 8.481) 9.878 29.812 ( -8.974 0.357 9.870) 13.345 30.286 ( -2.400 1.527 -1.590) 3.259 30.486 ( 3.893 -3.785 -1.477) 5.627 30.628 ( 7.626 3.545 -3.124) 8.972 31.033 ( 15.967 -11.801 -7.824) 21.341 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 20.539 14.109 4.580) 25.336 1.485 ( 19.182 16.946 4.987) 26.077 1.923 ( -13.995 9.891 6.242) 18.239 2.188 ( 3.275 -1.347 -2.012) 4.072 2.224 ( 9.127 5.432 1.099) 10.678 2.317 ( -3.155 -1.250 -5.512) 6.472 2.351 ( -3.843 -3.625 -0.753) 5.336 2.528 ( -7.759 -2.987 -5.903) 10.197 2.584 ( -4.103 1.217 1.905) 4.684 2.649 ( 9.447 -1.885 -2.839) 10.042 2.740 ( 8.003 -1.593 -1.225) 8.252 2.798 ( 5.411 7.984 6.896) 11.857 2.821 ( 11.048 2.989 1.813) 11.587 2.921 ( -6.550 4.813 1.559) 8.276 2.972 ( -3.449 -4.690 -0.064) 5.822 3.028 ( -3.224 -2.273 -1.396) 4.185 3.127 ( -2.952 3.509 -7.305) 8.625 3.331 ( 2.411 4.692 -6.462) 8.342 3.363 ( 1.711 2.408 -1.089) 3.149 3.448 ( 7.323 2.222 -1.118) 7.734 3.525 ( 2.053 -4.122 -3.456) 5.757 3.534 ( -3.636 -0.572 -0.225) 3.688 3.663 ( 0.458 -0.257 5.216) 5.242 3.750 ( -2.413 -6.856 -0.605) 7.293 3.854 ( -2.454 0.419 -2.164) 3.298 3.906 ( -0.873 -2.142 -4.221) 4.813 3.944 ( 5.851 -3.539 3.629) 7.741 3.994 ( -0.063 -4.637 5.686) 7.337 4.232 ( -6.632 3.678 4.505) 8.820 4.263 ( -7.665 -3.467 5.586) 10.099 4.307 ( -8.525 1.920 3.081) 9.266 4.508 ( -1.099 0.919 6.194) 6.357 4.626 ( -7.083 2.169 -1.650) 7.589 4.776 ( -0.159 2.513 -4.882) 5.494 4.858 ( 4.075 2.980 -0.024) 5.049 4.927 ( -1.470 7.454 -3.759) 8.477 5.072 ( -0.144 5.400 1.145) 5.522 5.171 ( 7.239 0.654 5.355) 9.028 5.241 ( 3.309 -8.252 3.560) 9.577 5.335 ( -1.776 1.156 3.456) 4.054 5.453 ( 1.097 -0.159 -1.310) 1.716 5.518 ( -5.314 -4.002 5.587) 8.688 5.659 ( -7.899 -2.264 -1.334) 8.324 5.704 ( -3.802 0.928 -1.740) 4.283 5.724 ( 5.351 -6.124 3.214) 8.745 5.839 ( -5.054 0.874 1.631) 5.382 5.856 ( -1.137 4.102 -0.333) 4.270 6.048 ( -3.916 -3.452 3.846) 6.485 6.141 ( -2.671 -1.047 -0.692) 2.951 6.183 ( -0.698 -1.338 1.176) 1.914 6.215 ( -0.085 -8.450 5.194) 9.919 6.523 ( 3.206 2.690 -7.503) 8.591 6.539 ( 4.130 -2.780 0.701) 5.028 6.787 ( 3.799 -0.963 -3.664) 5.365 6.825 ( 1.312 -1.199 -2.766) 3.288 7.000 ( -3.558 8.986 5.490) 11.115 7.247 ( 1.553 0.369 1.639) 2.287 7.363 ( -1.506 2.550 -4.397) 5.302 7.450 ( 3.485 2.277 -5.915) 7.234 7.584 ( 1.014 2.001 0.496) 2.298 8.040 ( 3.680 -5.004 -0.407) 6.224 8.136 ( 6.193 -6.744 -3.565) 9.825 8.185 ( 2.606 0.741 -0.468) 2.749 8.247 ( 1.319 -2.067 1.389) 2.818 8.443 ( 4.622 6.768 -2.416) 8.544 8.600 ( -1.915 2.950 1.157) 3.702 8.689 ( -2.342 1.539 -3.046) 4.139 9.034 ( 0.132 -6.689 -0.556) 6.713 9.364 ( -5.277 3.208 0.571) 6.202 9.379 ( 1.889 -2.430 -0.823) 3.186 9.526 ( -2.734 -1.730 0.510) 3.276 9.614 ( -1.005 2.517 -3.268) 4.246 9.770 ( 2.252 -1.662 -5.763) 6.407 9.850 ( -0.391 -0.644 -2.590) 2.697 9.938 ( -1.639 0.493 1.648) 2.376 10.051 ( 1.196 -0.877 -2.667) 3.052 10.881 ( 0.222 0.811 0.829) 1.181 10.914 ( 3.217 -0.351 -3.530) 4.789 11.092 ( -3.474 0.814 1.413) 3.838 11.247 ( -0.683 -2.414 0.991) 2.698 11.427 ( 0.162 -1.474 3.446) 3.751 11.506 ( 0.558 1.669 3.006) 3.483 11.697 ( 1.045 -5.658 -1.592) 5.970 11.761 ( 0.135 -5.271 -2.699) 5.923 12.410 ( 0.806 0.259 0.320) 0.905 12.423 ( -0.024 0.321 1.227) 1.268 12.626 ( -0.397 0.727 1.187) 1.448 12.669 ( -0.915 1.278 1.710) 2.322 13.084 ( -1.415 -0.363 -0.838) 1.684 13.130 ( -0.570 -1.227 -2.150) 2.541 13.338 ( -0.347 -0.353 0.674) 0.837 13.362 ( -0.046 -2.100 2.936) 3.610 14.189 ( 0.226 0.426 0.301) 0.569 14.273 ( 0.193 3.200 -1.314) 3.465 14.326 ( -0.993 -2.086 0.958) 2.501 14.476 ( -0.276 -1.857 1.715) 2.542 14.629 ( -0.450 4.966 2.161) 5.435 14.896 ( -0.524 2.341 0.379) 2.429 14.930 ( -0.947 -0.647 0.523) 1.260 15.021 ( 0.964 -0.049 -1.113) 1.473 15.717 ( -1.021 -1.085 2.097) 2.572 15.771 ( -0.400 -0.829 3.862) 3.970 15.960 ( 0.811 6.969 -1.661) 7.210 16.290 ( 2.761 -2.062 -3.054) 4.605 16.545 ( 2.835 -0.355 0.149) 2.861 16.615 ( 0.671 -3.409 0.188) 3.480 16.927 ( 2.186 5.162 -0.503) 5.628 17.020 ( 0.227 -0.004 -0.765) 0.798 17.329 ( -0.712 -1.362 2.449) 2.891 17.368 ( 0.942 -0.285 4.035) 4.154 17.416 ( 1.093 -2.288 0.830) 2.667 17.519 ( -1.417 -4.461 -0.438) 4.702 17.854 ( 1.327 5.881 1.054) 6.121 18.053 ( -1.466 3.880 -1.676) 4.474 18.101 ( 0.616 1.767 3.620) 4.075 18.373 ( -0.037 3.367 -0.352) 3.385 18.603 ( 0.628 -2.025 -2.438) 3.231 18.772 ( -3.147 5.374 -2.409) 6.678 18.868 ( 3.959 -2.448 0.223) 4.660 19.065 ( 1.263 7.142 2.657) 7.724 19.204 ( 3.315 -6.522 0.359) 7.324 19.648 ( 1.116 -1.405 -1.881) 2.600 19.718 ( -2.421 -6.387 -0.852) 6.883 19.832 ( -8.722 -2.934 -3.170) 9.733 25.827 ( -0.742 -1.448 -3.105) 3.506 25.863 ( 0.511 0.275 -3.870) 3.913 25.995 ( -0.280 -2.049 4.750) 5.181 26.180 ( -3.157 0.589 3.609) 4.831 26.479 ( -0.309 0.484 0.128) 0.588 26.524 ( -1.028 -0.297 0.874) 1.381 26.605 ( -1.321 0.969 -1.258) 2.066 26.636 ( -1.779 -0.209 -0.729) 1.934 26.701 ( -0.298 3.154 0.933) 3.302 26.749 ( -2.228 4.175 -1.586) 4.991 26.853 ( -0.667 3.642 -0.887) 3.808 26.968 ( 0.041 2.967 2.126) 3.650 27.026 ( 0.477 6.821 -0.065) 6.838 27.088 ( 4.610 -1.451 -5.159) 7.069 27.150 ( 0.208 1.537 1.269) 2.004 27.296 ( 1.435 -0.448 -0.505) 1.585 27.389 ( 0.577 -3.163 2.527) 4.090 27.437 ( 0.744 -1.882 8.977) 9.202 27.730 ( -2.626 11.645 1.633) 12.049 27.877 ( -0.674 2.356 3.769) 4.496 28.034 ( -1.400 -4.392 -0.070) 4.611 28.395 ( 2.218 -0.111 -0.492) 2.274 28.527 ( 4.597 2.706 -2.019) 5.703 28.655 ( -2.331 0.347 -1.800) 2.965 29.076 ( -3.658 -5.139 -8.369) 10.481 29.241 ( 4.793 -6.340 -8.091) 11.342 29.568 ( -7.947 -1.169 9.891) 12.742 29.709 ( -4.453 -2.334 5.568) 7.502 30.287 ( 1.637 1.402 0.461) 2.204 30.579 ( 4.454 -4.836 0.976) 6.647 30.797 ( 8.588 3.994 -6.805) 11.662 31.177 ( 0.677 -7.160 -5.005) 8.762 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -18.383 11.288 2.054) 21.670 1.736 ( 8.888 4.985 9.955) 14.246 1.843 ( 12.714 8.821 -9.365) 18.088 2.071 ( -11.827 10.209 -1.103) 15.663 2.241 ( -1.066 -1.684 0.816) 2.154 2.284 ( -2.526 -0.500 1.390) 2.927 2.332 ( 3.853 -0.842 -5.959) 7.146 2.432 ( 1.516 -1.444 -3.147) 3.780 2.579 ( 3.910 2.378 -0.659) 4.624 2.661 ( -3.570 -2.202 -0.445) 4.218 2.720 ( -7.284 0.157 4.535) 8.582 2.825 ( 2.155 0.782 -1.591) 2.791 2.886 ( -0.252 -2.453 -0.921) 2.632 2.998 ( 2.147 4.999 -2.641) 6.048 3.023 ( 4.142 -9.592 -5.242) 11.689 3.085 ( 2.145 -1.470 -5.822) 6.376 3.227 ( 2.990 4.109 -0.146) 5.084 3.342 ( 0.740 4.266 -3.654) 5.666 3.439 ( 3.622 4.926 -4.846) 7.802 3.460 ( 1.309 0.293 -1.400) 1.939 3.588 ( -9.279 0.298 5.514) 10.797 3.602 ( 2.656 1.769 0.594) 3.246 3.658 ( -6.032 -0.347 4.014) 7.254 3.667 ( -5.407 5.661 0.558) 7.848 3.785 ( -4.427 -4.522 -4.490) 7.759 3.834 ( 15.938 0.724 4.079) 16.468 3.954 ( 2.199 0.641 5.789) 6.225 4.067 ( 0.064 -5.410 3.519) 6.454 4.102 ( -1.101 4.121 6.840) 8.061 4.220 ( 4.416 -4.156 -0.225) 6.068 4.235 ( -0.464 3.030 5.507) 6.303 4.327 ( -7.387 -0.523 6.349) 9.755 4.630 ( -2.220 3.492 -0.079) 4.139 4.763 ( 3.392 1.422 -1.263) 3.889 4.920 ( -0.436 -0.164 -1.894) 1.950 4.970 ( 3.260 4.366 -7.688) 9.423 5.026 ( -1.300 3.076 -3.336) 4.720 5.189 ( -5.612 -2.800 4.371) 7.645 5.219 ( -6.504 -4.092 1.077) 7.760 5.365 ( 0.451 -4.342 6.351) 7.706 5.446 ( -0.146 -0.957 5.375) 5.461 5.510 ( 4.584 4.211 0.537) 6.247 5.572 ( 1.057 2.124 1.115) 2.621 5.679 ( 1.495 0.043 -0.748) 1.672 5.761 ( -1.933 0.500 6.691) 6.982 5.847 ( 1.072 -0.808 0.481) 1.426 5.865 ( 6.552 -7.149 1.255) 9.778 5.977 ( -1.113 -5.205 0.465) 5.343 6.103 ( -1.542 2.562 5.454) 6.220 6.160 ( -1.701 -2.496 -1.892) 3.564 6.238 ( 1.551 -7.572 1.390) 7.853 6.552 ( -1.530 -0.375 -2.548) 2.995 6.560 ( -1.044 1.350 -6.348) 6.573 6.825 ( -0.332 5.375 2.019) 5.751 6.888 ( 2.158 -1.570 -1.876) 3.262 6.962 ( 2.235 0.870 -4.059) 4.715 7.236 ( -2.787 -1.400 3.883) 4.981 7.335 ( -0.934 4.219 -2.881) 5.193 7.475 ( -0.426 -1.997 -4.218) 4.686 7.607 ( 0.527 4.427 -1.567) 4.726 8.091 ( -0.032 -6.016 0.708) 6.057 8.175 ( -0.510 -1.470 -2.011) 2.543 8.255 ( 3.394 0.605 1.701) 3.844 8.277 ( 1.756 -2.074 1.657) 3.183 8.475 ( -2.143 2.543 -2.238) 4.008 8.576 ( -1.047 5.722 1.672) 6.053 8.704 ( 3.652 0.496 -8.048) 8.852 8.957 ( -5.702 -3.114 -0.826) 6.550 9.306 ( 0.124 2.749 0.086) 2.753 9.417 ( 2.050 -2.332 1.984) 3.684 9.494 ( -0.935 0.419 0.372) 1.090 9.625 ( 2.113 0.183 -2.510) 3.286 9.755 ( -2.442 3.788 -5.399) 7.033 9.842 ( -0.720 -1.246 -3.273) 3.576 9.929 ( -0.152 -2.581 0.959) 2.758 10.062 ( -0.214 -2.538 -3.104) 4.015 10.869 ( -1.380 1.182 -0.241) 1.833 10.971 ( 2.669 -1.295 -1.775) 3.457 11.070 ( 1.248 0.229 2.745) 3.024 11.213 ( -2.294 -2.431 -1.272) 3.576 11.433 ( 0.266 -0.927 3.609) 3.736 11.520 ( 0.670 1.847 3.377) 3.907 11.710 ( 0.383 -5.389 -0.634) 5.439 11.772 ( 0.900 -5.414 -2.207) 5.916 12.413 ( -0.731 -0.135 0.332) 0.814 12.432 ( 0.895 0.038 0.944) 1.302 12.622 ( 0.025 0.531 1.103) 1.224 12.648 ( -0.987 1.071 1.502) 2.092 13.054 ( -1.058 0.269 -2.097) 2.364 13.138 ( 1.091 -2.106 -2.038) 3.127 13.336 ( -0.951 -0.999 2.258) 2.646 13.347 ( -0.528 -0.843 2.596) 2.780 14.199 ( 0.799 -0.145 0.288) 0.862 14.261 ( -1.156 1.047 -1.918) 2.472 14.338 ( 1.870 -0.054 2.005) 2.743 14.485 ( 1.123 -2.145 1.869) 3.059 14.626 ( 0.283 5.071 2.194) 5.533 14.892 ( -0.655 -0.911 1.556) 1.919 14.911 ( -0.422 1.369 -1.288) 1.926 15.030 ( 0.018 0.113 -1.091) 1.097 15.702 ( -0.588 -1.098 1.669) 2.082 15.770 ( 0.207 -1.067 4.298) 4.433 15.967 ( -0.026 7.999 -1.649) 8.167 16.307 ( -0.914 -1.222 -3.997) 4.278 16.582 ( 0.468 -1.221 0.561) 1.423 16.625 ( 0.332 -4.048 -0.297) 4.073 16.955 ( 0.466 4.600 0.054) 4.624 17.022 ( -0.163 0.623 -1.215) 1.375 17.315 ( -0.692 -0.737 2.255) 2.471 17.387 ( 0.625 0.062 5.434) 5.470 17.454 ( 1.100 -1.374 0.412) 1.807 17.480 ( -1.100 -5.922 -1.187) 6.139 17.853 ( -1.085 5.838 0.467) 5.956 18.045 ( 0.484 5.084 -1.669) 5.373 18.101 ( -0.766 1.511 2.992) 3.438 18.375 ( 0.442 6.808 2.445) 7.247 18.608 ( -0.195 -4.141 -5.513) 6.897 18.749 ( 1.441 3.855 -3.640) 5.495 18.925 ( 1.387 -2.996 2.595) 4.199 19.100 ( 0.745 6.597 5.815) 8.825 19.216 ( -1.288 -2.920 -0.777) 3.284 19.565 ( -6.687 -3.212 -7.011) 10.207 19.674 ( -4.070 -3.136 -0.786) 5.198 19.806 ( 6.626 -6.317 -0.692) 9.181 25.816 ( -0.246 -0.858 -3.359) 3.475 25.873 ( 0.558 0.156 -3.842) 3.885 25.994 ( 0.053 -2.684 5.170) 5.825 26.137 ( -1.297 0.112 3.559) 3.789 26.485 ( 0.308 0.409 0.230) 0.561 26.510 ( 0.024 -0.431 0.487) 0.651 26.584 ( -0.731 0.496 -1.751) 1.961 26.616 ( -0.165 -0.523 -0.174) 0.576 26.679 ( -0.170 3.086 1.104) 3.282 26.755 ( 1.355 3.127 -1.003) 3.553 26.846 ( 0.264 4.126 -1.822) 4.518 26.966 ( -0.241 3.309 0.455) 3.349 27.029 ( -0.274 6.967 -0.706) 7.008 27.130 ( -0.649 0.873 2.293) 2.538 27.173 ( 2.676 -2.344 -2.773) 4.510 27.321 ( 0.964 0.010 -0.385) 1.038 27.414 ( 1.489 -1.817 4.876) 5.412 27.463 ( 1.615 -1.902 9.325) 9.653 27.720 ( 1.651 9.845 3.507) 10.581 27.850 ( -1.802 2.770 1.778) 3.752 28.018 ( 0.166 -3.472 -0.007) 3.476 28.400 ( -0.502 -5.038 -2.034) 5.456 28.584 ( -1.032 2.308 -3.215) 4.090 28.654 ( 2.481 2.059 0.289) 3.237 29.048 ( 1.264 -0.518 -8.932) 9.036 29.291 ( 0.273 -3.214 -10.141) 10.641 29.455 ( -3.212 -2.721 9.533) 10.421 29.634 ( -2.865 -6.231 4.366) 8.129 30.323 ( 1.520 1.428 2.052) 2.926 30.639 ( 1.168 -4.926 3.021) 5.896 30.933 ( 4.418 1.872 -9.516) 10.657 31.113 ( -5.984 -2.947 -3.375) 7.475 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -19.793 16.867 0.441) 26.009 1.536 ( -20.733 12.989 9.316) 26.179 1.974 ( 1.611 2.373 -8.398) 8.874 2.137 ( 5.154 7.408 2.807) 9.451 2.172 ( -1.044 0.001 0.597) 1.203 2.268 ( 1.747 -1.744 -1.951) 3.147 2.377 ( -4.565 -0.676 2.251) 5.135 2.525 ( 1.410 3.344 -4.825) 6.037 2.646 ( 0.486 -4.261 -0.194) 4.293 2.658 ( 5.939 1.277 2.110) 6.431 2.695 ( 2.709 1.778 -2.890) 4.342 2.765 ( -15.404 0.853 3.756) 15.878 2.828 ( -0.793 -1.390 0.615) 1.714 2.932 ( -4.903 1.293 0.644) 5.112 2.996 ( -5.515 0.524 -0.065) 5.540 3.056 ( -1.090 5.520 -7.334) 9.244 3.226 ( 3.994 -1.368 -6.902) 8.091 3.298 ( -1.604 -2.966 -12.905) 13.338 3.352 ( 0.739 -0.595 3.819) 3.935 3.440 ( -4.009 0.870 2.943) 5.049 3.474 ( -2.939 -2.675 1.090) 4.121 3.545 ( -1.153 2.233 0.543) 2.571 3.616 ( 2.047 6.667 3.536) 7.820 3.785 ( 1.765 -7.849 -1.680) 8.219 3.891 ( 9.018 1.662 -2.171) 9.423 3.910 ( 3.177 -2.624 5.805) 7.119 3.976 ( -6.399 -1.479 8.235) 10.534 4.144 ( 3.945 -1.531 1.608) 4.527 4.200 ( 3.038 -7.163 0.607) 7.804 4.269 ( 7.401 3.514 8.388) 11.725 4.355 ( 3.530 1.087 6.911) 7.836 4.433 ( 13.987 3.260 -3.445) 14.769 4.557 ( 3.360 6.952 -0.407) 7.732 4.787 ( -3.768 2.217 -3.175) 5.403 4.845 ( -2.925 -1.013 -1.668) 3.516 4.990 ( -5.674 1.108 0.307) 5.790 5.036 ( -3.354 1.442 0.262) 3.661 5.053 ( -0.835 1.224 -5.001) 5.216 5.152 ( 2.699 2.114 0.747) 3.509 5.312 ( -3.904 1.435 3.438) 5.397 5.443 ( 0.034 -4.525 7.140) 8.454 5.597 ( 4.206 1.249 -0.164) 4.391 5.634 ( 2.241 1.026 1.731) 3.012 5.706 ( 0.298 -3.064 1.029) 3.246 5.801 ( 4.518 2.133 1.789) 5.307 5.925 ( 7.122 -2.530 2.086) 7.840 5.970 ( 3.739 -2.358 3.893) 5.890 6.018 ( 2.269 -3.225 4.592) 6.053 6.084 ( 0.926 1.689 0.292) 1.948 6.116 ( -2.436 -2.649 -1.889) 4.064 6.253 ( -0.138 -8.037 2.960) 8.566 6.443 ( -6.988 -0.167 -4.511) 8.319 6.553 ( -0.169 2.972 -5.371) 6.141 6.809 ( -0.622 8.235 3.607) 9.011 6.867 ( -2.156 -1.653 2.788) 3.892 7.067 ( 5.321 -3.892 -8.424) 10.697 7.155 ( -4.564 -0.566 3.634) 5.862 7.328 ( 0.111 3.358 -3.008) 4.510 7.445 ( -2.313 -3.855 -4.595) 6.428 7.584 ( -2.568 4.628 -1.559) 5.518 8.035 ( -4.394 -6.018 -0.584) 7.474 8.153 ( -2.024 -1.483 -2.206) 3.340 8.248 ( -2.612 2.359 4.213) 5.490 8.314 ( -1.004 -3.611 3.338) 5.019 8.436 ( -0.958 3.850 -2.661) 4.777 8.570 ( 0.890 5.857 0.392) 5.937 8.704 ( -2.640 -2.899 -6.564) 7.646 8.885 ( -2.501 -1.293 -4.582) 5.379 9.360 ( 4.098 0.646 -0.586) 4.190 9.448 ( 0.199 -1.148 3.159) 3.367 9.495 ( 1.555 2.594 1.141) 3.232 9.681 ( 2.509 2.382 -2.443) 4.235 9.713 ( -0.393 3.654 -6.783) 7.715 9.813 ( -1.636 -1.322 -3.302) 3.915 9.915 ( -1.273 -3.370 0.172) 3.607 10.046 ( -1.020 -3.150 -2.713) 4.280 10.841 ( -1.070 1.595 -1.273) 2.304 11.017 ( 1.687 -3.157 -0.453) 3.609 11.125 ( 3.229 -1.385 3.001) 4.621 11.174 ( -0.811 -1.161 -1.091) 1.788 11.438 ( 0.129 -0.436 3.228) 3.260 11.528 ( -0.100 2.223 2.071) 3.040 11.713 ( -0.081 -5.541 -0.503) 5.565 11.788 ( 0.591 -5.041 -1.790) 5.382 12.392 ( -1.151 -0.435 0.365) 1.283 12.448 ( 0.663 -0.771 1.633) 1.924 12.628 ( 0.440 1.097 0.562) 1.309 12.638 ( -0.026 0.832 1.518) 1.732 13.052 ( 0.970 0.417 -1.566) 1.889 13.162 ( 1.298 -1.955 -1.531) 2.802 13.297 ( -1.958 0.239 0.387) 2.010 13.353 ( 0.256 -1.000 2.740) 2.928 14.215 ( 0.301 0.830 0.007) 0.883 14.247 ( 0.302 0.468 -0.992) 1.138 14.380 ( 1.915 -0.167 2.260) 2.967 14.511 ( 1.009 -2.622 0.233) 2.819 14.652 ( 2.385 3.377 6.067) 7.342 14.878 ( 0.235 0.571 -0.250) 0.666 14.913 ( 0.314 0.629 -0.777) 1.048 15.025 ( -0.350 -0.092 -0.695) 0.783 15.692 ( -0.573 -0.581 1.139) 1.401 15.781 ( 0.704 -1.248 4.432) 4.657 15.959 ( -0.765 7.303 -1.627) 7.521 16.260 ( -3.481 -0.908 -4.370) 5.660 16.562 ( -2.283 -1.580 1.065) 2.973 16.625 ( -0.283 -4.691 -0.126) 4.701 16.942 ( -1.808 3.994 0.101) 4.385 17.010 ( -0.991 0.862 -1.524) 2.011 17.304 ( -0.508 -0.575 1.949) 2.095 17.378 ( -2.248 -1.052 3.804) 4.542 17.420 ( -0.536 -1.051 3.054) 3.274 17.529 ( 2.977 -3.035 -1.135) 4.400 17.825 ( -1.672 4.694 -0.561) 5.015 18.064 ( 1.435 4.867 -1.414) 5.267 18.078 ( -1.281 0.267 2.531) 2.849 18.396 ( 1.523 7.127 1.766) 7.499 18.580 ( -2.714 -5.974 -3.859) 7.612 18.811 ( 3.984 2.222 -0.867) 4.644 18.939 ( -0.099 -3.479 2.482) 4.274 19.062 ( -3.641 7.398 4.241) 9.272 19.139 ( -7.411 -4.622 -3.334) 9.349 19.459 ( -2.117 6.330 -7.674) 10.170 19.677 ( 3.574 -4.779 -1.810) 6.236 19.947 ( 7.028 -6.740 0.560) 9.753 25.817 ( 0.435 -0.618 -3.562) 3.641 25.879 ( -0.003 0.186 -3.593) 3.598 25.999 ( 0.290 -2.452 5.033) 5.606 26.130 ( 0.601 0.636 2.121) 2.294 26.485 ( 0.190 0.686 0.793) 1.066 26.521 ( 0.370 -0.353 0.453) 0.683 26.579 ( 0.308 0.374 -2.125) 2.179 26.634 ( 1.971 -0.675 -0.509) 2.145 26.706 ( 2.347 2.615 1.016) 3.658 26.792 ( 2.428 3.485 0.273) 4.256 26.862 ( 1.239 4.550 -1.550) 4.964 26.958 ( -0.657 3.503 -1.101) 3.730 27.011 ( -1.406 6.859 -0.088) 7.002 27.109 ( -1.076 1.076 2.366) 2.814 27.221 ( 1.982 -3.121 -1.170) 3.878 27.333 ( 0.424 0.571 -0.435) 0.834 27.431 ( -0.267 -0.534 7.374) 7.398 27.506 ( 2.476 -2.049 6.638) 7.375 27.782 ( 1.077 9.957 2.878) 10.420 27.839 ( 4.514 0.556 5.314) 6.995 28.044 ( 2.330 -3.556 0.027) 4.252 28.386 ( -1.219 -5.363 -1.361) 5.665 28.540 ( -2.323 -0.239 -1.537) 2.795 28.671 ( -1.408 -2.538 -1.441) 3.240 29.098 ( 2.625 3.637 -9.649) 10.640 29.257 ( -2.561 -0.749 -11.441) 11.748 29.464 ( 4.276 -3.428 9.974) 11.381 29.611 ( 0.787 -4.830 5.157) 7.110 30.342 ( 0.496 1.111 2.263) 2.570 30.621 ( -2.950 -4.731 3.426) 6.544 30.895 ( -9.005 0.325 -3.488) 9.663 31.009 ( -3.680 -2.722 -11.773) 12.631 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -10.196 25.566 5.618) 28.091 1.115 ( -20.582 18.809 12.194) 30.432 1.797 ( -24.422 22.186 15.505) 36.456 1.996 ( -1.395 3.449 -7.988) 8.812 2.183 ( -9.895 13.525 7.418) 18.326 2.286 ( 3.684 -0.134 6.270) 7.273 2.350 ( 4.545 -5.253 -3.343) 7.709 2.451 ( 1.912 0.218 -4.878) 5.244 2.529 ( -8.783 -2.858 7.400) 11.835 2.662 ( -0.399 -4.747 -7.624) 8.990 2.680 ( -2.890 2.396 0.135) 3.757 2.840 ( 0.895 -4.069 -5.177) 6.645 2.904 ( 5.770 -0.128 -0.522) 5.795 2.927 ( 8.333 -5.603 -0.115) 10.042 2.950 ( 3.348 -4.042 -0.340) 5.260 3.154 ( 5.313 2.785 -5.975) 8.467 3.208 ( -2.849 -1.065 -4.685) 5.586 3.277 ( 0.515 -5.434 -9.587) 11.032 3.358 ( -1.975 -4.924 -0.236) 5.310 3.440 ( -0.806 0.794 0.123) 1.138 3.495 ( 6.927 2.886 1.900) 7.741 3.536 ( 0.285 1.286 -2.823) 3.115 3.674 ( 3.968 2.397 2.321) 5.185 3.804 ( -8.456 -0.619 -3.605) 9.213 3.840 ( 1.550 -7.435 3.032) 8.178 3.948 ( -1.711 -2.965 3.935) 5.216 3.975 ( 1.066 -1.197 6.959) 7.141 4.134 ( -0.789 3.903 3.431) 5.256 4.279 ( -1.696 -6.818 5.517) 8.933 4.366 ( 3.489 2.229 5.787) 7.115 4.481 ( 10.613 0.784 4.002) 11.370 4.570 ( 3.161 3.744 1.522) 5.131 4.629 ( 0.356 0.987 -3.635) 3.783 4.765 ( -1.872 5.657 -3.325) 6.824 4.790 ( -4.666 4.457 2.991) 7.112 4.930 ( -3.041 6.951 0.019) 7.587 4.974 ( 6.223 -1.021 -4.435) 7.710 5.044 ( -1.279 -0.726 -2.956) 3.302 5.247 ( 2.156 4.901 0.904) 5.430 5.274 ( 2.841 2.924 1.020) 4.203 5.461 ( 1.346 -3.072 4.611) 5.702 5.600 ( -1.409 -5.134 3.704) 6.485 5.692 ( -1.098 -8.985 2.991) 9.534 5.752 ( 6.668 1.435 0.889) 6.878 5.867 ( 1.164 2.255 -5.699) 6.238 5.943 ( -4.501 4.402 5.448) 8.326 6.032 ( -0.405 1.967 2.683) 3.351 6.069 ( 6.576 -2.463 1.098) 7.107 6.134 ( 3.915 -0.953 -0.893) 4.127 6.142 ( 3.309 1.479 -2.184) 4.232 6.260 ( 0.726 -6.855 2.189) 7.233 6.333 ( -2.574 -1.403 -0.486) 2.972 6.549 ( -0.637 1.765 -4.779) 5.134 6.809 ( -2.790 -3.869 1.186) 4.915 6.828 ( 1.092 5.381 6.077) 8.190 7.104 ( 1.015 1.978 3.249) 3.936 7.141 ( 2.668 -1.211 -3.010) 4.200 7.333 ( 0.785 1.066 -7.811) 7.923 7.391 ( -3.649 -4.598 -4.266) 7.257 7.518 ( -2.940 3.967 -0.673) 4.983 7.950 ( -4.026 -5.646 -4.143) 8.078 8.099 ( -2.682 -2.371 -1.271) 3.799 8.188 ( -3.546 1.695 3.458) 5.235 8.242 ( -3.952 -0.462 2.932) 4.942 8.409 ( -2.245 2.869 -0.822) 3.734 8.596 ( 0.295 3.544 0.780) 3.640 8.678 ( -1.027 -2.474 -7.883) 8.325 8.781 ( -6.089 -0.748 -2.099) 6.484 9.384 ( -2.812 -0.793 0.596) 2.982 9.460 ( 2.269 -1.256 -0.482) 2.637 9.545 ( 2.776 3.847 0.877) 4.824 9.683 ( -0.866 2.926 -3.263) 4.468 9.723 ( -0.462 6.001 -5.115) 7.899 9.846 ( 4.643 0.711 -5.098) 6.932 9.889 ( -0.324 -5.146 0.477) 5.178 10.031 ( -0.330 -2.198 -2.444) 3.304 10.833 ( 0.272 1.361 -1.493) 2.038 11.019 ( -2.156 -5.913 -0.528) 6.316 11.142 ( 0.283 -0.353 0.197) 0.494 11.228 ( 4.024 -1.855 2.790) 5.236 11.439 ( -0.303 -0.273 3.001) 3.028 11.515 ( -1.205 2.573 0.237) 2.852 11.703 ( -0.995 -5.703 -0.415) 5.804 11.792 ( -0.130 -4.697 -2.156) 5.170 12.376 ( -0.285 -0.500 0.682) 0.892 12.459 ( 0.379 -2.175 1.981) 2.966 12.640 ( 0.622 1.434 0.649) 1.693 12.644 ( 0.445 1.215 1.169) 1.744 13.083 ( 1.770 -0.021 -0.374) 1.809 13.192 ( 1.748 -2.377 -0.663) 3.024 13.280 ( 0.736 2.533 -1.031) 2.832 13.346 ( -1.141 -0.398 1.013) 1.577 14.210 ( -0.486 2.115 -0.706) 2.283 14.268 ( 1.247 0.632 0.069) 1.399 14.402 ( 0.124 -0.934 2.256) 2.444 14.516 ( -0.406 -2.014 -1.410) 2.492 14.693 ( 0.500 -1.452 8.286) 8.427 14.902 ( 0.591 0.485 -1.477) 1.663 14.950 ( 3.283 0.470 -1.213) 3.531 15.043 ( 4.213 -0.747 0.632) 4.326 15.684 ( 0.223 0.765 1.406) 1.616 15.795 ( 0.461 -1.095 4.251) 4.414 15.937 ( -1.316 5.176 -1.649) 5.589 16.185 ( -3.323 -1.400 -3.695) 5.163 16.507 ( -2.747 -0.816 1.307) 3.150 16.618 ( -0.387 -5.432 0.374) 5.458 16.889 ( -3.150 3.413 -0.389) 4.661 16.988 ( -0.706 0.739 -1.971) 2.220 17.290 ( -0.959 0.267 1.775) 2.035 17.349 ( 0.012 -1.834 1.042) 2.109 17.434 ( 1.485 0.479 7.390) 7.553 17.570 ( 0.941 -2.405 0.312) 2.601 17.781 ( -3.002 3.164 -0.438) 4.384 18.058 ( -0.658 -1.056 2.774) 3.040 18.100 ( 2.128 3.440 -1.576) 4.341 18.423 ( 0.349 4.007 -2.383) 4.675 18.514 ( -2.389 -3.935 1.711) 4.911 18.836 ( -7.847 -1.744 -4.368) 9.149 18.894 ( 0.988 -3.035 3.295) 4.588 18.984 ( -5.657 -0.687 2.072) 6.063 19.031 ( 0.691 10.966 -0.438) 10.997 19.478 ( 3.544 11.295 -10.258) 15.664 19.766 ( 4.422 -4.495 0.239) 6.310 20.067 ( 4.556 -6.463 0.412) 7.918 25.830 ( 0.968 -1.159 -3.482) 3.796 25.872 ( -0.510 0.350 -3.366) 3.422 26.007 ( 0.392 -1.840 4.373) 4.761 26.170 ( 3.656 1.876 -1.314) 4.314 26.499 ( 0.938 0.624 1.075) 1.557 26.525 ( 0.367 0.074 0.301) 0.481 26.594 ( 1.172 0.335 -2.345) 2.642 26.679 ( 1.970 -0.563 -0.841) 2.214 26.750 ( 1.871 2.942 1.344) 3.736 26.851 ( 3.271 4.451 0.209) 5.528 26.891 ( 1.399 2.936 0.009) 3.252 26.931 ( -1.878 4.139 -0.409) 4.563 26.983 ( -1.274 6.833 -0.126) 6.952 27.100 ( 0.249 1.383 0.225) 1.423 27.247 ( 0.723 -2.403 -0.256) 2.523 27.346 ( 0.794 0.458 1.356) 1.636 27.400 ( -3.197 -0.083 2.559) 4.096 27.552 ( 1.227 -3.102 5.285) 6.250 27.756 ( -1.654 5.821 2.482) 6.541 28.035 ( 11.064 0.115 7.254) 13.230 28.105 ( 3.586 -2.245 0.284) 4.240 28.354 ( 0.436 -7.352 6.336) 9.715 28.503 ( -5.553 -2.675 -3.907) 7.297 28.575 ( -5.727 -7.934 -0.724) 9.812 29.075 ( -4.460 3.018 -12.624) 13.725 29.246 ( 1.824 1.881 -9.908) 10.248 29.600 ( 6.275 -1.032 10.484) 12.262 29.724 ( 14.052 -0.959 8.174) 16.284 30.354 ( 1.123 1.279 1.293) 2.138 30.539 ( -4.611 -3.956 1.367) 6.227 30.679 ( -11.020 1.036 -1.250) 11.139 30.841 ( -14.679 -4.639 -14.786) 21.346 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.767 26.557 5.246) 27.128 1.457 ( 2.220 27.931 2.674) 28.147 1.838 ( 0.195 -16.698 0.074) 16.699 1.924 ( 1.187 -10.998 2.281) 11.294 2.208 ( 1.784 4.991 0.258) 5.306 2.337 ( 4.748 -5.337 -0.719) 7.180 2.431 ( -2.716 4.672 -2.068) 5.786 2.455 ( 1.399 4.079 1.284) 4.499 2.497 ( -4.365 5.392 -4.555) 8.299 2.614 ( 0.254 12.475 8.148) 14.903 2.704 ( 4.710 -10.524 -6.451) 13.212 2.813 ( -0.246 11.049 -1.440) 11.145 2.891 ( -0.137 -7.723 3.271) 8.388 2.928 ( 0.688 0.541 -5.935) 5.999 2.993 ( 4.000 -2.895 -7.383) 8.882 3.114 ( 0.890 -7.354 -5.556) 9.260 3.246 ( 0.867 7.666 2.155) 8.011 3.266 ( -1.223 2.547 1.382) 3.145 3.285 ( -0.295 -1.610 -1.392) 2.148 3.386 ( -1.710 2.621 -1.804) 3.613 3.469 ( -2.441 -3.330 -3.790) 5.605 3.536 ( -5.481 -5.949 4.268) 9.146 3.657 ( -0.926 -1.830 -2.539) 3.264 3.670 ( 0.938 -8.507 6.710) 10.876 3.781 ( -0.317 2.329 4.114) 4.739 3.844 ( 0.481 -2.896 2.907) 4.132 3.954 ( -3.613 2.091 7.982) 9.007 4.086 ( -2.606 -8.829 10.735) 14.142 4.275 ( -1.581 5.471 1.953) 6.021 4.400 ( -1.182 -6.387 0.885) 6.556 4.638 ( 2.525 9.062 -0.041) 9.407 4.670 ( 1.291 4.376 -5.641) 7.255 4.735 ( 4.438 1.308 -4.745) 6.627 4.835 ( -3.809 4.755 2.575) 6.614 4.930 ( 2.179 -0.677 4.328) 4.893 4.974 ( 6.254 8.006 -1.062) 10.214 5.095 ( 0.019 6.673 -2.465) 7.114 5.181 ( 2.111 5.846 2.977) 6.892 5.221 ( -3.694 -4.954 5.167) 8.055 5.266 ( -1.938 -4.801 1.426) 5.370 5.350 ( -0.569 -8.429 2.678) 8.862 5.403 ( 1.904 -10.787 0.556) 10.968 5.598 ( -3.633 7.743 4.390) 9.613 5.796 ( -1.197 -9.655 2.586) 10.067 5.906 ( 1.999 1.337 -2.551) 3.506 5.924 ( 0.554 -0.473 -0.865) 1.131 6.015 ( -3.444 1.230 4.567) 5.851 6.057 ( -1.517 -1.423 0.855) 2.249 6.213 ( 2.134 1.811 -2.524) 3.769 6.237 ( 2.636 0.497 -4.661) 5.378 6.268 ( -2.623 2.315 4.779) 5.923 6.313 ( -0.537 -1.724 3.012) 3.512 6.597 ( -0.598 4.112 -5.935) 7.245 6.659 ( -1.280 -2.466 -4.502) 5.290 6.918 ( -1.481 5.622 -3.860) 6.978 7.064 ( 0.730 -7.905 -7.163) 10.693 7.212 ( 2.676 1.638 3.643) 4.808 7.272 ( 3.177 -3.532 -0.197) 4.754 7.453 ( 1.777 7.212 -6.314) 9.749 7.568 ( 3.322 -1.695 -5.367) 6.535 7.806 ( -3.652 0.639 -3.063) 4.809 7.901 ( -3.787 -6.758 -0.762) 7.784 8.172 ( -1.400 2.279 3.123) 4.111 8.210 ( -0.190 -0.879 2.085) 2.271 8.505 ( 3.038 6.139 -0.489) 6.867 8.630 ( 1.469 -2.550 -2.025) 3.572 8.652 ( -0.597 0.811 2.528) 2.721 8.695 ( -0.741 -1.256 1.130) 1.845 9.373 ( -0.232 3.207 -0.453) 3.248 9.458 ( 2.472 -4.154 -2.373) 5.385 9.602 ( -2.953 1.883 0.890) 3.614 9.659 ( -2.287 -0.857 -4.207) 4.865 9.793 ( 0.058 1.524 0.686) 1.672 9.846 ( -1.198 1.564 -5.680) 6.012 9.933 ( 3.442 -0.644 -1.881) 3.975 9.995 ( 2.114 -3.814 -3.976) 5.902 10.863 ( 0.167 0.775 -0.587) 0.986 10.880 ( -1.741 -1.023 -0.250) 2.035 11.193 ( 2.185 1.680 0.355) 2.779 11.233 ( 1.080 -2.028 0.447) 2.340 11.423 ( -1.832 1.937 3.659) 4.528 11.515 ( -1.565 -5.302 1.285) 5.675 11.576 ( -0.931 2.470 -0.405) 2.670 11.671 ( -0.740 -5.356 -1.935) 5.743 12.391 ( 0.813 0.984 0.694) 1.453 12.417 ( 0.255 -1.409 1.036) 1.768 12.670 ( -0.029 1.167 0.711) 1.367 12.681 ( 0.493 0.225 0.481) 0.724 13.113 ( 0.479 0.928 0.789) 1.309 13.151 ( 0.184 -2.637 0.742) 2.746 13.333 ( -0.472 0.588 -0.747) 1.061 13.342 ( 0.740 -0.180 -1.791) 1.946 14.260 ( -0.705 2.656 0.712) 2.839 14.302 ( 0.660 -0.399 -0.468) 0.902 14.366 ( -1.686 1.413 1.823) 2.857 14.439 ( -0.325 -4.007 -0.197) 4.025 14.773 ( -0.086 7.895 0.879) 7.945 14.909 ( 0.465 -1.643 -2.146) 2.742 14.954 ( 0.228 -0.883 -0.521) 1.050 14.986 ( -0.181 -5.970 -1.394) 6.133 15.743 ( 0.971 1.362 3.278) 3.680 15.774 ( 0.040 -1.361 3.248) 3.522 16.000 ( -0.278 4.378 -1.374) 4.597 16.088 ( -0.059 -3.739 -2.080) 4.279 16.485 ( 0.208 1.079 0.948) 1.451 16.526 ( 0.343 -2.873 1.068) 3.085 16.929 ( 0.545 3.142 -0.018) 3.189 16.979 ( 0.526 -1.624 -0.607) 1.812 17.304 ( 0.407 1.303 -0.461) 1.441 17.333 ( 1.113 -1.489 -0.300) 1.883 17.447 ( -1.926 2.187 3.804) 4.792 17.512 ( -1.488 -3.254 1.323) 3.815 17.887 ( 1.061 6.964 3.567) 7.896 18.006 ( 0.791 -4.141 3.517) 5.490 18.205 ( 0.096 5.261 -0.669) 5.304 18.329 ( -0.599 -5.633 -1.023) 5.756 18.571 ( 0.925 4.179 1.365) 4.492 18.664 ( -0.563 -3.999 0.092) 4.039 18.936 ( 0.381 0.706 1.284) 1.514 18.942 ( 0.472 0.304 1.380) 1.490 19.307 ( -0.458 13.959 -0.088) 13.967 19.572 ( 0.436 -9.600 -3.030) 10.076 19.821 ( 0.930 5.708 -2.733) 6.397 19.962 ( -0.294 -6.994 -1.522) 7.164 25.813 ( -0.059 -0.131 -1.306) 1.313 25.840 ( -0.273 -2.196 -0.668) 2.312 26.048 ( 0.368 4.649 -0.446) 4.685 26.167 ( 1.160 -5.942 -2.790) 6.666 26.528 ( 0.149 1.091 -0.251) 1.129 26.545 ( 0.692 -0.282 -1.044) 1.284 26.633 ( 0.878 0.926 -2.600) 2.896 26.667 ( 0.168 -2.203 -1.803) 2.852 26.844 ( -0.095 2.848 1.605) 3.271 26.886 ( -0.270 -1.114 1.698) 2.049 26.963 ( -1.341 2.561 0.835) 3.009 26.990 ( -1.204 0.341 2.328) 2.643 27.122 ( 0.441 5.580 -0.815) 5.656 27.181 ( 1.181 2.852 -2.505) 3.975 27.222 ( 0.781 -0.391 -0.567) 1.041 27.301 ( -2.938 -2.391 -3.750) 5.331 27.349 ( -3.966 3.117 5.808) 7.693 27.426 ( -3.890 -3.372 6.939) 8.640 27.871 ( -0.526 7.122 2.865) 7.694 28.023 ( -3.401 -6.248 -0.715) 7.150 28.198 ( 1.541 4.243 1.504) 4.759 28.285 ( 0.768 0.189 2.613) 2.731 28.363 ( 6.422 -0.257 2.577) 6.925 28.478 ( 3.081 -6.421 2.820) 7.660 29.043 ( -4.107 3.327 -12.378) 13.459 29.144 ( -4.626 -5.948 -9.926) 12.462 29.785 ( 4.339 3.928 7.141) 9.233 29.877 ( 2.748 -4.973 7.338) 9.281 30.420 ( -3.585 0.157 -2.046) 4.130 30.436 ( -2.217 -1.331 -2.142) 3.358 30.564 ( 0.865 0.735 -1.605) 1.966 30.576 ( 4.090 -0.419 -2.075) 4.606 ======================= Grid point 48 (26/60) ======================= q-point: ( 0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 11.944 23.074 3.377) 26.201 1.568 ( 9.736 21.995 6.143) 24.825 1.988 ( 11.521 -14.421 -4.303) 18.953 2.051 ( 9.256 -14.096 -2.878) 17.107 2.182 ( -1.271 4.337 1.791) 4.862 2.267 ( -6.707 -4.262 2.688) 8.389 2.440 ( -2.990 8.475 3.387) 9.605 2.466 ( 0.877 4.979 2.709) 5.736 2.533 ( 4.970 4.746 -9.702) 11.889 2.643 ( 3.046 1.878 3.302) 4.869 2.718 ( -4.707 -2.810 -2.778) 6.146 2.807 ( -1.037 4.464 -1.353) 4.779 2.909 ( 2.205 -0.960 4.888) 5.448 2.990 ( 3.884 5.934 -3.310) 7.826 3.055 ( -2.485 -5.932 1.872) 6.698 3.091 ( 1.737 -0.606 -4.009) 4.411 3.229 ( 1.364 1.828 -1.573) 2.771 3.248 ( -0.258 -0.972 -3.285) 3.436 3.300 ( -2.250 5.592 -3.821) 7.137 3.393 ( 5.383 -3.574 -6.963) 9.499 3.412 ( 1.022 1.327 -1.361) 2.158 3.565 ( 4.483 -1.656 1.826) 5.116 3.666 ( 4.539 -5.874 0.837) 7.471 3.686 ( -3.775 -4.845 1.685) 6.369 3.715 ( -4.302 0.411 5.729) 7.176 3.823 ( -1.572 -2.944 2.133) 3.961 3.901 ( -0.337 1.797 5.284) 5.591 4.002 ( -5.167 -5.952 8.397) 11.517 4.222 ( -2.584 0.348 1.247) 2.891 4.306 ( -6.016 -6.378 0.638) 8.791 4.644 ( -4.095 7.428 -0.451) 8.494 4.666 ( -5.078 5.104 3.099) 7.838 4.759 ( 0.862 6.533 4.191) 7.809 4.803 ( 0.373 2.779 -5.107) 5.826 4.969 ( -4.114 6.474 -2.284) 8.004 5.016 ( 2.754 -1.600 5.169) 6.072 5.132 ( 0.990 0.159 -2.005) 2.242 5.159 ( -0.738 -3.008 6.421) 7.129 5.201 ( 1.518 9.684 -0.340) 9.808 5.335 ( 6.232 -4.619 1.798) 7.962 5.351 ( 1.595 -3.148 1.383) 3.791 5.422 ( -0.254 -9.648 0.383) 9.658 5.503 ( -4.374 3.509 4.424) 7.143 5.687 ( -8.625 -12.260 3.381) 15.366 5.873 ( -5.430 3.041 -1.073) 6.316 5.948 ( -0.617 1.825 -2.803) 3.401 5.968 ( -0.593 -3.697 0.485) 3.775 6.003 ( -4.544 -1.115 0.100) 4.680 6.150 ( -5.496 1.741 5.493) 7.963 6.193 ( -3.876 -1.539 3.688) 5.567 6.251 ( 0.744 4.938 -1.057) 5.104 6.358 ( 3.607 -4.412 0.407) 5.713 6.588 ( 0.069 4.471 -7.182) 8.460 6.652 ( 0.620 -2.410 -6.057) 6.548 6.908 ( 0.710 6.707 -2.863) 7.327 7.082 ( 1.446 -8.879 -4.794) 10.194 7.245 ( -0.073 5.480 3.601) 6.557 7.344 ( 1.739 -3.560 1.000) 4.086 7.512 ( 4.916 8.998 -7.168) 12.510 7.645 ( 2.656 1.623 -1.908) 3.651 7.796 ( 4.396 -5.012 -3.663) 7.607 7.866 ( 1.380 -6.608 -2.164) 7.089 8.163 ( 0.335 2.261 1.739) 2.872 8.212 ( -0.123 -1.784 1.665) 2.444 8.551 ( 1.210 6.546 -1.061) 6.740 8.645 ( -0.148 -1.725 -1.224) 2.120 8.720 ( 2.598 0.008 1.262) 2.888 8.749 ( 8.528 -3.439 0.999) 9.249 9.386 ( 1.305 4.343 -0.787) 4.602 9.504 ( -0.664 -5.243 0.330) 5.295 9.556 ( 0.179 1.719 -1.373) 2.207 9.603 ( -3.417 -0.266 -4.206) 5.426 9.768 ( -2.554 1.854 -4.113) 5.184 9.801 ( -1.770 -1.488 -1.799) 2.930 9.981 ( 1.469 0.159 -1.285) 1.958 10.015 ( 0.070 -2.407 -1.757) 2.981 10.873 ( 1.081 0.514 -1.350) 1.804 10.877 ( 1.117 0.192 -0.265) 1.164 11.201 ( -3.376 0.969 1.004) 3.653 11.216 ( -0.518 -0.572 1.130) 1.368 11.411 ( 0.485 1.478 2.498) 2.943 11.502 ( 0.351 -5.563 0.547) 5.601 11.568 ( 0.238 1.925 -0.447) 1.991 11.656 ( -0.615 -5.205 -1.774) 5.533 12.408 ( 0.811 0.848 0.825) 1.434 12.424 ( 0.320 -0.471 1.148) 1.281 12.663 ( -0.581 1.398 0.841) 1.732 12.685 ( -0.168 -0.447 0.941) 1.055 13.108 ( -1.038 0.777 0.675) 1.462 13.137 ( -1.513 -1.742 0.043) 2.308 13.325 ( -0.034 0.171 0.300) 0.347 13.339 ( -0.705 -0.904 -1.102) 1.590 14.236 ( -1.370 2.503 0.471) 2.892 14.294 ( -1.384 -2.777 -0.301) 3.117 14.349 ( 0.037 3.900 0.649) 3.954 14.433 ( -0.337 -3.601 -0.012) 3.616 14.769 ( -0.432 7.815 0.926) 7.881 14.916 ( -0.643 -3.615 -1.226) 3.871 14.952 ( -1.626 -0.956 -0.399) 1.928 14.968 ( 1.218 -1.576 -0.711) 2.115 15.741 ( -1.049 0.810 3.355) 3.608 15.764 ( -0.961 -1.117 3.378) 3.685 16.041 ( 3.508 4.919 -2.217) 6.435 16.137 ( 4.384 -4.153 -2.472) 6.525 16.506 ( 1.729 1.224 0.997) 2.342 16.543 ( 1.194 -2.259 1.229) 2.835 16.961 ( 2.242 2.491 0.033) 3.351 16.998 ( 1.101 -1.195 -0.127) 1.630 17.316 ( 0.834 1.352 -0.638) 1.712 17.352 ( 0.801 -1.840 0.697) 2.124 17.399 ( -2.466 2.152 2.578) 4.167 17.471 ( -2.286 -3.879 0.687) 4.555 17.931 ( 2.785 6.069 2.859) 7.263 18.036 ( 1.706 -3.547 3.238) 5.096 18.209 ( 0.385 6.342 -0.297) 6.361 18.338 ( 1.293 -4.777 -1.800) 5.266 18.600 ( 1.629 3.391 1.911) 4.219 18.694 ( 2.911 -5.044 0.431) 5.840 18.940 ( -0.493 2.120 1.260) 2.515 18.975 ( 3.239 -1.636 1.253) 3.839 19.289 ( -1.052 13.482 -0.694) 13.541 19.560 ( -1.331 -10.947 -2.400) 11.285 19.772 ( -5.087 4.922 -1.734) 7.288 19.894 ( -6.091 -5.849 -1.612) 8.597 25.811 ( -0.152 -0.181 -1.429) 1.449 25.836 ( -0.120 -2.098 -0.864) 2.273 26.042 ( -0.843 4.711 -0.011) 4.786 26.162 ( -1.462 -5.984 -1.321) 6.300 26.517 ( -1.169 1.116 -0.477) 1.685 26.540 ( -1.207 -0.787 -0.897) 1.697 26.638 ( -0.345 0.373 -1.924) 1.991 26.654 ( -1.176 -1.291 -1.561) 2.342 26.814 ( -2.105 3.764 2.226) 4.854 26.865 ( -2.164 -0.973 1.505) 2.810 26.956 ( -0.827 1.458 -0.158) 1.684 26.969 ( 0.341 -0.242 -0.616) 0.745 27.116 ( -1.281 6.811 -0.900) 6.989 27.179 ( -0.922 5.862 -0.905) 6.003 27.204 ( -1.612 1.496 -1.596) 2.717 27.242 ( 0.635 -0.853 -0.257) 1.094 27.330 ( -0.146 -1.324 4.074) 4.286 27.379 ( -0.705 -3.457 6.291) 7.213 27.878 ( 0.432 2.755 2.707) 3.886 27.958 ( -2.251 -4.220 0.322) 4.793 28.142 ( -4.305 12.353 0.980) 13.119 28.346 ( 0.485 -4.777 1.139) 4.935 28.474 ( 6.572 3.588 1.534) 7.643 28.595 ( 6.232 -6.067 4.252) 9.681 28.994 ( -0.362 -1.214 -11.228) 11.299 29.047 ( -3.324 -5.568 -11.591) 13.282 29.763 ( -7.456 1.861 7.689) 10.871 29.799 ( -7.262 -1.399 8.209) 11.049 30.329 ( -1.518 2.726 -1.281) 3.373 30.401 ( 1.399 -3.997 -0.965) 4.344 30.711 ( 10.213 4.495 -3.354) 11.652 30.831 ( 13.703 -7.301 -3.706) 15.963 ======================= Grid point 49 (27/60) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 9.874 17.144 4.304) 20.247 1.829 ( 12.842 13.566 5.137) 19.374 2.053 ( -7.459 -3.688 -2.645) 8.731 2.122 ( 0.949 -6.989 -3.203) 7.746 2.245 ( 3.601 -2.773 -12.093) 12.919 2.255 ( 3.785 -2.287 -9.878) 10.823 2.347 ( -4.166 8.476 5.991) 11.185 2.493 ( -3.675 -1.274 -2.240) 4.488 2.570 ( 0.907 -2.183 -6.769) 7.170 2.593 ( 0.991 -2.555 -2.930) 4.012 2.725 ( 1.870 -0.464 6.719) 6.990 2.779 ( 0.203 -3.881 2.420) 4.578 2.900 ( -6.162 2.665 4.576) 8.125 2.955 ( -1.639 -0.880 8.519) 8.719 3.017 ( -6.914 3.380 2.538) 8.104 3.077 ( 1.938 1.011 -0.529) 2.249 3.266 ( 2.468 5.984 -8.903) 11.008 3.328 ( 5.989 -1.730 -7.840) 10.017 3.419 ( 9.359 1.307 -5.290) 10.830 3.452 ( 2.398 -3.016 -4.374) 5.829 3.507 ( -4.275 1.660 8.264) 9.451 3.592 ( 3.090 -1.606 4.669) 5.824 3.617 ( 9.954 8.217 5.420) 13.999 3.682 ( -0.145 5.130 -4.405) 6.763 3.794 ( 0.333 -4.226 -6.448) 7.716 3.860 ( 8.454 -4.584 1.488) 9.731 3.915 ( -2.409 2.202 3.105) 4.505 3.960 ( 3.746 0.030 3.660) 5.238 4.165 ( -4.227 -3.499 4.602) 7.161 4.237 ( 1.566 -7.327 3.541) 8.287 4.501 ( -7.818 8.851 4.750) 12.728 4.524 ( -8.603 4.046 1.944) 9.704 4.748 ( -7.074 6.965 -1.937) 10.114 4.764 ( -0.698 1.389 1.940) 2.486 4.862 ( -5.641 -2.967 1.660) 6.586 5.014 ( -2.325 -9.456 3.298) 10.281 5.085 ( -4.917 4.702 0.304) 6.810 5.165 ( -1.611 -0.874 2.718) 3.278 5.255 ( 4.917 7.685 4.271) 10.074 5.356 ( -3.434 0.560 -0.517) 3.517 5.409 ( 1.969 -6.768 3.004) 7.663 5.432 ( 1.695 -4.294 -2.938) 5.472 5.532 ( 2.707 -3.671 4.498) 6.406 5.560 ( 2.337 -4.223 2.221) 5.313 5.781 ( -3.643 4.678 1.354) 6.082 5.862 ( -5.032 2.465 -1.762) 5.874 5.881 ( -6.261 -3.026 0.386) 6.965 5.972 ( -0.289 -5.392 -0.094) 5.400 6.033 ( -5.315 -0.093 5.538) 7.677 6.107 ( -4.434 -4.592 6.666) 9.229 6.310 ( 3.667 8.102 -1.476) 9.015 6.453 ( 4.684 -5.315 -0.617) 7.111 6.603 ( 1.665 4.079 -8.529) 9.600 6.682 ( 2.748 -3.886 -9.325) 10.470 6.929 ( 0.904 7.014 -0.564) 7.095 7.095 ( -1.088 -6.443 -0.756) 6.578 7.222 ( -1.054 5.151 1.461) 5.457 7.331 ( -2.024 -3.963 -0.959) 4.552 7.615 ( 2.751 8.991 -6.382) 11.364 7.666 ( 1.013 4.510 -0.850) 4.700 7.919 ( 5.066 -5.500 0.104) 7.478 7.949 ( 6.507 -8.691 -2.110) 11.060 8.199 ( 3.181 0.655 0.443) 3.277 8.217 ( 1.528 -1.112 1.282) 2.283 8.581 ( 1.195 5.444 -2.196) 5.991 8.643 ( 0.477 -0.040 -2.635) 2.678 8.748 ( 0.016 4.373 1.142) 4.520 8.873 ( 2.581 -7.352 0.284) 7.797 9.398 ( -0.684 3.252 -1.173) 3.524 9.426 ( -4.911 1.575 -0.464) 5.179 9.528 ( -1.404 1.505 0.533) 2.126 9.602 ( 1.139 -4.772 -0.987) 5.004 9.738 ( 0.756 1.518 -4.668) 4.967 9.793 ( 0.423 -3.183 -2.767) 4.239 9.978 ( -1.668 1.669 -0.577) 2.429 10.015 ( -0.163 -2.057 -1.601) 2.612 10.897 ( 0.699 0.628 -0.036) 0.940 10.907 ( 1.880 -0.323 -1.611) 2.497 11.128 ( -3.184 2.540 1.106) 4.221 11.189 ( -2.008 -3.008 0.521) 3.654 11.430 ( 1.185 2.323 1.679) 3.102 11.519 ( 1.128 -3.629 0.263) 3.810 11.582 ( 0.897 -0.509 0.466) 1.131 11.649 ( -0.091 -4.788 -1.081) 4.909 12.421 ( 0.406 0.562 0.704) 0.988 12.427 ( 0.007 0.030 1.083) 1.083 12.649 ( -0.768 1.297 1.179) 1.913 12.674 ( -0.931 -0.764 1.437) 1.875 13.082 ( -1.192 0.434 -0.321) 1.308 13.102 ( -1.560 -1.293 -0.895) 2.214 13.328 ( -0.287 -0.524 0.790) 0.990 13.329 ( 0.154 -0.694 1.230) 1.420 14.215 ( -0.660 1.938 0.059) 2.048 14.265 ( -1.282 -2.626 -0.448) 2.957 14.355 ( 0.532 3.670 0.406) 3.731 14.428 ( -0.059 -2.966 0.376) 2.990 14.756 ( -0.773 6.755 1.259) 6.915 14.878 ( -2.018 -3.951 0.936) 4.534 14.949 ( 0.391 1.900 -0.911) 2.144 14.993 ( 1.042 -2.210 -1.112) 2.684 15.719 ( -0.970 1.011 3.150) 3.447 15.747 ( -0.706 -1.375 3.735) 4.042 16.106 ( 2.645 6.439 -3.153) 7.642 16.221 ( 3.377 -4.450 -3.528) 6.607 16.543 ( 1.581 0.347 1.049) 1.929 16.563 ( 0.550 -1.590 1.364) 2.166 17.005 ( 1.968 1.878 -0.226) 2.730 17.020 ( 1.126 -0.089 -0.192) 1.145 17.328 ( -0.117 1.533 -0.976) 1.821 17.368 ( 0.742 -1.662 0.139) 1.825 17.372 ( 0.455 0.689 3.801) 3.890 17.428 ( -2.028 -3.969 0.782) 4.525 17.977 ( 1.369 5.383 1.822) 5.846 18.062 ( 0.788 -2.355 1.603) 2.956 18.223 ( 0.876 8.123 -0.076) 8.171 18.373 ( 2.197 -4.659 -2.705) 5.818 18.623 ( 0.412 4.632 2.545) 5.302 18.750 ( 1.935 -6.085 2.767) 6.959 18.923 ( -0.719 6.154 -1.406) 6.354 19.052 ( 3.669 -6.224 0.467) 7.240 19.281 ( 0.572 11.570 -0.577) 11.598 19.527 ( -2.015 -11.001 -1.133) 11.241 19.663 ( -4.339 2.696 -1.443) 5.308 19.748 ( -7.767 -4.670 -1.424) 9.174 25.807 ( -0.124 0.118 -1.590) 1.599 25.836 ( 0.225 -2.253 -1.038) 2.491 26.021 ( -1.086 4.080 0.584) 4.262 26.122 ( -2.115 -4.730 0.270) 5.188 26.494 ( -0.784 0.863 -0.383) 1.227 26.512 ( -1.160 -0.797 -0.240) 1.427 26.620 ( -1.226 0.364 -1.377) 1.879 26.626 ( -1.364 -0.358 -1.134) 1.810 26.775 ( -2.198 2.860 2.169) 4.209 26.807 ( -2.628 0.172 1.801) 3.190 26.943 ( 0.485 4.145 -3.395) 5.380 27.000 ( 1.909 -1.293 -2.952) 3.746 27.108 ( 0.559 4.865 0.388) 4.912 27.181 ( 0.339 5.327 0.655) 5.378 27.185 ( -0.428 0.700 -0.234) 0.854 27.261 ( 1.179 -2.423 -0.397) 2.723 27.345 ( 1.514 -0.417 5.609) 5.825 27.386 ( 0.996 -3.055 7.503) 8.162 27.869 ( -1.170 2.652 1.946) 3.491 27.935 ( -0.510 -3.888 1.584) 4.229 28.066 ( -2.984 13.120 0.227) 13.457 28.307 ( -2.886 -8.400 -1.078) 8.947 28.617 ( 6.004 4.289 0.082) 7.379 28.662 ( 0.588 -0.157 -2.260) 2.340 28.990 ( 1.414 -0.837 -8.745) 8.898 29.078 ( 5.271 -7.763 -8.167) 12.440 29.575 ( -9.654 1.891 7.926) 12.633 29.639 ( -8.726 -3.766 6.361) 11.436 30.349 ( 2.313 4.443 1.231) 5.158 30.462 ( 3.532 -5.922 1.285) 7.014 30.893 ( 7.371 5.185 -5.576) 10.598 31.020 ( 5.192 -6.971 -4.586) 9.828 ======================= Grid point 50 (28/60) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -12.505 11.414 -0.581) 16.941 1.880 ( 3.532 5.241 2.486) 6.791 2.020 ( 4.171 8.001 -8.872) 12.654 2.153 ( -0.434 -1.857 -0.905) 2.111 2.208 ( -4.804 -0.223 -8.578) 9.834 2.273 ( 0.852 -4.823 -6.862) 8.431 2.353 ( -4.515 1.975 -3.480) 6.033 2.375 ( 5.374 -1.179 -3.872) 6.728 2.581 ( -1.716 -0.673 -2.657) 3.234 2.646 ( 0.994 -2.921 -1.913) 3.631 2.730 ( 0.129 3.166 4.721) 5.686 2.809 ( -4.544 -1.041 5.335) 7.085 2.872 ( 7.526 1.469 9.031) 11.847 2.919 ( 0.721 1.923 -0.953) 2.264 2.979 ( 1.811 -5.549 5.820) 8.243 3.038 ( -2.618 -5.293 -0.134) 5.907 3.275 ( -1.689 2.044 -0.473) 2.694 3.353 ( -4.238 -4.423 -2.756) 6.717 3.464 ( -1.445 2.923 -6.232) 7.033 3.528 ( -3.942 -3.292 -7.414) 9.019 3.534 ( 5.444 0.705 -1.864) 5.797 3.578 ( 4.709 -0.429 0.444) 4.750 3.721 ( 4.811 3.283 -1.937) 6.139 3.789 ( -1.478 1.091 -0.571) 1.924 3.845 ( -0.769 7.501 -0.942) 7.599 3.898 ( -0.765 3.454 7.225) 8.045 3.950 ( 0.985 -0.726 5.908) 6.033 4.015 ( -1.331 -5.083 3.094) 6.098 4.164 ( 12.113 11.573 2.484) 16.936 4.256 ( -6.657 5.565 0.731) 8.708 4.392 ( 2.845 8.643 0.716) 9.127 4.398 ( -5.197 4.813 3.349) 7.835 4.674 ( -4.728 1.708 5.027) 7.109 4.687 ( 5.489 -6.585 2.769) 9.009 4.829 ( 1.086 -9.649 1.694) 9.856 4.921 ( -4.921 -6.862 5.794) 10.241 5.060 ( 0.713 2.237 -1.099) 2.592 5.146 ( 0.609 -3.110 0.719) 3.250 5.237 ( -3.918 4.444 0.869) 5.988 5.342 ( -0.905 2.822 2.833) 4.100 5.405 ( -2.119 -10.929 -1.826) 11.281 5.430 ( -0.684 -4.579 3.237) 5.649 5.622 ( 6.660 4.579 2.639) 8.502 5.677 ( 2.264 0.806 -1.139) 2.660 5.730 ( 1.235 -1.713 5.252) 5.660 5.788 ( -1.690 -3.777 1.459) 4.387 5.845 ( 3.042 5.666 -0.331) 6.440 5.932 ( -1.282 2.937 7.300) 7.972 5.990 ( -1.264 -6.536 1.272) 6.778 6.064 ( 1.008 -8.068 5.418) 9.770 6.346 ( -0.350 8.989 -3.369) 9.606 6.487 ( -1.508 -4.607 -2.454) 5.433 6.639 ( 1.541 4.746 -8.458) 9.821 6.756 ( 4.093 -6.153 -11.139) 13.367 6.936 ( 0.066 5.240 0.355) 5.252 7.035 ( -3.886 -1.155 1.165) 4.218 7.210 ( -0.917 1.823 1.613) 2.601 7.297 ( -1.054 -5.140 -2.341) 5.746 7.577 ( -3.669 8.949 -3.313) 10.224 7.692 ( -0.588 0.678 -4.875) 4.957 7.979 ( 1.169 -2.277 1.314) 2.877 8.057 ( 3.004 -7.431 -1.352) 8.129 8.257 ( 2.392 0.728 2.004) 3.204 8.271 ( 2.230 -0.402 2.703) 3.527 8.564 ( -2.167 5.391 -2.855) 6.474 8.664 ( 0.283 -2.556 -4.598) 5.268 8.732 ( -1.335 6.176 0.406) 6.331 8.866 ( -1.811 -5.600 -0.701) 5.928 9.366 ( -0.084 2.951 -0.359) 2.974 9.399 ( 1.907 -0.005 0.747) 2.048 9.530 ( 0.577 2.846 1.625) 3.327 9.613 ( 0.573 -3.072 -0.589) 3.180 9.768 ( 1.417 0.159 -4.135) 4.374 9.802 ( 0.202 -2.192 -3.149) 3.842 9.932 ( -2.614 2.294 -1.154) 3.664 9.995 ( -1.740 -3.451 -2.787) 4.764 10.899 ( -0.463 1.620 -0.299) 1.711 10.936 ( 1.075 -1.853 -0.852) 2.306 11.092 ( -0.268 2.098 1.074) 2.372 11.151 ( -1.500 -3.166 -0.786) 3.591 11.453 ( 0.947 3.078 1.957) 3.769 11.544 ( 1.298 -2.357 0.323) 2.710 11.595 ( 0.324 -1.698 1.633) 2.378 11.655 ( 0.728 -4.798 -0.710) 4.905 12.417 ( -0.800 0.501 0.528) 1.081 12.428 ( -0.048 -0.433 0.866) 0.970 12.639 ( -0.136 0.943 1.258) 1.578 12.655 ( -0.733 -0.389 1.386) 1.615 13.064 ( -0.391 0.834 -1.111) 1.443 13.093 ( 0.583 -1.886 -0.929) 2.182 13.321 ( -0.648 -0.169 1.374) 1.528 13.329 ( -0.104 -0.764 1.543) 1.725 14.214 ( 0.573 1.371 0.136) 1.492 14.248 ( -0.342 -1.630 -0.834) 1.863 14.371 ( 1.049 2.767 1.091) 3.154 14.433 ( 0.575 -2.850 0.704) 2.991 14.747 ( -0.055 6.011 1.522) 6.201 14.851 ( -0.652 -3.371 1.107) 3.607 14.951 ( -0.252 2.224 -1.283) 2.580 15.002 ( -0.152 -2.399 -1.332) 2.748 15.707 ( -0.380 1.210 2.975) 3.234 15.740 ( -0.074 -1.675 3.918) 4.262 16.134 ( 0.128 7.152 -3.534) 7.979 16.254 ( -0.147 -4.119 -4.231) 5.907 16.558 ( -0.344 -0.752 1.175) 1.437 16.563 ( -0.420 -1.530 1.097) 1.929 17.028 ( 0.045 1.822 -0.182) 1.832 17.037 ( 0.368 0.587 -0.207) 0.723 17.313 ( -1.019 1.032 -0.257) 1.473 17.368 ( -2.041 -4.159 -1.214) 4.789 17.396 ( 1.691 0.784 3.855) 4.282 17.421 ( 2.161 -1.536 2.066) 3.361 17.980 ( -1.036 5.604 1.039) 5.793 18.067 ( -0.412 -2.344 0.906) 2.547 18.232 ( -0.053 9.279 -0.488) 9.292 18.415 ( 1.675 -6.423 -2.296) 7.024 18.610 ( -1.777 7.101 2.673) 7.793 18.766 ( 0.137 -5.547 3.873) 6.766 18.924 ( 0.566 6.204 -3.048) 6.936 19.088 ( -0.626 -7.593 -0.708) 7.651 19.301 ( 0.433 10.207 1.257) 10.293 19.489 ( -0.003 -5.880 -2.431) 6.363 19.606 ( -4.264 -1.025 -1.237) 4.556 19.665 ( 3.070 -5.718 -1.046) 6.574 25.806 ( 0.082 0.496 -1.654) 1.728 25.842 ( 0.344 -2.578 -1.002) 2.787 26.007 ( -0.266 3.427 0.748) 3.518 26.091 ( -0.845 -3.810 0.484) 3.932 26.492 ( 0.314 0.333 -0.057) 0.461 26.501 ( 0.104 -0.482 0.140) 0.513 26.599 ( -0.745 0.521 -1.698) 1.926 26.607 ( -0.470 -0.374 -1.004) 1.170 26.744 ( -0.291 2.687 1.656) 3.170 26.782 ( 0.065 -0.696 1.818) 1.948 26.969 ( 1.840 5.629 -4.194) 7.257 27.030 ( 0.990 0.620 -2.692) 2.935 27.122 ( 0.727 1.899 -0.462) 2.085 27.165 ( -1.486 0.537 3.158) 3.532 27.193 ( 0.408 5.377 -0.367) 5.405 27.284 ( 1.065 -3.254 0.101) 3.425 27.387 ( 2.335 -0.216 7.166) 7.540 27.419 ( 1.950 -2.456 9.505) 10.009 27.850 ( -0.388 3.325 1.458) 3.651 27.929 ( 0.018 -4.351 1.626) 4.645 28.030 ( -0.704 12.530 -0.368) 12.555 28.264 ( -1.019 -8.742 -2.273) 9.090 28.629 ( -3.239 2.529 -5.002) 6.473 28.674 ( -0.915 -0.908 -3.010) 3.274 29.072 ( 6.379 3.628 -7.154) 10.248 29.188 ( 5.029 -6.213 -8.105) 11.384 29.423 ( -5.027 0.561 8.561) 9.944 29.492 ( -5.136 -5.834 6.431) 10.088 30.389 ( 1.240 4.818 2.895) 5.756 30.513 ( 1.119 -6.497 2.983) 7.236 30.980 ( 1.124 2.588 -7.073) 7.615 31.043 ( -2.396 -3.374 -4.861) 6.383 ======================= Grid point 51 (29/60) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -11.311 20.467 -2.202) 23.488 1.799 ( -11.791 5.907 6.578) 14.737 2.069 ( 0.257 4.334 -1.641) 4.641 2.082 ( -2.605 -4.071 -11.685) 12.645 2.154 ( -0.561 -1.599 -5.428) 5.687 2.284 ( -1.651 -5.725 -7.277) 9.406 2.354 ( 2.329 1.513 -1.265) 3.052 2.433 ( -2.824 -7.916 -7.172) 11.049 2.566 ( 4.492 2.304 -2.809) 5.778 2.652 ( -1.856 -5.083 1.312) 5.568 2.742 ( 2.308 3.891 7.068) 8.392 2.780 ( -0.634 0.458 7.016) 7.059 2.867 ( -2.559 4.465 2.348) 5.657 2.970 ( -1.471 -4.458 -0.547) 4.726 2.998 ( 2.080 2.363 2.897) 4.278 3.120 ( 6.660 -3.551 -4.395) 8.734 3.213 ( -5.746 -1.368 0.302) 5.914 3.266 ( -3.675 -2.148 -6.423) 7.706 3.366 ( -5.928 7.583 0.259) 9.628 3.431 ( -0.227 0.043 -4.461) 4.467 3.561 ( -8.089 9.076 1.026) 12.200 3.638 ( -1.641 5.985 -0.388) 6.218 3.676 ( 2.862 -2.606 1.939) 4.329 3.763 ( -4.402 2.758 1.744) 5.480 3.862 ( 2.813 0.933 2.160) 3.667 3.912 ( 0.983 -2.476 2.050) 3.361 3.924 ( -3.334 -0.534 6.320) 7.165 4.023 ( 3.260 -8.246 2.218) 9.140 4.138 ( 1.954 3.003 2.355) 4.287 4.279 ( -2.408 -8.123 3.271) 9.082 4.426 ( 5.959 9.117 4.954) 11.965 4.516 ( 5.620 1.805 -1.529) 6.098 4.728 ( 9.589 3.979 -1.121) 10.442 4.800 ( -3.236 0.828 5.663) 6.575 4.872 ( 1.769 3.657 1.851) 4.464 4.904 ( 10.021 -2.195 -2.240) 10.500 5.033 ( -4.119 2.066 3.331) 5.686 5.176 ( 1.291 -0.120 1.168) 1.745 5.196 ( -0.855 4.116 -0.889) 4.297 5.301 ( -0.681 -3.739 1.345) 4.031 5.351 ( -3.513 -2.878 0.182) 4.545 5.436 ( 1.695 -13.478 0.010) 13.584 5.664 ( -0.737 1.619 4.310) 4.663 5.698 ( -0.041 -0.246 3.374) 3.384 5.801 ( 5.365 0.027 4.105) 6.755 5.847 ( 4.882 0.226 1.396) 5.083 5.928 ( 4.586 -0.780 3.302) 5.704 5.982 ( 2.769 -4.180 1.529) 5.242 6.001 ( 5.926 3.510 3.904) 7.917 6.120 ( 3.327 -5.857 3.424) 7.556 6.300 ( -3.552 8.123 -2.968) 9.349 6.413 ( -4.938 -2.932 -3.334) 6.640 6.642 ( -0.931 5.556 -6.921) 8.924 6.780 ( -2.089 -6.294 -6.347) 9.179 6.943 ( 0.558 3.765 -0.588) 3.851 6.997 ( 0.841 -1.475 -2.982) 3.432 7.180 ( -1.769 2.837 1.796) 3.795 7.282 ( -0.674 -6.696 -2.384) 7.140 7.506 ( -3.258 8.895 -6.076) 11.254 7.646 ( -3.347 -1.864 -6.585) 7.619 7.949 ( -3.761 0.305 2.338) 4.439 8.050 ( -3.250 -6.978 0.749) 7.735 8.277 ( -1.671 0.336 4.233) 4.563 8.279 ( -0.726 -0.033 4.393) 4.453 8.532 ( -0.761 4.846 -4.467) 6.634 8.629 ( -2.486 -4.159 -5.974) 7.691 8.709 ( -0.828 6.630 0.486) 6.699 8.829 ( -2.606 -4.391 -0.824) 5.172 9.396 ( 1.246 3.334 -1.080) 3.719 9.452 ( 1.497 -0.323 1.003) 1.831 9.558 ( 2.996 3.361 1.531) 4.756 9.653 ( 4.695 -4.494 -1.262) 6.620 9.775 ( -1.746 1.315 -3.634) 4.241 9.794 ( 0.154 -0.635 -2.064) 2.165 9.881 ( -2.254 1.875 -2.426) 3.806 9.962 ( -0.965 -4.507 -3.565) 5.827 10.885 ( -0.817 2.525 -0.976) 2.828 10.946 ( -0.240 -3.240 -0.459) 3.281 11.112 ( 1.794 0.376 1.094) 2.135 11.138 ( 0.522 -1.871 -0.539) 2.016 11.465 ( 0.172 3.259 2.529) 4.129 11.562 ( 0.288 -2.937 -0.044) 2.952 11.598 ( 0.021 -0.465 1.979) 2.033 11.672 ( 0.867 -5.038 -0.662) 5.155 12.396 ( -1.076 0.864 0.374) 1.430 12.423 ( -0.456 -1.445 0.809) 1.718 12.646 ( 0.765 0.669 1.058) 1.468 12.652 ( 0.397 0.238 0.816) 0.938 13.071 ( 0.964 1.453 -0.637) 1.856 13.113 ( 1.219 -2.395 -0.595) 2.752 13.308 ( -0.374 0.768 0.545) 1.013 13.329 ( 0.142 -1.155 1.203) 1.674 14.235 ( 1.380 1.087 0.386) 1.798 14.252 ( 0.829 -0.277 -0.843) 1.214 14.392 ( 0.798 1.653 1.831) 2.592 14.446 ( 0.509 -3.147 0.851) 3.299 14.756 ( 0.869 5.817 1.792) 6.148 14.858 ( 1.572 -2.966 -0.066) 3.357 14.940 ( -0.695 1.819 -1.197) 2.286 14.989 ( -1.078 -2.689 -1.178) 3.127 15.705 ( 0.174 1.615 2.731) 3.178 15.746 ( 0.561 -1.973 3.789) 4.308 16.110 ( -2.334 6.454 -3.198) 7.571 16.216 ( -3.314 -3.505 -3.979) 6.253 16.534 ( -1.756 -0.620 0.981) 2.105 16.549 ( -0.992 -2.209 0.795) 2.549 17.004 ( -2.317 1.953 -0.284) 3.043 17.025 ( -1.630 0.053 0.043) 1.632 17.297 ( -0.402 0.215 0.206) 0.500 17.325 ( -1.653 -2.530 -0.546) 3.071 17.433 ( 1.752 1.699 3.911) 4.611 17.475 ( 2.729 -2.211 1.076) 3.673 17.945 ( -2.289 5.901 0.751) 6.374 18.044 ( -1.776 -3.132 1.424) 3.872 18.223 ( -0.719 9.022 -0.654) 9.074 18.418 ( -1.619 -8.781 -1.306) 9.024 18.574 ( -1.278 9.012 1.561) 9.235 18.763 ( -0.944 -8.136 3.373) 8.858 18.925 ( -0.588 4.546 -1.432) 4.802 19.032 ( -4.033 -5.019 -0.169) 6.441 19.293 ( -0.142 11.922 -0.372) 11.929 19.523 ( 0.956 -8.906 -1.640) 9.106 19.605 ( 5.613 6.924 -2.969) 9.395 19.776 ( 6.910 -8.751 -0.313) 11.155 25.809 ( 0.235 0.540 -1.618) 1.722 25.847 ( 0.082 -2.654 -0.701) 2.746 26.012 ( 0.725 3.332 0.366) 3.430 26.093 ( 1.029 -3.552 -0.527) 3.735 26.499 ( 0.602 0.742 0.310) 1.004 26.513 ( 0.720 -0.482 0.182) 0.885 26.594 ( 0.357 0.751 -2.354) 2.497 26.613 ( 1.203 -1.114 -1.383) 2.145 26.769 ( 2.425 2.825 1.676) 4.083 26.811 ( 2.625 -0.997 1.696) 3.280 27.001 ( 1.154 5.852 -2.959) 6.658 27.035 ( -0.405 2.488 -2.517) 3.562 27.128 ( -1.771 1.150 3.990) 4.515 27.138 ( 0.677 0.625 -1.354) 1.638 27.197 ( 0.123 4.001 0.316) 4.016 27.300 ( 0.491 -3.727 0.148) 3.763 27.427 ( 1.143 0.583 8.740) 8.833 27.462 ( 1.965 -2.278 9.183) 9.664 27.866 ( 1.973 2.600 2.783) 4.290 27.945 ( 1.619 -4.209 2.100) 4.974 28.039 ( 1.809 12.127 -0.978) 12.300 28.264 ( 0.537 -7.855 -2.960) 8.411 28.532 ( -5.736 0.771 -3.543) 6.786 28.590 ( -7.017 -4.208 -4.723) 9.447 29.175 ( 1.805 3.177 -8.846) 9.571 29.229 ( -0.474 -2.017 -9.364) 9.591 29.425 ( 6.243 0.830 10.437) 12.190 29.497 ( 5.827 -5.210 7.261) 10.669 30.395 ( -0.540 3.950 2.860) 4.907 30.502 ( -2.110 -5.932 3.054) 6.998 30.911 ( -7.950 1.320 -5.232) 9.608 30.951 ( -6.410 -2.460 -7.415) 10.106 ======================= Grid point 52 (30/60) ======================= q-point: (-0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -4.945 26.122 0.648) 26.594 1.540 ( -11.553 18.294 6.968) 22.731 1.965 ( -9.249 -8.372 -3.171) 12.872 2.013 ( -7.359 -14.191 -2.992) 16.263 2.153 ( 0.783 4.508 -1.269) 4.748 2.228 ( 2.736 -2.491 -1.731) 4.085 2.393 ( 1.744 -1.538 -0.254) 2.339 2.452 ( 5.603 -1.295 -3.950) 6.976 2.591 ( -2.518 4.052 -3.859) 6.136 2.641 ( -4.911 2.773 -2.965) 6.372 2.724 ( -2.331 -0.892 5.444) 5.989 2.817 ( 1.341 -2.759 2.131) 3.735 2.853 ( 2.219 4.288 -6.869) 8.397 2.909 ( -0.449 3.739 -1.535) 4.066 2.979 ( -3.561 1.914 -1.130) 4.197 3.111 ( -2.032 -1.812 2.904) 3.981 3.207 ( 3.806 2.920 -3.374) 5.865 3.249 ( 1.880 -2.164 -4.361) 5.219 3.300 ( -2.105 6.005 0.878) 6.424 3.436 ( -1.631 1.431 -2.829) 3.565 3.512 ( 0.514 -1.694 -0.341) 1.803 3.628 ( -0.527 4.333 0.098) 4.366 3.651 ( -3.506 -9.113 6.825) 11.913 3.716 ( -1.636 -3.925 4.517) 6.204 3.788 ( -3.577 0.566 1.842) 4.063 3.847 ( -3.212 -5.108 4.252) 7.382 3.966 ( 2.469 2.935 6.684) 7.706 4.099 ( 1.726 -8.519 6.929) 11.116 4.237 ( 5.108 4.438 2.892) 7.359 4.330 ( 5.467 -4.762 2.120) 7.554 4.561 ( 7.019 5.265 1.855) 8.968 4.610 ( 4.357 0.445 -5.731) 7.213 4.724 ( -3.500 6.674 -0.341) 7.544 4.852 ( 4.427 3.612 -0.495) 5.735 4.866 ( -0.572 -4.271 -1.711) 4.636 4.953 ( -3.130 3.742 3.197) 5.833 5.101 ( 2.886 9.936 1.301) 10.428 5.151 ( -0.629 6.398 0.870) 6.488 5.250 ( 6.041 -5.282 0.449) 8.037 5.271 ( -2.153 -4.417 3.165) 5.845 5.338 ( 0.644 -2.817 -1.263) 3.153 5.420 ( -3.442 -10.002 1.682) 10.711 5.639 ( -1.505 3.011 7.033) 7.797 5.743 ( 4.211 -5.682 4.225) 8.238 5.881 ( 2.163 0.024 -0.248) 2.178 5.921 ( 1.223 -1.347 0.195) 1.830 6.020 ( 3.552 1.230 2.402) 4.461 6.064 ( 2.968 -0.754 -0.002) 3.062 6.119 ( 5.701 0.616 2.058) 6.093 6.149 ( 0.705 -1.557 1.339) 2.172 6.273 ( 1.524 5.333 0.724) 5.594 6.340 ( -1.599 -0.924 -1.981) 2.708 6.616 ( -1.192 4.335 -6.037) 7.527 6.711 ( -3.647 -4.323 -3.620) 6.714 6.946 ( -0.675 4.601 -1.619) 4.924 7.036 ( 2.318 -4.826 -7.043) 8.847 7.163 ( 0.743 2.912 2.489) 3.902 7.265 ( -0.941 -6.372 -1.378) 6.587 7.450 ( -1.666 7.826 -7.538) 10.993 7.572 ( -3.153 -1.579 -7.039) 7.872 7.874 ( -3.282 0.523 0.641) 3.385 7.973 ( -3.632 -7.107 1.454) 8.113 8.222 ( -3.235 1.241 3.402) 4.856 8.240 ( -2.677 -0.422 3.672) 4.563 8.504 ( -1.992 5.394 -3.218) 6.589 8.608 ( 0.504 -3.940 -4.852) 6.270 8.689 ( -1.522 3.806 1.746) 4.456 8.750 ( -4.571 -2.096 0.965) 5.121 9.391 ( -1.098 1.909 -0.580) 2.277 9.442 ( -0.922 -1.631 -1.681) 2.518 9.629 ( 1.805 3.933 1.162) 4.481 9.708 ( -2.730 -0.726 -4.564) 5.368 9.770 ( 2.477 -1.631 2.343) 3.780 9.823 ( 4.163 -3.028 -4.581) 6.891 9.861 ( 1.042 4.945 -3.821) 6.335 9.961 ( 0.893 -4.201 -3.452) 5.511 10.869 ( -0.672 2.087 -1.047) 2.430 10.923 ( -1.985 -3.234 -0.194) 3.800 11.147 ( 2.020 0.937 -0.107) 2.229 11.181 ( 3.199 -2.202 0.975) 4.004 11.457 ( -1.182 2.631 3.207) 4.313 11.549 ( -1.531 -4.124 0.480) 4.425 11.594 ( -0.604 1.383 0.927) 1.771 11.681 ( -0.055 -5.170 -1.274) 5.325 12.383 ( -0.153 1.072 0.399) 1.154 12.416 ( -0.198 -1.919 0.943) 2.147 12.663 ( 0.672 0.794 0.907) 1.380 12.667 ( 0.874 0.534 0.341) 1.080 13.095 ( 1.208 1.232 0.151) 1.732 13.136 ( 1.080 -2.588 0.215) 2.812 13.317 ( 1.262 1.120 -0.609) 1.794 13.335 ( 0.294 -0.680 -0.137) 0.753 14.258 ( 0.777 1.954 0.159) 2.109 14.279 ( 1.523 0.079 -0.112) 1.529 14.394 ( -0.816 0.889 2.120) 2.439 14.447 ( -0.388 -3.606 0.400) 3.649 14.771 ( 0.382 6.834 1.351) 6.977 14.901 ( 1.271 -2.522 -2.276) 3.628 14.942 ( 1.654 -0.504 -0.680) 1.858 14.969 ( -0.365 -3.684 -0.287) 3.713 15.717 ( 1.038 2.091 2.760) 3.615 15.762 ( 0.869 -1.978 3.486) 4.101 16.048 ( -3.484 4.956 -2.221) 6.453 16.136 ( -4.002 -3.319 -2.830) 5.919 16.499 ( -1.502 0.347 0.849) 1.760 16.530 ( -0.748 -2.799 0.810) 3.008 16.950 ( -2.473 2.435 -0.410) 3.494 16.988 ( -1.467 -1.003 -0.385) 1.819 17.297 ( 0.285 0.403 0.084) 0.501 17.314 ( 0.492 -1.326 -0.652) 1.558 17.460 ( 0.554 2.308 4.323) 4.931 17.516 ( 1.087 -2.739 1.236) 3.195 17.898 ( -2.036 6.417 1.942) 7.007 18.011 ( -1.266 -3.816 2.487) 4.727 18.209 ( -0.547 6.863 -0.675) 6.918 18.366 ( -2.830 -7.259 -0.858) 7.839 18.563 ( -0.050 6.671 1.241) 6.786 18.714 ( -3.599 -7.188 1.136) 8.118 18.920 ( 0.590 2.488 0.038) 2.557 18.964 ( -2.485 -1.466 1.452) 3.230 19.303 ( 0.705 13.492 -0.440) 13.518 19.548 ( 1.699 -7.866 -3.168) 8.649 19.741 ( 6.490 6.227 -2.327) 9.290 19.906 ( 5.461 -8.300 -0.976) 9.983 25.813 ( 0.132 0.206 -1.439) 1.460 25.845 ( -0.198 -2.421 -0.537) 2.487 26.031 ( 1.089 3.917 -0.219) 4.071 26.128 ( 2.310 -4.405 -2.170) 5.427 26.516 ( 0.937 0.909 0.095) 1.309 26.527 ( 0.833 -0.102 -0.257) 0.878 26.610 ( 1.240 1.134 -2.740) 3.214 26.646 ( 1.754 -2.079 -1.817) 3.271 26.820 ( 2.147 3.094 2.144) 4.333 26.866 ( 2.245 -1.213 1.820) 3.134 27.000 ( -1.446 3.707 -0.365) 3.996 27.013 ( -1.348 2.519 0.029) 2.857 27.112 ( 0.298 3.535 0.811) 3.639 27.156 ( 1.089 2.142 -2.201) 3.258 27.205 ( 0.721 1.285 0.531) 1.566 27.307 ( 0.329 -4.134 -0.573) 4.186 27.424 ( -1.935 2.126 6.945) 7.516 27.482 ( -0.835 -3.339 7.537) 8.286 27.894 ( -0.572 6.538 3.472) 7.425 28.007 ( 4.413 -4.077 3.168) 6.792 28.114 ( 5.480 5.351 0.441) 7.671 28.255 ( -0.899 -5.163 -1.627) 5.488 28.421 ( -8.489 -2.347 -2.552) 9.170 28.456 ( -1.065 -3.938 -1.094) 4.224 29.134 ( -4.031 3.081 -10.102) 11.304 29.208 ( -1.682 -3.732 -8.024) 9.008 29.628 ( 10.595 2.546 7.794) 13.397 29.683 ( 12.386 -2.539 7.046) 14.474 30.388 ( 0.647 2.169 1.114) 2.523 30.451 ( -2.019 -3.834 1.047) 4.458 30.709 ( -11.135 1.898 -3.530) 11.835 30.761 ( -12.264 -3.022 -6.602) 14.252 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -4.637 0.000 23.109) 23.570 1.130 ( -4.181 0.000 29.416) 29.711 1.624 ( 2.129 0.000 32.061) 32.131 1.673 ( 5.214 0.000 -19.849) 20.522 2.191 ( -2.000 0.000 15.990) 16.114 2.292 ( -2.969 0.000 -12.195) 12.551 2.330 ( 0.604 0.000 -2.783) 2.847 2.569 ( 3.057 0.000 -0.357) 3.077 2.613 ( -0.858 0.000 3.361) 3.468 2.678 ( 0.991 0.000 9.155) 9.208 2.761 ( 6.098 0.000 -6.439) 8.869 2.785 ( 1.109 0.000 -7.426) 7.508 2.869 ( -2.525 0.000 11.252) 11.532 2.918 ( 5.899 0.000 -5.668) 8.180 3.131 ( -5.625 0.000 -9.964) 11.442 3.138 ( -1.296 0.000 -0.947) 1.605 3.192 ( 0.025 0.000 -3.961) 3.961 3.229 ( 1.316 0.000 -4.990) 5.161 3.386 ( -2.776 0.000 -3.022) 4.104 3.394 ( 1.627 0.000 -3.504) 3.863 3.476 ( 1.960 0.000 1.370) 2.391 3.583 ( 7.582 0.000 -6.636) 10.076 3.604 ( -1.556 0.000 0.743) 1.724 3.785 ( -1.985 0.000 5.393) 5.747 3.835 ( -5.977 0.000 -2.419) 6.448 3.961 ( 1.183 0.000 -0.864) 1.465 3.987 ( -10.959 0.000 6.487) 12.735 4.129 ( 4.625 0.000 -5.054) 6.850 4.298 ( -2.638 0.000 1.942) 3.275 4.405 ( 0.082 0.000 -12.026) 12.026 4.443 ( 0.275 0.000 11.259) 11.262 4.446 ( 1.324 0.000 -6.310) 6.448 4.705 ( -1.747 0.000 4.944) 5.244 4.761 ( 2.018 0.000 -5.219) 5.596 4.885 ( -3.878 0.000 0.774) 3.954 4.930 ( -2.344 0.000 7.219) 7.590 5.045 ( 5.461 0.000 15.842) 16.757 5.083 ( 3.718 0.000 9.287) 10.004 5.179 ( -1.145 0.000 -4.967) 5.097 5.351 ( 7.131 0.000 0.779) 7.173 5.469 ( -2.246 0.000 -9.206) 9.476 5.627 ( -5.689 0.000 -11.475) 12.808 5.724 ( 2.751 0.000 11.255) 11.587 5.807 ( -0.530 0.000 3.087) 3.132 5.894 ( -2.078 0.000 0.932) 2.278 5.935 ( -5.604 0.000 -0.379) 5.617 6.003 ( 6.076 0.000 4.883) 7.795 6.107 ( 0.178 0.000 -4.554) 4.557 6.181 ( 6.933 0.000 1.303) 7.054 6.201 ( 5.980 0.000 1.223) 6.104 6.243 ( 1.758 0.000 0.405) 1.804 6.336 ( -4.336 0.000 -10.636) 11.486 6.746 ( -0.991 0.000 11.353) 11.396 6.846 ( -1.871 0.000 0.408) 1.915 7.006 ( -0.500 0.000 -5.893) 5.914 7.083 ( -5.126 0.000 6.327) 8.143 7.137 ( -10.067 0.000 -3.019) 10.510 7.164 ( 5.471 0.000 -3.209) 6.342 7.224 ( 5.166 0.000 -4.414) 6.795 7.463 ( -0.677 0.000 -10.446) 10.468 7.881 ( 0.912 0.000 -0.010) 0.912 7.959 ( -0.213 0.000 -4.131) 4.137 8.145 ( -4.418 0.000 2.751) 5.205 8.246 ( 0.636 0.000 3.852) 3.904 8.365 ( -3.269 0.000 1.097) 3.448 8.555 ( 8.798 0.000 -3.268) 9.386 8.653 ( 1.004 0.000 3.106) 3.264 8.740 ( 2.199 0.000 -2.090) 3.033 9.338 ( -3.067 0.000 2.134) 3.737 9.506 ( 3.717 0.000 -5.940) 7.008 9.574 ( -2.848 0.000 2.186) 3.590 9.579 ( -0.288 0.000 4.465) 4.474 9.638 ( 2.161 0.000 -0.833) 2.316 9.787 ( 1.984 0.000 -5.509) 5.855 9.954 ( 1.292 0.000 -0.334) 1.334 9.981 ( -1.866 0.000 -2.215) 2.896 10.835 ( 2.703 0.000 0.413) 2.734 10.916 ( -6.218 0.000 -3.651) 7.211 11.233 ( 3.658 0.000 3.104) 4.798 11.287 ( -3.930 0.000 0.317) 3.942 11.528 ( 1.595 0.000 5.760) 5.977 11.545 ( 0.907 0.000 3.456) 3.573 11.689 ( -1.184 0.000 -3.451) 3.648 11.760 ( -1.112 0.000 -5.176) 5.294 12.421 ( 1.495 0.000 1.641) 2.219 12.478 ( -2.663 0.000 -1.669) 3.143 12.656 ( 1.294 0.000 0.990) 1.629 12.656 ( -0.589 0.000 1.175) 1.314 13.114 ( 0.391 0.000 0.078) 0.399 13.142 ( -1.740 0.000 -1.669) 2.411 13.329 ( 4.758 0.000 1.318) 4.938 13.335 ( -2.632 0.000 0.641) 2.709 14.167 ( 0.300 0.000 0.604) 0.674 14.227 ( -0.866 0.000 -1.994) 2.173 14.441 ( -1.130 0.000 1.796) 2.122 14.505 ( 0.590 0.000 -1.472) 1.585 14.871 ( -0.377 0.000 2.417) 2.447 14.903 ( 2.214 0.000 0.266) 2.230 14.947 ( 0.448 0.000 -2.196) 2.241 14.978 ( -8.657 0.000 -2.389) 8.980 15.770 ( 2.436 0.000 1.414) 2.817 15.838 ( -0.347 0.000 -1.707) 1.742 15.914 ( -1.131 0.000 5.928) 6.035 16.111 ( 2.405 0.000 -4.300) 4.927 16.512 ( -1.308 0.000 2.882) 3.165 16.638 ( -0.096 0.000 -2.852) 2.854 16.818 ( -1.855 0.000 2.536) 3.142 16.941 ( 3.221 0.000 -3.581) 4.816 17.327 ( 0.080 0.000 2.215) 2.216 17.397 ( 1.734 0.000 -1.280) 2.156 17.610 ( -0.081 0.000 0.946) 0.950 17.640 ( -5.975 0.000 -0.816) 6.031 17.748 ( 2.957 0.000 9.120) 9.587 18.032 ( 0.045 0.000 -4.660) 4.660 18.147 ( 1.007 0.000 4.688) 4.795 18.315 ( -1.144 0.000 -4.149) 4.304 18.558 ( 0.589 0.000 2.960) 3.018 18.703 ( 5.628 0.000 -3.785) 6.782 18.944 ( -5.497 0.000 2.168) 5.909 18.976 ( 4.525 0.000 0.269) 4.533 18.989 ( 0.349 0.000 5.154) 5.166 19.196 ( 2.604 0.000 -5.098) 5.724 19.927 ( 2.558 0.000 3.630) 4.441 20.105 ( -3.520 0.000 -5.062) 6.166 25.795 ( -0.519 0.000 -2.078) 2.141 25.818 ( 1.437 0.000 -3.498) 3.782 26.112 ( -0.299 0.000 3.620) 3.633 26.185 ( 1.472 0.000 0.446) 1.538 26.511 ( -0.962 0.000 0.809) 1.257 26.571 ( 0.953 0.000 -2.679) 2.844 26.599 ( 1.746 0.000 4.401) 4.735 26.701 ( -1.272 0.000 0.069) 1.274 26.714 ( 2.105 0.000 -0.048) 2.105 26.772 ( -2.062 0.000 -3.439) 4.010 26.873 ( -3.291 0.000 1.103) 3.471 26.898 ( 3.443 0.000 0.024) 3.444 26.946 ( 2.875 0.000 3.048) 4.190 27.111 ( -6.035 0.000 0.830) 6.091 27.134 ( -4.448 0.000 -3.297) 5.536 27.238 ( -0.166 0.000 -2.215) 2.222 27.453 ( 1.692 0.000 5.751) 5.995 27.605 ( -1.867 0.000 -1.526) 2.411 27.905 ( 4.461 0.000 9.623) 10.607 28.125 ( -13.366 0.000 3.778) 13.890 28.134 ( 0.942 0.000 -2.269) 2.457 28.260 ( -7.311 0.000 10.553) 12.838 28.377 ( 0.525 0.000 -9.277) 9.292 28.707 ( -0.530 0.000 -9.334) 9.349 29.040 ( 2.022 0.000 -1.492) 2.513 29.125 ( 6.853 0.000 -3.231) 7.576 29.850 ( 2.664 0.000 9.268) 9.643 30.158 ( -7.150 0.000 -6.913) 9.946 30.326 ( -4.171 0.000 1.310) 4.372 30.421 ( 6.613 0.000 -3.499) 7.481 30.518 ( -1.755 0.000 0.066) 1.756 30.543 ( 9.885 0.000 -0.993) 9.934 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 11.690 0.000 16.610) 20.311 1.174 ( 7.753 0.000 21.676) 23.021 1.859 ( 11.897 0.000 -14.370) 18.655 1.962 ( 24.422 0.000 16.517) 29.483 2.218 ( 1.155 0.000 14.095) 14.143 2.277 ( 4.940 0.000 -7.486) 8.969 2.317 ( -0.715 0.000 -2.214) 2.327 2.527 ( -11.186 0.000 4.184) 11.943 2.563 ( -4.145 0.000 -0.426) 4.167 2.637 ( 1.750 0.000 1.404) 2.244 2.777 ( -2.894 0.000 -3.040) 4.197 2.878 ( 1.734 0.000 2.136) 2.751 2.885 ( -13.829 0.000 -2.688) 14.088 2.931 ( 9.159 0.000 6.951) 11.498 3.001 ( 0.297 0.000 -4.053) 4.064 3.054 ( -8.119 0.000 1.732) 8.301 3.167 ( -0.767 0.000 -5.078) 5.135 3.292 ( -1.214 0.000 -9.096) 9.177 3.298 ( -2.096 0.000 -0.971) 2.310 3.424 ( 1.759 0.000 -8.832) 9.005 3.431 ( -2.695 0.000 -4.227) 5.013 3.600 ( 1.047 0.000 -7.456) 7.529 3.601 ( -9.262 0.000 3.490) 9.898 3.742 ( -8.958 0.000 6.401) 11.009 3.754 ( 7.012 0.000 4.218) 8.183 3.876 ( 1.833 0.000 -2.698) 3.262 4.043 ( 7.230 0.000 5.209) 8.911 4.161 ( -4.299 0.000 1.211) 4.466 4.314 ( 2.334 0.000 -1.819) 2.959 4.386 ( -0.663 0.000 -13.743) 13.759 4.465 ( 2.778 0.000 10.601) 10.959 4.516 ( 5.633 0.000 -8.598) 10.279 4.640 ( -6.223 0.000 -5.954) 8.613 4.722 ( -2.974 0.000 11.215) 11.602 4.735 ( -8.961 0.000 12.565) 15.433 4.949 ( 2.299 0.000 -9.832) 10.098 5.098 ( -2.571 0.000 11.339) 11.627 5.167 ( 0.970 0.000 -3.456) 3.589 5.175 ( 6.345 0.000 11.769) 13.371 5.434 ( -0.761 0.000 -7.072) 7.113 5.454 ( 2.565 0.000 4.640) 5.302 5.543 ( -2.678 0.000 -13.143) 13.413 5.765 ( 1.698 0.000 9.183) 9.339 5.783 ( -3.634 0.000 4.171) 5.532 5.854 ( -0.874 0.000 -3.153) 3.272 5.890 ( 0.156 0.000 5.676) 5.678 5.959 ( -11.984 0.000 -3.725) 12.549 6.083 ( 1.076 0.000 4.451) 4.579 6.220 ( -4.790 0.000 -4.286) 6.428 6.280 ( 2.892 0.000 3.369) 4.440 6.322 ( 1.466 0.000 -9.301) 9.416 6.357 ( 8.330 0.000 -1.695) 8.501 6.732 ( 0.116 0.000 9.153) 9.154 6.828 ( -0.450 0.000 -0.474) 0.654 6.831 ( -15.267 0.000 4.629) 15.954 7.020 ( -1.645 0.000 5.791) 6.020 7.024 ( 3.285 0.000 -2.480) 4.116 7.229 ( 2.525 0.000 -9.420) 9.752 7.322 ( 5.010 0.000 -1.101) 5.130 7.527 ( 3.903 0.000 -4.881) 6.250 7.945 ( 5.047 0.000 -2.982) 5.862 7.996 ( 4.186 0.000 -2.469) 4.860 8.134 ( 3.073 0.000 1.498) 3.419 8.262 ( -0.335 0.000 5.693) 5.703 8.316 ( -0.698 0.000 -1.334) 1.506 8.662 ( -0.294 0.000 3.181) 3.195 8.662 ( -1.495 0.000 -6.150) 6.329 8.900 ( 12.097 0.000 -8.840) 14.983 9.322 ( 1.185 0.000 -2.008) 2.331 9.470 ( -6.027 0.000 2.099) 6.382 9.549 ( -0.851 0.000 3.384) 3.489 9.602 ( 2.675 0.000 -3.700) 4.565 9.675 ( 0.771 0.000 -1.710) 1.876 9.797 ( -1.091 0.000 -4.067) 4.211 9.954 ( -0.203 0.000 -3.231) 3.237 9.971 ( 0.393 0.000 0.478) 0.619 10.824 ( -1.498 0.000 -1.579) 2.177 10.882 ( 1.720 0.000 1.750) 2.454 11.194 ( -4.812 0.000 0.638) 4.854 11.306 ( 2.559 0.000 3.009) 3.950 11.549 ( -0.237 0.000 4.515) 4.522 11.558 ( 0.833 0.000 5.433) 5.496 11.675 ( 0.234 0.000 -3.807) 3.814 11.743 ( -0.152 0.000 -5.450) 5.453 12.424 ( -1.869 0.000 -0.439) 1.919 12.447 ( 0.802 0.000 2.300) 2.436 12.645 ( -0.500 0.000 0.652) 0.822 12.677 ( 0.632 0.000 1.050) 1.226 13.108 ( -1.557 0.000 -1.781) 2.365 13.114 ( -0.778 0.000 0.362) 0.858 13.307 ( 0.229 0.000 -1.736) 1.751 13.415 ( 3.263 0.000 1.769) 3.711 14.181 ( 1.114 0.000 1.214) 1.648 14.208 ( -0.763 0.000 -1.811) 1.966 14.412 ( -1.816 0.000 1.920) 2.643 14.517 ( 0.494 0.000 -1.524) 1.603 14.772 ( -8.444 0.000 4.986) 9.806 14.858 ( -0.424 0.000 1.163) 1.238 14.957 ( 2.141 0.000 2.387) 3.206 14.976 ( 1.132 0.000 -1.777) 2.107 15.785 ( -0.307 0.000 0.932) 0.981 15.816 ( -1.576 0.000 -1.571) 2.225 15.908 ( 0.383 0.000 5.015) 5.029 16.178 ( 3.573 0.000 -4.930) 6.089 16.514 ( 1.370 0.000 2.238) 2.624 16.644 ( 0.640 0.000 -1.272) 1.424 16.814 ( 1.419 0.000 1.696) 2.211 16.991 ( 1.328 0.000 -2.373) 2.719 17.360 ( 2.804 0.000 0.587) 2.865 17.441 ( 2.184 0.000 -0.886) 2.357 17.506 ( -5.768 0.000 2.646) 6.346 17.586 ( -1.835 0.000 1.426) 2.324 17.791 ( 1.425 0.000 5.690) 5.866 17.994 ( -2.865 0.000 -4.747) 5.545 18.168 ( 0.846 0.000 5.543) 5.607 18.307 ( 0.670 0.000 -3.509) 3.572 18.638 ( 5.710 0.000 1.313) 5.859 18.680 ( -6.027 0.000 -2.600) 6.564 18.821 ( -5.512 0.000 0.033) 5.512 19.035 ( 1.908 0.000 2.644) 3.260 19.239 ( 18.393 0.000 -7.561) 19.887 19.255 ( 2.887 0.000 -3.375) 4.441 19.924 ( -2.883 0.000 4.269) 5.151 19.969 ( -9.366 0.000 -5.006) 10.620 25.789 ( 0.032 0.000 -2.356) 2.356 25.823 ( -0.800 0.000 -2.959) 3.065 26.115 ( 0.527 0.000 3.446) 3.486 26.221 ( 1.560 0.000 -0.020) 1.560 26.490 ( -0.901 0.000 0.586) 1.074 26.579 ( -0.249 0.000 -2.192) 2.206 26.610 ( -0.808 0.000 4.637) 4.707 26.664 ( -1.969 0.000 -0.471) 2.024 26.700 ( -5.358 0.000 -1.137) 5.477 26.756 ( 1.613 0.000 -0.916) 1.854 26.792 ( -3.948 0.000 1.607) 4.263 26.946 ( -2.136 0.000 -1.491) 2.605 26.953 ( 0.780 0.000 -0.267) 0.824 26.996 ( 1.530 0.000 4.740) 4.981 27.149 ( 1.610 0.000 2.548) 3.014 27.247 ( 1.056 0.000 -2.077) 2.330 27.478 ( 0.647 0.000 4.749) 4.793 27.549 ( -2.895 0.000 -1.254) 3.155 27.855 ( -7.607 0.000 14.909) 16.738 27.967 ( 0.602 0.000 6.961) 6.987 28.106 ( -3.173 0.000 -3.942) 5.061 28.297 ( 6.360 0.000 8.554) 10.659 28.392 ( 1.147 0.000 -6.954) 7.048 28.690 ( -2.214 0.000 -3.520) 4.158 29.088 ( 3.189 0.000 -6.262) 7.028 29.139 ( -4.576 0.000 -6.395) 7.863 29.848 ( -3.118 0.000 5.062) 5.946 29.921 ( -11.175 0.000 1.916) 11.338 30.269 ( 0.255 0.000 1.942) 1.958 30.465 ( 4.052 0.000 -4.644) 6.164 30.574 ( 5.691 0.000 1.395) 5.860 30.941 ( 16.038 0.000 -12.116) 20.100 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 21.607 0.000 1.318) 21.647 1.401 ( 12.593 0.000 7.806) 14.817 2.017 ( -15.723 0.000 6.735) 17.105 2.026 ( 3.691 0.000 -10.878) 11.487 2.278 ( 2.029 0.000 -2.026) 2.867 2.321 ( -2.670 0.000 -1.711) 3.172 2.419 ( -6.070 0.000 2.270) 6.480 2.436 ( 4.688 0.000 -0.054) 4.688 2.619 ( -10.375 0.000 4.113) 11.160 2.671 ( 26.974 0.000 7.911) 28.110 2.703 ( -4.046 0.000 -3.959) 5.661 2.705 ( 0.304 0.000 0.571) 0.647 2.842 ( -6.358 0.000 -3.718) 7.365 2.895 ( 3.472 0.000 2.241) 4.132 2.971 ( -0.181 0.000 0.250) 0.308 3.066 ( 1.061 0.000 3.314) 3.480 3.109 ( -11.143 0.000 3.371) 11.642 3.190 ( 0.013 0.000 -3.816) 3.816 3.320 ( -4.524 0.000 3.743) 5.872 3.436 ( 9.345 0.000 1.937) 9.544 3.466 ( 0.189 0.000 -13.665) 13.666 3.491 ( 2.012 0.000 -3.942) 4.425 3.636 ( 2.565 0.000 -2.848) 3.833 3.739 ( 5.989 0.000 -0.596) 6.019 3.828 ( -1.906 0.000 4.266) 4.672 3.944 ( 7.346 0.000 -4.371) 8.548 4.039 ( -10.165 0.000 4.996) 11.326 4.090 ( -3.788 0.000 -3.349) 5.056 4.209 ( -7.561 0.000 4.901) 9.011 4.445 ( 6.209 0.000 -7.151) 9.470 4.514 ( 0.073 0.000 8.690) 8.690 4.536 ( -7.751 0.000 0.258) 7.755 4.559 ( -5.636 0.000 4.878) 7.454 4.666 ( -1.099 0.000 3.398) 3.571 4.670 ( 6.840 0.000 -6.094) 9.161 4.962 ( -1.861 0.000 -6.795) 7.045 4.978 ( -7.217 0.000 13.362) 15.187 5.251 ( 7.343 0.000 -4.985) 8.875 5.309 ( 5.867 0.000 5.153) 7.809 5.435 ( 0.901 0.000 -6.900) 6.959 5.447 ( -3.900 0.000 7.502) 8.455 5.514 ( 0.427 0.000 -10.277) 10.286 5.681 ( -10.577 0.000 4.716) 11.581 5.694 ( -4.499 0.000 2.011) 4.928 5.815 ( 3.041 0.000 9.602) 10.072 5.855 ( 0.224 0.000 -2.940) 2.948 5.964 ( 3.889 0.000 7.870) 8.778 6.056 ( -3.373 0.000 3.910) 5.164 6.069 ( -7.616 0.000 -6.762) 10.185 6.295 ( -1.205 0.000 5.153) 5.292 6.359 ( 2.585 0.000 -5.658) 6.221 6.489 ( 4.279 0.000 -6.420) 7.715 6.613 ( -7.152 0.000 3.666) 8.037 6.775 ( 3.168 0.000 9.774) 10.274 6.805 ( -1.520 0.000 -4.970) 5.197 7.008 ( 0.115 0.000 4.528) 4.529 7.116 ( 4.243 0.000 -3.544) 5.528 7.255 ( 0.732 0.000 -7.402) 7.439 7.420 ( 4.419 0.000 0.576) 4.456 7.566 ( 0.308 0.000 0.605) 0.679 8.061 ( 5.568 0.000 -5.549) 7.861 8.118 ( 7.485 0.000 -0.480) 7.501 8.229 ( -2.142 0.000 2.461) 3.263 8.268 ( 10.014 0.000 -2.023) 10.216 8.330 ( 0.910 0.000 2.387) 2.555 8.573 ( -6.286 0.000 -5.374) 8.270 8.639 ( -1.975 0.000 4.804) 5.194 9.030 ( 0.352 0.000 -8.644) 8.651 9.350 ( -5.397 0.000 2.531) 5.961 9.362 ( 2.531 0.000 -6.760) 7.218 9.525 ( -1.180 0.000 4.892) 5.033 9.636 ( -3.127 0.000 -1.943) 3.681 9.638 ( 0.580 0.000 -2.606) 2.670 9.786 ( -0.061 0.000 -4.292) 4.293 9.971 ( -0.356 0.000 0.384) 0.523 9.980 ( 2.510 0.000 -3.683) 4.457 10.854 ( 3.557 0.000 -2.610) 4.412 10.896 ( -0.620 0.000 1.858) 1.959 11.122 ( -1.716 0.000 2.168) 2.765 11.302 ( -2.851 0.000 0.759) 2.950 11.561 ( -0.407 0.000 5.773) 5.787 11.565 ( 1.557 0.000 5.441) 5.660 11.698 ( 1.801 0.000 -3.795) 4.200 11.750 ( 0.860 0.000 -5.022) 5.095 12.415 ( 0.796 0.000 0.094) 0.801 12.449 ( -0.667 0.000 1.879) 1.994 12.640 ( 0.153 0.000 0.422) 0.449 12.673 ( -1.100 0.000 1.307) 1.708 13.071 ( -2.998 0.000 -0.176) 3.003 13.089 ( -0.141 0.000 -2.947) 2.951 13.347 ( 3.169 0.000 -0.346) 3.187 13.444 ( -0.547 0.000 2.036) 2.108 14.202 ( 0.294 0.000 -1.156) 1.192 14.206 ( 1.044 0.000 0.729) 1.273 14.379 ( -1.132 0.000 2.291) 2.555 14.517 ( -0.512 0.000 -2.208) 2.266 14.669 ( -2.220 0.000 7.718) 8.030 14.859 ( 0.443 0.000 -0.168) 0.474 14.970 ( -0.817 0.000 2.165) 2.314 14.993 ( 0.611 0.000 -1.548) 1.664 15.773 ( -0.833 0.000 1.146) 1.416 15.793 ( -0.443 0.000 -1.466) 1.531 15.922 ( 0.789 0.000 6.046) 6.097 16.227 ( 1.270 0.000 -6.072) 6.203 16.559 ( 2.800 0.000 1.135) 3.021 16.654 ( 0.221 0.000 -0.802) 0.832 16.864 ( 3.013 0.000 1.333) 3.295 16.996 ( -0.493 0.000 -1.470) 1.551 17.416 ( 1.802 0.000 2.062) 2.738 17.436 ( -0.996 0.000 2.588) 2.773 17.462 ( -0.049 0.000 0.971) 0.972 17.563 ( -0.417 0.000 -1.545) 1.600 17.812 ( 0.350 0.000 4.072) 4.087 17.948 ( -1.290 0.000 -4.076) 4.275 18.181 ( 0.223 0.000 6.834) 6.838 18.334 ( 1.867 0.000 -1.461) 2.371 18.576 ( -2.986 0.000 -5.055) 5.871 18.604 ( -6.880 0.000 -0.589) 6.905 18.893 ( 10.388 0.000 -0.657) 10.408 19.054 ( -0.048 0.000 3.963) 3.963 19.294 ( 0.965 0.000 -0.643) 1.160 19.548 ( 11.131 0.000 -9.225) 14.457 19.762 ( -9.596 0.000 -4.808) 10.733 19.825 ( -6.689 0.000 3.403) 7.505 25.795 ( 0.572 0.000 -2.638) 2.699 25.798 ( -1.303 0.000 -1.625) 2.083 26.133 ( 1.082 0.000 3.735) 3.888 26.229 ( -0.767 0.000 2.575) 2.686 26.483 ( 0.234 0.000 0.540) 0.588 26.562 ( -1.095 0.000 -1.785) 2.094 26.575 ( -2.505 0.000 3.397) 4.221 26.621 ( -1.863 0.000 -1.499) 2.391 26.639 ( -0.325 0.000 -0.689) 0.762 26.701 ( -3.686 0.000 0.283) 3.697 26.798 ( 1.083 0.000 1.171) 1.595 26.930 ( -0.222 0.000 -3.468) 3.475 26.998 ( -1.182 0.000 4.420) 4.576 27.014 ( 4.514 0.000 -3.055) 5.450 27.178 ( 1.044 0.000 2.989) 3.166 27.274 ( 1.410 0.000 -1.685) 2.197 27.493 ( 0.965 0.000 3.698) 3.822 27.516 ( -0.245 0.000 0.326) 0.408 27.808 ( 1.089 0.000 16.014) 16.051 27.939 ( -3.027 0.000 5.122) 5.950 28.040 ( -2.707 0.000 -4.073) 4.890 28.406 ( 0.035 0.000 -6.956) 6.956 28.455 ( 7.834 0.000 7.313) 10.717 28.632 ( -2.173 0.000 -1.142) 2.455 29.009 ( -6.473 0.000 -6.035) 8.850 29.135 ( 0.814 0.000 -9.478) 9.513 29.740 ( -7.297 0.000 5.024) 8.859 29.779 ( -2.916 0.000 0.212) 2.924 30.313 ( 2.894 0.000 4.386) 5.254 30.577 ( 6.372 0.000 -8.688) 10.775 30.700 ( 6.068 0.000 4.162) 7.358 31.105 ( 1.970 0.000 -9.978) 10.171 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -11.389 0.000 1.606) 11.502 1.582 ( 4.399 0.000 -8.199) 9.305 1.863 ( 13.945 0.000 3.547) 14.389 1.958 ( -11.438 0.000 -0.326) 11.443 2.252 ( -4.820 0.000 2.254) 5.321 2.327 ( 2.353 0.000 3.123) 3.910 2.341 ( 6.457 0.000 3.798) 7.491 2.497 ( -1.556 0.000 1.744) 2.337 2.561 ( -0.791 0.000 1.368) 1.580 2.632 ( -3.038 0.000 -7.481) 8.074 2.657 ( 2.320 0.000 -1.240) 2.631 2.688 ( -2.943 0.000 -4.324) 5.231 2.862 ( -11.746 0.000 3.352) 12.215 3.000 ( -0.703 0.000 4.699) 4.751 3.069 ( 8.132 0.000 -2.506) 8.509 3.091 ( 9.240 0.000 -7.860) 12.130 3.154 ( 3.428 0.000 0.449) 3.457 3.196 ( 0.401 0.000 -3.537) 3.560 3.277 ( -1.393 0.000 1.733) 2.224 3.407 ( -0.539 0.000 -0.424) 0.685 3.480 ( 1.054 0.000 -2.442) 2.660 3.665 ( -0.286 0.000 -5.881) 5.888 3.697 ( -4.456 0.000 0.491) 4.483 3.737 ( -9.951 0.000 10.582) 14.526 3.828 ( 1.410 0.000 -0.103) 1.414 3.878 ( 18.945 0.000 1.512) 19.006 3.962 ( -5.207 0.000 -8.456) 9.930 4.134 ( -2.604 0.000 11.214) 11.512 4.154 ( 10.965 0.000 -4.657) 11.912 4.391 ( -4.884 0.000 -2.331) 5.412 4.396 ( -5.826 0.000 6.148) 8.470 4.483 ( -6.933 0.000 13.627) 15.289 4.568 ( 3.932 0.000 -8.569) 9.428 4.606 ( -2.202 0.000 9.262) 9.520 4.800 ( 5.117 0.000 -6.831) 8.535 4.886 ( -3.938 0.000 -5.046) 6.401 4.957 ( 3.896 0.000 5.960) 7.121 5.282 ( -11.118 0.000 5.458) 12.385 5.338 ( -4.406 0.000 3.508) 5.632 5.398 ( 5.401 0.000 -3.229) 6.292 5.460 ( 1.891 0.000 -9.204) 9.397 5.569 ( 5.298 0.000 -3.677) 6.449 5.592 ( 0.271 0.000 7.176) 7.182 5.614 ( -3.289 0.000 3.236) 4.614 5.864 ( 1.039 0.000 -2.595) 2.795 5.868 ( 0.917 0.000 4.706) 4.794 5.960 ( 1.235 0.000 1.360) 1.837 5.987 ( -2.570 0.000 1.435) 2.943 6.103 ( 6.368 0.000 8.232) 10.407 6.250 ( -3.302 0.000 3.195) 4.595 6.404 ( 0.613 0.000 -6.670) 6.698 6.478 ( -5.678 0.000 -6.773) 8.838 6.546 ( 1.740 0.000 5.225) 5.507 6.793 ( 1.365 0.000 -8.831) 8.936 6.830 ( 1.332 0.000 10.328) 10.414 7.026 ( 1.417 0.000 2.868) 3.199 7.140 ( -2.131 0.000 -5.130) 5.556 7.277 ( 2.087 0.000 -5.605) 5.981 7.471 ( -0.190 0.000 2.341) 2.349 7.561 ( -0.556 0.000 0.297) 0.630 8.140 ( 1.818 0.000 -3.062) 3.561 8.153 ( -3.660 0.000 -1.806) 4.082 8.292 ( 7.544 0.000 2.962) 8.105 8.329 ( -1.276 0.000 2.561) 2.861 8.398 ( -3.137 0.000 -3.443) 4.658 8.507 ( 4.991 0.000 -8.824) 10.138 8.599 ( -1.894 0.000 7.910) 8.133 8.939 ( -7.485 0.000 -5.948) 9.561 9.294 ( 0.421 0.000 1.562) 1.617 9.413 ( 2.711 0.000 -6.690) 7.219 9.512 ( -0.290 0.000 4.419) 4.428 9.610 ( 0.303 0.000 -1.498) 1.529 9.628 ( -1.057 0.000 0.059) 1.059 9.770 ( -1.358 0.000 -5.502) 5.667 9.956 ( -1.207 0.000 -0.272) 1.238 10.023 ( 1.409 0.000 -3.601) 3.867 10.858 ( -2.795 0.000 0.777) 2.901 10.933 ( 4.129 0.000 -2.935) 5.066 11.143 ( 3.418 0.000 3.963) 5.234 11.227 ( -3.927 0.000 -0.723) 3.993 11.551 ( -0.679 0.000 5.669) 5.710 11.583 ( -0.334 0.000 4.781) 4.792 11.728 ( 1.038 0.000 -3.113) 3.282 11.769 ( 0.941 0.000 -4.735) 4.828 12.428 ( -1.271 0.000 0.894) 1.555 12.446 ( 2.107 0.000 0.442) 2.153 12.643 ( -1.577 0.000 1.093) 1.919 12.651 ( 0.783 0.000 0.984) 1.258 13.023 ( -1.344 0.000 -0.184) 1.356 13.099 ( 1.168 0.000 -3.493) 3.683 13.399 ( -3.705 0.000 1.856) 4.144 13.406 ( 2.347 0.000 1.926) 3.036 14.210 ( -0.718 0.000 -0.352) 0.800 14.217 ( 0.981 0.000 -0.598) 1.149 14.382 ( 1.434 0.000 2.739) 3.092 14.501 ( -0.783 0.000 -2.949) 3.051 14.682 ( 3.180 0.000 8.099) 8.701 14.863 ( -0.359 0.000 -2.113) 2.144 14.943 ( -1.383 0.000 1.986) 2.420 15.000 ( 0.259 0.000 -1.169) 1.197 15.751 ( -1.467 0.000 0.935) 1.739 15.798 ( 0.853 0.000 -1.007) 1.320 15.938 ( 0.520 0.000 7.374) 7.393 16.220 ( -1.735 0.000 -6.500) 6.728 16.607 ( 1.580 0.000 0.806) 1.774 16.653 ( -0.181 0.000 -1.754) 1.763 16.914 ( 1.610 0.000 1.625) 2.288 16.978 ( -1.275 0.000 -1.984) 2.358 17.403 ( -1.056 0.000 4.591) 4.711 17.460 ( 0.130 0.000 -0.083) 0.154 17.475 ( 2.511 0.000 2.111) 3.281 17.542 ( -1.908 0.000 -1.979) 2.749 17.798 ( -1.710 0.000 3.367) 3.777 17.942 ( 0.485 0.000 -2.897) 2.937 18.176 ( -0.845 0.000 6.662) 6.715 18.361 ( 0.075 0.000 4.357) 4.358 18.508 ( -1.018 0.000 -8.435) 8.496 18.588 ( 4.279 0.000 -6.112) 7.461 19.030 ( -2.878 0.000 3.481) 4.517 19.095 ( 8.314 0.000 0.912) 8.364 19.287 ( -2.113 0.000 3.956) 4.485 19.466 ( -12.406 0.000 -6.620) 14.062 19.696 ( -4.902 0.000 0.296) 4.911 19.820 ( 9.506 0.000 -4.736) 10.621 25.777 ( -0.761 0.000 -1.295) 1.502 25.807 ( 0.577 0.000 -2.680) 2.741 26.153 ( 0.592 0.000 4.494) 4.533 26.205 ( -1.469 0.000 3.300) 3.612 26.497 ( 0.677 0.000 1.068) 1.265 26.530 ( -1.395 0.000 1.516) 2.060 26.544 ( -0.707 0.000 -2.209) 2.319 26.620 ( 1.640 0.000 -1.685) 2.351 26.649 ( -1.397 0.000 0.740) 1.581 26.654 ( 1.717 0.000 -1.225) 2.109 26.807 ( 0.119 0.000 1.569) 1.574 26.916 ( -1.146 0.000 -2.836) 3.058 26.972 ( -1.184 0.000 2.670) 2.920 27.113 ( 5.145 0.000 -4.884) 7.094 27.186 ( -0.335 0.000 3.222) 3.239 27.289 ( 0.010 0.000 -1.590) 1.590 27.516 ( 0.929 0.000 2.914) 3.058 27.531 ( 1.399 0.000 1.247) 1.873 27.857 ( -2.024 0.000 11.753) 11.926 27.888 ( 3.512 0.000 8.979) 9.642 28.014 ( 0.353 0.000 -3.111) 3.131 28.385 ( -1.475 0.000 -9.041) 9.160 28.562 ( 2.322 0.000 4.421) 4.994 28.640 ( 2.861 0.000 0.418) 2.891 28.930 ( -1.093 0.000 -4.136) 4.278 29.107 ( -3.158 0.000 -11.658) 12.078 29.638 ( -2.802 0.000 6.271) 6.869 29.743 ( -0.780 0.000 0.500) 0.927 30.359 ( 1.424 0.000 4.076) 4.318 30.679 ( 3.502 0.000 -12.580) 13.058 30.789 ( 2.189 0.000 6.298) 6.668 31.055 ( -6.133 0.000 -6.676) 9.065 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -16.288 0.000 15.205) 22.283 1.624 ( 1.192 0.000 -19.065) 19.102 1.641 ( -17.540 0.000 15.599) 23.473 2.208 ( 9.358 0.000 -5.578) 10.894 2.249 ( 4.527 0.000 0.198) 4.531 2.328 ( 0.602 0.000 7.108) 7.133 2.438 ( -4.500 0.000 1.864) 4.871 2.458 ( -0.694 0.000 1.411) 1.573 2.577 ( -3.130 0.000 3.253) 4.515 2.651 ( 14.771 0.000 0.858) 14.796 2.691 ( -0.773 0.000 -9.028) 9.061 2.706 ( -1.254 0.000 -0.191) 1.269 2.803 ( -24.888 0.000 7.849) 26.096 2.816 ( 10.082 0.000 -1.604) 10.209 3.001 ( -0.919 0.000 2.681) 2.834 3.066 ( -6.409 0.000 2.481) 6.872 3.106 ( -4.296 0.000 -9.912) 10.803 3.268 ( 4.964 0.000 -0.832) 5.033 3.276 ( 3.879 0.000 -0.476) 3.908 3.459 ( -0.816 0.000 -0.172) 0.834 3.482 ( -0.548 0.000 -0.924) 1.074 3.576 ( -8.362 0.000 -3.049) 8.900 3.614 ( 0.794 0.000 3.949) 4.028 3.784 ( 5.272 0.000 -1.706) 5.541 3.808 ( 1.908 0.000 -8.541) 8.752 3.999 ( 4.467 0.000 -0.996) 4.577 4.088 ( 2.178 0.000 1.901) 2.891 4.297 ( 3.305 0.000 -6.792) 7.553 4.305 ( -4.352 0.000 -2.872) 5.214 4.314 ( -2.057 0.000 7.248) 7.534 4.352 ( 14.063 0.000 1.760) 14.172 4.394 ( 5.928 0.000 9.451) 11.157 4.580 ( -3.018 0.000 -8.007) 8.557 4.598 ( 1.125 0.000 12.510) 12.560 4.828 ( 1.633 0.000 -0.658) 1.761 4.908 ( 3.959 0.000 -7.529) 8.506 5.026 ( -5.605 0.000 2.750) 6.243 5.074 ( -1.746 0.000 7.751) 7.946 5.221 ( -5.341 0.000 6.823) 8.665 5.369 ( -6.549 0.000 1.920) 6.824 5.516 ( 1.787 0.000 -13.508) 13.625 5.614 ( 1.271 0.000 5.492) 5.637 5.631 ( 5.769 0.000 6.645) 8.800 5.686 ( 5.557 0.000 -2.178) 5.968 5.892 ( 2.299 0.000 -0.938) 2.483 5.893 ( 1.225 0.000 3.421) 3.634 5.981 ( 2.181 0.000 -3.436) 4.070 6.037 ( 4.468 0.000 4.582) 6.399 6.162 ( -5.636 0.000 0.736) 5.684 6.178 ( -0.352 0.000 8.912) 8.919 6.308 ( -9.781 0.000 -5.596) 11.269 6.409 ( 1.942 0.000 -7.486) 7.734 6.682 ( 10.259 0.000 7.810) 12.894 6.786 ( -1.787 0.000 11.039) 11.183 6.883 ( 2.988 0.000 -7.129) 7.730 7.054 ( 1.673 0.000 -0.213) 1.686 7.055 ( -4.985 0.000 -6.826) 8.453 7.326 ( 2.216 0.000 -7.102) 7.439 7.392 ( -7.470 0.000 4.871) 8.918 7.540 ( -1.802 0.000 -1.156) 2.141 8.072 ( -4.144 0.000 -3.208) 5.241 8.094 ( -6.068 0.000 -2.506) 6.565 8.286 ( -2.234 0.000 1.358) 2.615 8.330 ( -2.504 0.000 -3.073) 3.964 8.421 ( 3.924 0.000 2.749) 4.791 8.557 ( -1.283 0.000 -10.022) 10.104 8.576 ( -0.030 0.000 9.266) 9.267 8.812 ( -4.373 0.000 -3.844) 5.822 9.357 ( 4.747 0.000 -1.432) 4.958 9.456 ( 1.160 0.000 -2.495) 2.752 9.512 ( 0.463 0.000 2.951) 2.987 9.612 ( -0.763 0.000 -2.409) 2.527 9.618 ( 0.196 0.000 3.385) 3.391 9.741 ( -0.793 0.000 -5.639) 5.694 9.930 ( -1.027 0.000 -1.130) 1.527 10.031 ( -0.305 0.000 -2.801) 2.817 10.807 ( -1.919 0.000 -0.193) 1.929 11.004 ( 2.619 0.000 -3.545) 4.407 11.168 ( -1.531 0.000 -0.452) 1.596 11.234 ( 5.030 0.000 4.435) 6.706 11.536 ( -1.029 0.000 5.247) 5.347 11.557 ( -1.977 0.000 3.466) 3.990 11.732 ( -0.540 0.000 -3.430) 3.473 11.781 ( 0.355 0.000 -4.729) 4.742 12.405 ( -0.851 0.000 0.387) 0.935 12.487 ( 1.703 0.000 0.562) 1.793 12.624 ( -0.240 0.000 0.904) 0.935 12.664 ( 0.363 0.000 1.710) 1.748 13.029 ( 1.945 0.000 -0.041) 1.946 13.130 ( 2.026 0.000 -2.926) 3.559 13.315 ( -4.292 0.000 1.257) 4.472 13.430 ( -0.198 0.000 2.821) 2.828 14.187 ( -1.238 0.000 -0.634) 1.391 14.234 ( 0.623 0.000 -0.678) 0.921 14.423 ( 2.096 0.000 2.455) 3.228 14.492 ( -0.002 0.000 -3.051) 3.051 14.790 ( 6.996 0.000 5.854) 9.122 14.846 ( -0.784 0.000 -2.194) 2.330 14.925 ( -0.759 0.000 1.766) 1.922 15.011 ( 1.183 0.000 0.108) 1.188 15.719 ( -1.541 0.000 1.091) 1.888 15.818 ( 1.037 0.000 -0.994) 1.436 15.945 ( -0.083 0.000 7.836) 7.836 16.166 ( -3.204 0.000 -6.131) 6.918 16.609 ( -1.552 0.000 1.532) 2.181 16.649 ( -0.179 0.000 -3.254) 3.259 16.919 ( -1.196 0.000 2.594) 2.857 16.945 ( -1.967 0.000 -2.922) 3.523 17.382 ( -1.327 0.000 4.451) 4.645 17.438 ( -3.008 0.000 -0.214) 3.016 17.527 ( 3.010 0.000 5.085) 5.909 17.530 ( 1.869 0.000 -2.683) 3.270 17.763 ( -1.497 0.000 1.811) 2.350 17.960 ( 1.497 0.000 -3.029) 3.379 18.158 ( -1.012 0.000 5.356) 5.451 18.349 ( -0.688 0.000 1.876) 1.998 18.546 ( 3.340 0.000 -5.744) 6.644 18.714 ( 7.655 0.000 -4.137) 8.701 18.920 ( -8.736 0.000 -1.860) 8.932 19.183 ( 0.827 0.000 -0.204) 0.852 19.191 ( -7.445 0.000 6.752) 10.050 19.232 ( -9.880 0.000 -0.945) 9.925 19.697 ( 5.043 0.000 -1.042) 5.150 19.991 ( 7.508 0.000 -3.694) 8.367 25.770 ( 0.156 0.000 -1.503) 1.511 25.813 ( 0.042 0.000 -2.431) 2.431 26.150 ( -1.022 0.000 4.887) 4.992 26.181 ( -0.924 0.000 2.453) 2.621 26.501 ( 0.604 0.000 2.324) 2.401 26.535 ( 0.863 0.000 0.290) 0.910 26.537 ( 0.218 0.000 -2.562) 2.572 26.645 ( 0.889 0.000 0.843) 1.226 26.670 ( 2.730 0.000 -1.225) 2.992 26.702 ( 3.355 0.000 -0.665) 3.420 26.821 ( 1.612 0.000 1.226) 2.025 26.884 ( -1.891 0.000 -2.811) 3.388 26.955 ( -0.751 0.000 1.446) 1.630 27.162 ( -1.441 0.000 3.930) 4.186 27.213 ( 4.257 0.000 -5.449) 6.915 27.276 ( -1.061 0.000 -1.707) 2.010 27.509 ( -2.201 0.000 1.645) 2.748 27.564 ( 1.962 0.000 0.475) 2.018 27.804 ( -1.317 0.000 7.443) 7.559 28.028 ( 8.109 0.000 12.555) 14.946 28.043 ( 2.232 0.000 -2.664) 3.475 28.363 ( -0.286 0.000 -10.233) 10.237 28.579 ( 0.520 0.000 3.196) 3.238 28.720 ( 4.114 0.000 -0.021) 4.114 28.926 ( -0.488 0.000 -1.716) 1.784 29.023 ( -4.068 0.000 -11.548) 12.243 29.653 ( 4.874 0.000 6.444) 8.080 29.746 ( 0.997 0.000 3.529) 3.667 30.370 ( -0.238 0.000 2.472) 2.483 30.689 ( -2.619 0.000 -15.330) 15.552 30.776 ( -3.829 0.000 6.864) 7.860 30.881 ( -10.798 0.000 -4.732) 11.789 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -6.019 0.000 24.444) 25.174 1.311 ( -14.083 0.000 24.608) 28.353 1.648 ( 0.198 0.000 -20.861) 20.862 1.935 ( -27.498 0.000 17.307) 32.491 2.279 ( -6.613 0.000 11.930) 13.640 2.304 ( 0.767 0.000 -2.609) 2.719 2.392 ( -6.119 0.000 -4.220) 7.433 2.458 ( 6.894 0.000 1.373) 7.030 2.542 ( 6.786 0.000 14.489) 16.000 2.663 ( -0.754 0.000 1.659) 1.823 2.686 ( 1.852 0.000 -13.909) 14.032 2.731 ( 3.941 0.000 -4.670) 6.111 2.871 ( 1.190 0.000 -7.744) 7.835 2.949 ( -3.898 0.000 8.003) 8.902 3.036 ( 10.531 0.000 -0.166) 10.533 3.069 ( 6.509 0.000 -6.307) 9.063 3.082 ( 5.306 0.000 0.768) 5.361 3.327 ( 1.111 0.000 -0.319) 1.156 3.356 ( 5.095 0.000 0.757) 5.151 3.397 ( -7.033 0.000 -6.478) 9.561 3.433 ( -0.704 0.000 -1.573) 1.724 3.487 ( 0.503 0.000 -5.542) 5.565 3.665 ( 2.574 0.000 1.111) 2.803 3.774 ( -3.991 0.000 2.353) 4.632 3.881 ( 3.904 0.000 -5.513) 6.756 4.008 ( -4.547 0.000 -1.458) 4.775 4.108 ( -0.459 0.000 1.970) 2.023 4.176 ( -8.203 0.000 2.685) 8.631 4.327 ( 1.482 0.000 1.829) 2.354 4.361 ( 3.686 0.000 -9.892) 10.556 4.429 ( 0.667 0.000 5.253) 5.295 4.487 ( -4.429 0.000 -7.610) 8.805 4.599 ( 10.090 0.000 -0.762) 10.118 4.755 ( 2.839 0.000 11.329) 11.679 4.878 ( 2.108 0.000 -6.173) 6.523 4.901 ( 3.974 0.000 1.410) 4.217 4.978 ( 1.435 0.000 8.986) 9.100 5.059 ( -2.343 0.000 11.054) 11.300 5.227 ( 4.569 0.000 4.607) 6.489 5.232 ( -5.438 0.000 -1.636) 5.679 5.512 ( -1.502 0.000 -11.297) 11.396 5.656 ( 3.066 0.000 7.918) 8.491 5.715 ( -0.252 0.000 -6.860) 6.865 5.810 ( 5.553 0.000 5.563) 7.860 5.881 ( -1.069 0.000 2.149) 2.400 5.934 ( 0.276 0.000 1.575) 1.600 6.040 ( 0.360 0.000 4.149) 4.165 6.081 ( -0.029 0.000 -1.380) 1.380 6.086 ( 1.269 0.000 -0.297) 1.304 6.140 ( -4.414 0.000 -4.136) 6.049 6.180 ( 3.018 0.000 4.459) 5.385 6.424 ( -2.042 0.000 -7.408) 7.684 6.759 ( -0.954 0.000 13.401) 13.434 6.892 ( -1.862 0.000 -1.972) 2.712 6.931 ( 14.227 0.000 6.030) 15.453 6.994 ( -0.196 0.000 -7.101) 7.104 7.119 ( 4.879 0.000 -5.262) 7.175 7.222 ( -8.544 0.000 5.005) 9.902 7.300 ( -5.893 0.000 -8.572) 10.402 7.507 ( -1.011 0.000 -4.706) 4.813 7.953 ( -6.916 0.000 -1.959) 7.188 7.996 ( -3.141 0.000 -3.923) 5.026 8.252 ( -1.211 0.000 1.932) 2.280 8.256 ( -5.031 0.000 -0.282) 5.039 8.425 ( -2.419 0.000 3.750) 4.463 8.511 ( -2.147 0.000 -7.674) 7.968 8.616 ( 2.656 0.000 5.115) 5.764 8.740 ( -2.388 0.000 -1.469) 2.803 9.424 ( -4.378 0.000 1.955) 4.794 9.436 ( 3.339 0.000 -5.957) 6.829 9.546 ( 2.389 0.000 4.445) 5.046 9.603 ( 0.976 0.000 -2.477) 2.662 9.619 ( -0.855 0.000 4.135) 4.223 9.750 ( 1.518 0.000 -5.432) 5.640 9.928 ( 0.934 0.000 -1.323) 1.619 10.014 ( -1.302 0.000 -2.091) 2.464 10.795 ( 0.867 0.000 -0.575) 1.041 11.009 ( -2.322 0.000 -4.998) 5.512 11.176 ( 2.004 0.000 1.298) 2.387 11.313 ( 1.849 0.000 2.696) 3.269 11.515 ( -0.757 0.000 5.452) 5.505 11.530 ( -0.247 0.000 3.106) 3.115 11.713 ( -1.080 0.000 -3.819) 3.969 11.778 ( -0.513 0.000 -4.828) 4.855 12.400 ( 0.395 0.000 0.690) 0.795 12.505 ( -0.053 0.000 -0.568) 0.570 12.632 ( 0.911 0.000 1.035) 1.379 12.665 ( -0.292 0.000 1.610) 1.636 13.083 ( 2.782 0.000 -0.144) 2.785 13.165 ( 0.436 0.000 -2.516) 2.554 13.263 ( 0.402 0.000 1.276) 1.338 13.397 ( -2.988 0.000 2.444) 3.860 14.169 ( -0.520 0.000 -0.247) 0.576 14.238 ( -0.172 0.000 -1.425) 1.435 14.450 ( 0.384 0.000 1.959) 1.997 14.496 ( 0.383 0.000 -2.256) 2.288 14.848 ( 1.113 0.000 -0.236) 1.137 14.906 ( -1.113 0.000 1.103) 1.567 14.907 ( 3.536 0.000 -1.063) 3.693 15.055 ( 1.803 0.000 -0.559) 1.887 15.711 ( 1.540 0.000 2.832) 3.224 15.834 ( 0.586 0.000 -1.419) 1.535 15.936 ( -0.983 0.000 7.241) 7.308 16.109 ( -1.871 0.000 -5.281) 5.603 16.558 ( -3.030 0.000 2.501) 3.929 16.644 ( -0.224 0.000 -4.142) 4.148 16.873 ( -3.154 0.000 3.143) 4.453 16.911 ( -0.613 0.000 -3.297) 3.354 17.350 ( -1.879 0.000 3.564) 4.029 17.389 ( -1.124 0.000 -0.597) 1.273 17.583 ( 2.602 0.000 -1.709) 3.113 17.617 ( 5.769 0.000 7.967) 9.836 17.739 ( -1.360 0.000 0.592) 1.484 18.000 ( 2.436 0.000 -4.225) 4.877 18.142 ( -0.616 0.000 4.706) 4.746 18.336 ( -0.752 0.000 -2.396) 2.512 18.581 ( -0.655 0.000 2.025) 2.128 18.718 ( -8.470 0.000 -3.726) 9.254 18.863 ( 6.855 0.000 -2.092) 7.167 19.046 ( -5.996 0.000 3.963) 7.187 19.078 ( -6.405 0.000 4.916) 8.074 19.176 ( -0.424 0.000 -3.768) 3.792 19.829 ( 6.716 0.000 1.673) 6.922 20.103 ( 3.412 0.000 -4.018) 5.271 25.785 ( 1.438 0.000 -2.192) 2.621 25.807 ( -0.524 0.000 -2.106) 2.170 26.126 ( -1.188 0.000 4.254) 4.417 26.171 ( -0.004 0.000 1.572) 1.572 26.519 ( 0.385 0.000 1.747) 1.789 26.550 ( 1.060 0.000 -2.758) 2.955 26.556 ( 1.767 0.000 2.266) 2.873 26.675 ( 1.813 0.000 0.472) 1.873 26.706 ( 0.818 0.000 -0.098) 0.824 26.779 ( 3.054 0.000 -1.482) 3.395 26.850 ( -0.549 0.000 -2.027) 2.100 26.870 ( 2.845 0.000 1.715) 3.322 26.935 ( -1.384 0.000 0.960) 1.684 27.131 ( -1.296 0.000 3.591) 3.818 27.253 ( -1.108 0.000 -1.992) 2.280 27.261 ( -1.163 0.000 -8.209) 8.291 27.445 ( -2.468 0.000 4.341) 4.994 27.605 ( 1.665 0.000 -0.694) 1.804 27.824 ( 2.856 0.000 9.251) 9.681 28.091 ( 2.596 0.000 -2.607) 3.679 28.158 ( 3.483 0.000 6.031) 6.964 28.367 ( 0.715 0.000 -10.309) 10.334 28.547 ( -8.606 0.000 1.475) 8.731 28.745 ( -1.875 0.000 -8.190) 8.402 28.946 ( 6.221 0.000 2.608) 6.746 28.995 ( 1.837 0.000 -3.320) 3.794 29.785 ( 2.807 0.000 7.144) 7.676 29.870 ( 17.682 0.000 4.472) 18.238 30.362 ( -0.507 0.000 1.300) 1.395 30.550 ( -11.186 0.000 -14.211) 18.085 30.647 ( -8.487 0.000 4.506) 9.609 30.652 ( -10.830 0.000 -2.035) 11.019 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -3.636 18.341 17.299) 25.473 1.205 ( 1.830 10.762 23.585) 25.989 1.756 ( 5.072 6.777 -17.225) 19.192 1.883 ( 0.958 13.006 8.498) 15.566 2.215 ( -6.422 2.055 11.507) 13.337 2.293 ( 1.231 -0.854 -5.352) 5.558 2.354 ( -1.074 5.370 -0.918) 5.553 2.484 ( 2.673 -6.374 2.973) 7.524 2.594 ( 2.669 -7.216 -6.588) 10.129 2.673 ( 2.885 1.086 7.875) 8.457 2.685 ( 5.204 -1.075 8.940) 10.400 2.742 ( -5.230 -2.359 -6.640) 8.775 2.922 ( 2.497 -3.851 -0.018) 4.590 2.941 ( -2.428 -3.628 -6.324) 7.684 2.977 ( 1.611 4.063 -3.209) 5.422 3.127 ( 1.034 -6.837 0.050) 6.915 3.220 ( -0.079 0.069 -1.951) 1.953 3.250 ( 0.304 0.030 1.656) 1.684 3.284 ( 5.993 -5.431 -1.964) 8.323 3.365 ( -1.836 -2.265 -1.662) 3.357 3.419 ( -6.556 -0.260 -3.308) 7.348 3.549 ( -2.025 -0.015 -5.268) 5.644 3.655 ( 1.058 4.096 -1.461) 4.475 3.801 ( 0.916 1.258 2.169) 2.669 3.900 ( 0.964 0.978 4.151) 4.373 3.947 ( -5.554 -1.381 3.251) 6.582 4.013 ( -5.967 3.397 2.389) 7.270 4.167 ( 5.233 1.065 -3.507) 6.389 4.359 ( -3.039 4.179 -4.374) 6.770 4.417 ( 0.046 2.965 2.172) 3.676 4.519 ( -4.875 2.436 2.025) 5.814 4.583 ( 0.342 0.870 -3.581) 3.701 4.599 ( 3.858 4.876 5.589) 8.360 4.755 ( -1.318 3.325 -8.828) 9.525 4.907 ( 6.787 -6.075 6.056) 10.938 4.946 ( -3.525 2.073 7.609) 8.638 5.005 ( -1.616 2.203 6.369) 6.930 5.132 ( 4.690 5.511 6.062) 9.440 5.266 ( 1.521 3.436 -0.872) 3.858 5.376 ( 3.664 1.307 0.616) 3.939 5.450 ( -2.399 -1.874 -4.637) 5.547 5.561 ( -5.291 -5.990 -8.777) 11.871 5.691 ( -0.294 -5.265 7.479) 9.151 5.814 ( 0.181 3.664 3.992) 5.422 5.903 ( 1.574 -1.390 0.823) 2.255 5.956 ( -2.184 2.260 -2.433) 3.975 6.030 ( 0.205 2.650 -1.784) 3.201 6.048 ( 1.427 -4.378 0.596) 4.643 6.157 ( 5.524 -0.262 -1.549) 5.743 6.231 ( -0.196 0.326 -1.176) 1.236 6.273 ( 0.822 2.609 2.321) 3.588 6.386 ( -0.210 3.854 -4.091) 5.625 6.562 ( -1.427 -12.583 10.720) 16.592 6.749 ( -3.896 -7.098 2.145) 8.376 6.905 ( -4.716 -2.187 4.815) 7.086 7.072 ( 4.890 -5.728 -10.846) 13.204 7.089 ( 1.596 2.302 -5.691) 6.343 7.191 ( -0.127 0.181 -7.711) 7.714 7.385 ( -0.212 7.281 2.351) 7.654 7.483 ( 1.433 0.664 -3.911) 4.218 7.790 ( 0.155 -5.078 -0.190) 5.084 7.962 ( -3.411 -3.070 -6.282) 7.780 8.159 ( -2.817 2.262 3.352) 4.928 8.247 ( 0.546 -0.012 2.064) 2.135 8.420 ( -0.661 3.646 1.387) 3.957 8.570 ( 5.091 1.626 -2.833) 6.049 8.680 ( 1.058 1.866 2.113) 3.011 8.727 ( 0.451 -0.800 -0.456) 1.025 9.338 ( -2.782 0.397 1.248) 3.075 9.458 ( 4.128 -3.192 -4.809) 7.096 9.590 ( -1.252 1.229 2.646) 3.175 9.640 ( -0.303 2.180 -1.474) 2.649 9.658 ( -2.253 2.614 0.393) 3.473 9.803 ( 2.189 0.792 -5.095) 5.601 9.910 ( 0.958 -2.515 -0.466) 2.731 9.974 ( 0.460 -1.503 -3.181) 3.548 10.841 ( 2.202 0.515 0.164) 2.268 10.895 ( -4.576 -1.559 -2.280) 5.345 11.220 ( 3.048 -0.841 2.945) 4.321 11.277 ( -2.610 -1.064 -0.039) 2.818 11.510 ( 0.819 -1.409 4.933) 5.195 11.531 ( 0.332 -0.515 2.855) 2.920 11.645 ( -1.441 -3.933 -2.630) 4.946 11.714 ( -0.859 -3.786 -4.483) 5.930 12.410 ( 0.985 -0.637 1.677) 2.047 12.456 ( -1.339 -1.346 -0.566) 1.981 12.665 ( -0.392 0.890 1.120) 1.483 12.674 ( 1.020 1.128 0.605) 1.637 13.116 ( 0.943 0.396 0.704) 1.241 13.170 ( -1.633 1.119 -2.184) 2.947 13.314 ( 2.867 -0.834 0.711) 3.070 13.332 ( -1.356 -0.489 0.085) 1.444 14.202 ( 0.277 2.993 0.618) 3.069 14.259 ( -0.540 2.322 -1.790) 2.982 14.423 ( -1.582 -1.562 1.829) 2.878 14.482 ( 0.445 -1.929 -1.340) 2.390 14.791 ( -2.045 -2.894 4.938) 6.078 14.894 ( 1.592 -0.640 -0.935) 1.954 14.950 ( 0.913 -0.398 -1.266) 1.611 15.006 ( -3.506 -0.460 -4.066) 5.389 15.779 ( 1.751 0.928 2.379) 3.096 15.856 ( -0.470 0.735 0.021) 0.872 15.916 ( -0.587 1.007 3.463) 3.654 16.087 ( 1.434 -1.909 -4.044) 4.696 16.506 ( -0.648 -0.322 2.342) 2.451 16.598 ( -0.060 -2.910 -1.506) 3.277 16.868 ( -0.325 3.458 1.554) 3.805 16.956 ( 1.731 1.019 -2.623) 3.304 17.313 ( -0.413 -1.009 1.858) 2.154 17.366 ( 1.843 -2.174 -0.675) 2.929 17.549 ( -3.462 -4.143 2.484) 5.943 17.587 ( -0.214 -2.547 0.437) 2.593 17.835 ( 1.462 6.655 7.659) 10.251 18.081 ( 0.614 3.011 -4.107) 5.129 18.142 ( 1.300 -0.510 5.207) 5.391 18.330 ( -1.492 0.536 -4.202) 4.492 18.565 ( 0.282 0.640 2.428) 2.526 18.674 ( 1.488 -0.648 -2.858) 3.286 18.969 ( 0.790 -0.765 2.533) 2.762 18.974 ( -1.654 0.459 2.258) 2.837 19.084 ( 0.633 9.369 3.548) 10.038 19.345 ( 2.810 10.577 -9.824) 14.706 19.877 ( 1.946 -4.435 3.712) 6.102 20.048 ( -2.544 -5.085 -4.453) 7.222 25.795 ( 0.641 -1.129 -2.150) 2.512 25.801 ( -0.484 0.835 -2.524) 2.702 26.081 ( -0.465 -2.573 3.454) 4.332 26.183 ( 1.972 -1.556 -2.631) 3.638 26.519 ( -0.713 0.507 0.306) 0.927 26.552 ( 0.798 -1.206 -0.281) 1.473 26.591 ( 1.351 -0.242 1.022) 1.711 26.685 ( -0.256 -2.091 -1.552) 2.616 26.784 ( -0.240 4.924 0.617) 4.968 26.841 ( -0.299 6.105 -1.768) 6.363 26.916 ( -2.463 1.906 1.140) 3.316 26.949 ( 2.599 3.741 -0.543) 4.587 26.987 ( 2.299 5.198 2.261) 6.117 27.137 ( 0.446 1.016 2.474) 2.711 27.152 ( -8.723 3.052 -5.117) 10.564 27.242 ( -0.588 0.143 -1.674) 1.780 27.448 ( 0.473 -0.195 6.326) 6.347 27.585 ( -2.277 -1.688 0.848) 2.959 27.909 ( 3.631 0.136 7.726) 8.538 28.089 ( -2.179 -3.258 -1.911) 4.360 28.146 ( -8.653 2.347 3.303) 9.555 28.311 ( -1.742 3.802 8.913) 9.846 28.372 ( 0.912 -0.796 -7.609) 7.704 28.711 ( -1.595 -0.313 -6.056) 6.271 28.859 ( 8.244 -10.633 1.085) 13.498 29.097 ( -1.831 -5.366 -8.152) 9.930 29.867 ( 3.768 1.539 8.228) 9.180 30.078 ( -2.529 -5.109 -0.725) 5.747 30.361 ( -6.371 1.441 -1.907) 6.805 30.411 ( 3.636 -0.813 -3.000) 4.784 30.525 ( -1.457 0.443 -0.650) 1.656 30.542 ( 8.070 -0.157 -1.443) 8.199 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 10.180 19.263 10.631) 24.243 1.372 ( 11.344 14.533 17.014) 25.087 1.885 ( 7.506 5.569 -12.774) 15.829 2.064 ( 10.354 0.272 -8.454) 13.369 2.167 ( 1.099 -2.856 5.876) 6.625 2.330 ( 4.921 5.100 1.594) 7.264 2.388 ( 6.236 5.414 2.501) 8.629 2.445 ( -9.697 -2.096 5.895) 11.540 2.591 ( -3.238 -4.082 2.049) 5.599 2.649 ( -0.309 -4.345 -2.937) 5.254 2.681 ( -1.717 3.909 6.303) 7.613 2.824 ( -0.985 -5.366 -4.169) 6.866 2.871 ( 1.342 -3.101 -2.299) 4.087 2.982 ( 2.397 -0.075 2.230) 3.275 3.020 ( 1.116 1.195 -2.030) 2.606 3.089 ( -5.788 7.172 3.044) 9.706 3.112 ( -2.376 -1.098 -4.028) 4.803 3.204 ( -0.173 -7.399 -5.794) 9.399 3.329 ( -0.178 1.172 -1.778) 2.137 3.331 ( -5.808 -1.256 3.314) 6.804 3.445 ( 4.859 -3.215 -4.615) 7.433 3.595 ( 6.029 -4.211 -2.304) 7.706 3.663 ( 3.462 1.672 -5.940) 7.076 3.737 ( -3.934 6.701 2.536) 8.174 3.754 ( -11.727 0.042 3.102) 12.130 3.954 ( -0.358 1.432 2.845) 3.206 3.978 ( 2.535 -1.910 5.972) 6.763 4.193 ( -7.987 -0.062 3.276) 8.633 4.302 ( 4.912 -0.531 -2.951) 5.755 4.442 ( -2.378 2.454 -1.081) 3.584 4.456 ( -1.740 -0.683 2.836) 3.397 4.568 ( -0.558 6.073 -4.984) 7.876 4.650 ( 0.191 1.023 -0.039) 1.041 4.712 ( -0.080 6.682 -1.649) 6.883 4.831 ( -6.655 5.373 12.025) 14.756 5.006 ( 1.667 2.398 -4.837) 5.650 5.060 ( 6.086 -4.035 1.644) 7.485 5.167 ( -1.340 3.994 8.118) 9.146 5.267 ( -0.513 3.971 4.347) 5.910 5.413 ( -0.121 -1.881 -3.042) 3.578 5.433 ( 1.658 -1.731 0.237) 2.408 5.506 ( -0.689 -3.934 -8.082) 9.015 5.679 ( -0.556 -6.815 5.043) 8.496 5.798 ( -2.353 2.152 5.137) 6.046 5.896 ( -6.822 -4.649 -2.487) 8.622 5.916 ( -3.282 4.240 -1.795) 5.654 5.946 ( -1.733 3.018 1.692) 3.870 6.083 ( 0.867 -1.873 2.982) 3.627 6.212 ( -4.226 0.387 -1.151) 4.397 6.247 ( 2.833 -2.782 0.129) 3.972 6.278 ( 2.787 -2.450 -3.159) 4.873 6.407 ( 1.086 1.712 -1.643) 2.610 6.495 ( -3.592 -10.212 8.191) 13.575 6.708 ( -1.043 -7.052 2.069) 7.423 6.836 ( -1.281 0.391 1.944) 2.361 7.102 ( 1.688 5.275 -6.704) 8.695 7.170 ( 3.698 -3.153 -5.294) 7.186 7.246 ( -1.214 5.660 0.490) 5.809 7.298 ( 1.776 1.968 -3.964) 4.769 7.561 ( 3.173 2.365 -2.266) 4.560 7.884 ( 7.762 -5.176 -1.215) 9.409 7.932 ( 1.489 -5.574 -4.107) 7.082 8.154 ( 1.804 1.852 2.330) 3.480 8.267 ( 1.070 -0.353 3.749) 3.914 8.393 ( -1.307 6.595 -0.818) 6.773 8.636 ( -1.081 -1.054 -2.926) 3.293 8.705 ( 0.208 2.274 0.549) 2.348 8.830 ( 10.135 -4.732 -4.619) 12.102 9.318 ( 0.622 0.851 -0.338) 1.107 9.504 ( -4.443 1.483 -0.153) 4.686 9.556 ( 1.411 -2.299 -0.550) 2.753 9.605 ( -1.614 4.014 -1.595) 4.611 9.639 ( 0.316 -2.998 -0.025) 3.015 9.811 ( -1.069 -0.562 -3.123) 3.349 9.925 ( 0.745 -0.445 -3.277) 3.390 9.991 ( 0.674 -0.193 -2.350) 2.453 10.832 ( -0.824 0.720 -1.389) 1.768 10.883 ( 1.710 -0.061 1.260) 2.125 11.194 ( -4.467 0.214 0.232) 4.478 11.278 ( 1.390 -2.199 2.301) 3.473 11.515 ( -0.497 -2.331 5.455) 5.953 11.550 ( 1.491 -0.424 3.482) 3.812 11.629 ( 0.276 -4.332 -2.864) 5.200 11.699 ( -0.345 -3.470 -4.348) 5.574 12.414 ( -0.416 -0.213 0.539) 0.713 12.448 ( 0.332 -0.239 1.108) 1.181 12.655 ( -0.487 0.964 0.853) 1.376 12.694 ( 0.647 0.921 0.550) 1.253 13.109 ( -1.857 0.267 -0.123) 1.880 13.130 ( -1.756 0.882 -1.002) 2.205 13.308 ( 0.263 0.091 -1.797) 1.818 13.383 ( 2.596 -2.598 1.553) 3.988 14.205 ( -0.165 1.920 0.885) 2.121 14.246 ( -0.322 2.927 -1.602) 3.352 14.387 ( -1.857 -1.911 2.068) 3.373 14.490 ( 0.231 -2.150 -0.576) 2.238 14.739 ( -2.801 0.038 4.920) 5.661 14.906 ( -1.302 1.307 -0.668) 1.962 14.960 ( 0.964 -0.211 -1.075) 1.459 14.969 ( 0.360 -0.676 -0.439) 0.883 15.781 ( -1.054 0.457 1.883) 2.206 15.842 ( -0.687 0.834 0.830) 1.363 15.925 ( 1.151 2.249 2.039) 3.247 16.147 ( 3.788 -2.656 -4.551) 6.489 16.514 ( 1.360 0.165 1.870) 2.319 16.605 ( 0.720 -2.543 -0.576) 2.706 16.883 ( 1.616 4.662 0.608) 4.972 16.993 ( 1.329 0.047 -1.813) 2.248 17.329 ( 1.815 -2.340 0.410) 2.990 17.410 ( 2.195 -2.471 -0.150) 3.308 17.460 ( -4.142 -2.164 2.977) 5.541 17.563 ( -1.899 -2.260 1.387) 3.262 17.861 ( 1.177 5.765 4.653) 7.502 18.059 ( -2.351 4.476 -3.427) 6.108 18.173 ( 1.504 0.182 5.950) 6.140 18.317 ( 0.466 0.439 -3.881) 3.933 18.582 ( -0.055 -0.399 0.074) 0.410 18.740 ( 5.053 0.614 -1.668) 5.356 18.893 ( -6.757 5.537 1.635) 8.887 19.059 ( 6.271 -5.089 -0.745) 8.110 19.101 ( 2.316 4.451 2.678) 5.687 19.429 ( 5.771 7.115 -8.910) 12.780 19.849 ( -5.243 -5.935 2.612) 8.339 19.946 ( -6.652 -2.935 -3.065) 7.891 25.792 ( -0.221 -0.044 -2.396) 2.407 25.801 ( -0.120 -0.500 -2.025) 2.089 26.074 ( -0.259 -2.663 3.344) 4.283 26.215 ( 0.827 -2.589 -2.707) 3.836 26.499 ( -1.188 0.443 -0.112) 1.273 26.557 ( -0.271 -1.432 0.109) 1.461 26.603 ( -0.320 -0.162 0.630) 0.725 26.653 ( -2.457 -1.772 -2.524) 3.942 26.758 ( -2.314 5.636 1.972) 6.404 26.848 ( -4.384 4.450 0.568) 6.272 26.850 ( 0.598 5.551 -0.855) 5.649 26.951 ( -2.257 0.514 -0.733) 2.428 27.021 ( -0.709 6.340 -0.620) 6.410 27.028 ( 1.175 3.378 3.625) 5.092 27.160 ( 1.647 1.043 2.609) 3.257 27.249 ( 1.058 -0.058 -1.602) 1.921 27.454 ( -0.082 -1.414 5.448) 5.629 27.551 ( -0.490 -0.598 2.706) 2.814 27.911 ( -6.366 3.027 6.338) 9.479 27.986 ( -0.662 3.664 8.113) 8.927 28.055 ( -1.647 -3.489 -0.987) 3.982 28.344 ( 1.923 2.382 0.402) 3.087 28.412 ( 3.711 2.710 -1.173) 4.742 28.677 ( -2.464 -1.302 -3.010) 4.102 28.996 ( 1.824 -7.779 -7.834) 11.190 29.034 ( -0.193 -8.593 -3.790) 9.394 29.846 ( -6.485 0.261 4.146) 7.701 29.927 ( -8.721 -0.234 2.327) 9.029 30.282 ( 0.282 1.309 1.656) 2.129 30.454 ( 4.875 -1.508 -2.135) 5.532 30.583 ( 5.409 1.315 -1.161) 5.686 30.867 ( 14.794 -5.895 -8.911) 18.249 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 16.696 13.200 -0.057) 21.284 1.596 ( 9.243 14.786 6.080) 18.467 1.991 ( 2.973 -1.387 -14.105) 14.482 2.089 ( -16.195 4.338 5.163) 17.543 2.184 ( 2.597 -5.947 -3.535) 7.390 2.232 ( -0.461 -5.247 -0.238) 5.273 2.402 ( -0.676 -3.290 -2.423) 4.142 2.429 ( -4.901 -0.091 3.003) 5.749 2.605 ( 0.771 -4.029 -1.001) 4.222 2.645 ( -2.333 -1.449 -1.980) 3.386 2.727 ( 1.016 3.565 5.203) 6.389 2.807 ( 8.629 1.689 -3.826) 9.590 2.899 ( 5.853 3.066 -1.135) 6.704 2.920 ( -5.920 5.614 -3.836) 9.015 3.012 ( -0.889 3.037 3.589) 4.785 3.074 ( 1.059 3.594 8.009) 8.842 3.107 ( -1.135 -0.204 4.161) 4.318 3.222 ( 3.076 3.744 0.128) 4.847 3.316 ( 3.112 -3.697 -6.289) 7.931 3.414 ( 2.936 -0.506 -1.425) 3.303 3.482 ( 2.179 6.426 3.493) 7.632 3.554 ( -0.578 0.524 -2.330) 2.457 3.620 ( -0.462 -1.153 -7.169) 7.276 3.761 ( 5.072 1.727 1.037) 5.457 3.804 ( 6.153 -4.772 0.165) 7.789 3.888 ( -8.883 -2.000 1.993) 9.321 3.990 ( 2.330 -1.395 -0.718) 2.809 4.113 ( -5.293 -0.416 4.586) 7.015 4.310 ( -5.763 6.795 2.650) 9.295 4.319 ( -4.192 -2.934 2.325) 5.621 4.401 ( -2.589 -6.444 5.241) 8.700 4.592 ( -1.498 1.367 0.832) 2.192 4.651 ( 2.927 2.281 -2.930) 4.728 4.696 ( -3.853 6.756 5.880) 9.750 4.774 ( 2.590 8.534 -4.266) 9.886 5.004 ( -2.966 2.272 -3.086) 4.845 5.040 ( -6.593 3.740 5.789) 9.537 5.196 ( 4.966 -3.899 -1.869) 6.585 5.336 ( 6.206 1.826 4.388) 7.817 5.402 ( -1.551 -0.614 2.821) 3.278 5.459 ( 1.263 -1.950 -2.005) 3.069 5.490 ( -1.538 -2.568 -5.579) 6.332 5.668 ( -1.432 -2.046 2.932) 3.851 5.687 ( -7.723 -0.893 4.395) 8.931 5.768 ( 0.422 -1.649 1.357) 2.177 5.893 ( 0.701 -0.253 3.570) 3.647 5.955 ( -1.257 0.503 5.985) 6.136 6.066 ( -6.198 1.545 -4.565) 7.851 6.092 ( -0.564 1.543 1.554) 2.261 6.229 ( -2.447 -7.288 3.277) 8.357 6.362 ( 3.756 -0.449 -8.110) 8.948 6.402 ( -2.237 -6.100 10.762) 12.571 6.497 ( 2.768 -2.500 -5.969) 7.039 6.679 ( -1.747 -8.898 -3.914) 9.876 6.862 ( 3.076 3.428 3.959) 6.073 7.077 ( -3.418 5.134 1.079) 6.261 7.196 ( 0.947 0.094 -4.198) 4.305 7.278 ( 2.476 6.013 -6.720) 9.351 7.381 ( 4.316 -2.699 0.753) 5.146 7.589 ( 0.040 1.685 -0.811) 1.871 8.011 ( 5.596 -3.883 -2.138) 7.139 8.056 ( 7.881 -5.585 -3.410) 10.244 8.209 ( 2.798 0.337 2.584) 3.824 8.294 ( 1.825 -1.129 3.670) 4.252 8.399 ( 2.663 6.766 -2.093) 7.566 8.573 ( -4.449 0.360 -4.120) 6.075 8.687 ( -1.797 3.655 2.894) 4.996 8.962 ( 1.511 -5.469 -7.223) 9.185 9.350 ( 2.504 0.312 -2.079) 3.269 9.385 ( -5.821 2.575 2.032) 6.682 9.540 ( -0.980 0.001 1.898) 2.136 9.593 ( -0.591 1.139 0.256) 1.308 9.675 ( 1.458 -1.235 -3.998) 4.431 9.780 ( -1.423 -1.101 -4.573) 4.914 9.936 ( 0.456 -0.901 -1.494) 1.803 9.997 ( 0.144 -0.372 -2.572) 2.603 10.861 ( 3.109 0.655 -2.225) 3.879 10.901 ( -0.211 0.270 1.416) 1.457 11.121 ( -2.158 0.136 1.468) 2.614 11.261 ( -2.807 -3.247 0.419) 4.312 11.514 ( 0.194 -2.457 5.574) 6.095 11.577 ( 1.022 -0.220 4.065) 4.197 11.655 ( 1.959 -4.064 -2.707) 5.262 11.700 ( 0.443 -3.788 -3.942) 5.485 12.418 ( 0.828 0.423 0.284) 0.972 12.447 ( -0.539 -0.126 1.347) 1.456 12.649 ( -0.115 0.867 0.954) 1.294 12.693 ( -0.811 1.035 0.734) 1.505 13.070 ( -2.204 0.006 -0.408) 2.242 13.089 ( -1.333 0.008 -1.945) 2.358 13.340 ( 2.430 -0.559 -0.390) 2.524 13.408 ( -0.202 -2.861 1.822) 3.398 14.199 ( -0.162 0.570 0.466) 0.754 14.244 ( -0.246 2.028 -1.330) 2.438 14.363 ( -0.277 -0.963 2.684) 2.865 14.489 ( -0.245 -2.126 -0.551) 2.210 14.700 ( -0.973 2.939 5.134) 5.995 14.887 ( -0.390 1.872 -1.053) 2.183 14.955 ( -1.210 -1.482 1.804) 2.629 14.991 ( 1.019 -0.589 -2.092) 2.401 15.760 ( -0.912 0.439 2.425) 2.628 15.835 ( -0.070 1.229 0.972) 1.569 15.949 ( 1.014 3.128 2.340) 4.036 16.205 ( 1.801 -2.150 -5.886) 6.520 16.556 ( 2.456 -0.128 0.994) 2.653 16.618 ( 0.420 -2.290 -0.085) 2.329 16.924 ( 2.291 4.387 0.294) 4.958 17.003 ( -0.078 0.558 -1.055) 1.196 17.365 ( 0.978 -3.653 1.086) 3.934 17.409 ( -0.163 -2.276 0.361) 2.310 17.447 ( 1.069 -0.954 2.492) 2.875 17.529 ( -1.477 -2.585 0.970) 3.132 17.888 ( 1.030 5.844 2.570) 6.466 18.010 ( -1.888 4.908 -2.859) 5.986 18.197 ( 0.395 1.183 6.654) 6.770 18.345 ( 2.442 0.268 -3.141) 3.988 18.558 ( -1.147 2.035 -2.134) 3.164 18.732 ( -7.984 8.063 -1.131) 11.404 18.887 ( 8.161 -1.251 1.234) 8.348 19.103 ( 1.219 4.162 1.233) 4.508 19.205 ( 4.293 -6.258 -0.135) 7.591 19.561 ( 5.806 1.049 -6.636) 8.880 19.688 ( -8.251 -6.242 -2.380) 10.616 19.807 ( -7.450 -2.426 0.951) 7.893 25.785 ( -0.559 -0.686 -1.404) 1.660 25.800 ( 0.309 0.559 -2.624) 2.700 26.075 ( 0.314 -3.455 3.805) 5.149 26.208 ( -1.258 -3.376 -0.587) 3.650 26.482 ( -0.213 0.013 0.275) 0.347 26.543 ( -1.068 -1.482 0.401) 1.870 26.580 ( -1.620 0.500 -0.039) 1.695 26.611 ( -1.290 -0.660 -2.103) 2.554 26.727 ( -0.410 6.609 1.781) 6.857 26.755 ( -3.880 4.492 1.347) 6.087 26.854 ( -0.460 3.283 0.503) 3.353 26.951 ( 0.957 0.543 -4.371) 4.507 27.029 ( -0.476 3.847 2.409) 4.564 27.043 ( 2.025 3.818 -0.448) 4.345 27.192 ( 1.214 1.199 3.084) 3.524 27.279 ( 1.766 0.023 -1.299) 2.193 27.466 ( 1.438 -0.803 5.008) 5.271 27.560 ( 0.774 1.588 2.808) 3.317 27.835 ( -0.919 2.793 9.073) 9.537 27.956 ( -2.374 2.291 5.209) 6.166 28.027 ( -1.607 -1.423 -0.866) 2.314 28.359 ( -0.694 -2.914 -4.356) 5.287 28.502 ( 3.932 2.535 0.178) 4.681 28.629 ( -0.801 -0.305 -0.545) 1.016 28.935 ( -2.374 -5.189 -6.762) 8.848 29.104 ( 2.317 -3.663 -6.099) 7.483 29.699 ( -6.935 -2.286 4.240) 8.444 29.766 ( -6.691 -1.945 0.671) 7.000 30.334 ( 3.352 2.123 4.781) 6.213 30.581 ( 6.608 -1.103 -3.346) 7.488 30.698 ( 5.471 1.089 -0.902) 5.651 31.039 ( 3.157 -5.671 -8.879) 10.998 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -10.318 8.015 -0.768) 13.088 1.688 ( -0.350 8.784 -6.792) 11.110 1.853 ( 5.439 -0.327 2.953) 6.198 2.003 ( -2.661 2.592 -5.181) 6.375 2.211 ( 2.468 -5.685 -0.442) 6.213 2.267 ( -5.555 -0.805 -2.166) 6.016 2.329 ( 7.265 -0.579 3.402) 8.043 2.419 ( -0.050 -3.756 1.405) 4.011 2.601 ( 0.418 1.288 3.425) 3.683 2.633 ( -0.404 0.032 -2.391) 2.425 2.719 ( 0.749 5.315 -3.976) 6.680 2.802 ( -3.997 4.752 1.667) 6.430 2.905 ( -7.414 5.182 -3.559) 9.721 2.927 ( 2.415 -6.489 -2.106) 7.237 3.007 ( 2.988 -0.844 3.633) 4.779 3.062 ( 0.542 -0.615 2.764) 2.883 3.205 ( 2.588 1.849 -4.789) 5.749 3.275 ( -1.408 2.462 -1.474) 3.197 3.344 ( -0.917 2.196 -4.152) 4.786 3.451 ( 8.180 7.455 1.323) 11.146 3.562 ( 3.188 1.412 -0.149) 3.490 3.597 ( 0.702 -1.884 -5.815) 6.153 3.656 ( -8.486 -3.036 0.013) 9.013 3.768 ( -4.970 3.104 8.096) 9.995 3.820 ( -4.321 -1.249 4.104) 6.088 3.881 ( 10.674 2.401 -0.312) 10.945 3.968 ( 4.816 0.985 -4.263) 6.507 4.082 ( 3.278 -4.421 -2.051) 5.873 4.215 ( -1.947 4.571 5.618) 7.500 4.247 ( -0.719 -3.058 4.680) 5.636 4.409 ( -2.247 -3.901 9.427) 10.446 4.470 ( -2.887 -0.458 6.315) 6.959 4.654 ( -2.119 8.204 2.247) 8.766 4.730 ( 1.918 5.009 -1.023) 5.460 4.831 ( 3.773 5.055 -6.534) 9.082 4.905 ( -6.565 2.918 -3.706) 8.084 4.982 ( 2.361 0.478 3.615) 4.344 5.249 ( -1.114 -5.050 1.426) 5.365 5.293 ( -9.097 -0.185 6.329) 11.083 5.428 ( 2.404 0.801 -3.561) 4.371 5.459 ( 0.003 -0.510 0.728) 0.889 5.537 ( 5.042 -2.951 -5.007) 7.694 5.604 ( -1.686 0.411 2.740) 3.243 5.661 ( 1.626 3.250 6.189) 7.177 5.817 ( 3.789 -1.337 -1.148) 4.178 5.892 ( -1.614 -3.371 -2.082) 4.278 5.965 ( 4.779 -0.969 7.658) 9.079 5.984 ( -2.461 2.022 6.370) 7.121 6.092 ( -0.415 0.929 -1.666) 1.952 6.210 ( 0.638 -6.400 2.798) 7.014 6.358 ( -2.779 -6.057 6.216) 9.113 6.415 ( 2.425 -0.845 -4.531) 5.208 6.482 ( -4.254 -1.272 -6.007) 7.470 6.700 ( 4.628 -8.257 -11.098) 14.586 6.919 ( 1.932 2.455 5.934) 6.706 7.006 ( -3.614 3.047 4.111) 6.265 7.189 ( -2.287 2.234 -5.540) 6.396 7.309 ( 1.404 1.646 -5.705) 6.101 7.433 ( 0.347 -2.127 3.279) 3.924 7.579 ( -1.107 1.219 -1.876) 2.496 8.082 ( 0.524 -4.407 -1.028) 4.555 8.129 ( -0.866 -3.109 -2.880) 4.325 8.288 ( 6.021 0.126 2.349) 6.464 8.336 ( 1.689 0.458 3.380) 3.806 8.422 ( -3.833 2.438 -3.007) 5.448 8.539 ( 3.051 2.074 -7.683) 8.523 8.649 ( -1.890 4.302 5.304) 7.086 8.902 ( -5.431 -2.822 -5.140) 7.992 9.314 ( -0.815 1.902 1.083) 2.336 9.417 ( 4.162 0.404 -2.586) 4.916 9.535 ( -0.100 1.716 4.115) 4.459 9.596 ( 1.033 0.202 -0.065) 1.054 9.662 ( -2.050 1.264 -3.940) 4.618 9.758 ( -0.855 -1.117 -5.483) 5.660 9.937 ( -0.760 -1.598 0.140) 1.775 9.997 ( 0.020 -2.343 -3.446) 4.167 10.871 ( -2.439 1.044 0.530) 2.706 10.930 ( 3.451 -0.380 -2.403) 4.222 11.128 ( 2.486 -1.135 3.078) 4.116 11.194 ( -3.208 -2.689 -0.861) 4.273 11.518 ( -0.061 -1.935 5.300) 5.643 11.586 ( -0.371 -0.272 3.342) 3.374 11.685 ( 0.762 -3.645 -2.042) 4.247 11.714 ( 1.179 -4.384 -3.913) 5.994 12.426 ( -0.989 -0.046 0.973) 1.388 12.446 ( 1.278 -0.031 0.378) 1.333 12.649 ( -0.169 0.761 1.552) 1.737 12.672 ( -0.747 1.098 0.781) 1.541 13.030 ( -1.093 0.674 -0.220) 1.302 13.091 ( 1.100 -0.750 -2.739) 3.045 13.375 ( -2.126 -1.777 1.750) 3.277 13.387 ( 1.103 -1.675 1.372) 2.430 14.205 ( 0.668 0.159 0.330) 0.761 14.230 ( -0.797 0.620 -1.296) 1.643 14.382 ( 1.851 0.130 2.771) 3.335 14.484 ( -0.256 -1.587 -1.809) 2.420 14.711 ( 2.102 2.773 6.115) 7.036 14.877 ( -0.924 1.168 -2.443) 2.862 14.928 ( -1.171 -1.211 2.100) 2.692 15.002 ( 0.308 -0.487 -1.815) 1.904 15.745 ( -0.794 0.636 2.848) 3.024 15.838 ( 0.376 1.344 0.808) 1.613 15.963 ( 0.292 3.162 3.282) 4.567 16.208 ( -1.252 -1.326 -6.472) 6.724 16.594 ( 0.942 -1.003 0.735) 1.560 16.618 ( -0.314 -2.389 -0.462) 2.454 16.960 ( 0.889 3.447 0.460) 3.589 16.996 ( -0.556 1.505 -1.430) 2.149 17.362 ( -0.677 -2.913 2.317) 3.783 17.437 ( 1.780 -4.172 -1.896) 4.916 17.466 ( 0.859 -0.011 2.417) 2.565 17.496 ( -1.841 -2.000 2.401) 3.627 17.880 ( -1.815 6.120 2.585) 6.887 18.002 ( 0.922 4.987 -2.860) 5.822 18.185 ( -1.617 0.875 6.025) 6.299 18.413 ( 4.117 1.569 -0.765) 4.472 18.516 ( -4.257 3.438 -2.035) 5.838 18.661 ( 2.879 6.318 -5.274) 8.719 18.995 ( 1.745 -3.512 4.292) 5.814 19.136 ( 0.398 2.066 -2.321) 3.132 19.257 ( 0.965 -1.506 5.201) 5.500 19.442 ( -8.664 -1.165 -5.828) 10.507 19.663 ( -5.994 -3.086 0.177) 6.744 19.763 ( 8.574 -5.077 -3.592) 10.592 25.774 ( -0.445 -0.120 -1.154) 1.243 25.809 ( 0.560 0.405 -2.849) 2.932 26.085 ( 0.449 -4.221 4.484) 6.174 26.177 ( -1.609 -3.318 0.383) 3.707 26.493 ( 0.979 -0.209 0.531) 1.133 26.522 ( -0.673 -0.876 0.240) 1.131 26.552 ( -1.078 0.781 -0.685) 1.497 26.604 ( 0.580 -0.971 -1.198) 1.648 26.706 ( -0.707 4.100 1.645) 4.474 26.745 ( 1.858 7.138 -0.137) 7.377 26.840 ( -0.500 1.759 0.959) 2.065 26.952 ( -0.829 2.407 -3.247) 4.126 27.016 ( -0.600 4.580 1.156) 4.762 27.107 ( 3.891 0.624 -2.896) 4.891 27.202 ( -0.378 1.357 3.590) 3.856 27.305 ( 0.650 0.644 -1.450) 1.715 27.506 ( 1.989 0.060 4.551) 4.967 27.572 ( 0.328 2.451 1.771) 3.042 27.875 ( 4.219 -0.679 9.400) 10.326 27.904 ( -2.645 4.272 6.944) 8.571 28.007 ( 0.070 -0.944 -1.472) 1.750 28.326 ( -1.633 -4.874 -6.771) 8.501 28.540 ( 0.530 -1.394 -0.193) 1.504 28.641 ( 0.473 -1.003 -2.023) 2.307 28.936 ( 2.513 1.231 -2.524) 3.769 29.101 ( -2.182 -0.784 -9.579) 9.856 29.599 ( -2.695 -3.051 5.969) 7.225 29.686 ( -1.361 -4.921 1.159) 5.236 30.385 ( 1.383 2.565 4.907) 5.706 30.676 ( 2.493 -1.684 -4.873) 5.727 30.776 ( 1.986 0.214 -0.698) 2.116 31.013 ( -4.933 -3.654 -6.954) 9.276 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -14.048 11.288 12.277) 21.806 1.695 ( 1.661 6.164 -15.707) 16.955 1.737 ( -15.214 9.017 11.102) 20.881 2.118 ( 7.554 -7.000 -8.303) 13.228 2.212 ( -2.269 -3.687 2.317) 4.911 2.267 ( 3.823 -3.226 0.532) 5.031 2.415 ( 0.795 -2.890 1.163) 3.215 2.468 ( 3.375 -1.062 0.605) 3.590 2.584 ( -2.795 -3.661 -2.954) 5.471 2.667 ( -2.809 3.888 -2.000) 5.196 2.714 ( 4.744 4.698 2.260) 7.048 2.801 ( 4.323 4.203 -1.991) 6.350 2.855 ( 1.922 4.121 1.433) 4.768 2.895 ( -6.225 0.431 0.059) 6.240 3.014 ( -7.691 1.039 0.744) 7.797 3.039 ( -9.603 -0.473 -1.047) 9.672 3.073 ( 1.426 0.883 -0.148) 1.683 3.214 ( -3.795 2.633 2.270) 5.147 3.376 ( 3.513 3.005 -1.094) 4.751 3.454 ( -2.274 0.455 -1.008) 2.528 3.519 ( -1.960 2.687 3.991) 5.195 3.553 ( -3.446 -2.630 0.075) 4.336 3.657 ( -1.573 2.316 0.611) 2.866 3.752 ( 1.819 -3.629 -3.396) 5.293 3.767 ( 2.993 1.290 -7.128) 7.837 3.976 ( 5.289 -1.955 -0.225) 5.644 4.077 ( 1.576 -0.928 1.499) 2.365 4.200 ( 0.897 -4.818 4.734) 6.814 4.262 ( 2.495 -2.292 0.994) 3.531 4.338 ( 9.011 -0.554 -2.859) 9.470 4.417 ( 9.435 2.877 5.727) 11.406 4.477 ( -1.100 4.310 2.532) 5.118 4.603 ( -0.273 8.155 8.003) 11.429 4.716 ( -2.931 7.528 -1.551) 8.226 4.827 ( -0.388 -2.407 -0.969) 2.624 4.917 ( 3.947 3.164 -7.032) 8.662 5.032 ( -0.120 0.778 2.606) 2.722 5.113 ( -7.628 1.368 6.666) 10.222 5.214 ( 0.707 1.435 5.300) 5.537 5.385 ( -5.640 0.635 2.854) 6.353 5.471 ( 0.858 -4.379 -5.278) 6.912 5.626 ( 3.346 1.942 1.056) 4.011 5.642 ( 4.590 -4.853 -2.738) 7.219 5.708 ( 2.705 4.804 7.702) 9.472 5.872 ( 0.571 -1.519 0.946) 1.878 5.929 ( 4.691 -1.948 -4.945) 7.089 5.968 ( 0.789 4.765 2.124) 5.276 6.063 ( 4.896 -0.146 2.887) 5.685 6.069 ( -2.174 -5.792 -0.694) 6.226 6.212 ( -2.228 -0.107 5.975) 6.378 6.276 ( -4.539 -2.830 -1.716) 5.617 6.420 ( -0.309 -1.199 -4.064) 4.248 6.473 ( 3.191 -6.605 4.727) 8.727 6.818 ( 6.927 -7.429 -10.789) 14.818 6.924 ( -2.115 -2.428 3.855) 5.022 6.957 ( -0.548 4.642 5.270) 7.044 7.105 ( -4.877 4.056 -6.352) 8.976 7.335 ( 0.703 -1.706 -4.941) 5.274 7.398 ( -3.717 -0.154 5.455) 6.602 7.531 ( -3.226 -0.301 -4.050) 5.186 8.011 ( -6.467 -3.631 -1.486) 7.564 8.098 ( -2.100 -1.246 -3.510) 4.276 8.314 ( -3.718 1.813 0.395) 4.155 8.350 ( -1.492 1.346 0.250) 2.025 8.415 ( 3.824 0.514 1.953) 4.325 8.541 ( -2.682 -1.647 -8.957) 9.494 8.624 ( -0.234 4.324 6.261) 7.612 8.821 ( -2.532 0.627 -3.233) 4.154 9.340 ( 2.310 -0.166 -1.267) 2.639 9.491 ( 1.778 1.226 0.149) 2.165 9.535 ( 0.344 1.918 2.621) 3.266 9.619 ( 0.352 2.296 -2.163) 3.174 9.635 ( 1.517 -0.043 -1.897) 2.429 9.740 ( -0.820 0.103 -4.131) 4.213 9.908 ( -1.584 -2.027 -0.664) 2.657 9.994 ( -0.357 -3.361 -2.382) 4.135 10.824 ( -1.796 1.561 -0.357) 2.406 10.982 ( 1.392 -2.075 -2.625) 3.624 11.147 ( -0.523 -1.497 -0.092) 1.589 11.207 ( 4.246 -2.352 3.340) 5.892 11.514 ( -0.400 -1.055 4.869) 4.998 11.564 ( -1.728 0.245 1.959) 2.624 11.686 ( -0.365 -3.709 -2.480) 4.477 11.733 ( 0.472 -4.104 -3.957) 5.721 12.404 ( -0.976 -0.031 0.768) 1.242 12.470 ( 0.905 -1.267 0.609) 1.672 12.643 ( -0.028 1.371 0.930) 1.657 12.671 ( 0.241 0.457 1.741) 1.816 13.037 ( 1.702 0.838 -0.035) 1.897 13.123 ( 2.101 -0.770 -2.259) 3.179 13.313 ( -3.153 -0.062 0.979) 3.302 13.402 ( -0.226 -2.307 2.168) 3.174 14.204 ( -0.509 1.419 -0.545) 1.603 14.237 ( 1.237 0.340 -0.351) 1.331 14.421 ( 1.703 -0.165 2.174) 2.767 14.480 ( -0.072 -1.181 -2.722) 2.968 14.781 ( 3.891 -0.070 6.075) 7.215 14.856 ( -0.286 0.697 -2.157) 2.285 14.914 ( -0.412 -0.491 0.938) 1.136 15.009 ( 0.612 -1.042 -0.993) 1.564 15.729 ( -0.708 1.366 2.828) 3.219 15.848 ( 0.544 1.045 0.550) 1.300 15.961 ( -0.640 2.419 3.997) 4.716 16.161 ( -3.017 -0.677 -5.998) 6.748 16.584 ( -1.787 -1.789 1.243) 2.818 16.611 ( -0.417 -2.733 -1.329) 3.068 16.946 ( -2.105 2.259 0.246) 3.097 16.982 ( -1.019 2.657 -1.132) 3.063 17.347 ( -0.803 -2.455 1.984) 3.257 17.410 ( -3.650 -3.861 1.286) 5.466 17.495 ( 2.564 -0.771 -1.116) 2.901 17.512 ( 2.638 -1.399 2.924) 4.179 17.841 ( -1.774 6.212 2.824) 7.051 18.025 ( 1.284 5.459 -2.623) 6.191 18.151 ( -1.569 -0.295 5.144) 5.386 18.423 ( -3.136 5.343 -0.555) 6.220 18.506 ( 3.533 -2.555 -2.599) 5.076 18.777 ( 6.794 5.063 -2.210) 8.756 18.985 ( -3.245 4.185 -1.608) 5.535 19.036 ( -7.737 -7.984 0.254) 11.121 19.191 ( -5.589 0.702 4.694) 7.332 19.369 ( -2.097 7.772 -1.385) 8.168 19.648 ( 5.197 -4.591 -1.012) 7.008 19.924 ( 7.282 -6.101 -2.862) 9.922 25.770 ( 0.148 0.149 -1.419) 1.435 25.816 ( 0.139 0.443 -2.778) 2.816 26.091 ( -0.004 -4.094 4.760) 6.278 26.153 ( -0.697 -2.714 0.058) 2.803 26.505 ( 0.523 -0.177 0.897) 1.053 26.527 ( 0.614 -0.454 -0.229) 0.797 26.542 ( 0.208 0.669 -0.638) 0.947 26.627 ( 1.664 -1.539 -0.469) 2.315 26.727 ( 2.416 4.107 1.185) 4.910 26.793 ( 2.832 7.085 -0.272) 7.635 26.851 ( 1.780 1.801 0.519) 2.585 26.924 ( -1.731 3.234 -2.740) 4.579 27.005 ( -0.665 5.074 0.350) 5.129 27.174 ( 0.227 0.375 1.737) 1.792 27.187 ( 1.303 -0.479 -0.862) 1.634 27.305 ( -0.402 1.173 -2.428) 2.726 27.521 ( -1.347 1.168 2.825) 3.340 27.582 ( 1.163 1.478 1.326) 2.301 27.850 ( -1.647 4.314 4.798) 6.659 28.017 ( 8.067 -0.800 11.752) 14.276 28.030 ( 2.394 -1.414 -1.519) 3.169 28.311 ( 0.408 -4.527 -7.361) 8.652 28.531 ( -1.115 -3.426 0.896) 3.712 28.634 ( -1.005 -6.275 -1.840) 6.616 28.970 ( -2.405 2.836 -5.843) 6.926 29.054 ( 0.411 1.897 -7.612) 7.856 29.623 ( 5.582 -2.240 6.924) 9.171 29.703 ( 2.860 -3.553 4.229) 6.220 30.390 ( -0.733 2.002 3.158) 3.810 30.662 ( -3.981 -3.027 -5.820) 7.674 30.759 ( -4.033 -0.617 -1.482) 4.341 30.864 ( -9.217 -1.576 -5.151) 10.675 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.869 15.188 20.402) 25.727 1.401 ( -16.663 10.102 17.653) 26.293 1.733 ( 0.130 7.459 -17.748) 19.252 2.023 ( -12.032 3.247 1.071) 12.508 2.237 ( 2.713 -6.222 -2.506) 7.235 2.313 ( 0.448 -2.941 5.742) 6.467 2.416 ( -2.570 3.226 0.631) 4.173 2.468 ( -3.729 -0.403 1.754) 4.141 2.565 ( 2.524 -2.999 -2.867) 4.856 2.623 ( -2.193 7.782 10.449) 13.212 2.642 ( -3.875 -1.752 -0.774) 4.322 2.797 ( 4.038 0.994 -4.934) 6.452 2.889 ( 0.053 -3.323 -3.800) 5.048 2.898 ( -1.331 -3.914 2.634) 4.902 2.988 ( 6.923 -0.520 3.162) 7.629 3.048 ( -2.204 1.845 -2.091) 3.555 3.087 ( 9.795 0.904 -3.775) 10.536 3.206 ( 0.394 -2.564 0.795) 2.713 3.368 ( -4.947 -4.494 0.549) 6.706 3.412 ( -2.271 -0.348 -2.650) 3.507 3.495 ( -1.244 1.535 -3.176) 3.740 3.560 ( 5.720 8.561 4.005) 11.047 3.670 ( -6.840 -1.373 -5.632) 8.966 3.690 ( 3.959 0.350 -1.983) 4.442 3.862 ( 5.589 -2.252 -2.391) 6.483 4.025 ( -1.972 -0.223 2.022) 2.833 4.108 ( -1.209 -1.799 5.273) 5.702 4.168 ( -3.620 -0.217 -0.318) 3.641 4.330 ( 3.973 -0.955 2.806) 4.957 4.423 ( -0.480 5.374 -5.973) 8.049 4.512 ( 2.295 2.388 6.150) 6.985 4.527 ( 7.681 1.006 -7.436) 10.738 4.661 ( -3.774 5.351 1.603) 6.741 4.673 ( 1.763 2.891 2.886) 4.449 4.862 ( 4.172 -1.659 -0.572) 4.526 4.982 ( 2.706 2.218 -0.151) 3.501 4.995 ( -3.567 -1.856 6.497) 7.641 5.038 ( 2.568 6.445 7.402) 10.144 5.275 ( -2.364 3.647 2.369) 4.949 5.297 ( 3.260 2.816 1.712) 4.636 5.474 ( -0.225 -3.376 -4.021) 5.255 5.662 ( -2.337 -6.755 -5.016) 8.733 5.679 ( 1.321 0.229 4.805) 4.989 5.818 ( 5.276 1.256 4.638) 7.136 5.845 ( -1.578 -0.461 2.706) 3.166 5.956 ( -0.450 0.990 -3.586) 3.747 6.022 ( 1.998 -0.712 -2.707) 3.439 6.056 ( 2.942 -1.237 -3.085) 4.439 6.110 ( -5.933 1.483 4.368) 7.515 6.166 ( 4.978 1.008 -2.603) 5.708 6.243 ( 0.817 4.084 4.957) 6.474 6.422 ( -0.970 -0.505 -5.131) 5.247 6.537 ( 2.758 -11.884 10.959) 16.400 6.848 ( -5.046 -6.457 2.514) 8.571 6.951 ( 3.774 -0.917 2.249) 4.488 6.974 ( 2.939 -5.028 -8.011) 9.904 7.041 ( -0.222 4.303 -6.253) 7.594 7.297 ( -5.689 -1.660 -5.399) 8.016 7.329 ( -0.424 4.737 1.797) 5.084 7.490 ( -0.338 -1.777 -1.431) 2.307 7.875 ( -6.603 -3.094 -2.805) 7.813 8.034 ( -3.594 -1.337 -5.210) 6.469 8.253 ( -3.652 0.620 2.250) 4.334 8.269 ( -4.555 1.099 -0.015) 4.686 8.431 ( -1.132 1.228 3.552) 3.925 8.525 ( 1.116 0.586 -6.048) 6.178 8.649 ( 1.969 3.038 3.286) 4.889 8.761 ( -3.352 1.374 -0.758) 3.701 9.377 ( 1.220 -2.047 -1.882) 3.037 9.441 ( -3.937 -0.423 -0.505) 3.992 9.580 ( 2.119 2.129 2.290) 3.778 9.625 ( 0.987 2.388 -1.402) 2.940 9.688 ( 0.533 4.209 -0.126) 4.245 9.743 ( 2.630 -0.384 -5.564) 6.167 9.893 ( 0.261 -3.022 -0.146) 3.037 9.982 ( -0.740 -2.967 -2.349) 3.856 10.810 ( 0.536 1.407 -0.685) 1.654 10.971 ( -2.385 -3.099 -3.278) 5.103 11.166 ( 2.055 -0.649 1.625) 2.699 11.281 ( 2.324 -2.816 2.343) 4.338 11.507 ( -0.372 -0.442 4.457) 4.494 11.531 ( -1.036 0.342 1.730) 2.045 11.672 ( -1.028 -3.468 -2.693) 4.510 11.730 ( -0.549 -4.049 -4.348) 5.967 12.395 ( 0.188 -0.284 1.099) 1.151 12.476 ( -0.362 -2.043 0.095) 2.077 12.652 ( 0.837 1.378 0.774) 1.789 12.673 ( -0.150 0.647 1.540) 1.677 13.082 ( 2.311 0.344 0.248) 2.349 13.167 ( 1.888 -0.489 -1.761) 2.627 13.275 ( -0.103 1.089 0.335) 1.144 13.377 ( -2.244 -1.723 1.674) 3.287 14.199 ( -0.027 2.505 -0.078) 2.506 14.258 ( 0.661 1.472 -1.056) 1.928 14.440 ( -0.004 -0.858 1.699) 1.904 14.478 ( 0.010 -1.523 -2.265) 2.729 14.811 ( -0.262 -2.252 3.913) 4.523 14.877 ( 0.580 -0.636 -0.693) 1.105 14.924 ( 1.640 0.280 -1.339) 2.135 15.032 ( 1.141 -2.713 -1.771) 3.435 15.734 ( 1.513 1.984 3.445) 4.254 15.857 ( 0.276 0.805 0.034) 0.851 15.940 ( -1.486 1.274 4.046) 4.495 16.102 ( -2.350 -0.785 -4.945) 5.531 16.538 ( -2.424 -1.371 1.997) 3.427 16.603 ( -0.292 -3.118 -1.871) 3.648 16.896 ( -2.411 2.167 1.011) 3.395 16.954 ( -1.291 2.579 -1.541) 3.270 17.334 ( -0.889 -1.285 2.206) 2.703 17.353 ( -1.289 -2.683 0.434) 3.008 17.549 ( 2.403 -1.504 0.162) 2.840 17.571 ( 2.427 -3.895 1.814) 4.935 17.818 ( -0.414 6.886 5.397) 8.759 18.053 ( 1.660 4.272 -3.398) 5.705 18.131 ( -0.429 -0.810 4.874) 4.960 18.369 ( -2.295 1.862 -3.450) 4.542 18.554 ( 1.168 -1.454 2.050) 2.772 18.761 ( -8.677 1.632 -3.231) 9.402 18.933 ( 2.892 1.587 0.336) 3.315 19.004 ( 0.521 -0.041 1.475) 1.565 19.088 ( -3.610 4.847 4.945) 7.809 19.330 ( -0.977 9.940 -5.735) 11.517 19.785 ( 6.725 -3.958 1.878) 8.026 20.036 ( 3.629 -6.078 -3.393) 7.850 25.779 ( 0.790 -0.166 -1.860) 2.028 25.812 ( -0.436 0.608 -2.593) 2.698 26.088 ( -0.337 -3.198 4.197) 5.287 26.154 ( 0.846 -1.821 -1.002) 2.244 26.522 ( 0.739 -0.143 0.977) 1.233 26.534 ( 0.437 -0.572 -0.408) 0.827 26.560 ( 1.456 0.310 0.235) 1.507 26.665 ( 1.876 -1.723 -0.772) 2.661 26.773 ( 1.529 4.674 1.074) 5.034 26.847 ( 1.432 6.360 -0.717) 6.559 26.892 ( 1.258 3.474 -1.704) 4.069 26.909 ( 2.219 1.758 0.591) 2.892 26.985 ( -1.392 5.785 0.425) 5.965 27.145 ( -1.332 1.052 3.448) 3.843 27.221 ( 0.335 -1.384 -3.195) 3.498 27.291 ( -1.658 0.855 -4.908) 5.250 27.466 ( -2.992 2.097 4.231) 5.590 27.606 ( 0.459 -0.114 0.415) 0.629 27.850 ( 1.591 2.732 6.846) 7.541 28.080 ( 2.555 -1.042 -1.636) 3.208 28.157 ( 3.892 -0.078 5.438) 6.688 28.334 ( 1.771 -3.027 -6.993) 7.823 28.480 ( -6.606 -5.251 0.491) 8.453 28.649 ( 5.227 -10.269 6.933) 13.448 28.850 ( -6.826 1.964 -11.233) 13.291 29.094 ( 1.886 0.742 -5.766) 6.112 29.768 ( 5.242 -0.627 7.534) 9.200 29.859 ( 15.524 -1.277 5.364) 16.474 30.373 ( -0.674 0.881 0.847) 1.396 30.518 ( -9.492 -2.553 -6.845) 11.977 30.623 ( -8.300 -0.780 -2.331) 8.656 30.672 ( -9.849 0.231 -1.398) 9.950 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.278 20.377 9.677) 22.559 1.555 ( 1.435 19.731 8.299) 21.453 1.819 ( 1.259 -6.277 -3.786) 7.438 1.915 ( 0.019 -10.621 -3.915) 11.319 2.210 ( 3.152 3.617 1.096) 4.921 2.297 ( 4.454 2.404 -4.289) 6.634 2.390 ( 3.782 -4.760 -2.987) 6.774 2.426 ( -4.850 -4.977 -3.498) 7.780 2.488 ( 1.849 0.997 0.836) 2.261 2.546 ( 3.164 -4.579 -3.548) 6.600 2.719 ( -1.294 0.444 -1.549) 2.066 2.752 ( 0.261 -4.645 -6.741) 8.190 2.839 ( -1.157 2.748 2.349) 3.796 2.905 ( 6.390 -4.630 -2.888) 8.404 2.979 ( -3.374 -2.290 2.683) 4.882 3.012 ( -3.003 -0.927 -2.445) 3.982 3.182 ( 2.108 3.687 -1.212) 4.416 3.257 ( 1.271 -1.507 -0.988) 2.205 3.367 ( -0.565 1.708 -0.990) 2.054 3.385 ( -1.481 3.501 -0.060) 3.802 3.467 ( -2.376 11.365 6.752) 13.432 3.594 ( -2.728 5.138 2.484) 6.325 3.698 ( -4.786 -3.980 6.854) 9.258 3.820 ( 1.433 0.929 2.034) 2.656 3.838 ( -4.560 -7.536 7.121) 11.327 3.890 ( 0.699 -1.865 2.744) 3.391 4.106 ( -0.183 5.359 6.761) 8.629 4.176 ( 1.396 -0.189 -1.049) 1.757 4.371 ( -0.956 -3.154 5.183) 6.142 4.404 ( -8.405 -4.749 -0.008) 9.654 4.546 ( 5.899 2.846 -4.805) 8.123 4.619 ( 6.854 0.254 -5.821) 8.996 4.697 ( -2.572 5.013 3.634) 6.705 4.857 ( 3.556 -0.791 3.126) 4.800 4.926 ( -0.570 8.841 -4.140) 9.779 5.016 ( 1.646 2.917 -3.171) 4.612 5.055 ( 0.099 4.506 2.445) 5.127 5.211 ( -3.182 -8.418 -1.777) 9.173 5.297 ( 0.086 1.478 3.410) 3.718 5.305 ( 2.902 3.977 4.283) 6.526 5.414 ( -0.603 -3.400 3.170) 4.687 5.423 ( 0.045 -5.720 1.106) 5.826 5.671 ( -3.018 3.963 3.293) 5.971 5.805 ( -0.839 -5.490 -1.679) 5.802 5.910 ( 0.370 -0.723 3.709) 3.796 5.923 ( -1.215 -2.384 -0.844) 2.806 6.028 ( -0.333 3.192 -2.827) 4.277 6.072 ( -1.805 -0.729 1.357) 2.373 6.164 ( 3.985 0.755 -2.906) 4.990 6.185 ( -0.465 -1.598 -0.184) 1.674 6.370 ( -1.615 3.971 5.728) 7.154 6.408 ( 0.491 -0.662 5.820) 5.878 6.481 ( -0.539 3.515 -5.058) 6.183 6.599 ( -1.379 -6.781 -3.348) 7.687 6.888 ( -2.915 0.086 1.604) 3.328 6.929 ( 2.315 -4.566 -4.297) 6.683 7.167 ( 2.614 2.316 -7.981) 8.712 7.190 ( 2.002 -0.434 -7.752) 8.018 7.448 ( 1.831 1.154 3.472) 4.092 7.483 ( 4.816 -1.245 -1.898) 5.324 7.753 ( -3.807 1.964 -2.281) 4.853 7.846 ( -4.491 -6.132 -4.810) 8.995 8.212 ( -1.579 2.105 1.303) 2.936 8.241 ( -0.369 -0.690 0.804) 1.122 8.500 ( 1.937 4.102 0.361) 4.551 8.577 ( 2.680 -2.238 -3.101) 4.669 8.712 ( -0.745 1.562 3.065) 3.520 8.728 ( -0.347 0.299 2.015) 2.066 9.364 ( -0.653 2.046 -0.317) 2.171 9.407 ( 2.290 -1.810 -2.736) 4.001 9.600 ( -1.322 -0.497 -1.563) 2.107 9.607 ( -2.460 -1.905 -0.828) 3.219 9.757 ( -2.087 3.989 -1.777) 4.840 9.804 ( -0.138 -0.591 -0.953) 1.130 9.883 ( 3.151 0.182 -2.557) 4.062 9.922 ( 2.147 -2.905 -3.492) 5.024 10.852 ( 0.715 0.546 -0.367) 0.972 10.867 ( -1.641 -0.960 -0.955) 2.127 11.216 ( 2.077 0.650 1.742) 2.787 11.244 ( 0.055 -1.801 0.507) 1.872 11.493 ( -1.128 0.519 3.564) 3.774 11.533 ( -0.485 -1.474 0.734) 1.716 11.569 ( -1.493 -0.281 -0.394) 1.570 11.627 ( -0.477 -4.006 -2.712) 4.861 12.409 ( 0.749 0.562 1.085) 1.433 12.429 ( 0.069 -1.220 0.239) 1.245 12.684 ( -0.153 0.769 0.764) 1.095 12.691 ( 0.582 0.263 0.445) 0.778 13.132 ( 0.702 1.200 1.263) 1.879 13.163 ( -0.129 -1.419 0.270) 1.450 13.309 ( 0.692 0.277 -1.154) 1.374 13.319 ( -0.705 -0.625 -0.977) 1.357 14.269 ( -0.064 2.755 0.473) 2.796 14.295 ( 0.100 0.595 -0.508) 0.789 14.396 ( -1.761 -0.160 1.348) 2.223 14.431 ( -0.065 -2.706 -0.653) 2.785 14.802 ( -0.442 3.424 2.131) 4.057 14.875 ( 0.919 -1.855 -1.575) 2.601 14.937 ( 0.418 -0.581 -1.099) 1.312 14.953 ( -0.532 -2.892 -1.841) 3.469 15.808 ( 0.710 1.683 3.412) 3.870 15.843 ( -0.109 -1.485 3.382) 3.696 15.970 ( -0.157 3.405 -1.406) 3.688 16.038 ( 0.250 -2.810 -3.170) 4.243 16.508 ( 0.151 0.711 1.452) 1.624 16.540 ( 0.372 -2.293 0.262) 2.338 16.931 ( 0.573 2.316 0.346) 2.411 16.963 ( 0.461 -0.615 -1.092) 1.336 17.305 ( -0.169 0.388 0.450) 0.618 17.326 ( 1.198 -1.510 -0.446) 1.978 17.507 ( -2.147 0.041 2.352) 3.185 17.535 ( -0.724 -2.229 0.813) 2.481 17.978 ( 0.791 6.240 5.784) 8.545 18.082 ( 0.816 -3.334 3.499) 4.902 18.188 ( 0.580 5.115 -0.525) 5.174 18.295 ( -0.921 -4.039 -2.769) 4.983 18.603 ( 0.826 3.027 1.907) 3.672 18.661 ( -0.695 -1.655 -0.659) 1.912 18.955 ( 0.819 0.072 0.977) 1.277 18.970 ( -0.014 -0.848 1.012) 1.320 19.325 ( -0.399 11.918 2.326) 12.149 19.489 ( 0.675 -0.359 -5.376) 5.430 19.800 ( 0.908 0.337 0.673) 1.179 19.910 ( -0.638 -7.377 -3.783) 8.315 25.793 ( 0.011 1.012 -0.688) 1.224 25.816 ( -0.284 -0.269 -1.619) 1.666 26.050 ( 0.161 0.797 0.768) 1.118 26.114 ( 1.022 -4.230 -2.588) 5.063 26.528 ( -0.468 0.447 0.129) 0.660 26.537 ( 0.126 -0.363 0.020) 0.385 26.595 ( 1.058 0.767 -1.046) 1.674 26.630 ( 0.292 -2.503 -1.929) 3.174 26.877 ( -0.463 3.419 1.987) 3.981 26.920 ( -0.642 -0.473 1.639) 1.823 26.962 ( -0.638 3.687 -0.828) 3.832 27.000 ( 0.154 0.386 -1.106) 1.182 27.127 ( -0.104 5.877 0.725) 5.923 27.162 ( 0.844 1.461 0.499) 1.759 27.206 ( -0.649 0.562 -1.480) 1.711 27.236 ( -2.047 -1.068 -2.327) 3.278 27.472 ( -2.529 2.844 6.601) 7.620 27.538 ( -2.777 -2.814 4.228) 5.788 27.926 ( 0.085 2.183 2.825) 3.571 28.004 ( -3.028 -4.550 -1.407) 5.643 28.227 ( -0.197 4.828 1.917) 5.199 28.323 ( 2.003 -3.682 -1.208) 4.362 28.419 ( 4.810 6.378 6.485) 10.289 28.583 ( 7.031 -9.041 7.413) 13.642 28.810 ( -4.104 3.932 -12.171) 13.433 28.940 ( -6.122 -7.922 -11.070) 14.926 29.911 ( 3.671 2.684 5.896) 7.446 29.981 ( 1.317 -3.984 3.225) 5.293 30.377 ( -3.790 0.545 -1.980) 4.311 30.392 ( -1.415 -0.865 -2.281) 2.821 30.531 ( 0.668 0.214 -1.552) 1.703 30.537 ( 3.589 -0.281 -1.827) 4.038 ======================= Grid point 78 (44/60) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 7.274 21.129 2.579) 22.494 1.683 ( 9.667 14.450 6.398) 18.526 1.914 ( 5.110 -8.403 -4.190) 10.690 1.965 ( 5.876 -10.087 -4.124) 12.381 2.180 ( -3.246 7.004 -4.693) 9.034 2.306 ( -6.770 -3.947 -3.183) 8.458 2.398 ( 2.044 -0.830 0.474) 2.256 2.440 ( -1.697 -4.406 -0.723) 4.777 2.551 ( 3.036 2.336 2.584) 4.621 2.622 ( 3.267 -4.237 -6.085) 8.102 2.719 ( -0.686 4.495 1.028) 4.662 2.790 ( 1.796 -2.629 -2.364) 3.965 2.836 ( 6.743 3.404 -7.574) 10.697 2.944 ( 2.402 -5.755 -0.117) 6.237 2.979 ( 1.488 -1.717 -0.552) 2.338 3.021 ( 1.083 -2.644 -4.434) 5.275 3.171 ( -4.513 3.054 -2.996) 6.219 3.254 ( 2.676 -4.852 -2.651) 6.142 3.365 ( -5.892 3.474 6.501) 9.437 3.398 ( 2.418 1.394 1.934) 3.396 3.437 ( 4.278 14.752 9.535) 18.078 3.572 ( 2.976 2.675 0.473) 4.030 3.626 ( -1.646 -4.391 0.538) 4.720 3.760 ( -3.186 2.702 1.197) 4.345 3.815 ( -1.258 -3.548 3.113) 4.884 3.870 ( -3.295 -3.946 4.116) 6.586 4.061 ( -3.648 5.695 10.478) 12.471 4.154 ( -7.657 -3.471 6.232) 10.465 4.236 ( -0.932 -2.340 -0.297) 2.537 4.338 ( -2.782 -8.058 1.730) 8.698 4.640 ( -1.456 12.143 -3.276) 12.661 4.671 ( 3.483 2.752 -1.892) 4.825 4.725 ( -1.048 0.951 1.679) 2.196 4.847 ( -0.318 0.987 0.517) 1.158 4.965 ( -0.839 7.545 3.732) 8.459 5.007 ( -1.407 1.808 -3.920) 4.541 5.078 ( 4.240 4.287 -1.395) 6.189 5.160 ( -0.552 -5.941 -3.230) 6.785 5.304 ( -0.382 -1.083 2.589) 2.832 5.369 ( 2.399 1.460 2.639) 3.854 5.393 ( -2.299 -5.829 -1.307) 6.401 5.419 ( 1.722 -0.831 4.993) 5.347 5.611 ( -2.557 2.310 5.780) 6.729 5.756 ( -5.098 -8.554 1.920) 10.141 5.849 ( -4.073 2.080 0.070) 4.574 5.909 ( -1.295 -3.525 -0.454) 3.783 6.005 ( -2.882 0.475 1.178) 3.150 6.016 ( -2.312 -1.824 2.688) 3.987 6.189 ( 0.395 0.698 -1.265) 1.498 6.224 ( -1.404 -1.654 -2.974) 3.681 6.284 ( -1.765 4.423 4.661) 6.664 6.391 ( -1.560 -4.369 3.326) 5.708 6.460 ( -0.954 4.455 -5.140) 6.869 6.566 ( -2.133 -5.660 -3.615) 7.047 6.891 ( 2.735 4.388 1.807) 5.477 7.011 ( 4.813 -6.773 -0.534) 8.326 7.224 ( 2.237 3.003 -6.452) 7.460 7.266 ( 3.377 -0.946 -8.194) 8.913 7.432 ( -0.963 7.746 -2.045) 8.069 7.576 ( 2.798 -3.368 -4.374) 6.189 7.776 ( 6.110 -2.062 1.724) 6.675 7.819 ( 3.553 -4.331 -1.955) 5.934 8.200 ( 0.044 2.314 1.929) 3.013 8.245 ( 0.247 -1.743 2.008) 2.670 8.527 ( 0.284 5.140 -1.764) 5.441 8.604 ( -0.276 -2.377 -3.067) 3.890 8.745 ( 2.124 1.304 1.474) 2.895 8.766 ( 5.221 -1.269 0.526) 5.399 9.370 ( 1.068 3.990 -0.743) 4.197 9.468 ( 2.104 -4.365 -3.009) 5.704 9.547 ( -1.869 0.653 0.596) 2.067 9.578 ( -1.055 -1.721 0.581) 2.101 9.696 ( -3.310 4.005 -2.410) 5.728 9.769 ( -2.573 -2.870 -1.491) 4.133 9.931 ( 1.608 0.835 -3.637) 4.064 9.962 ( 1.321 -1.948 -3.376) 4.115 10.852 ( 0.438 1.147 -0.895) 1.519 10.874 ( 1.360 -0.792 0.074) 1.575 11.207 ( -3.215 0.968 -0.225) 3.365 11.234 ( -0.872 -1.691 0.734) 2.039 11.481 ( -0.176 -0.182 4.511) 4.518 11.524 ( 0.060 -3.952 1.237) 4.142 11.564 ( 0.908 1.466 0.188) 1.735 11.621 ( 0.038 -3.557 -2.000) 4.081 12.422 ( 0.499 0.751 0.441) 1.004 12.438 ( 0.563 -0.680 0.397) 0.968 12.680 ( -0.329 1.222 0.736) 1.464 12.699 ( 0.198 -0.463 0.488) 0.701 13.119 ( -2.033 0.729 0.459) 2.208 13.135 ( -2.268 -0.467 -0.260) 2.330 13.312 ( 0.474 0.381 -1.255) 1.395 13.333 ( 1.307 -1.736 0.308) 2.194 14.249 ( -1.577 2.113 0.676) 2.722 14.285 ( -1.188 -0.513 -0.616) 1.433 14.371 ( -0.484 1.764 1.669) 2.477 14.434 ( 0.173 -3.168 0.109) 3.175 14.796 ( -0.279 4.821 1.882) 5.183 14.899 ( 1.010 -3.291 -0.752) 3.523 14.933 ( -0.933 -0.607 -1.340) 1.742 14.946 ( 0.592 -1.088 -1.383) 1.857 15.805 ( -0.849 1.511 3.323) 3.748 15.835 ( -0.577 -1.152 3.533) 3.760 15.997 ( 2.399 3.986 -2.007) 5.066 16.079 ( 3.344 -3.627 -3.681) 6.155 16.526 ( 1.522 1.066 1.077) 2.147 16.558 ( 1.286 -1.879 0.179) 2.284 16.960 ( 2.010 2.357 -0.087) 3.099 16.988 ( 1.619 -0.605 -0.815) 1.911 17.306 ( 0.370 0.650 -0.285) 0.800 17.347 ( 0.778 -2.861 -0.798) 3.070 17.455 ( -2.260 1.321 2.999) 3.980 17.504 ( -1.993 -2.961 2.052) 4.117 17.994 ( 0.807 6.110 3.543) 7.109 18.094 ( 0.033 -2.647 2.077) 3.365 18.211 ( 1.507 4.426 1.013) 4.784 18.298 ( 0.871 -2.751 -2.600) 3.884 18.625 ( 1.374 3.612 0.749) 3.936 18.705 ( 4.532 -3.426 0.626) 5.716 18.964 ( -1.218 1.299 0.865) 1.979 18.986 ( 2.373 -1.291 0.040) 2.702 19.296 ( -1.943 11.623 1.529) 11.883 19.493 ( 0.071 -3.916 -4.447) 5.926 19.754 ( -5.326 0.310 -0.114) 5.336 19.847 ( -5.151 -5.886 -2.861) 8.328 25.791 ( -0.196 0.833 -0.577) 1.032 25.810 ( -0.206 -0.218 -1.525) 1.554 26.048 ( -0.364 1.215 0.660) 1.430 26.124 ( -0.091 -5.014 -2.504) 5.606 26.509 ( -1.290 0.661 -0.277) 1.476 26.529 ( -0.868 -1.193 0.005) 1.475 26.604 ( -0.156 0.345 -1.422) 1.471 26.620 ( -0.998 -1.201 -1.925) 2.479 26.855 ( -1.557 3.354 2.127) 4.266 26.896 ( -1.563 -0.233 1.806) 2.400 26.942 ( -1.616 2.673 -1.011) 3.283 26.965 ( -3.157 0.282 -0.595) 3.225 27.130 ( 0.304 5.099 1.454) 5.311 27.169 ( -1.057 5.381 -1.416) 5.663 27.184 ( 1.235 0.483 1.327) 1.876 27.230 ( 0.732 -1.797 -0.707) 2.065 27.448 ( 0.041 1.479 7.383) 7.530 27.510 ( 0.189 -3.190 6.448) 7.197 27.932 ( -0.588 0.744 2.467) 2.643 27.972 ( 0.157 -3.048 1.465) 3.385 28.165 ( -4.938 9.870 1.726) 11.171 28.327 ( -1.622 -4.295 -2.810) 5.383 28.519 ( 3.921 6.266 1.863) 7.623 28.630 ( -1.749 -3.553 -1.228) 4.146 28.834 ( 0.643 -4.975 -9.694) 10.915 28.857 ( 4.589 -6.395 -2.372) 8.220 29.865 ( -8.223 1.468 3.079) 8.903 29.902 ( -8.135 -1.815 2.580) 8.725 30.327 ( 1.577 2.959 1.355) 3.617 30.398 ( 3.818 -3.427 0.630) 5.169 30.638 ( 7.564 3.798 -3.926) 9.330 30.739 ( 11.333 -5.686 -5.492) 13.817 ======================= Grid point 79 (45/60) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.992 14.559 -4.958) 16.895 1.847 ( 3.609 5.743 -2.454) 7.213 1.984 ( 1.238 0.220 -10.739) 10.812 2.071 ( -1.186 -6.314 2.298) 6.823 2.115 ( -6.618 -1.248 -3.626) 7.648 2.129 ( 0.718 -2.358 -1.015) 2.666 2.358 ( -2.857 0.765 -4.949) 5.766 2.441 ( -1.990 -4.443 -0.815) 4.936 2.545 ( 2.751 4.731 5.798) 7.973 2.641 ( -1.869 -2.083 3.919) 4.815 2.773 ( 4.500 2.130 0.476) 5.001 2.812 ( 1.408 0.452 2.049) 2.527 2.939 ( -0.492 2.547 -2.323) 3.483 2.959 ( -2.632 -0.809 -5.084) 5.782 3.042 ( 3.313 -2.768 -1.313) 4.512 3.068 ( 5.893 -6.546 -6.776) 11.112 3.137 ( -0.168 8.498 -1.683) 8.665 3.257 ( -0.220 -0.235 3.755) 3.769 3.366 ( 3.046 -2.802 -1.687) 4.469 3.417 ( 4.427 -3.262 3.852) 6.714 3.566 ( -3.939 5.880 -6.444) 9.572 3.595 ( -3.264 1.197 -4.008) 5.306 3.660 ( 7.916 7.717 4.683) 12.006 3.718 ( 5.369 4.061 2.448) 7.163 3.765 ( -2.825 -3.896 5.998) 7.690 3.883 ( 4.933 -0.921 0.891) 5.096 4.003 ( -0.046 2.437 4.442) 5.067 4.053 ( -2.738 -1.320 7.779) 8.351 4.248 ( 0.578 -3.632 2.866) 4.662 4.310 ( 0.869 -5.208 2.159) 5.705 4.519 ( -10.340 8.555 0.086) 13.421 4.597 ( -8.506 -0.115 3.262) 9.111 4.720 ( 0.880 5.614 -0.422) 5.698 4.874 ( 0.451 6.533 7.927) 10.282 4.901 ( -2.526 -2.991 3.762) 5.430 5.008 ( 1.006 4.328 -3.851) 5.880 5.108 ( -4.073 3.310 -0.084) 5.249 5.152 ( -0.474 -0.903 -0.818) 1.307 5.319 ( -1.197 -6.173 -3.910) 7.404 5.351 ( 2.427 -4.478 -0.217) 5.098 5.406 ( 0.747 1.091 5.364) 5.525 5.451 ( 0.859 -0.951 1.686) 2.118 5.614 ( 2.467 -0.257 3.533) 4.317 5.656 ( -2.720 -2.768 5.338) 6.599 5.790 ( -1.185 3.309 -0.484) 3.548 5.860 ( -3.349 -2.106 2.008) 4.436 5.924 ( -5.118 -1.734 4.036) 6.744 5.985 ( -0.386 -8.281 3.029) 8.826 6.136 ( -3.562 2.599 2.735) 5.189 6.170 ( -1.878 0.577 -2.786) 3.409 6.321 ( 1.320 1.144 4.293) 4.634 6.385 ( 0.774 -1.749 -5.668) 5.982 6.462 ( 1.464 0.414 -5.368) 5.579 6.520 ( -1.836 -5.102 -7.280) 9.078 6.954 ( 2.508 5.489 3.832) 7.149 7.075 ( 0.815 -5.064 -0.698) 5.176 7.214 ( -1.263 3.286 -2.160) 4.130 7.292 ( 0.062 -3.814 -2.656) 4.648 7.473 ( 3.339 8.785 -7.945) 12.306 7.603 ( 0.381 -2.018 -6.044) 6.383 7.923 ( 7.359 -2.946 1.311) 8.034 7.944 ( 5.773 -3.954 0.950) 7.061 8.228 ( 3.094 1.300 2.696) 4.304 8.260 ( 2.150 -1.710 3.424) 4.390 8.530 ( 0.223 4.618 -3.219) 5.633 8.579 ( -1.720 -0.386 -4.304) 4.651 8.769 ( 0.019 3.847 1.230) 4.039 8.852 ( 1.844 -4.430 -2.472) 5.398 9.386 ( 0.510 2.691 -0.211) 2.747 9.424 ( -4.094 0.102 0.899) 4.193 9.549 ( 0.784 1.607 1.584) 2.389 9.605 ( 2.202 -3.267 0.837) 4.028 9.652 ( -0.254 2.825 -3.701) 4.663 9.726 ( -1.260 -3.617 -3.898) 5.465 9.938 ( -0.779 0.820 -3.080) 3.281 9.968 ( -0.620 -1.840 -3.035) 3.603 10.879 ( 1.954 1.010 -1.244) 2.527 10.898 ( 0.744 -0.596 0.151) 0.965 11.138 ( -2.957 1.637 0.097) 3.381 11.190 ( -3.065 -3.146 -0.266) 4.400 11.488 ( 0.703 0.534 4.169) 4.261 11.540 ( 1.301 -3.855 1.586) 4.367 11.589 ( 1.308 0.113 0.355) 1.360 11.625 ( 0.301 -2.939 -1.588) 3.354 12.432 ( 0.487 0.756 0.323) 0.955 12.443 ( -0.063 -0.299 0.593) 0.667 12.672 ( -0.369 1.264 1.091) 1.710 12.696 ( -0.563 -0.728 0.772) 1.201 13.075 ( -1.954 0.456 -0.350) 2.037 13.086 ( -2.116 -0.406 -0.777) 2.291 13.332 ( 1.276 0.095 -0.067) 1.281 13.352 ( 0.475 -1.938 0.958) 2.214 14.222 ( -0.904 1.543 0.523) 1.863 14.255 ( -1.527 -1.155 -0.552) 1.993 14.375 ( 0.699 2.356 1.686) 2.980 14.436 ( 0.065 -2.913 0.335) 2.933 14.790 ( -0.302 5.289 2.353) 5.797 14.897 ( -0.934 -4.156 0.981) 4.371 14.924 ( -0.089 1.643 -1.583) 2.284 14.962 ( 0.787 -1.855 -2.140) 2.940 15.789 ( -0.673 1.951 4.068) 4.561 15.828 ( -0.216 -1.442 4.203) 4.449 16.042 ( 1.829 4.934 -3.058) 6.086 16.139 ( 2.271 -4.032 -5.103) 6.889 16.561 ( 1.591 0.666 0.772) 1.889 16.581 ( 0.766 -1.259 0.412) 1.530 17.000 ( 1.798 2.138 -0.291) 2.808 17.015 ( 0.999 0.319 -0.270) 1.083 17.316 ( 0.405 -0.272 -0.436) 0.654 17.350 ( -0.209 -2.825 -1.241) 3.092 17.441 ( 0.569 0.551 3.241) 3.337 17.473 ( -0.934 -2.356 2.787) 3.767 18.014 ( 0.864 5.398 1.891) 5.784 18.082 ( -0.954 -0.036 0.263) 0.991 18.241 ( 0.999 3.700 2.202) 4.420 18.320 ( 1.627 -2.769 -2.953) 4.363 18.659 ( 2.041 6.730 1.055) 7.112 18.807 ( 4.664 -6.340 3.020) 8.430 18.900 ( -4.599 7.282 -0.869) 8.657 19.038 ( 1.945 -6.300 -1.961) 6.879 19.285 ( 1.530 9.841 1.025) 10.012 19.501 ( 0.190 -9.540 -1.680) 9.689 19.622 ( -5.993 3.431 -2.631) 7.390 19.722 ( -7.045 -5.174 -0.917) 8.789 25.787 ( -0.184 0.950 -0.512) 1.094 25.809 ( 0.082 -0.387 -1.610) 1.658 26.038 ( -0.492 0.884 1.194) 1.565 26.110 ( -1.059 -4.996 -1.488) 5.320 26.489 ( -0.484 0.644 -0.026) 0.806 26.510 ( -0.807 -1.388 0.153) 1.613 26.590 ( -1.120 0.389 -1.533) 1.938 26.599 ( -1.020 -0.496 -1.670) 2.019 26.821 ( -2.222 3.126 2.636) 4.653 26.853 ( -2.094 1.262 2.685) 3.631 26.899 ( -1.455 2.324 -1.472) 3.112 26.940 ( 0.573 -1.179 -2.998) 3.272 27.135 ( 0.036 5.311 1.630) 5.555 27.166 ( 0.392 5.244 -1.133) 5.379 27.212 ( 1.334 0.130 2.340) 2.696 27.256 ( 1.713 -2.359 -0.207) 2.922 27.475 ( 2.254 1.942 7.529) 8.095 27.540 ( 2.255 -3.151 7.572) 8.506 27.906 ( -1.708 3.340 1.887) 4.199 27.976 ( -0.454 -3.203 2.505) 4.091 28.076 ( -3.369 8.873 1.231) 9.571 28.262 ( -4.078 -7.187 -3.813) 9.101 28.551 ( -0.278 2.576 -6.033) 6.566 28.608 ( 0.022 -2.155 -4.042) 4.581 28.882 ( 4.973 1.721 -2.214) 5.710 28.986 ( 5.810 -6.621 -1.773) 8.986 29.677 ( -9.209 0.310 2.993) 9.688 29.710 ( -9.537 -2.633 1.444) 9.998 30.404 ( 4.451 4.434 4.688) 7.839 30.508 ( 5.712 -4.953 3.300) 8.249 30.771 ( 5.250 5.273 -6.702) 10.014 30.901 ( 4.679 -6.793 -7.572) 11.197 ======================= Grid point 80 (46/60) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -8.666 6.285 -5.043) 11.833 1.830 ( -4.404 -2.286 -2.843) 5.719 1.897 ( 1.260 8.881 -9.193) 12.844 2.012 ( 3.070 -2.086 -10.592) 11.223 2.155 ( 3.107 1.158 -0.021) 3.316 2.225 ( 1.711 -2.917 -4.417) 5.563 2.310 ( -2.308 -0.456 5.528) 6.008 2.364 ( -4.252 -3.522 2.469) 6.048 2.610 ( 1.028 1.219 4.372) 4.654 2.634 ( 2.240 -0.230 2.051) 3.045 2.835 ( 1.545 1.841 5.575) 6.071 2.845 ( 2.201 0.403 -1.905) 2.939 2.895 ( -1.576 4.027 -1.690) 4.643 2.943 ( 1.317 -1.499 -1.248) 2.354 3.007 ( -4.753 2.954 -0.910) 5.669 3.117 ( -1.436 1.115 4.818) 5.149 3.203 ( -1.759 -0.061 -8.886) 9.059 3.268 ( 2.831 -1.946 1.989) 3.969 3.368 ( 1.116 0.647 -5.965) 6.103 3.419 ( -3.191 -6.055 -2.934) 7.447 3.538 ( -0.612 0.105 -0.234) 0.663 3.581 ( 1.467 -1.423 -3.212) 3.807 3.705 ( 5.112 -0.170 1.455) 5.318 3.745 ( 3.063 -2.791 -0.904) 4.241 3.891 ( -3.874 7.820 4.832) 9.975 3.983 ( -3.173 1.794 2.241) 4.279 4.016 ( 5.874 2.422 0.634) 6.385 4.049 ( 2.716 1.466 -0.649) 3.154 4.250 ( 0.530 5.317 4.938) 7.275 4.308 ( -5.385 1.767 6.731) 8.799 4.403 ( 2.290 2.917 -0.645) 3.764 4.454 ( 0.280 -1.277 1.942) 2.341 4.750 ( 2.108 -0.335 4.712) 5.172 4.805 ( -3.510 0.895 7.347) 8.191 4.911 ( 1.177 3.149 6.020) 6.895 4.998 ( -5.305 7.982 0.000) 9.585 5.059 ( 3.749 5.226 1.741) 6.663 5.163 ( 1.052 -4.579 0.312) 4.708 5.260 ( -3.779 -3.117 2.405) 5.457 5.350 ( -2.454 -8.744 -3.216) 9.634 5.418 ( -0.527 -1.522 4.246) 4.541 5.445 ( -1.537 -3.434 -0.395) 3.783 5.647 ( 1.797 3.593 -0.327) 4.031 5.698 ( 3.709 -0.174 2.202) 4.317 5.821 ( 2.453 -0.772 1.171) 2.825 5.845 ( 2.509 -2.668 5.318) 6.457 5.853 ( 0.856 1.665 2.796) 3.366 6.002 ( 2.084 -8.765 -0.205) 9.012 6.076 ( -2.609 3.631 7.429) 8.670 6.142 ( -1.133 -1.055 -0.092) 1.551 6.315 ( -1.111 1.988 2.497) 3.380 6.384 ( -1.756 -2.842 -8.552) 9.182 6.478 ( 0.780 1.155 -7.472) 7.601 6.540 ( 3.447 -5.294 -10.280) 12.066 6.972 ( -0.565 3.821 3.260) 5.055 7.050 ( -2.081 -1.869 0.292) 2.812 7.212 ( 0.278 2.307 -0.228) 2.335 7.288 ( -0.579 -3.753 1.113) 3.957 7.481 ( -2.635 6.220 -5.956) 9.006 7.583 ( -2.536 -2.025 -6.677) 7.424 8.003 ( 1.054 -1.810 1.135) 2.382 8.036 ( 3.046 -4.343 -0.888) 5.379 8.309 ( 4.375 1.435 3.499) 5.783 8.333 ( 3.716 -0.746 3.816) 5.378 8.494 ( -3.948 3.804 -4.442) 7.056 8.553 ( -1.514 -1.235 -6.628) 6.911 8.754 ( -1.165 5.008 1.889) 5.477 8.840 ( -1.732 -3.206 -2.025) 4.169 9.372 ( -0.559 3.101 1.218) 3.378 9.416 ( 2.898 -0.844 0.678) 3.094 9.567 ( 0.432 1.674 2.333) 2.904 9.606 ( -0.569 -0.684 0.105) 0.896 9.679 ( 1.178 1.404 -4.688) 5.033 9.723 ( 0.856 -2.135 -4.980) 5.486 9.910 ( -1.837 -0.280 -1.023) 2.121 9.938 ( -1.993 -2.700 -2.807) 4.375 10.894 ( -1.042 1.106 -0.129) 1.525 10.916 ( 1.376 -0.916 -1.191) 2.038 11.112 ( 0.423 0.035 0.900) 0.995 11.137 ( -1.687 -2.270 -0.703) 2.914 11.506 ( 0.879 1.348 3.640) 3.980 11.564 ( 0.738 -2.698 1.539) 3.192 11.609 ( 0.603 -1.579 -0.124) 1.695 11.631 ( 0.420 -2.816 -1.928) 3.439 12.431 ( -0.748 0.520 0.874) 1.263 12.442 ( 0.077 -0.374 0.490) 0.621 12.668 ( -0.118 0.878 1.575) 1.807 12.681 ( -0.742 -0.255 1.103) 1.354 13.049 ( -0.369 1.009 -0.442) 1.161 13.071 ( 0.548 -1.082 -1.286) 1.768 13.346 ( -0.850 -0.622 1.118) 1.536 13.353 ( 0.326 -1.198 0.863) 1.512 14.218 ( 0.538 0.908 0.320) 1.103 14.234 ( -0.457 -0.359 -0.618) 0.849 14.397 ( 1.317 1.450 1.559) 2.503 14.439 ( 0.329 -2.359 -0.220) 2.392 14.791 ( 0.503 4.482 3.170) 5.513 14.875 ( -1.174 -2.806 1.071) 3.225 14.921 ( -0.209 1.739 -1.596) 2.370 14.969 ( -0.066 -2.390 -2.155) 3.219 15.780 ( -0.410 2.321 4.599) 5.168 15.827 ( 0.027 -1.841 4.665) 5.016 16.061 ( 0.090 5.161 -3.477) 6.224 16.157 ( -0.360 -3.644 -5.866) 6.915 16.578 ( -0.081 -0.365 0.886) 0.961 16.582 ( -0.653 -0.877 0.771) 1.338 17.023 ( 0.041 1.898 -0.288) 1.920 17.029 ( 0.509 1.165 -0.605) 1.408 17.315 ( -0.471 -0.859 0.360) 1.044 17.344 ( -0.604 -3.508 -1.248) 3.772 17.462 ( 1.248 -0.124 2.703) 2.980 17.468 ( 0.388 -0.804 2.662) 2.807 18.009 ( -1.380 5.417 2.082) 5.965 18.076 ( 0.379 -0.036 -0.367) 0.529 18.240 ( -0.955 5.231 1.686) 5.578 18.361 ( 2.046 -5.003 -3.447) 6.411 18.676 ( -2.063 9.398 4.176) 10.489 18.822 ( 0.760 5.244 -0.800) 5.358 18.884 ( 0.923 -3.568 1.634) 4.032 19.045 ( -1.049 -8.856 -3.787) 9.689 19.342 ( 1.062 7.445 2.875) 8.051 19.443 ( -0.876 -0.161 -2.421) 2.580 19.583 ( -5.864 -2.893 -0.720) 6.578 19.634 ( 4.999 -6.144 -2.267) 8.239 25.784 ( -0.018 1.285 -0.577) 1.409 25.813 ( 0.360 -0.689 -1.782) 1.944 26.032 ( -0.129 0.168 1.778) 1.791 26.089 ( -0.847 -4.297 -0.761) 4.445 26.492 ( 0.667 0.219 0.183) 0.726 26.503 ( 0.179 -0.786 0.042) 0.807 26.568 ( -0.886 0.691 -1.214) 1.654 26.584 ( -0.324 -0.885 -1.342) 1.640 26.786 ( -0.566 3.144 2.821) 4.262 26.829 ( -0.378 -0.563 3.097) 3.170 26.900 ( 1.364 4.389 -3.229) 5.617 26.963 ( 1.384 -1.526 -3.995) 4.495 27.133 ( -0.225 5.562 0.999) 5.656 27.176 ( 0.595 3.675 -1.093) 3.880 27.226 ( -0.227 0.915 3.003) 3.148 27.285 ( 0.961 -2.693 -0.156) 2.864 27.529 ( 2.643 2.341 7.297) 8.106 27.586 ( 1.728 -1.808 6.798) 7.244 27.889 ( 0.736 2.595 2.837) 3.915 27.960 ( -0.624 -3.145 1.102) 3.390 28.038 ( -0.673 7.666 1.906) 7.928 28.201 ( -1.482 -7.044 -4.530) 8.505 28.531 ( -1.786 1.166 -4.410) 4.899 28.588 ( -2.481 -3.462 -5.655) 7.079 28.991 ( 5.005 3.556 -1.758) 6.387 29.063 ( 1.656 -2.871 -5.237) 6.197 29.548 ( -2.936 -0.989 4.804) 5.717 29.580 ( -2.540 -3.986 2.973) 5.584 30.468 ( 1.402 5.137 5.622) 7.743 30.587 ( 1.670 -5.727 4.453) 7.444 30.826 ( 0.209 3.831 -8.293) 9.137 30.919 ( -2.376 -4.812 -7.857) 9.515 ======================= Grid point 81 (47/60) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -6.880 14.261 1.891) 15.947 1.788 ( 1.408 -3.443 -8.626) 9.394 1.977 ( -1.727 9.773 0.917) 9.966 2.005 ( -3.541 3.645 -3.750) 6.315 2.146 ( -2.801 -4.677 -4.101) 6.822 2.194 ( -1.761 -1.736 6.333) 6.798 2.305 ( 2.826 -7.659 -3.395) 8.842 2.323 ( 1.784 -7.978 -1.874) 8.387 2.600 ( -0.958 3.852 3.141) 5.062 2.699 ( -1.238 -4.792 2.360) 5.483 2.801 ( -2.837 5.674 -1.059) 6.432 2.843 ( -4.937 2.960 -1.531) 5.956 2.886 ( -4.542 -0.419 -0.276) 4.569 2.942 ( -1.103 -4.839 -1.089) 5.082 2.965 ( 2.986 5.028 -3.773) 6.959 3.057 ( -0.192 -1.098 -4.912) 5.037 3.111 ( -1.713 5.224 1.156) 5.618 3.273 ( -4.836 -9.325 -0.047) 10.504 3.375 ( 2.059 3.902 2.934) 5.299 3.437 ( 2.422 -3.346 1.861) 4.531 3.594 ( 3.562 3.467 -4.580) 6.759 3.643 ( -1.669 10.419 0.432) 10.561 3.674 ( -0.488 -0.241 1.531) 1.624 3.761 ( -4.647 5.145 0.627) 6.961 3.826 ( -1.599 2.462 -4.467) 5.345 3.898 ( -0.073 -6.679 0.043) 6.680 4.071 ( 3.386 0.505 4.241) 5.450 4.093 ( 2.111 -3.223 7.227) 8.190 4.228 ( -0.529 0.094 5.163) 5.191 4.301 ( 3.465 -4.227 -2.783) 6.133 4.516 ( 5.076 4.539 3.408) 7.614 4.537 ( 3.683 2.779 4.581) 6.502 4.761 ( 0.815 -0.460 3.304) 3.434 4.838 ( 1.892 -3.024 0.257) 3.576 4.883 ( -3.258 9.953 2.180) 10.697 4.954 ( 2.471 13.904 2.967) 14.430 5.118 ( -5.565 -1.903 2.540) 6.406 5.149 ( 4.000 6.007 -0.943) 7.279 5.236 ( 2.354 -1.353 3.128) 4.141 5.319 ( 0.190 -8.018 0.593) 8.042 5.382 ( -3.084 -1.777 4.456) 5.703 5.433 ( 0.847 -12.698 -0.549) 12.738 5.694 ( 2.421 3.314 0.423) 4.126 5.751 ( 2.259 -1.797 1.251) 3.146 5.843 ( 2.245 -0.143 -0.953) 2.443 5.882 ( 0.798 -3.504 0.609) 3.645 5.976 ( 4.105 4.429 3.335) 6.899 6.042 ( 4.588 0.873 2.446) 5.273 6.083 ( -0.253 -0.788 3.120) 3.228 6.137 ( 3.188 -4.882 -1.838) 6.114 6.284 ( -1.898 3.516 2.122) 4.524 6.351 ( -0.573 -2.319 -0.711) 2.493 6.489 ( 0.166 2.693 -8.032) 8.473 6.602 ( 2.622 -8.922 -11.506) 14.795 6.953 ( -1.001 3.553 3.142) 4.847 7.018 ( -1.521 -0.869 3.841) 4.222 7.186 ( -2.936 3.591 -1.582) 4.901 7.268 ( -1.401 -3.839 0.231) 4.093 7.414 ( -2.840 3.211 -2.282) 4.856 7.501 ( -4.551 -3.344 -8.185) 9.944 7.974 ( -4.333 0.825 0.107) 4.412 8.034 ( -2.880 -3.992 -2.208) 5.394 8.351 ( -3.063 1.458 1.959) 3.917 8.365 ( -0.945 0.160 4.663) 4.761 8.449 ( 1.673 2.051 -2.959) 3.971 8.495 ( -1.965 -2.358 -7.482) 8.087 8.733 ( -0.822 5.213 2.316) 5.763 8.813 ( -1.337 -1.984 -0.941) 2.570 9.383 ( 0.384 4.064 -0.317) 4.095 9.469 ( 0.296 -3.017 0.643) 3.098 9.578 ( 1.341 1.599 0.480) 2.141 9.610 ( 1.904 -1.702 -2.113) 3.314 9.694 ( 1.134 3.804 -4.722) 6.168 9.743 ( 1.081 -0.472 -3.017) 3.239 9.865 ( -2.350 -0.797 0.105) 2.484 9.908 ( -0.796 -4.091 -1.359) 4.384 10.867 ( -1.332 2.448 -0.714) 2.877 10.925 ( -0.418 -2.981 -1.346) 3.298 11.128 ( 1.189 0.030 0.534) 1.303 11.153 ( 2.793 -2.266 1.623) 3.946 11.519 ( 0.185 1.751 3.156) 3.614 11.565 ( -0.593 -0.857 0.231) 1.067 11.612 ( -0.250 -1.976 -0.489) 2.051 11.642 ( 0.419 -3.651 -2.496) 4.442 12.412 ( -0.992 0.923 1.090) 1.739 12.440 ( -0.310 -1.534 0.841) 1.776 12.668 ( 0.178 0.844 1.143) 1.432 12.677 ( 0.271 -0.026 1.507) 1.531 13.063 ( 1.662 1.549 -0.132) 2.276 13.098 ( 1.953 -1.568 -0.936) 2.674 13.320 ( -1.393 0.873 0.604) 1.752 13.352 ( -0.491 -2.144 1.024) 2.426 14.234 ( 0.798 1.132 -0.300) 1.417 14.244 ( 1.615 0.135 -0.048) 1.621 14.421 ( 0.891 0.425 1.142) 1.509 14.446 ( 0.155 -1.735 -0.975) 1.996 14.810 ( 0.868 2.615 3.650) 4.573 14.859 ( -0.141 -1.143 -0.099) 1.156 14.916 ( -0.172 1.083 -1.085) 1.543 14.961 ( -0.495 -2.871 -1.639) 3.343 15.775 ( -0.048 2.731 4.481) 5.248 15.830 ( 0.185 -2.185 4.464) 4.974 16.045 ( -1.612 4.530 -2.971) 5.652 16.126 ( -2.430 -2.861 -5.362) 6.545 16.556 ( -1.767 -0.583 1.200) 2.215 16.564 ( -1.149 -1.369 0.698) 1.919 16.999 ( -2.309 2.281 -0.239) 3.254 17.021 ( -1.459 0.528 -0.385) 1.599 17.305 ( -0.378 -1.043 0.305) 1.150 17.324 ( -1.120 -3.009 0.396) 3.235 17.488 ( 1.610 -0.110 0.443) 1.673 17.493 ( 1.617 -0.494 1.989) 2.611 17.979 ( -1.345 6.215 2.679) 6.900 18.079 ( -0.283 -2.576 1.632) 3.062 18.216 ( -1.245 7.569 0.437) 7.683 18.376 ( -0.794 -6.663 -3.056) 7.373 18.617 ( -2.249 9.568 2.593) 10.165 18.829 ( -3.730 -10.047 3.104) 11.158 18.901 ( 2.283 6.098 -0.891) 6.572 19.013 ( -1.419 -3.538 -1.824) 4.226 19.297 ( -1.715 9.127 0.857) 9.326 19.485 ( -1.724 -5.628 -1.987) 6.212 19.570 ( 7.798 6.201 -0.678) 9.986 19.757 ( 6.564 -9.166 -1.612) 11.389 25.786 ( 0.201 1.539 -0.734) 1.716 25.819 ( 0.267 -0.828 -1.833) 2.029 26.034 ( 0.287 -0.181 1.889) 1.919 26.081 ( 0.095 -3.609 -0.832) 3.705 26.506 ( 0.765 0.417 0.095) 0.876 26.517 ( 0.904 -0.511 0.088) 1.042 26.558 ( 0.062 0.894 -0.842) 1.229 26.587 ( 0.742 -1.874 -1.219) 2.356 26.808 ( 2.415 3.100 2.380) 4.595 26.850 ( 2.358 -0.797 2.275) 3.372 26.936 ( 2.111 4.344 -3.376) 5.893 26.980 ( 0.271 0.606 -3.418) 3.482 27.130 ( -0.022 5.275 0.388) 5.289 27.188 ( 0.347 0.412 0.106) 0.549 27.205 ( -1.571 2.651 2.257) 3.820 27.289 ( -0.465 -2.983 -1.172) 3.238 27.562 ( -0.158 2.574 5.315) 5.907 27.602 ( -0.045 -0.415 4.241) 4.262 27.938 ( 2.524 2.026 3.578) 4.825 27.981 ( 3.170 -2.715 1.182) 4.338 28.052 ( 2.907 6.102 3.774) 7.741 28.199 ( 1.013 -6.159 -3.888) 7.354 28.475 ( -3.445 -1.250 -2.144) 4.246 28.508 ( -4.883 -4.561 -3.179) 7.400 29.027 ( -2.574 2.468 -7.337) 8.158 29.066 ( 0.128 -0.912 -6.633) 6.697 29.592 ( 7.358 -0.100 7.139) 10.253 29.626 ( 6.435 -3.113 5.842) 9.232 30.457 ( -2.367 4.352 3.863) 6.282 30.565 ( -3.997 -5.489 2.823) 7.353 30.772 ( -5.340 1.698 -7.616) 9.455 30.819 ( -7.002 -2.477 -6.586) 9.926 ======================= Grid point 82 (48/60) ======================= q-point: (-0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.725 20.122 8.428) 21.828 1.705 ( -13.430 15.844 9.604) 22.883 1.846 ( -0.155 -4.861 -8.590) 9.872 1.969 ( -5.503 -5.763 -4.272) 9.041 2.138 ( 1.701 -0.756 0.839) 2.042 2.177 ( 4.151 -7.950 -2.319) 9.263 2.389 ( 1.568 -3.244 -0.219) 3.609 2.409 ( 4.987 -3.843 -0.619) 6.327 2.528 ( -3.152 2.743 0.803) 4.255 2.596 ( -8.699 -1.450 -2.970) 9.306 2.736 ( -0.085 -2.847 -4.442) 5.277 2.767 ( -2.001 -3.865 -7.944) 9.058 2.809 ( -0.203 1.122 1.688) 2.038 2.876 ( -3.271 -2.719 2.844) 5.117 3.022 ( -1.193 4.441 1.480) 4.831 3.124 ( -1.613 2.331 -5.409) 6.107 3.135 ( 4.743 2.808 -2.105) 5.900 3.179 ( -0.093 -4.942 -0.288) 4.951 3.398 ( -2.081 9.812 8.486) 13.139 3.419 ( -1.664 1.427 0.414) 2.230 3.526 ( -2.366 4.027 1.852) 5.024 3.648 ( -4.040 0.153 0.243) 4.051 3.711 ( 2.640 3.379 2.076) 4.764 3.759 ( 3.231 3.397 -0.248) 4.694 3.829 ( 4.586 -0.534 -0.240) 4.623 3.923 ( -1.060 -8.656 3.238) 9.302 4.093 ( -0.455 1.676 7.193) 7.400 4.141 ( 2.386 -2.610 0.765) 3.617 4.311 ( 6.245 0.264 2.817) 6.856 4.395 ( 5.488 -5.817 1.939) 8.229 4.522 ( -1.096 2.744 -2.851) 4.107 4.597 ( -1.433 -3.293 1.225) 3.794 4.753 ( 1.015 9.244 -1.239) 9.382 4.788 ( -3.055 5.212 6.449) 8.837 4.916 ( 2.588 -2.287 1.131) 3.634 4.995 ( -0.061 -1.280 -1.603) 2.052 5.059 ( -0.068 12.327 -3.450) 12.801 5.206 ( 2.482 7.368 3.152) 8.389 5.277 ( 0.875 -5.429 -0.106) 5.500 5.316 ( -1.537 1.299 5.263) 5.634 5.381 ( 3.073 -5.110 4.316) 7.361 5.434 ( -0.971 -10.563 -0.473) 10.618 5.714 ( -0.811 2.415 1.227) 2.828 5.802 ( 1.984 -5.540 -0.392) 5.898 5.878 ( 1.064 3.562 2.443) 4.448 5.917 ( 2.455 -0.737 -2.299) 3.443 6.027 ( 2.042 0.121 -2.716) 3.400 6.055 ( 0.511 -1.648 -0.269) 1.746 6.146 ( -2.503 2.399 1.709) 3.865 6.168 ( 4.044 -0.150 1.383) 4.277 6.314 ( 4.223 3.311 3.035) 6.165 6.370 ( 2.735 -1.667 4.802) 5.772 6.485 ( -0.091 3.012 -6.436) 7.106 6.626 ( -0.314 -10.456 -7.324) 12.770 6.930 ( -1.450 1.453 -0.597) 2.138 6.968 ( -3.859 -1.013 4.429) 5.961 7.138 ( -0.684 4.211 -5.815) 7.212 7.225 ( -2.998 -4.193 -4.052) 6.556 7.390 ( 1.005 2.159 0.008) 2.381 7.444 ( -0.269 -2.503 -3.397) 4.228 7.861 ( -6.079 2.012 -2.090) 6.736 7.946 ( -5.083 -5.344 -4.044) 8.411 8.273 ( -3.845 0.951 1.021) 4.090 8.284 ( -4.624 0.055 0.681) 4.674 8.477 ( 0.725 2.735 0.957) 2.987 8.522 ( 2.815 -1.160 -3.408) 4.570 8.724 ( -0.309 3.380 1.977) 3.928 8.770 ( -2.867 -0.831 0.866) 3.108 9.375 ( -0.472 1.915 -0.972) 2.199 9.422 ( -3.211 -1.623 -0.422) 3.623 9.610 ( 0.601 0.927 -2.739) 2.954 9.639 ( -0.102 -1.520 -2.690) 3.092 9.755 ( 4.058 1.748 -2.658) 5.156 9.767 ( 1.545 2.027 -1.973) 3.223 9.838 ( 0.191 -0.362 1.108) 1.181 9.902 ( 0.162 -4.276 -2.152) 4.790 10.849 ( -0.390 2.192 -0.891) 2.398 10.903 ( -1.654 -3.004 -1.434) 3.717 11.167 ( 2.453 1.036 1.689) 3.154 11.213 ( 2.703 -3.127 1.892) 4.545 11.515 ( -0.733 1.402 2.879) 3.285 11.546 ( -1.035 0.214 -0.405) 1.132 11.600 ( -1.098 -1.882 -0.417) 2.218 11.639 ( -0.545 -3.936 -3.078) 5.027 12.400 ( -0.084 0.945 1.213) 1.540 12.433 ( -0.350 -1.979 0.766) 2.150 12.677 ( 0.649 0.844 0.695) 1.271 12.684 ( 0.253 0.197 1.138) 1.182 13.103 ( 1.991 1.493 0.675) 2.578 13.139 ( 2.031 -1.819 0.040) 2.727 13.303 ( -0.199 1.476 -0.629) 1.617 13.337 ( -0.924 -1.835 0.152) 2.060 14.255 ( 1.125 2.315 -0.056) 2.574 14.279 ( 1.543 0.127 -0.142) 1.555 14.424 ( -0.755 -0.281 0.902) 1.209 14.440 ( -0.627 -1.723 -1.105) 2.141 14.812 ( -0.501 2.437 2.722) 3.687 14.867 ( 0.298 -1.261 -1.332) 1.858 14.923 ( 0.909 0.026 -1.095) 1.423 14.955 ( 0.014 -3.414 -1.088) 3.583 15.785 ( 0.973 2.663 4.107) 4.990 15.837 ( 0.389 -2.121 3.808) 4.376 16.002 ( -2.365 3.676 -2.041) 4.824 16.069 ( -2.735 -2.455 -4.068) 5.482 16.521 ( -1.436 0.048 1.444) 2.037 16.544 ( -0.721 -2.093 0.453) 2.260 16.948 ( -2.182 2.371 0.224) 3.230 16.980 ( -2.010 -0.326 -0.419) 2.079 17.306 ( 0.589 -0.899 -0.178) 1.089 17.310 ( -0.349 -1.076 1.031) 1.531 17.519 ( 0.829 -0.748 1.624) 1.971 17.525 ( 1.491 -0.931 -0.249) 1.775 17.965 ( 0.004 6.424 4.714) 7.968 18.073 ( -0.123 -3.470 3.378) 4.844 18.194 ( -0.930 7.025 -0.505) 7.105 18.335 ( -2.627 -5.342 -2.432) 6.431 18.596 ( -0.273 5.591 1.953) 5.928 18.726 ( -5.231 -5.235 0.020) 7.401 18.932 ( 1.214 1.965 1.187) 2.597 18.988 ( -1.388 -2.394 0.814) 2.885 19.306 ( 1.760 11.915 1.044) 12.089 19.474 ( 0.611 -0.480 -4.165) 4.236 19.723 ( 6.443 1.874 0.375) 6.720 19.871 ( 4.397 -8.916 -2.650) 10.288 25.791 ( 0.235 1.402 -0.792) 1.627 25.821 ( -0.092 -0.597 -1.740) 1.842 26.043 ( 0.439 0.119 1.405) 1.477 26.092 ( 1.003 -3.529 -1.650) 4.023 26.524 ( 0.871 0.441 0.232) 1.004 26.530 ( 0.393 -0.093 0.293) 0.499 26.571 ( 1.131 0.943 -0.830) 1.690 26.611 ( 1.428 -2.739 -1.707) 3.529 26.861 ( 2.164 3.281 2.148) 4.479 26.904 ( 2.287 -0.804 2.053) 3.177 26.974 ( -0.444 2.963 -2.631) 3.987 26.976 ( 1.677 3.061 -2.334) 4.199 27.131 ( -0.017 5.873 -0.116) 5.875 27.163 ( -1.373 0.694 2.768) 3.167 27.203 ( 0.396 0.406 -0.823) 0.999 27.272 ( -1.155 -2.999 -2.589) 4.126 27.528 ( -2.757 3.400 4.266) 6.112 27.588 ( -1.735 -1.875 2.947) 3.900 27.944 ( -1.373 5.736 1.539) 6.096 28.042 ( 1.111 -2.913 0.021) 3.118 28.163 ( 5.497 1.353 4.293) 7.105 28.242 ( 4.603 -5.414 -0.077) 7.107 28.400 ( -3.029 -0.478 0.731) 3.152 28.467 ( 2.243 -6.209 3.146) 7.313 28.932 ( -6.133 4.823 -10.607) 13.167 29.038 ( -3.061 -4.782 -8.824) 10.492 29.778 ( 8.669 1.417 7.109) 11.300 29.819 ( 12.231 -2.268 6.370) 13.975 30.401 ( -2.393 1.952 0.130) 3.090 30.456 ( -5.463 -3.091 -1.072) 6.368 30.627 ( -8.184 1.119 -4.357) 9.339 30.657 ( -8.823 -1.408 -3.363) 9.546 ======================= Grid point 95 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.546 0.000 -22.153) 22.435 1.262 ( -3.546 0.000 22.153) 22.435 1.648 ( 0.696 0.000 -22.495) 22.506 1.648 ( -0.696 0.000 22.495) 22.506 2.330 ( 3.931 0.000 -4.628) 6.072 2.330 ( -3.931 0.000 4.628) 6.072 2.482 ( -0.048 0.000 -3.336) 3.337 2.482 ( 0.048 0.000 3.336) 3.337 2.548 ( 3.590 0.000 -17.160) 17.532 2.548 ( -3.590 0.000 17.160) 17.532 2.803 ( 2.233 0.000 -6.335) 6.717 2.803 ( -2.233 0.000 6.335) 6.717 2.917 ( -7.594 0.000 -11.518) 13.796 2.917 ( 7.594 0.000 11.518) 13.796 3.092 ( -1.253 0.000 -8.245) 8.339 3.092 ( 1.253 0.000 8.245) 8.339 3.149 ( 1.503 0.000 -2.855) 3.227 3.149 ( -1.503 0.000 2.855) 3.227 3.356 ( -3.003 0.000 0.624) 3.067 3.356 ( 3.003 0.000 -0.624) 3.067 3.486 ( 2.607 0.000 -1.829) 3.185 3.486 ( -2.607 0.000 1.829) 3.185 3.727 ( -3.054 0.000 -10.055) 10.509 3.727 ( 3.054 0.000 10.055) 10.509 3.895 ( 0.842 0.000 -5.545) 5.608 3.895 ( -0.842 0.000 5.545) 5.608 4.034 ( 0.760 0.000 -2.962) 3.058 4.034 ( -0.760 0.000 2.962) 3.058 4.356 ( 1.179 0.000 -2.894) 3.125 4.356 ( -1.179 0.000 2.894) 3.125 4.447 ( 5.028 0.000 -10.698) 11.821 4.447 ( -5.028 0.000 10.698) 11.821 4.698 ( 1.740 0.000 -10.950) 11.087 4.698 ( -1.740 0.000 10.950) 11.087 4.986 ( -1.004 0.000 -13.560) 13.597 4.986 ( 1.004 0.000 13.560) 13.597 5.138 ( 8.265 0.000 -4.618) 9.468 5.138 ( -8.265 0.000 4.618) 9.468 5.308 ( -2.058 0.000 -9.853) 10.066 5.308 ( 2.058 0.000 9.853) 10.066 5.419 ( -6.334 0.000 -9.316) 11.265 5.419 ( 6.334 0.000 9.316) 11.265 5.858 ( -4.330 0.000 -0.198) 4.335 5.858 ( 4.330 0.000 0.198) 4.335 5.919 ( 0.328 0.000 -1.209) 1.252 5.919 ( -0.328 0.000 1.209) 1.252 6.079 ( 1.959 0.000 -2.377) 3.081 6.079 ( -1.959 0.000 2.377) 3.081 6.151 ( -6.226 0.000 -6.516) 9.012 6.151 ( 6.226 0.000 6.516) 9.012 6.243 ( -3.926 0.000 -0.893) 4.026 6.243 ( 3.926 0.000 0.893) 4.026 6.897 ( -1.255 0.000 -6.171) 6.297 6.897 ( 1.255 0.000 6.171) 6.297 6.953 ( 3.848 0.000 -9.809) 10.537 6.953 ( -3.848 0.000 9.809) 10.537 7.198 ( -7.150 0.000 0.706) 7.185 7.198 ( 7.150 0.000 -0.706) 7.185 7.237 ( 3.198 0.000 -11.350) 11.792 7.237 ( -3.198 0.000 11.350) 11.792 7.902 ( 0.015 0.000 -1.907) 1.907 7.902 ( -0.015 0.000 1.907) 1.907 8.225 ( 2.558 0.000 -4.554) 5.223 8.225 ( -2.558 0.000 4.554) 5.223 8.451 ( 5.469 0.000 -6.705) 8.653 8.451 ( -5.469 0.000 6.705) 8.653 8.705 ( 0.656 0.000 -2.285) 2.377 8.705 ( -0.656 0.000 2.285) 2.377 9.401 ( 4.148 0.000 -4.757) 6.311 9.401 ( -4.148 0.000 4.757) 6.311 9.613 ( 2.424 0.000 -1.894) 3.076 9.613 ( -2.424 0.000 1.894) 3.076 9.679 ( 1.881 0.000 -5.886) 6.179 9.679 ( -1.881 0.000 5.886) 6.179 9.954 ( -2.021 0.000 -0.618) 2.113 9.954 ( 2.021 0.000 0.618) 2.113 10.859 ( -4.123 0.000 -2.275) 4.709 10.859 ( 4.123 0.000 2.275) 4.709 11.278 ( -4.247 0.000 -1.488) 4.500 11.278 ( 4.247 0.000 1.488) 4.500 11.605 ( -1.244 0.000 -1.688) 2.097 11.605 ( 1.244 0.000 1.688) 2.097 11.659 ( -1.363 0.000 -4.247) 4.461 11.659 ( 1.363 0.000 4.247) 4.461 12.449 ( -2.287 0.000 -1.471) 2.719 12.449 ( 2.287 0.000 1.471) 2.719 12.667 ( -1.002 0.000 -0.066) 1.004 12.667 ( 1.002 0.000 0.066) 1.004 13.121 ( -1.125 0.000 -0.695) 1.323 13.121 ( 1.125 0.000 0.695) 1.323 13.342 ( -4.453 0.000 -0.077) 4.454 13.342 ( 4.453 0.000 0.077) 4.454 14.190 ( -0.840 0.000 -1.792) 1.979 14.190 ( 0.840 0.000 1.792) 1.979 14.474 ( 0.958 0.000 -1.747) 1.992 14.474 ( -0.958 0.000 1.747) 1.992 14.909 ( 1.188 0.000 -1.815) 2.169 14.909 ( -1.188 0.000 1.815) 2.169 14.931 ( -5.190 0.000 -2.499) 5.761 14.931 ( 5.190 0.000 2.499) 5.761 15.802 ( -0.925 0.000 -1.969) 2.175 15.802 ( 0.925 0.000 1.969) 2.175 16.021 ( 2.116 0.000 -5.396) 5.796 16.021 ( -2.116 0.000 5.396) 5.796 16.575 ( 1.084 0.000 -3.703) 3.858 16.575 ( -1.084 0.000 3.703) 3.858 16.874 ( 2.694 0.000 -3.443) 4.372 16.874 ( -2.694 0.000 3.443) 4.372 17.369 ( 1.190 0.000 -1.942) 2.278 17.369 ( -1.190 0.000 1.942) 2.278 17.623 ( -2.504 0.000 -0.710) 2.603 17.623 ( 2.504 0.000 0.710) 2.603 17.912 ( -0.596 0.000 -8.012) 8.034 17.912 ( 0.596 0.000 8.012) 8.034 18.235 ( -1.142 0.000 -4.622) 4.761 18.235 ( 1.142 0.000 4.622) 4.761 18.627 ( 2.447 0.000 -4.194) 4.856 18.627 ( -2.447 0.000 4.194) 4.856 18.972 ( -5.766 0.000 0.831) 5.826 18.972 ( 5.766 0.000 -0.831) 5.826 19.092 ( 2.456 0.000 -5.819) 6.316 19.092 ( -2.456 0.000 5.819) 6.316 20.008 ( -3.480 0.000 -5.039) 6.124 20.008 ( 3.480 0.000 5.039) 6.124 25.780 ( 0.807 0.000 -0.564) 0.985 25.780 ( -0.807 0.000 0.564) 0.985 26.167 ( 0.697 0.000 -2.200) 2.308 26.167 ( -0.697 0.000 2.200) 2.308 26.532 ( 1.111 0.000 -1.572) 1.925 26.532 ( -1.111 0.000 1.572) 1.925 26.686 ( -3.302 0.000 -4.182) 5.328 26.686 ( 3.302 0.000 4.182) 5.328 26.712 ( -0.512 0.000 -0.420) 0.663 26.712 ( 0.512 0.000 0.420) 0.663 26.891 ( -3.564 0.000 0.749) 3.641 26.891 ( 3.564 0.000 -0.749) 3.641 27.020 ( -5.706 0.000 -5.029) 7.606 27.020 ( 5.706 0.000 5.029) 7.606 27.186 ( -0.142 0.000 -3.393) 3.396 27.186 ( 0.142 0.000 3.393) 3.396 27.552 ( -1.836 0.000 -4.306) 4.681 27.552 ( 1.836 0.000 4.306) 4.681 28.062 ( -1.864 0.000 -6.260) 6.532 28.062 ( 1.864 0.000 6.260) 6.532 28.215 ( 4.682 0.000 -7.108) 8.512 28.215 ( -4.682 0.000 7.108) 8.512 28.486 ( 4.512 0.000 -13.045) 13.803 28.486 ( -4.512 0.000 13.045) 13.803 29.065 ( 1.902 0.000 -2.924) 3.488 29.065 ( -1.902 0.000 2.924) 3.488 30.014 ( -3.188 0.000 -8.442) 9.024 30.014 ( 3.188 0.000 8.442) 9.024 30.362 ( 5.158 0.000 -2.650) 5.799 30.362 ( -5.158 0.000 2.650) 5.799 30.526 ( -4.052 0.000 0.746) 4.120 30.526 ( 4.052 0.000 -0.746) 4.120 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.794 0.000 20.708) 20.785 1.314 ( 2.978 0.000 -14.046) 14.358 1.771 ( 8.823 0.000 -22.156) 23.848 1.803 ( 12.232 0.000 15.281) 19.574 2.313 ( 3.737 0.000 0.181) 3.742 2.393 ( 1.405 0.000 9.890) 9.989 2.455 ( -2.951 0.000 -0.316) 2.968 2.478 ( -0.306 0.000 -9.608) 9.613 2.554 ( -0.133 0.000 13.708) 13.709 2.653 ( 4.848 0.000 -14.694) 15.473 2.733 ( -0.322 0.000 7.042) 7.050 2.746 ( -6.569 0.000 -7.837) 10.226 2.877 ( 5.915 0.000 -15.452) 16.546 2.965 ( -4.241 0.000 4.326) 6.058 3.007 ( -5.935 0.000 -2.478) 6.431 3.068 ( -8.672 0.000 -0.222) 8.675 3.163 ( -0.681 0.000 -4.305) 4.359 3.172 ( 7.103 0.000 15.514) 17.063 3.320 ( 1.227 0.000 1.460) 1.907 3.375 ( -4.753 0.000 -0.582) 4.788 3.394 ( -1.830 0.000 2.053) 2.750 3.461 ( 2.945 0.000 -5.829) 6.530 3.730 ( -10.152 0.000 10.037) 14.275 3.732 ( -2.170 0.000 -5.415) 5.833 3.831 ( -1.423 0.000 -3.075) 3.388 3.881 ( 7.212 0.000 8.722) 11.318 4.100 ( 2.462 0.000 1.095) 2.694 4.170 ( 8.215 0.000 0.567) 8.235 4.300 ( -5.839 0.000 0.075) 5.839 4.348 ( -3.139 0.000 8.263) 8.839 4.394 ( 3.234 0.000 -4.596) 5.619 4.499 ( 1.187 0.000 -6.565) 6.671 4.680 ( -0.150 0.000 11.791) 11.792 4.718 ( -1.386 0.000 -12.529) 12.605 4.872 ( -9.451 0.000 0.747) 9.480 4.953 ( -5.133 0.000 11.463) 12.560 5.039 ( 1.882 0.000 -9.677) 9.858 5.262 ( -1.681 0.000 -11.001) 11.129 5.263 ( 5.314 0.000 -1.180) 5.444 5.322 ( -1.483 0.000 9.373) 9.489 5.349 ( -1.334 0.000 -8.353) 8.459 5.564 ( 5.528 0.000 8.179) 9.872 5.770 ( -4.050 0.000 -4.555) 6.095 5.860 ( -4.711 0.000 0.345) 4.724 5.878 ( -3.334 0.000 5.402) 6.348 5.944 ( 3.726 0.000 -1.756) 4.119 5.987 ( -3.896 0.000 6.473) 7.555 6.124 ( -7.030 0.000 -3.270) 7.753 6.166 ( 4.440 0.000 -6.822) 8.140 6.179 ( 5.186 0.000 0.170) 5.189 6.205 ( 1.051 0.000 -6.444) 6.529 6.331 ( 3.508 0.000 1.447) 3.795 6.856 ( -5.157 0.000 0.206) 5.161 6.876 ( -1.240 0.000 5.522) 5.659 6.903 ( -4.485 0.000 7.553) 8.784 7.009 ( -1.371 0.000 -10.666) 10.753 7.042 ( 0.961 0.000 0.399) 1.041 7.156 ( -0.687 0.000 7.628) 7.658 7.372 ( 6.446 0.000 6.340) 9.041 7.376 ( 8.070 0.000 -9.444) 12.422 7.941 ( 3.257 0.000 1.685) 3.667 7.960 ( 5.669 0.000 -1.454) 5.853 8.206 ( 0.834 0.000 4.940) 5.010 8.278 ( 1.563 0.000 -2.299) 2.780 8.380 ( -0.965 0.000 6.859) 6.926 8.538 ( 1.492 0.000 -7.077) 7.232 8.711 ( 0.941 0.000 2.026) 2.234 8.742 ( 3.442 0.000 -8.105) 8.806 9.342 ( -1.747 0.000 3.588) 3.991 9.470 ( 0.547 0.000 -2.495) 2.554 9.562 ( -0.525 0.000 1.470) 1.561 9.625 ( -1.260 0.000 -3.689) 3.898 9.646 ( -1.528 0.000 5.393) 5.605 9.707 ( 0.646 0.000 -5.150) 5.190 9.917 ( -0.993 0.000 -0.544) 1.132 9.984 ( 0.869 0.000 1.111) 1.411 10.799 ( -1.203 0.000 -0.949) 1.532 10.930 ( 2.355 0.000 3.458) 4.184 11.195 ( -3.608 0.000 -0.538) 3.648 11.337 ( 0.734 0.000 0.196) 0.760 11.592 ( 0.466 0.000 -3.311) 3.344 11.628 ( 0.871 0.000 -3.777) 3.876 11.636 ( -0.056 0.000 1.831) 1.832 11.678 ( 0.366 0.000 5.576) 5.588 12.413 ( -1.019 0.000 -0.686) 1.229 12.485 ( 0.855 0.000 1.624) 1.835 12.647 ( -0.872 0.000 -0.398) 0.959 12.684 ( 0.634 0.000 -0.371) 0.735 13.086 ( -2.313 0.000 -0.570) 2.382 13.129 ( -0.820 0.000 1.342) 1.573 13.284 ( -0.303 0.000 -1.028) 1.072 13.427 ( 3.442 0.000 -0.551) 3.486 14.179 ( -0.165 0.000 -1.210) 1.222 14.209 ( 0.867 0.000 1.653) 1.867 14.452 ( -1.285 0.000 2.373) 2.699 14.485 ( 0.034 0.000 -1.829) 1.829 14.829 ( -3.940 0.000 1.749) 4.311 14.881 ( -1.443 0.000 1.424) 2.027 14.939 ( 1.335 0.000 -2.088) 2.478 15.012 ( 1.844 0.000 3.229) 3.719 15.768 ( -1.817 0.000 -3.077) 3.574 15.807 ( -0.253 0.000 1.426) 1.449 16.009 ( 0.882 0.000 5.518) 5.589 16.069 ( 2.263 0.000 -6.736) 7.106 16.570 ( 0.495 0.000 3.721) 3.754 16.607 ( 1.961 0.000 -2.586) 3.245 16.855 ( 0.864 0.000 2.693) 2.828 16.936 ( 2.769 0.000 -3.438) 4.414 17.375 ( 1.916 0.000 0.892) 2.113 17.409 ( 2.571 0.000 -2.583) 3.645 17.545 ( -4.417 0.000 2.059) 4.873 17.622 ( -2.655 0.000 2.363) 3.554 17.870 ( -2.312 0.000 -8.509) 8.818 17.905 ( -0.834 0.000 5.977) 6.035 18.232 ( 0.937 0.000 -4.668) 4.762 18.268 ( 1.919 0.000 4.859) 5.224 18.630 ( -4.311 0.000 -2.888) 5.189 18.668 ( 6.938 0.000 2.076) 7.242 18.833 ( -7.923 0.000 1.166) 8.008 19.085 ( 4.025 0.000 1.847) 4.428 19.142 ( 9.440 0.000 -2.710) 9.821 19.175 ( 4.720 0.000 -5.097) 6.946 19.882 ( -8.649 0.000 -3.990) 9.525 20.014 ( -2.934 0.000 5.199) 5.970 25.765 ( -0.498 0.000 -0.127) 0.514 25.791 ( 0.168 0.000 -0.427) 0.459 26.166 ( 0.471 0.000 1.822) 1.882 26.192 ( 1.792 0.000 -2.787) 3.314 26.509 ( -0.991 0.000 1.579) 1.864 26.546 ( 0.247 0.000 -1.419) 1.441 26.613 ( -3.477 0.000 -3.574) 4.986 26.689 ( -1.718 0.000 -0.813) 1.901 26.692 ( -1.900 0.000 2.956) 3.514 26.744 ( 0.633 0.000 0.620) 0.886 26.820 ( -2.220 0.000 1.314) 2.580 26.908 ( -4.190 0.000 -2.300) 4.780 26.948 ( 1.661 0.000 -0.386) 1.705 27.109 ( 2.269 0.000 7.394) 7.734 27.198 ( 1.309 0.000 -3.151) 3.412 27.205 ( 1.449 0.000 3.076) 3.400 27.513 ( -1.152 0.000 -2.810) 3.036 27.564 ( -0.610 0.000 3.780) 3.829 27.992 ( -3.685 0.000 -8.230) 9.018 28.028 ( -3.479 0.000 4.589) 5.759 28.153 ( -1.622 0.000 12.471) 12.576 28.269 ( 0.872 0.000 -6.185) 6.246 28.511 ( 5.311 0.000 13.830) 14.815 28.607 ( 3.844 0.000 -4.686) 6.061 29.001 ( -2.513 0.000 -3.482) 4.295 29.032 ( -4.747 0.000 -4.840) 6.779 29.895 ( -6.403 0.000 -4.236) 7.677 29.902 ( -10.816 0.000 0.699) 10.838 30.353 ( 4.940 0.000 7.422) 8.916 30.396 ( 1.424 0.000 -2.674) 3.030 30.610 ( 8.327 0.000 2.320) 8.644 30.759 ( 12.662 0.000 -7.752) 14.847 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 8.010 0.000 10.112) 12.900 1.403 ( 6.082 0.000 -9.817) 11.548 1.911 ( 4.023 0.000 -12.600) 13.227 1.987 ( 3.210 0.000 9.055) 9.607 2.284 ( -6.318 0.000 -1.666) 6.533 2.341 ( -4.981 0.000 3.359) 6.008 2.458 ( 5.752 0.000 0.369) 5.764 2.465 ( -0.983 0.000 2.644) 2.821 2.633 ( 5.334 0.000 0.221) 5.339 2.633 ( -3.971 0.000 -2.874) 4.902 2.661 ( -4.059 0.000 -2.322) 4.676 2.715 ( -4.862 0.000 -1.952) 5.240 2.824 ( -8.841 0.000 -0.130) 8.842 2.987 ( 5.387 0.000 3.701) 6.536 2.988 ( 2.260 0.000 1.165) 2.543 3.053 ( 12.806 0.000 -12.979) 18.234 3.136 ( -0.904 0.000 -2.759) 2.904 3.224 ( -2.255 0.000 6.796) 7.160 3.258 ( -7.650 0.000 -1.063) 7.723 3.394 ( 2.999 0.000 7.459) 8.039 3.483 ( 6.207 0.000 3.137) 6.955 3.559 ( 5.861 0.000 -9.177) 10.889 3.597 ( 2.697 0.000 12.955) 13.233 3.675 ( -1.002 0.000 -2.861) 3.032 3.835 ( 2.341 0.000 -6.771) 7.164 3.931 ( -4.871 0.000 5.716) 7.510 4.072 ( -4.848 0.000 2.709) 5.553 4.109 ( -8.718 0.000 5.932) 10.545 4.311 ( 3.513 0.000 3.177) 4.736 4.342 ( 0.464 0.000 -3.987) 4.014 4.502 ( 3.913 0.000 -3.079) 4.980 4.527 ( 0.603 0.000 -1.112) 1.265 4.544 ( -6.578 0.000 -9.889) 11.877 4.692 ( 0.503 0.000 9.102) 9.116 4.808 ( -7.501 0.000 7.225) 10.415 4.809 ( -0.702 0.000 -9.310) 9.336 5.136 ( 5.343 0.000 -7.750) 9.413 5.248 ( 1.677 0.000 -9.947) 10.088 5.251 ( -5.089 0.000 14.818) 15.667 5.357 ( 2.959 0.000 -8.440) 8.944 5.363 ( 3.893 0.000 1.686) 4.243 5.584 ( -4.002 0.000 7.130) 8.177 5.709 ( -1.685 0.000 -3.505) 3.889 5.763 ( -2.850 0.000 1.357) 3.157 5.812 ( -3.170 0.000 3.271) 4.555 5.870 ( -9.277 0.000 -5.856) 10.971 6.045 ( 0.941 0.000 3.518) 3.641 6.060 ( 7.171 0.000 4.491) 8.461 6.156 ( -2.708 0.000 0.929) 2.863 6.272 ( 5.654 0.000 -1.351) 5.813 6.312 ( 2.248 0.000 -5.299) 5.756 6.326 ( -1.300 0.000 -4.052) 4.256 6.704 ( -7.194 0.000 6.515) 9.705 6.759 ( -8.224 0.000 -0.944) 8.278 6.931 ( 5.566 0.000 6.474) 8.538 7.031 ( 2.177 0.000 -9.112) 9.368 7.091 ( 2.026 0.000 -5.717) 6.066 7.149 ( -1.185 0.000 10.416) 10.483 7.480 ( 4.193 0.000 4.648) 6.260 7.512 ( 4.639 0.000 -6.326) 7.845 8.023 ( 4.966 0.000 1.320) 5.139 8.092 ( 6.196 0.000 -1.666) 6.416 8.269 ( 5.226 0.000 1.588) 5.462 8.277 ( -0.264 0.000 2.631) 2.644 8.408 ( 1.832 0.000 6.124) 6.392 8.484 ( -5.849 0.000 -4.108) 7.147 8.731 ( 1.125 0.000 4.850) 4.979 8.806 ( 1.755 0.000 -13.888) 13.999 9.322 ( -0.716 0.000 1.106) 1.318 9.402 ( -4.825 0.000 3.079) 5.723 9.581 ( -1.846 0.000 -3.796) 4.221 9.596 ( 0.405 0.000 -0.200) 0.451 9.633 ( 1.181 0.000 5.303) 5.433 9.699 ( -1.110 0.000 -4.810) 4.937 9.930 ( 1.956 0.000 -1.408) 2.410 9.989 ( -0.364 0.000 1.649) 1.688 10.817 ( 2.726 0.000 -1.320) 3.029 10.941 ( -1.462 0.000 3.050) 3.383 11.154 ( 0.074 0.000 1.185) 1.188 11.294 ( -4.321 0.000 -1.789) 4.676 11.623 ( 2.256 0.000 -3.438) 4.112 11.644 ( 0.993 0.000 -5.785) 5.869 11.658 ( 1.372 0.000 4.164) 4.384 11.679 ( -0.326 0.000 5.836) 5.845 12.413 ( 0.956 0.000 -0.324) 1.010 12.480 ( -1.300 0.000 1.240) 1.797 12.638 ( 0.209 0.000 -0.546) 0.585 12.684 ( -0.790 0.000 -0.262) 0.832 13.044 ( -1.306 0.000 -1.684) 2.131 13.086 ( -2.754 0.000 1.722) 3.248 13.335 ( 4.418 0.000 -0.897) 4.508 13.460 ( -0.231 0.000 -0.360) 0.428 14.186 ( 0.904 0.000 -0.495) 1.031 14.220 ( 0.057 0.000 0.776) 0.778 14.432 ( -0.511 0.000 3.229) 3.269 14.471 ( -1.343 0.000 -2.625) 2.948 14.784 ( -0.597 0.000 4.669) 4.707 14.848 ( -2.021 0.000 -1.251) 2.377 14.960 ( 0.853 0.000 -1.935) 2.115 15.004 ( -1.783 0.000 1.156) 2.125 15.753 ( 0.411 0.000 -2.341) 2.377 15.796 ( -0.901 0.000 1.272) 1.559 16.046 ( 2.180 0.000 6.788) 7.129 16.095 ( 0.497 0.000 -7.981) 7.996 16.593 ( 1.606 0.000 2.535) 3.001 16.635 ( 0.605 0.000 -1.274) 1.411 16.897 ( 2.650 0.000 2.216) 3.455 16.964 ( 0.101 0.000 -2.104) 2.106 17.431 ( 2.897 0.000 0.411) 2.926 17.454 ( 1.660 0.000 -2.595) 3.081 17.483 ( -1.370 0.000 2.435) 2.794 17.550 ( -3.622 0.000 0.468) 3.652 17.852 ( 0.599 0.000 -6.090) 6.119 17.893 ( -0.561 0.000 4.204) 4.241 18.264 ( 2.430 0.000 -5.524) 6.035 18.315 ( 2.608 0.000 6.239) 6.762 18.504 ( -6.359 0.000 -2.006) 6.668 18.639 ( -9.188 0.000 3.685) 9.899 18.890 ( 11.611 0.000 0.673) 11.630 19.125 ( 0.371 0.000 3.603) 3.622 19.261 ( 4.338 0.000 -2.554) 5.034 19.368 ( 9.485 0.000 -9.884) 13.699 19.701 ( -7.414 0.000 -1.709) 7.609 19.906 ( -7.685 0.000 4.992) 9.164 25.763 ( 0.273 0.000 -0.738) 0.787 25.786 ( -0.526 0.000 0.390) 0.655 26.185 ( 1.367 0.000 1.647) 2.140 26.223 ( 0.835 0.000 -2.640) 2.769 26.500 ( 0.084 0.000 1.414) 1.417 26.538 ( -1.021 0.000 -0.990) 1.422 26.561 ( -1.231 0.000 -3.220) 3.447 26.636 ( -3.432 0.000 2.683) 4.356 26.655 ( -1.266 0.000 0.291) 1.299 26.699 ( -3.163 0.000 -0.167) 3.168 26.832 ( 1.556 0.000 2.513) 2.956 26.859 ( -0.707 0.000 -3.107) 3.187 26.981 ( 1.856 0.000 -1.338) 2.288 27.098 ( -2.926 0.000 6.185) 6.842 27.230 ( 1.567 0.000 -3.096) 3.470 27.234 ( 1.168 0.000 2.819) 3.051 27.520 ( 1.482 0.000 0.062) 1.484 27.551 ( -0.458 0.000 2.084) 2.134 27.938 ( -1.218 0.000 -6.734) 6.843 27.983 ( -1.746 0.000 4.114) 4.470 28.134 ( -0.174 0.000 14.132) 14.133 28.245 ( -3.062 0.000 -10.444) 10.883 28.613 ( -0.616 0.000 -1.040) 1.209 28.625 ( 3.847 0.000 9.665) 10.403 28.930 ( -3.496 0.000 -1.554) 3.826 28.980 ( -0.958 0.000 -6.574) 6.643 29.746 ( -4.191 0.000 -3.544) 5.489 29.783 ( -4.578 0.000 -0.145) 4.580 30.442 ( 2.721 0.000 -5.615) 6.240 30.447 ( 3.277 0.000 10.282) 10.792 30.789 ( 8.551 0.000 5.152) 9.983 30.925 ( 3.929 0.000 -9.162) 9.969 ======================= Grid point 99 (52/60) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.631 0.000 -1.683) 2.343 1.483 ( 1.631 0.000 1.683) 2.343 1.915 ( -2.813 0.000 -2.790) 3.962 1.915 ( 2.813 0.000 2.790) 3.962 2.334 ( 7.205 0.000 -3.325) 7.935 2.334 ( -7.205 0.000 3.325) 7.935 2.439 ( -9.071 0.000 -6.713) 11.285 2.439 ( 9.071 0.000 6.713) 11.285 2.569 ( -3.023 0.000 -0.385) 3.047 2.569 ( 3.023 0.000 0.385) 3.047 2.656 ( -4.242 0.000 -0.723) 4.303 2.656 ( 4.242 0.000 0.723) 4.303 2.952 ( 14.216 0.000 -6.330) 15.562 2.952 ( -14.216 0.000 6.330) 15.562 3.036 ( 1.013 0.000 -0.813) 1.299 3.036 ( -1.013 0.000 0.813) 1.299 3.169 ( -2.099 0.000 -0.008) 2.099 3.169 ( 2.099 0.000 0.008) 2.099 3.353 ( 9.829 0.000 -8.432) 12.950 3.353 ( -9.829 0.000 8.432) 12.950 3.555 ( -5.686 0.000 -8.852) 10.521 3.555 ( 5.686 0.000 8.852) 10.521 3.735 ( 6.889 0.000 -7.070) 9.871 3.735 ( -6.889 0.000 7.070) 9.871 3.868 ( -10.911 0.000 -0.065) 10.911 3.868 ( 10.911 0.000 0.065) 10.911 3.979 ( 5.450 0.000 -12.392) 13.538 3.979 ( -5.450 0.000 12.392) 13.538 4.319 ( 0.902 0.000 -6.774) 6.833 4.319 ( -0.902 0.000 6.774) 6.833 4.479 ( 3.009 0.000 -3.650) 4.730 4.479 ( -3.009 0.000 3.650) 4.730 4.656 ( 5.112 0.000 -7.152) 8.791 4.656 ( -5.112 0.000 7.152) 8.791 4.769 ( -2.246 0.000 -7.800) 8.117 4.769 ( 2.246 0.000 7.800) 8.117 5.176 ( 1.946 0.000 -15.565) 15.686 5.176 ( -1.946 0.000 15.565) 15.686 5.359 ( 5.464 0.000 -3.230) 6.347 5.359 ( -5.464 0.000 3.230) 6.347 5.458 ( 6.809 0.000 -8.217) 10.671 5.458 ( -6.809 0.000 8.217) 10.671 5.716 ( 3.130 0.000 -3.223) 4.492 5.716 ( -3.130 0.000 3.223) 4.492 5.766 ( 1.073 0.000 -4.765) 4.884 5.766 ( -1.073 0.000 4.765) 4.884 6.092 ( 3.402 0.000 -1.604) 3.761 6.092 ( -3.402 0.000 1.604) 3.761 6.206 ( -6.705 0.000 -6.195) 9.129 6.206 ( 6.705 0.000 6.195) 9.129 6.360 ( -1.542 0.000 -4.440) 4.700 6.360 ( 1.542 0.000 4.440) 4.700 6.638 ( -1.736 0.000 -5.239) 5.519 6.638 ( 1.736 0.000 5.239) 5.519 7.032 ( -2.824 0.000 -7.424) 7.943 7.032 ( 2.824 0.000 7.424) 7.943 7.119 ( 1.607 0.000 -8.880) 9.024 7.119 ( -1.607 0.000 8.880) 9.024 7.538 ( -1.376 0.000 -3.405) 3.672 7.538 ( 1.376 0.000 3.405) 3.672 8.120 ( -3.498 0.000 -1.029) 3.646 8.120 ( 3.498 0.000 1.029) 3.646 8.338 ( -5.388 0.000 -2.854) 6.097 8.338 ( 5.388 0.000 2.854) 6.097 8.390 ( 3.303 0.000 -4.113) 5.275 8.390 ( -3.303 0.000 4.113) 5.275 8.780 ( -3.240 0.000 -10.403) 10.896 8.780 ( 3.240 0.000 10.403) 10.896 9.328 ( 2.102 0.000 -2.671) 3.399 9.328 ( -2.102 0.000 2.671) 3.399 9.577 ( 1.124 0.000 -2.299) 2.559 9.577 ( -1.124 0.000 2.299) 2.559 9.670 ( -1.607 0.000 -4.592) 4.865 9.670 ( 1.607 0.000 4.592) 4.865 9.970 ( 1.645 0.000 -1.914) 2.524 9.970 ( -1.645 0.000 1.914) 2.524 10.885 ( 3.665 0.000 -2.131) 4.239 10.885 ( -3.665 0.000 2.131) 4.239 11.202 ( -4.151 0.000 -2.246) 4.720 11.202 ( 4.151 0.000 2.246) 4.720 11.654 ( -0.334 0.000 -0.738) 0.810 11.654 ( 0.334 0.000 0.738) 0.810 11.673 ( 0.189 0.000 -1.585) 1.597 11.673 ( -0.189 0.000 1.585) 1.597 12.444 ( -1.980 0.000 0.657) 2.087 12.444 ( 1.980 0.000 -0.657) 2.087 12.657 ( -1.518 0.000 0.297) 1.547 12.657 ( 1.518 0.000 -0.297) 1.547 13.044 ( 1.258 0.000 -2.286) 2.609 13.044 ( -1.258 0.000 2.286) 2.609 13.420 ( -3.550 0.000 0.303) 3.563 13.420 ( 3.550 0.000 -0.303) 3.563 14.208 ( -1.103 0.000 0.204) 1.121 14.208 ( 1.103 0.000 -0.204) 1.121 14.441 ( -1.254 0.000 -3.386) 3.611 14.441 ( 1.254 0.000 3.386) 3.611 14.803 ( -2.035 0.000 -4.766) 5.183 14.803 ( 2.035 0.000 4.766) 5.183 14.976 ( 0.954 0.000 -1.535) 1.807 14.976 ( -0.954 0.000 1.535) 1.807 15.773 ( 1.323 0.000 -1.414) 1.937 15.773 ( -1.323 0.000 1.414) 1.937 16.085 ( -1.302 0.000 -7.980) 8.086 16.085 ( 1.302 0.000 7.980) 8.086 16.626 ( -1.361 0.000 -1.211) 1.822 16.626 ( 1.361 0.000 1.211) 1.822 16.944 ( -1.853 0.000 -1.678) 2.500 16.944 ( 1.853 0.000 1.678) 2.500 17.465 ( -0.566 0.000 -0.393) 0.689 17.465 ( 0.566 0.000 0.393) 0.689 17.495 ( -1.910 0.000 -2.438) 3.097 17.495 ( 1.910 0.000 2.438) 3.097 17.875 ( 1.412 0.000 -4.222) 4.452 17.875 ( -1.412 0.000 4.222) 4.452 18.323 ( 3.040 0.000 -8.466) 8.995 18.323 ( -3.040 0.000 8.466) 8.995 18.479 ( 5.482 0.000 -5.329) 7.645 18.479 ( -5.482 0.000 5.329) 7.645 19.080 ( -5.961 0.000 1.936) 6.267 19.080 ( 5.961 0.000 -1.936) 6.267 19.367 ( -6.350 0.000 -4.470) 7.765 19.367 ( 6.350 0.000 4.470) 7.765 19.734 ( 8.721 0.000 -3.852) 9.534 19.734 ( -8.721 0.000 3.852) 9.534 25.773 ( 0.689 0.000 -0.866) 1.107 25.773 ( -0.689 0.000 0.866) 1.107 26.215 ( -1.321 0.000 -1.828) 2.256 26.215 ( 1.321 0.000 1.828) 2.256 26.513 ( -1.149 0.000 -1.070) 1.570 26.513 ( 1.149 0.000 1.070) 1.570 26.574 ( 2.415 0.000 -2.791) 3.691 26.574 ( -2.415 0.000 2.791) 3.691 26.653 ( -1.200 0.000 -0.243) 1.225 26.653 ( 1.200 0.000 0.243) 1.225 26.853 ( -0.405 0.000 -3.344) 3.369 26.853 ( 0.405 0.000 3.344) 3.369 27.031 ( 3.337 0.000 -3.763) 5.030 27.031 ( -3.337 0.000 3.763) 5.030 27.247 ( 0.091 0.000 -2.937) 2.938 27.247 ( -0.091 0.000 2.937) 2.938 27.544 ( -0.600 0.000 0.177) 0.626 27.544 ( 0.600 0.000 -0.177) 0.626 27.945 ( 1.763 0.000 -4.113) 4.475 27.945 ( -1.763 0.000 4.113) 4.475 28.170 ( -3.282 0.000 -14.225) 14.599 28.170 ( 3.282 0.000 14.225) 14.599 28.632 ( 1.943 0.000 -2.043) 2.819 28.632 ( -1.943 0.000 2.043) 2.819 28.936 ( -2.749 0.000 -5.441) 6.096 28.936 ( 2.749 0.000 5.441) 6.096 29.722 ( 1.366 0.000 -2.817) 3.130 29.722 ( -1.366 0.000 2.817) 3.130 30.477 ( 0.502 0.000 -8.793) 8.807 30.477 ( -0.502 0.000 8.793) 8.807 30.919 ( -3.854 0.000 -7.554) 8.480 30.919 ( 3.854 0.000 7.554) 8.480 ======================= Grid point 103 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 3.677 11.902 -18.359) 22.187 1.399 ( -3.677 11.902 18.359) 22.187 1.662 ( -1.186 2.673 -22.163) 22.355 1.662 ( 1.186 2.673 22.163) 22.355 2.351 ( 1.037 -0.533 -4.188) 4.347 2.351 ( -1.037 -0.533 4.188) 4.347 2.421 ( -1.845 -3.957 -2.996) 5.295 2.421 ( 1.845 -3.957 2.996) 5.295 2.571 ( -1.249 -1.559 -8.502) 8.734 2.571 ( 1.249 -1.559 8.502) 8.734 2.787 ( -3.311 -4.193 -2.393) 5.854 2.787 ( 3.311 -4.193 2.393) 5.854 2.877 ( 3.284 1.576 -4.938) 6.136 2.877 ( -3.284 1.576 4.938) 6.136 3.078 ( -1.329 -0.739 -6.784) 6.952 3.078 ( 1.329 -0.739 6.784) 6.952 3.219 ( 0.453 1.030 -3.497) 3.673 3.219 ( -0.453 1.030 3.497) 3.673 3.328 ( -8.248 -4.620 -3.243) 9.995 3.328 ( 8.248 -4.620 3.243) 9.995 3.408 ( 2.686 4.006 -6.122) 7.794 3.408 ( -2.686 4.006 6.122) 7.794 3.750 ( 4.343 2.048 -7.961) 9.297 3.750 ( -4.343 2.048 7.961) 9.297 3.927 ( -5.382 1.132 1.082) 5.606 3.927 ( 5.382 1.132 -1.082) 5.606 4.108 ( 3.185 4.825 -5.592) 8.044 4.108 ( -3.185 4.825 5.592) 8.044 4.349 ( 2.252 0.403 -4.038) 4.641 4.349 ( -2.252 0.403 4.038) 4.641 4.568 ( -0.887 4.351 -5.751) 7.266 4.568 ( 0.887 4.351 5.751) 7.266 4.675 ( 0.675 3.023 -3.984) 5.047 4.675 ( -0.675 3.023 3.984) 5.047 4.940 ( -2.379 -2.639 -5.773) 6.779 4.940 ( 2.379 -2.639 5.773) 6.779 5.204 ( 7.284 5.182 -4.102) 9.836 5.204 ( -7.284 5.182 4.102) 9.836 5.294 ( -4.512 -3.932 -9.817) 11.497 5.294 ( 4.512 -3.932 9.817) 11.497 5.430 ( -2.554 1.250 -3.827) 4.768 5.430 ( 2.554 1.250 3.827) 4.768 5.819 ( 1.032 -3.442 -5.443) 6.522 5.819 ( -1.032 -3.442 5.443) 6.522 5.913 ( -2.612 0.519 -1.615) 3.115 5.913 ( 2.612 0.519 1.615) 3.115 6.060 ( 4.474 -0.560 -7.031) 8.352 6.060 ( -4.474 -0.560 7.031) 8.352 6.140 ( -4.011 -0.944 -6.769) 7.924 6.140 ( 4.011 -0.944 6.769) 7.924 6.329 ( -0.917 6.376 -2.670) 6.973 6.329 ( 0.917 6.376 2.670) 6.973 6.741 ( -1.193 -12.870 -6.529) 14.481 6.741 ( 1.193 -12.870 6.529) 14.481 6.984 ( -1.507 -0.287 -3.736) 4.038 6.984 ( 1.507 -0.287 3.736) 4.038 7.030 ( 0.205 -2.110 -8.227) 8.496 7.030 ( -0.205 -2.110 8.227) 8.496 7.420 ( -4.991 6.115 -1.769) 8.089 7.420 ( 4.991 6.115 1.769) 8.089 7.848 ( -2.390 -4.642 -5.332) 7.463 7.848 ( 2.390 -4.642 5.332) 7.463 8.229 ( 2.742 0.278 -3.415) 4.389 8.229 ( -2.742 0.278 3.415) 4.389 8.485 ( 3.730 2.514 -5.011) 6.734 8.485 ( -3.730 2.514 5.011) 6.734 8.716 ( -0.377 1.184 -1.287) 1.789 8.716 ( 0.377 1.184 1.287) 1.789 9.379 ( 3.217 -1.261 -3.261) 4.751 9.379 ( -3.217 -1.261 3.261) 4.751 9.626 ( -0.661 -0.340 -0.749) 1.055 9.626 ( 0.661 -0.340 0.749) 1.055 9.703 ( 3.790 2.678 -4.738) 6.632 9.703 ( -3.790 2.678 4.738) 6.632 9.925 ( -0.472 -2.382 -1.726) 2.979 9.925 ( 0.472 -2.382 1.726) 2.979 10.857 ( -3.291 -0.199 -1.581) 3.656 10.857 ( 3.291 -0.199 1.581) 3.656 11.263 ( -3.347 -1.166 -1.548) 3.867 11.263 ( 3.347 -1.166 1.548) 3.867 11.577 ( -0.866 -2.125 -1.853) 2.949 11.577 ( 0.866 -2.125 1.853) 2.949 11.626 ( -0.428 -2.608 -4.039) 4.827 11.626 ( 0.428 -2.608 4.039) 4.827 12.439 ( -1.520 -0.773 -1.257) 2.118 12.439 ( 1.520 -0.773 1.257) 2.118 12.678 ( -0.475 0.871 -0.063) 0.994 12.678 ( 0.475 0.871 0.063) 0.994 13.135 ( -1.353 1.118 -1.480) 2.296 13.135 ( 1.353 1.118 1.480) 2.296 13.328 ( -3.354 -1.193 -0.448) 3.588 13.328 ( 3.354 -1.193 0.448) 3.588 14.224 ( -0.660 2.795 -1.705) 3.340 14.224 ( 0.660 2.795 1.705) 3.340 14.455 ( 1.144 -1.695 -1.607) 2.601 14.455 ( -1.144 -1.695 1.607) 2.601 14.863 ( 1.498 -2.086 -2.686) 3.716 14.863 ( -1.498 -2.086 2.686) 3.716 14.950 ( -2.252 -0.087 -1.622) 2.776 14.950 ( 2.252 -0.087 1.622) 2.776 15.823 ( -0.691 1.797 -2.363) 3.048 15.823 ( 0.691 1.797 2.363) 3.048 16.005 ( 1.307 -1.299 -4.874) 5.210 16.005 ( -1.307 -1.299 4.874) 5.210 16.556 ( 0.516 -1.358 -2.782) 3.138 16.556 ( -0.516 -1.358 2.782) 3.138 16.907 ( 0.829 2.301 -2.452) 3.463 16.907 ( -0.829 2.301 2.452) 3.463 17.346 ( 1.433 -1.757 -1.511) 2.725 17.346 ( -1.433 -1.757 1.511) 2.725 17.579 ( 0.448 -2.863 -0.843) 3.018 17.579 ( -0.448 -2.863 0.843) 3.018 17.978 ( -0.148 4.833 -6.956) 8.472 17.978 ( 0.148 4.833 6.956) 8.472 18.241 ( -1.698 0.256 -5.272) 5.545 18.241 ( 1.698 0.256 5.272) 5.545 18.618 ( -0.074 0.006 -2.925) 2.926 18.618 ( 0.074 0.006 2.925) 2.926 18.995 ( -1.998 -0.136 -0.084) 2.004 18.995 ( 1.998 -0.136 0.084) 2.004 19.186 ( 0.100 9.230 -7.115) 11.655 19.186 ( -0.100 9.230 7.115) 11.655 19.958 ( -2.827 -4.618 -4.872) 7.284 19.958 ( 2.827 -4.618 4.872) 7.284 25.776 ( -0.588 0.107 -0.132) 0.612 25.776 ( 0.588 0.107 0.132) 0.612 26.137 ( 1.023 -2.706 -2.656) 3.927 26.137 ( -1.023 -2.706 2.656) 3.927 26.531 ( 1.046 -0.035 -1.030) 1.469 26.531 ( -1.046 -0.035 1.030) 1.469 26.640 ( -1.204 -2.328 -3.038) 4.012 26.640 ( 1.204 -2.328 3.038) 4.012 26.807 ( 0.199 6.094 -1.656) 6.318 26.807 ( -0.199 6.094 1.656) 6.318 26.935 ( -1.738 3.001 0.126) 3.470 26.935 ( 1.738 3.001 -0.126) 3.470 27.051 ( -4.650 3.275 -4.582) 7.303 27.051 ( 4.650 3.275 4.582) 7.303 27.199 ( -0.132 0.955 -2.944) 3.097 27.199 ( 0.132 0.955 2.944) 3.097 27.552 ( -1.275 0.102 -4.156) 4.349 27.552 ( 1.275 0.102 4.156) 4.349 28.030 ( -2.705 -2.713 -4.797) 6.139 28.030 ( 2.705 -2.713 4.797) 6.139 28.234 ( 2.982 1.691 -6.475) 7.326 28.234 ( -2.982 1.691 6.475) 7.326 28.510 ( 0.332 2.217 -11.832) 12.042 28.510 ( -0.332 2.217 11.832) 12.042 28.960 ( -4.916 -8.919 -6.730) 12.207 28.960 ( 4.916 -8.919 6.730) 12.207 30.004 ( -3.484 -0.791 -6.290) 7.234 30.004 ( 3.484 -0.791 6.290) 7.234 30.364 ( -0.320 0.039 -0.888) 0.944 30.364 ( 0.320 0.039 0.888) 0.944 30.523 ( -3.776 -0.252 0.424) 3.808 30.523 ( 3.776 -0.252 -0.424) 3.808 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.727 11.227 10.035) 15.157 1.520 ( 3.415 15.141 -10.023) 18.476 1.749 ( 7.827 0.400 -9.838) 12.578 1.793 ( 10.725 0.012 5.796) 12.191 2.292 ( -1.392 -7.474 6.262) 9.849 2.348 ( -0.279 -2.191 -4.199) 4.745 2.392 ( 1.433 1.099 1.852) 2.587 2.496 ( -3.614 -2.844 -4.531) 6.456 2.594 ( 0.330 -2.332 6.249) 6.678 2.627 ( 6.512 -0.868 -11.166) 12.956 2.673 ( -5.238 -1.757 4.177) 6.926 2.808 ( -0.269 2.319 2.731) 3.593 2.879 ( 3.509 -2.640 -3.647) 5.708 2.952 ( 2.622 -0.042 -6.858) 7.342 3.014 ( -6.774 -2.275 -0.352) 7.154 3.052 ( -5.373 1.825 0.341) 5.685 3.115 ( -2.165 -5.118 -2.454) 6.075 3.210 ( 5.376 5.023 5.206) 9.013 3.331 ( 2.999 6.365 -0.982) 7.105 3.373 ( 0.259 2.862 6.742) 7.329 3.481 ( 2.337 -0.664 -7.530) 7.912 3.504 ( 1.600 4.479 5.585) 7.336 3.608 ( -0.175 -5.369 2.674) 6.000 3.751 ( -4.212 -0.519 -5.279) 6.773 3.777 ( -7.729 3.831 3.905) 9.470 4.002 ( 1.255 -0.366 2.396) 2.730 4.089 ( -0.788 3.613 5.034) 6.246 4.236 ( 5.954 1.710 -3.226) 6.984 4.279 ( -3.116 -1.357 5.566) 6.521 4.393 ( 1.655 2.971 -0.265) 3.411 4.450 ( -5.979 3.980 -1.947) 7.442 4.586 ( -4.530 0.382 -2.580) 5.227 4.619 ( 1.065 3.384 3.453) 4.951 4.740 ( 2.619 6.255 -0.215) 6.784 4.905 ( -0.565 -1.411 -3.437) 3.758 4.973 ( -6.263 2.506 0.772) 6.789 5.055 ( -0.085 3.314 1.681) 3.717 5.190 ( -3.295 -5.526 -11.438) 13.123 5.329 ( 3.447 4.030 0.462) 5.323 5.339 ( 0.207 1.361 -0.143) 1.384 5.403 ( -0.985 3.407 0.511) 3.583 5.532 ( 5.444 -5.457 7.079) 10.465 5.755 ( -3.311 -2.963 -2.241) 4.976 5.804 ( -2.972 -1.969 3.667) 5.114 5.872 ( -2.148 0.420 -1.256) 2.524 5.954 ( -2.218 -0.185 -0.708) 2.336 5.974 ( 0.795 -0.331 5.954) 6.016 6.081 ( -1.272 -3.162 -7.477) 8.217 6.136 ( -4.947 0.372 0.077) 4.961 6.195 ( 6.653 -0.321 -5.595) 8.698 6.273 ( 1.099 5.178 3.450) 6.318 6.368 ( -1.564 1.756 -1.654) 2.875 6.673 ( -3.403 -12.607 3.280) 13.464 6.753 ( -4.964 -14.117 4.832) 15.725 6.889 ( 0.450 1.737 2.741) 3.277 6.972 ( 1.511 3.369 -4.141) 5.548 7.077 ( 2.635 2.400 -4.630) 5.843 7.233 ( 9.575 -4.613 -0.146) 10.629 7.301 ( -2.652 4.795 3.101) 6.296 7.504 ( 1.728 3.549 -2.620) 4.738 7.865 ( 4.629 -4.204 -1.577) 6.449 7.935 ( 5.415 -3.710 4.646) 8.041 8.214 ( 1.133 0.735 3.664) 3.905 8.307 ( 4.481 0.437 -1.216) 4.664 8.405 ( -3.381 3.642 3.796) 6.253 8.546 ( 0.377 0.273 -5.626) 5.646 8.723 ( 1.990 0.894 -2.315) 3.181 8.749 ( 2.053 1.229 -1.292) 2.719 9.332 ( -0.989 -0.016 1.961) 2.197 9.462 ( 3.512 -1.061 -2.378) 4.372 9.601 ( -1.460 1.932 0.884) 2.578 9.610 ( -4.259 -0.063 2.015) 4.712 9.636 ( -0.248 -0.749 1.663) 1.841 9.743 ( -0.169 2.205 -3.727) 4.334 9.890 ( -0.671 -2.006 -0.362) 2.146 9.963 ( 1.249 -2.113 -0.458) 2.497 10.811 ( -0.776 1.111 -0.706) 1.528 10.917 ( 2.237 -1.237 2.449) 3.540 11.190 ( -3.537 -0.340 -0.796) 3.641 11.302 ( -0.195 -2.900 0.132) 2.909 11.570 ( 0.776 -1.885 -2.435) 3.176 11.597 ( 0.738 -2.218 -2.811) 3.656 11.611 ( -0.190 -2.101 2.962) 3.636 11.644 ( 0.764 -2.629 3.533) 4.470 12.412 ( -0.602 0.057 -0.613) 0.861 12.468 ( 0.854 -1.264 0.898) 1.771 12.662 ( -0.702 1.132 -0.137) 1.339 12.694 ( 0.564 0.645 -0.585) 1.037 13.093 ( -2.522 0.829 -0.951) 2.820 13.137 ( -1.548 0.402 1.275) 2.045 13.286 ( 0.105 0.228 -0.825) 0.863 13.396 ( 2.787 -2.610 -0.201) 3.824 14.208 ( -0.685 2.306 -0.859) 2.554 14.236 ( 0.286 2.319 0.997) 2.540 14.429 ( -1.155 -1.688 2.364) 3.126 14.473 ( 0.357 -1.279 -1.219) 1.803 14.811 ( -2.049 -0.409 2.726) 3.435 14.896 ( -0.999 -0.233 -0.815) 1.310 14.919 ( 1.059 -0.757 -1.821) 2.238 14.992 ( 1.004 -2.029 2.079) 3.074 15.794 ( -1.412 2.213 -2.244) 3.454 15.832 ( -0.099 1.929 1.119) 2.232 16.001 ( 1.277 -0.530 4.136) 4.361 16.051 ( 2.470 -1.540 -4.953) 5.745 16.556 ( 0.663 -1.045 2.242) 2.561 16.580 ( 1.617 -1.821 -1.657) 2.945 16.899 ( 1.099 3.184 0.945) 3.498 16.955 ( 2.411 1.472 -1.832) 3.367 17.339 ( 0.745 -2.478 0.519) 2.639 17.388 ( 2.569 -2.405 -1.997) 4.047 17.513 ( -3.677 -1.600 2.654) 4.808 17.582 ( -1.709 -2.812 0.558) 3.338 17.924 ( -2.260 4.441 -1.926) 5.342 17.995 ( -0.222 6.660 0.158) 6.666 18.226 ( 0.598 -0.647 -4.818) 4.897 18.288 ( 2.421 1.253 5.063) 5.751 18.580 ( -2.236 -0.827 -0.610) 2.461 18.725 ( 7.767 1.696 0.441) 7.962 18.921 ( -6.905 5.698 1.243) 9.038 19.038 ( 3.065 -4.662 -1.645) 5.817 19.143 ( 1.586 5.705 0.700) 5.962 19.300 ( 6.286 7.256 -3.840) 10.340 19.835 ( -8.618 -4.233 -3.186) 10.116 19.961 ( -2.897 -4.877 3.984) 6.931 25.765 ( -0.339 0.365 -0.369) 0.620 25.785 ( 0.203 -0.081 0.300) 0.371 26.125 ( -0.212 -2.966 2.161) 3.676 26.159 ( 1.034 -3.417 -3.400) 4.930 26.507 ( -1.153 -0.121 1.032) 1.552 26.543 ( 0.063 -0.270 -0.947) 0.986 26.599 ( -2.232 -0.699 -2.804) 3.651 26.641 ( -1.180 -2.775 1.924) 3.577 26.781 ( -1.621 5.729 0.515) 5.976 26.836 ( 0.955 6.387 -0.180) 6.460 26.863 ( -3.186 3.556 1.058) 4.890 26.933 ( -3.790 1.069 -1.344) 4.161 26.999 ( 0.860 5.615 -1.116) 5.789 27.120 ( 1.535 1.208 5.834) 6.152 27.207 ( 1.253 0.629 -1.800) 2.281 27.222 ( 1.575 1.159 2.463) 3.145 27.523 ( -0.521 0.993 -0.602) 1.273 27.577 ( 0.547 1.067 2.442) 2.721 27.960 ( -3.069 -1.756 -3.103) 4.704 28.044 ( -2.016 0.287 1.381) 2.461 28.160 ( -2.552 0.843 9.612) 9.981 28.265 ( 0.236 -0.179 -4.990) 4.999 28.486 ( 1.777 -1.691 2.712) 3.657 28.644 ( 3.734 2.359 2.865) 5.265 28.835 ( -3.607 -10.270 -8.024) 13.523 29.028 ( 1.359 -3.803 1.731) 4.394 29.868 ( -7.995 -0.733 -2.424) 8.386 29.921 ( -10.202 -0.013 -1.884) 10.375 30.352 ( 4.510 0.270 5.114) 6.824 30.418 ( 3.510 1.438 -0.520) 3.829 30.591 ( 7.284 -1.308 1.637) 7.580 30.726 ( 11.203 -2.875 -5.966) 13.014 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 6.426 8.300 2.682) 10.834 1.575 ( 3.079 12.733 -8.533) 15.634 1.883 ( 4.049 -2.514 1.957) 5.152 1.972 ( 4.482 0.351 -4.730) 6.526 2.233 ( -7.300 -4.057 0.624) 8.375 2.322 ( 1.431 -2.494 6.898) 7.473 2.343 ( -6.711 -7.537 -1.581) 10.215 2.468 ( 0.221 -1.658 -3.435) 3.820 2.582 ( 0.113 -0.779 3.360) 3.451 2.638 ( 2.883 2.999 0.445) 4.184 2.722 ( 4.101 3.710 -2.494) 6.067 2.806 ( -7.340 4.233 -0.690) 8.501 2.859 ( -6.526 1.730 -1.021) 6.828 2.900 ( 5.770 -3.830 1.285) 7.043 3.007 ( 1.152 -0.111 -1.446) 1.852 3.076 ( 7.762 -2.020 -5.282) 9.603 3.143 ( 0.719 -2.799 -1.780) 3.394 3.270 ( -1.890 8.133 0.525) 8.367 3.335 ( -2.298 4.192 1.831) 5.119 3.429 ( 3.271 3.828 3.310) 6.026 3.487 ( 4.757 3.021 2.788) 6.287 3.603 ( 1.109 0.861 7.763) 7.889 3.617 ( -0.706 -4.909 -0.224) 4.965 3.664 ( 7.650 4.765 -3.053) 9.515 3.771 ( 4.433 -1.360 -5.960) 7.551 3.931 ( -8.936 -1.934 2.716) 9.538 4.035 ( -3.513 0.793 5.215) 6.337 4.185 ( -8.876 3.370 4.454) 10.488 4.309 ( 0.323 -1.057 -2.868) 3.074 4.349 ( 3.799 -3.075 -2.153) 5.341 4.435 ( -8.668 0.461 1.243) 8.768 4.547 ( 8.000 4.641 -4.504) 10.287 4.648 ( -0.459 4.582 2.527) 5.253 4.760 ( -0.874 3.176 1.376) 3.570 4.818 ( -6.043 7.985 3.692) 10.673 4.853 ( -3.654 1.936 -7.486) 8.552 5.112 ( 3.371 -2.728 -5.670) 7.138 5.195 ( 1.291 -2.920 2.841) 4.274 5.299 ( -0.439 2.641 -4.728) 5.434 5.386 ( 0.674 2.583 -1.012) 2.855 5.407 ( 2.781 2.831 0.275) 3.978 5.558 ( -3.646 -4.307 5.710) 8.028 5.708 ( -1.022 -1.328 -4.532) 4.832 5.758 ( -1.304 -0.716 6.487) 6.655 5.788 ( -4.865 -0.498 1.683) 5.172 5.927 ( -8.405 4.441 -3.559) 10.151 5.987 ( 5.838 -5.332 4.455) 9.076 6.052 ( 2.908 0.745 0.322) 3.019 6.113 ( 0.884 -2.984 -3.106) 4.397 6.254 ( -4.331 -6.100 0.111) 7.481 6.301 ( 1.557 2.769 3.304) 4.583 6.346 ( 3.045 1.439 -6.584) 7.395 6.592 ( -4.694 -10.778 0.973) 11.796 6.618 ( -6.933 -9.155 3.768) 12.086 6.969 ( 4.977 3.450 6.348) 8.773 7.012 ( 1.960 0.032 -4.433) 4.847 7.106 ( 1.422 3.089 -8.318) 8.986 7.240 ( -2.148 3.540 3.906) 5.692 7.431 ( 6.912 -3.457 4.061) 8.730 7.527 ( 0.999 -0.334 -5.360) 5.462 7.993 ( 6.887 -2.415 0.346) 7.306 8.042 ( 4.526 -3.222 1.704) 5.811 8.266 ( 3.441 0.760 3.447) 4.929 8.366 ( 0.902 5.660 -0.729) 5.778 8.387 ( 1.895 -1.479 5.621) 6.114 8.491 ( -4.533 0.257 -4.047) 6.082 8.752 ( 0.607 1.778 2.963) 3.509 8.792 ( 1.463 -0.629 -9.451) 9.584 9.327 ( 0.186 1.198 -0.171) 1.225 9.443 ( -4.900 2.793 3.879) 6.845 9.563 ( 0.619 -0.267 -0.062) 0.677 9.613 ( 1.707 -0.635 -0.169) 1.829 9.630 ( -0.447 0.107 0.203) 0.503 9.705 ( -2.793 0.495 -2.232) 3.609 9.907 ( 2.004 -1.748 -0.938) 2.820 9.972 ( -0.347 -1.826 -0.065) 1.860 10.831 ( 2.472 1.184 -1.031) 2.928 10.935 ( -0.763 -0.764 2.290) 2.532 11.141 ( -0.687 -0.931 0.644) 1.324 11.254 ( -3.999 -3.366 -1.440) 5.422 11.602 ( 1.750 -2.009 -1.314) 2.971 11.608 ( 0.656 -2.474 -4.662) 5.319 11.620 ( 0.886 -2.679 3.903) 4.816 11.657 ( 0.285 -2.082 3.506) 4.088 12.416 ( 0.944 0.372 -0.436) 1.104 12.468 ( -0.821 -0.866 0.757) 1.413 12.655 ( 0.216 1.304 -0.260) 1.347 12.694 ( -0.626 0.627 -0.606) 1.073 13.050 ( -1.419 0.564 -1.325) 2.022 13.088 ( -2.779 0.033 1.374) 3.100 13.329 ( 3.487 -0.423 -0.743) 3.590 13.424 ( -0.029 -2.951 -0.143) 2.954 14.201 ( 0.102 1.255 -0.094) 1.262 14.232 ( -0.721 1.000 0.027) 1.233 14.418 ( 0.161 -0.854 3.096) 3.216 14.465 ( -1.083 -0.831 -1.767) 2.233 14.792 ( 0.040 1.059 4.209) 4.341 14.860 ( -2.193 0.776 -2.097) 3.132 14.947 ( 1.197 -1.127 -2.440) 2.942 14.987 ( -1.109 -1.788 1.450) 2.556 15.783 ( 0.463 2.635 -1.894) 3.277 15.823 ( -0.771 2.208 1.133) 2.598 16.041 ( 2.166 -0.372 5.358) 5.792 16.084 ( 0.747 -1.157 -6.248) 6.397 16.580 ( 1.546 -0.917 1.527) 2.359 16.608 ( 0.909 -1.884 -0.936) 2.291 16.937 ( 2.177 3.072 0.970) 3.888 16.983 ( 0.370 1.629 -0.958) 1.925 17.368 ( 1.797 -3.715 -0.495) 4.156 17.420 ( -0.360 -4.500 0.565) 4.550 17.477 ( 0.885 0.410 0.597) 1.143 17.537 ( -2.137 -1.248 -0.053) 2.476 17.908 ( 0.717 4.847 -2.601) 5.548 17.978 ( -1.413 6.527 1.411) 6.826 18.256 ( 2.442 -0.687 -5.700) 6.239 18.333 ( 1.420 0.616 7.181) 7.346 18.520 ( -2.207 3.278 -2.134) 4.491 18.739 ( -9.764 7.414 1.602) 12.364 18.919 ( 10.131 1.793 2.745) 10.649 19.091 ( 1.426 -5.102 -2.667) 5.931 19.214 ( 4.879 0.484 1.069) 5.018 19.431 ( 5.262 4.036 -6.683) 9.415 19.649 ( -7.723 -4.721 -1.264) 9.140 19.857 ( -7.268 -4.535 3.782) 9.365 25.764 ( 0.242 0.382 -0.731) 0.860 25.783 ( -0.377 0.001 0.732) 0.823 26.131 ( 0.797 -3.783 2.184) 4.440 26.169 ( -0.122 -4.554 -3.385) 5.675 26.494 ( -0.059 -0.321 1.054) 1.103 26.532 ( -1.071 -0.471 -0.790) 1.411 26.567 ( -0.660 0.239 -2.298) 2.403 26.608 ( -1.949 -1.802 1.710) 3.157 26.744 ( -1.683 5.951 -0.222) 6.188 26.780 ( -3.342 5.753 1.128) 6.748 26.874 ( 1.004 3.391 1.561) 3.866 26.882 ( -0.813 1.404 -2.280) 2.799 27.021 ( 1.251 4.291 -1.085) 4.599 27.107 ( -2.415 1.284 4.538) 5.299 27.243 ( 1.865 0.808 -2.444) 3.178 27.253 ( 1.250 1.270 2.892) 3.397 27.538 ( 1.617 1.616 1.648) 2.818 27.579 ( -0.294 2.547 0.619) 2.637 27.926 ( -0.115 -0.579 -1.252) 1.385 28.001 ( -2.001 1.069 0.487) 2.321 28.125 ( -1.203 -0.612 10.741) 10.825 28.227 ( -3.985 -1.857 -9.208) 10.203 28.528 ( 2.241 -4.507 1.650) 5.297 28.629 ( -2.058 -3.489 -0.361) 4.066 28.869 ( 4.355 -0.794 1.539) 4.687 29.026 ( -1.646 0.634 -2.267) 2.873 29.715 ( -5.589 -2.198 -2.688) 6.579 29.755 ( -6.208 -2.481 -1.354) 6.821 30.450 ( 4.481 1.464 2.580) 5.373 30.494 ( 2.850 3.322 1.354) 4.582 30.754 ( 8.009 -2.959 4.675) 9.734 30.878 ( 3.807 -4.134 -7.858) 9.661 ======================= Grid point 107 (56/60) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.885 7.598 -3.026) 8.226 1.578 ( 0.885 7.598 3.026) 8.226 1.916 ( 4.144 -1.082 -3.824) 5.741 1.916 ( -4.144 -1.082 3.824) 5.742 2.232 ( -5.574 -5.482 -1.996) 8.069 2.232 ( 5.574 -5.482 1.996) 8.069 2.406 ( -5.115 -1.487 -3.506) 6.377 2.406 ( 5.115 -1.487 3.506) 6.377 2.617 ( -1.313 3.182 -1.234) 3.656 2.617 ( 1.313 3.182 1.234) 3.656 2.748 ( 0.815 5.605 -5.460) 7.867 2.748 ( -0.815 5.605 5.460) 7.867 2.893 ( -6.749 -2.318 0.766) 7.177 2.893 ( 6.749 -2.318 -0.766) 7.177 3.080 ( -2.671 -0.257 -4.166) 4.956 3.080 ( 2.671 -0.257 4.166) 4.956 3.183 ( 1.753 2.746 -6.227) 7.027 3.183 ( -1.753 2.746 6.227) 7.027 3.388 ( 4.588 0.762 -6.504) 7.996 3.388 ( -4.588 0.762 6.504) 7.996 3.582 ( 0.031 -0.645 -0.701) 0.953 3.582 ( -0.031 -0.645 0.701) 0.953 3.712 ( 3.532 2.479 -8.877) 9.870 3.712 ( -3.532 2.479 8.877) 9.870 3.905 ( -12.421 0.958 2.831) 12.776 3.905 ( 12.421 0.958 -2.831) 12.776 3.969 ( 3.829 0.811 -7.677) 8.617 3.969 ( -3.829 0.811 7.677) 8.617 4.300 ( -0.958 1.001 -1.121) 1.783 4.300 ( 0.958 1.001 1.121) 1.783 4.505 ( -7.359 -2.590 -0.197) 7.804 4.505 ( 7.359 -2.590 0.197) 7.804 4.716 ( 3.646 8.783 -3.876) 10.269 4.716 ( -3.646 8.783 3.876) 10.269 4.789 ( -3.110 2.219 -5.539) 6.729 4.789 ( 3.110 2.219 5.539) 6.729 5.159 ( 2.507 -1.837 -11.056) 11.484 5.159 ( -2.507 -1.837 11.056) 11.484 5.389 ( 3.893 1.964 -4.057) 5.956 5.389 ( -3.893 1.964 4.057) 5.956 5.449 ( 4.885 -1.077 -6.435) 8.150 5.449 ( -4.885 -1.077 6.435) 8.150 5.717 ( 1.558 -2.225 -6.636) 7.170 5.717 ( -1.558 -2.225 6.636) 7.170 5.784 ( -3.973 3.422 -5.211) 7.393 5.784 ( 3.973 3.422 5.211) 7.393 6.104 ( -2.065 0.590 -2.053) 2.971 6.104 ( 2.065 0.590 2.053) 2.971 6.131 ( -3.488 -6.046 -6.842) 9.774 6.131 ( 3.488 -6.046 6.842) 9.774 6.359 ( -3.093 -0.786 -4.046) 5.153 6.359 ( 3.093 -0.786 4.046) 5.153 6.532 ( 1.082 -7.867 -7.455) 10.892 6.532 ( -1.082 -7.867 7.455) 10.892 7.024 ( -0.534 0.117 -4.356) 4.390 7.024 ( 0.534 0.117 4.356) 4.391 7.174 ( 2.832 3.832 -6.200) 7.820 7.174 ( -2.832 3.832 6.200) 7.820 7.519 ( -2.149 -1.932 -4.596) 5.429 7.519 ( 2.149 -1.932 4.596) 5.429 8.084 ( -1.021 -3.048 -1.508) 3.551 8.084 ( 1.021 -3.048 1.508) 3.551 8.341 ( -4.613 1.103 -2.953) 5.587 8.341 ( 4.613 1.103 2.953) 5.587 8.425 ( 0.647 1.985 -4.011) 4.521 8.425 ( -0.647 1.985 4.011) 4.521 8.778 ( -1.918 0.248 -7.705) 7.944 8.778 ( 1.918 0.248 7.705) 7.944 9.354 ( 3.127 2.348 -3.252) 5.086 9.354 ( -3.127 2.348 3.252) 5.086 9.599 ( -1.625 1.404 -1.866) 2.845 9.599 ( 1.625 1.404 1.866) 2.845 9.655 ( -1.084 -1.210 -4.887) 5.150 9.655 ( 1.084 -1.210 4.887) 5.150 9.949 ( -0.171 -1.888 -1.427) 2.372 9.949 ( 0.171 -1.888 1.427) 2.372 10.891 ( 3.038 0.438 -1.643) 3.482 10.891 ( -3.038 0.438 1.643) 3.482 11.173 ( -3.386 -2.404 -1.700) 4.487 11.173 ( 3.386 -2.404 1.700) 4.487 11.615 ( 0.096 -2.800 -4.194) 5.044 11.615 ( -0.096 -2.800 4.194) 5.044 11.649 ( 1.213 -2.192 -1.951) 3.175 11.649 ( -1.213 -2.192 1.951) 3.175 12.443 ( 0.182 -0.042 -0.405) 0.446 12.443 ( -0.182 -0.042 0.405) 0.446 12.672 ( -0.700 1.058 -0.674) 1.436 12.672 ( 0.700 1.058 0.674) 1.436 13.046 ( 1.053 0.225 -1.858) 2.148 13.046 ( -1.053 0.225 1.858) 2.148 13.395 ( -2.511 -1.979 0.187) 3.203 13.395 ( 2.511 -1.979 -0.187) 3.203 14.213 ( -0.735 0.471 -0.559) 1.036 14.213 ( 0.735 0.471 0.559) 1.036 14.436 ( -1.326 -0.453 -2.976) 3.289 14.436 ( 1.326 -0.453 2.976) 3.289 14.814 ( -1.959 1.176 -4.568) 5.107 14.814 ( 1.959 1.176 4.568) 5.107 14.966 ( 0.926 -1.076 -2.043) 2.487 14.966 ( -0.926 -1.076 2.043) 2.487 15.803 ( 0.402 2.509 -3.135) 4.036 15.803 ( -0.402 2.509 3.135) 4.036 16.077 ( -0.978 -0.718 -7.385) 7.484 16.077 ( 0.978 -0.718 7.385) 7.484 16.608 ( -0.918 -1.306 -0.697) 1.742 16.608 ( 0.918 -1.306 0.697) 1.742 16.973 ( -1.112 2.342 -0.951) 2.761 16.973 ( 1.112 2.342 0.951) 2.761 17.399 ( 0.788 -4.171 -1.915) 4.656 17.399 ( -0.788 -4.171 1.915) 4.656 17.505 ( -0.740 -0.247 -1.298) 1.514 17.505 ( 0.740 -0.247 1.298) 1.514 17.941 ( 1.234 5.355 -3.569) 6.552 17.941 ( -1.234 5.355 3.569) 6.552 18.313 ( 3.032 -0.755 -7.375) 8.010 18.313 ( -3.032 -0.755 7.375) 8.010 18.565 ( 0.949 7.428 -4.335) 8.652 18.565 ( -0.949 7.428 4.335) 8.652 19.072 ( -2.653 -1.829 -3.862) 5.030 19.072 ( 2.653 -1.829 3.862) 5.030 19.349 ( -7.944 -0.404 -4.418) 9.099 19.349 ( 7.944 -0.404 4.418) 9.099 19.694 ( 8.002 -3.675 -3.060) 9.321 19.694 ( -8.002 -3.675 3.060) 9.321 25.773 ( 0.489 0.201 -1.005) 1.136 25.773 ( -0.489 0.201 1.005) 1.136 26.153 ( -1.123 -4.604 -2.712) 5.460 26.153 ( 1.123 -4.604 2.712) 5.460 26.507 ( -1.113 -0.446 -1.013) 1.569 26.507 ( 1.113 -0.446 1.013) 1.569 26.574 ( 1.215 -0.436 -1.900) 2.297 26.574 ( -1.215 -0.436 1.900) 2.297 26.734 ( 1.004 6.035 -1.204) 6.236 26.734 ( -1.004 6.035 1.204) 6.236 26.882 ( 0.280 1.825 -3.462) 3.923 26.882 ( -0.280 1.825 3.462) 3.923 27.055 ( 2.269 2.949 -2.629) 4.556 27.055 ( -2.269 2.949 2.629) 4.556 27.265 ( 0.245 1.228 -2.926) 3.183 27.265 ( -0.245 1.228 2.926) 3.183 27.567 ( -0.689 2.189 -1.863) 2.956 27.567 ( 0.689 2.189 1.863) 2.956 27.954 ( -0.526 0.529 -3.314) 3.397 27.954 ( 0.526 0.529 3.314) 3.397 28.144 ( -2.771 -2.168 -12.447) 12.935 28.144 ( 2.771 -2.168 12.447) 12.935 28.581 ( -1.730 -3.962 -3.661) 5.665 28.581 ( 1.730 -3.962 3.661) 5.665 28.962 ( -4.124 1.932 -4.929) 6.711 28.962 ( 4.124 1.932 4.929) 6.711 29.675 ( 0.806 -3.830 -2.264) 4.522 29.675 ( -0.806 -3.830 2.264) 4.522 30.511 ( 0.117 3.015 -8.693) 9.202 30.511 ( -0.117 3.015 8.693) 9.202 30.876 ( -3.322 -3.839 -7.396) 8.971 30.876 ( 3.322 -3.839 7.396) 8.971 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.551 11.343 -8.759) 14.765 1.676 ( -3.551 11.343 8.759) 14.765 1.760 ( -0.018 4.382 -10.863) 11.714 1.760 ( 0.018 4.382 10.863) 11.714 2.276 ( -0.665 -3.577 -4.977) 6.165 2.276 ( 0.665 -3.577 4.977) 6.165 2.323 ( -6.400 -6.386 -6.021) 10.863 2.323 ( 6.400 -6.386 6.021) 10.863 2.515 ( -2.693 -1.869 -2.614) 4.193 2.515 ( 2.693 -1.869 2.614) 4.193 2.695 ( -3.908 -0.534 -1.373) 4.176 2.695 ( 3.908 -0.534 1.373) 4.176 2.864 ( -3.385 -6.203 -0.306) 7.073 2.864 ( 3.385 -6.203 0.306) 7.073 3.001 ( 0.516 -2.181 -0.319) 2.264 3.001 ( -0.516 -2.181 0.319) 2.264 3.226 ( -1.035 2.786 -3.567) 4.643 3.226 ( 1.035 2.786 3.567) 4.643 3.352 ( -2.779 0.819 -0.908) 3.036 3.352 ( 2.779 0.819 0.908) 3.036 3.599 ( 0.700 9.565 -4.439) 10.568 3.599 ( -0.700 9.565 4.439) 10.568 3.807 ( 3.468 3.640 -4.045) 6.453 3.807 ( -3.468 3.640 4.045) 6.453 3.919 ( -2.937 -3.090 0.493) 4.291 3.919 ( 2.937 -3.090 -0.493) 4.291 4.160 ( 0.707 1.344 -2.432) 2.867 4.160 ( -0.707 1.344 2.432) 2.867 4.392 ( 3.668 4.526 -7.390) 9.411 4.392 ( -3.668 4.526 7.390) 9.411 4.541 ( 3.913 -5.230 -5.551) 8.572 4.541 ( -3.913 -5.230 5.551) 8.572 4.789 ( -0.146 4.731 -5.811) 7.494 4.789 ( 0.146 4.731 5.811) 7.494 4.966 ( 3.488 1.279 -4.002) 5.461 4.966 ( -3.488 1.279 4.002) 5.461 5.113 ( -4.198 -6.904 -6.122) 10.137 5.113 ( 4.198 -6.904 6.122) 10.137 5.342 ( -5.492 6.420 0.624) 8.472 5.342 ( 5.492 6.420 -0.624) 8.472 5.448 ( -2.362 -1.056 0.368) 2.613 5.448 ( 2.362 -1.056 -0.368) 2.613 5.737 ( 0.534 -3.800 -4.333) 5.788 5.737 ( -0.534 -3.800 4.333) 5.788 5.953 ( 0.160 3.103 -3.989) 5.057 5.953 ( -0.160 3.103 3.989) 5.057 6.020 ( 1.375 -2.558 -6.945) 7.528 6.020 ( -1.375 -2.558 6.945) 7.528 6.164 ( -0.833 1.758 -2.649) 3.287 6.164 ( 0.833 1.758 2.649) 3.287 6.442 ( -0.031 2.999 -1.440) 3.327 6.442 ( 0.031 2.999 1.440) 3.327 6.501 ( 2.215 -6.959 -5.449) 9.112 6.501 ( -2.215 -6.959 5.449) 9.112 6.948 ( -3.820 -1.315 -0.626) 4.088 6.948 ( 3.820 -1.315 0.626) 4.088 7.049 ( 0.511 1.129 -1.965) 2.323 7.049 ( -0.511 1.129 1.965) 2.323 7.483 ( -3.573 0.589 -0.361) 3.639 7.483 ( 3.573 0.589 0.361) 3.639 7.758 ( -1.516 -2.632 -3.391) 4.553 7.758 ( 1.516 -2.632 3.391) 4.553 8.234 ( 1.238 0.199 -1.107) 1.673 8.234 ( -1.238 0.199 1.107) 1.673 8.525 ( 1.112 0.993 -2.234) 2.686 8.525 ( -1.112 0.993 2.234) 2.686 8.747 ( -0.221 1.146 -0.333) 1.214 8.747 ( 0.221 1.146 0.333) 1.214 9.370 ( 0.687 0.306 -1.026) 1.272 9.370 ( -0.687 0.306 1.026) 1.272 9.591 ( -0.821 -1.926 -0.465) 2.145 9.591 ( 0.821 -1.926 0.465) 2.145 9.767 ( 2.338 2.435 -2.200) 4.030 9.767 ( -2.338 2.435 2.200) 4.030 9.874 ( 0.362 -1.956 -1.375) 2.418 9.874 ( -0.362 -1.956 1.375) 2.418 10.853 ( -1.220 -0.147 -0.437) 1.304 10.853 ( 1.220 -0.147 0.437) 1.304 11.242 ( -1.305 -0.572 -0.858) 1.663 11.242 ( 1.305 -0.572 0.858) 1.663 11.538 ( -0.627 -1.188 -0.801) 1.564 11.538 ( 0.627 -1.188 0.801) 1.564 11.578 ( 0.470 -1.388 -2.134) 2.588 11.578 ( -0.470 -1.388 2.134) 2.588 12.426 ( -0.496 -0.356 -0.589) 0.848 12.426 ( 0.496 -0.356 0.589) 0.848 12.694 ( 0.170 0.445 -0.128) 0.493 12.694 ( -0.170 0.445 0.128) 0.493 13.155 ( -0.629 0.566 -1.014) 1.321 13.155 ( 0.629 0.566 1.014) 1.321 13.303 ( -1.192 -0.785 -0.456) 1.498 13.303 ( 1.192 -0.785 0.456) 1.498 14.282 ( -0.312 1.996 -0.818) 2.179 14.282 ( 0.312 1.996 0.818) 2.179 14.416 ( 0.848 -1.483 -0.895) 1.928 14.416 ( -0.848 -1.483 0.895) 1.928 14.843 ( 0.745 0.057 -2.029) 2.162 14.843 ( -0.745 0.057 2.029) 2.162 14.929 ( -0.607 -1.278 -0.516) 1.506 14.929 ( 0.607 -1.278 0.516) 1.506 15.860 ( -0.249 1.224 -1.739) 2.142 15.860 ( 0.249 1.224 1.739) 2.142 15.980 ( 0.280 -0.782 -2.592) 2.722 15.980 ( -0.280 -0.782 2.592) 2.722 16.533 ( 0.104 -0.641 -0.998) 1.190 16.533 ( -0.104 -0.641 0.998) 1.190 16.943 ( -0.213 0.893 -0.925) 1.303 16.943 ( 0.213 0.893 0.925) 1.303 17.316 ( 0.716 -0.806 -0.600) 1.234 17.316 ( -0.716 -0.806 0.600) 1.234 17.535 ( 0.882 -1.077 -0.770) 1.591 17.535 ( -0.882 -1.077 0.770) 1.591 18.074 ( -0.452 3.499 -3.822) 5.201 18.074 ( 0.452 3.499 3.822) 5.201 18.228 ( -1.392 -1.298 -4.042) 4.468 18.228 ( 1.392 -1.298 4.042) 4.468 18.638 ( -1.261 1.254 -1.644) 2.422 18.638 ( 1.261 1.254 1.644) 2.422 18.972 ( -0.711 -1.190 -0.576) 1.501 18.972 ( 0.711 -1.190 0.576) 1.501 19.392 ( -0.136 7.690 -4.654) 8.990 19.392 ( 0.136 7.690 4.654) 8.990 19.840 ( -1.177 -5.141 -3.319) 6.232 19.840 ( 1.177 -5.141 3.319) 6.232 25.793 ( -0.159 1.072 -0.690) 1.284 25.793 ( 0.159 1.072 0.690) 1.284 26.074 ( 0.393 -2.401 -1.763) 3.005 26.074 ( -0.393 -2.401 1.763) 3.005 26.533 ( 0.605 0.190 -0.368) 0.734 26.533 ( -0.605 0.190 0.368) 0.734 26.600 ( -0.177 -1.243 -1.232) 1.759 26.600 ( 0.177 -1.243 1.232) 1.759 26.915 ( 0.060 3.448 -1.889) 3.932 26.915 ( -0.060 3.448 1.889) 3.932 26.970 ( 0.674 0.205 -1.768) 1.903 26.970 ( -0.674 0.205 1.768) 1.903 27.148 ( -0.628 4.496 -1.668) 4.836 27.148 ( 0.628 4.496 1.668) 4.836 27.207 ( -0.444 -0.676 -1.349) 1.573 27.207 ( 0.444 -0.676 1.349) 1.573 27.560 ( -0.193 0.466 -2.122) 2.181 27.560 ( 0.193 0.466 2.122) 2.181 27.971 ( -1.684 -2.093 -2.098) 3.408 27.971 ( 1.684 -2.093 2.098) 3.408 28.274 ( 0.802 1.529 -3.040) 3.497 28.274 ( -0.802 1.529 3.040) 3.497 28.582 ( -6.159 4.826 -9.918) 12.633 28.582 ( 6.159 4.826 9.918) 12.633 28.753 ( -7.914 -9.191 -8.736) 14.948 28.753 ( 7.914 -9.191 8.736) 14.948 29.989 ( -1.677 -0.466 -2.173) 2.785 29.989 ( 1.677 -0.466 2.173) 2.785 30.363 ( -1.407 -0.039 -0.208) 1.423 30.363 ( 1.407 -0.039 0.208) 1.423 30.517 ( -1.745 -0.226 0.066) 1.761 30.517 ( 1.745 -0.226 -0.066) 1.761 ======================= Grid point 113 (58/60) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.903 11.574 0.404) 11.616 1.740 ( -0.341 1.348 -1.925) 2.375 1.839 ( 6.602 6.748 -0.701) 9.467 1.897 ( 12.667 10.027 -2.637) 16.369 2.126 ( -4.519 -5.888 0.583) 7.445 2.223 ( -1.764 -7.649 -3.986) 8.804 2.399 ( -4.664 -3.685 -1.880) 6.235 2.427 ( -3.965 -4.909 -3.220) 7.085 2.512 ( 10.834 3.800 2.682) 11.791 2.618 ( 10.529 -3.116 -3.179) 11.432 2.642 ( -0.315 -2.019 0.803) 2.195 2.733 ( -2.701 -8.219 -3.150) 9.207 2.812 ( 3.910 5.085 2.288) 6.811 2.922 ( 1.537 -3.166 -2.799) 4.497 3.002 ( -2.058 -0.962 2.001) 3.027 3.039 ( 2.693 -2.654 4.187) 5.641 3.144 ( -6.212 2.874 -1.240) 6.956 3.197 ( 1.373 -3.049 -2.585) 4.226 3.407 ( 5.184 3.228 1.510) 6.291 3.464 ( 5.915 -1.255 0.708) 6.088 3.568 ( -3.254 7.139 5.608) 9.644 3.601 ( -1.238 4.877 -0.678) 5.077 3.692 ( -4.740 7.665 5.508) 10.562 3.759 ( -5.422 5.270 -0.885) 7.613 3.836 ( -3.349 -0.290 -1.265) 3.592 3.929 ( -1.812 -6.357 1.720) 6.830 4.178 ( -0.004 3.031 -2.279) 3.793 4.209 ( 2.724 -1.300 -3.098) 4.326 4.244 ( -7.021 0.201 7.970) 10.624 4.380 ( -7.883 -6.742 3.040) 10.809 4.519 ( 7.303 8.369 -4.476) 11.975 4.685 ( -1.124 -0.677 -6.156) 6.294 4.755 ( 5.230 7.567 3.451) 9.825 4.800 ( -2.635 4.136 0.908) 4.988 4.968 ( -1.157 -5.880 -3.091) 6.743 5.015 ( -0.404 11.093 -0.775) 11.127 5.046 ( 4.552 -7.933 -6.297) 11.105 5.156 ( -3.258 1.590 8.938) 9.645 5.263 ( 0.392 -1.517 -2.172) 2.678 5.392 ( -2.871 -6.266 1.549) 7.065 5.421 ( 2.366 3.951 -2.280) 5.138 5.469 ( -0.207 0.877 -1.174) 1.480 5.703 ( -1.698 -1.221 3.294) 3.902 5.741 ( -1.284 -4.197 1.247) 4.563 5.897 ( -3.663 1.431 0.520) 3.967 5.916 ( -5.061 -0.846 1.566) 5.365 6.001 ( 2.483 1.293 -0.569) 2.856 6.039 ( 0.161 -1.419 -0.983) 1.734 6.163 ( -3.960 1.792 0.498) 4.375 6.192 ( 1.727 -0.467 -0.708) 1.924 6.355 ( -3.907 0.554 2.527) 4.685 6.378 ( -2.747 1.878 -2.048) 3.908 6.478 ( -2.194 -5.525 4.457) 7.430 6.495 ( -2.901 -7.465 -2.975) 8.544 6.975 ( 5.495 5.923 4.179) 9.096 7.045 ( 0.394 2.522 -2.757) 3.757 7.095 ( 2.535 -0.625 -4.434) 5.145 7.120 ( 10.065 -5.719 -0.128) 11.577 7.392 ( -3.763 4.308 -1.773) 5.988 7.491 ( -1.589 -4.164 -4.789) 6.542 7.816 ( 6.570 -0.088 1.962) 6.858 7.851 ( 6.736 -3.221 5.310) 9.162 8.241 ( 1.756 1.787 2.613) 3.621 8.282 ( 3.099 -1.940 1.604) 3.993 8.493 ( -1.708 3.388 -1.248) 3.994 8.539 ( -0.740 -1.115 -3.659) 3.896 8.755 ( 1.571 1.840 -0.977) 2.609 8.773 ( 1.605 0.385 0.499) 1.724 9.364 ( 0.888 2.954 0.125) 3.087 9.429 ( 3.571 -2.378 -1.207) 4.457 9.568 ( -1.220 -0.593 1.618) 2.111 9.600 ( 0.086 -2.563 1.600) 3.022 9.693 ( -4.299 4.155 2.087) 6.333 9.759 ( -2.790 -1.455 0.242) 3.156 9.868 ( 0.821 0.610 -2.616) 2.809 9.907 ( 1.294 -2.660 -2.246) 3.715 10.842 ( 0.293 1.760 -0.148) 1.790 10.882 ( 1.498 -1.939 0.776) 2.571 11.194 ( -3.092 1.072 -1.135) 3.464 11.237 ( -1.912 -2.842 -0.574) 3.473 11.537 ( 0.778 -0.575 0.380) 1.039 11.554 ( 0.547 -1.921 1.073) 2.267 11.575 ( 0.297 -0.419 1.556) 1.639 11.593 ( 0.893 -1.871 0.103) 2.076 12.419 ( 0.136 0.704 -0.687) 0.993 12.441 ( 0.686 -1.254 -0.076) 1.432 12.686 ( -0.356 1.027 -0.102) 1.092 12.700 ( 0.152 -0.199 -0.461) 0.525 13.116 ( -2.669 1.173 -0.701) 2.998 13.136 ( -2.374 -0.562 0.349) 2.465 13.298 ( 0.866 1.131 -0.214) 1.441 13.337 ( 1.680 -2.539 0.154) 3.048 14.256 ( -1.551 2.002 0.016) 2.533 14.277 ( -1.165 0.627 -0.110) 1.327 14.406 ( -0.010 0.151 1.947) 1.952 14.435 ( 0.640 -2.023 -0.042) 2.122 14.831 ( -0.113 2.064 1.459) 2.530 14.872 ( 1.348 -1.383 -2.132) 2.876 14.914 ( -0.558 -0.118 -0.398) 0.696 14.937 ( 0.078 -2.531 0.570) 2.595 15.845 ( -0.596 2.134 -0.927) 2.402 15.864 ( -0.039 0.573 0.533) 0.783 15.995 ( 1.839 0.162 1.355) 2.290 16.015 ( 2.300 -1.605 -1.731) 3.296 16.541 ( 1.036 -0.184 0.168) 1.065 16.549 ( 1.339 -0.978 -0.789) 1.836 16.956 ( 1.752 1.932 -0.473) 2.651 16.976 ( 2.293 0.128 -0.181) 2.304 17.304 ( -0.241 -0.273 0.024) 0.365 17.330 ( 0.546 -2.429 -1.035) 2.696 17.502 ( -1.897 0.494 1.934) 2.754 17.529 ( -1.187 -1.996 0.570) 2.391 18.032 ( -1.440 5.185 -0.916) 5.459 18.100 ( 0.108 0.807 -0.211) 0.841 18.218 ( 0.991 1.591 -2.425) 3.065 18.281 ( 2.528 -2.354 2.661) 4.361 18.624 ( 0.477 4.509 -0.855) 4.614 18.717 ( 5.744 -2.962 0.735) 6.504 18.958 ( -0.611 0.493 -1.275) 1.497 18.991 ( 0.480 -1.489 0.369) 1.607 19.325 ( -3.225 9.735 0.373) 10.262 19.430 ( 1.419 2.380 -0.841) 2.896 19.745 ( -7.131 -1.798 -1.452) 7.496 19.826 ( -3.248 -7.119 1.323) 7.937 25.787 ( -0.238 1.357 -0.344) 1.420 25.795 ( -0.015 0.675 0.641) 0.931 26.065 ( -0.392 -1.905 1.164) 2.267 26.078 ( 0.049 -3.124 -2.226) 3.836 26.513 ( -1.186 0.756 0.703) 1.572 26.533 ( -0.575 -0.813 0.143) 1.006 26.585 ( -1.011 -0.476 -1.615) 1.964 26.592 ( -0.780 -1.372 0.060) 1.579 26.886 ( -1.824 3.757 0.288) 4.186 26.927 ( -0.375 1.166 0.451) 1.306 26.931 ( -2.580 1.741 1.297) 3.372 26.948 ( -2.414 0.717 -0.502) 2.568 27.140 ( -0.013 5.855 -0.921) 5.927 27.168 ( 0.770 3.325 2.017) 3.964 27.206 ( 0.930 -1.198 -0.955) 1.792 27.229 ( 1.366 -1.104 1.816) 2.526 27.554 ( 0.639 1.922 2.593) 3.290 27.588 ( 1.812 -0.662 2.134) 2.877 27.954 ( -0.237 1.720 0.239) 1.753 28.015 ( 1.477 -2.981 2.508) 4.166 28.204 ( -5.420 3.374 1.730) 6.615 28.260 ( -2.603 -1.002 -3.719) 4.649 28.468 ( -2.511 0.914 -5.688) 6.285 28.567 ( -5.981 -8.279 -6.328) 12.014 28.773 ( 7.878 4.661 5.022) 10.440 28.903 ( 6.017 -6.896 5.524) 10.690 29.871 ( -8.839 0.949 -2.572) 9.255 29.901 ( -9.969 -1.593 -2.393) 10.375 30.375 ( 4.872 1.948 3.091) 6.089 30.420 ( 5.629 -1.621 1.672) 6.092 30.591 ( 6.060 1.865 -0.553) 6.364 30.654 ( 8.269 -3.609 -2.916) 9.482 ======================= Grid point 114 (59/60) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 2.001 8.112 -4.365) 9.427 1.747 ( 2.157 -2.009 -5.350) 6.108 1.895 ( -4.371 7.915 1.957) 9.251 2.035 ( -2.055 2.140 -3.258) 4.406 2.121 ( 0.828 -3.614 2.248) 4.336 2.198 ( -3.649 -5.365 6.302) 9.045 2.300 ( 3.618 0.923 -3.218) 4.929 2.379 ( 2.139 -5.490 -5.976) 8.392 2.620 ( -0.245 2.849 1.345) 3.160 2.704 ( 1.233 -4.072 2.856) 5.124 2.753 ( 9.508 4.644 -0.055) 10.582 2.845 ( 7.871 -0.309 -1.907) 8.105 2.891 ( 0.896 5.995 0.412) 6.076 2.908 ( -4.108 0.644 -0.467) 4.184 2.955 ( 0.008 -3.567 -2.700) 4.474 3.022 ( 0.793 -2.554 0.302) 2.691 3.138 ( 4.295 3.466 -0.086) 5.520 3.292 ( 4.406 -7.884 -1.616) 9.175 3.403 ( -3.281 1.684 2.535) 4.475 3.462 ( -7.838 -2.482 -1.384) 8.337 3.494 ( -3.998 2.419 2.281) 5.200 3.546 ( -0.117 -0.878 3.105) 3.229 3.732 ( 1.623 4.736 2.325) 5.520 3.772 ( 9.523 9.178 0.751) 13.247 3.817 ( 0.073 1.112 -2.251) 2.512 3.877 ( -0.014 -2.594 1.116) 2.824 4.081 ( -3.570 3.502 2.889) 5.776 4.191 ( -9.939 -3.315 4.625) 11.452 4.253 ( 4.948 -2.575 -1.976) 5.917 4.274 ( 1.879 -1.953 -3.402) 4.350 4.535 ( -8.436 6.587 0.929) 10.744 4.633 ( -5.833 -0.871 -2.616) 6.451 4.737 ( 3.768 6.994 3.622) 8.731 4.873 ( 3.062 -0.728 -2.764) 4.189 4.977 ( -0.216 14.144 -0.299) 14.149 4.987 ( 0.098 4.308 -5.680) 7.129 5.094 ( -0.966 5.956 5.491) 8.158 5.123 ( 0.871 -4.960 -1.521) 5.261 5.276 ( 0.294 -5.429 -1.094) 5.546 5.351 ( -1.017 -11.985 0.386) 12.034 5.442 ( 0.201 1.849 -3.663) 4.108 5.469 ( 0.238 0.079 -0.855) 0.891 5.681 ( -0.738 -0.242 2.448) 2.568 5.708 ( -1.840 -2.487 3.740) 4.853 5.814 ( -2.534 1.877 1.648) 3.558 5.875 ( 1.053 -4.163 0.422) 4.315 6.005 ( -8.014 2.398 2.338) 8.685 6.059 ( 1.515 -2.369 2.435) 3.720 6.086 ( 2.791 1.436 -3.229) 4.503 6.122 ( -5.414 -4.127 -0.210) 6.810 6.352 ( -0.066 0.660 -5.873) 5.911 6.368 ( 0.104 2.304 4.005) 4.622 6.415 ( -3.625 -4.965 -3.769) 7.211 6.432 ( -1.644 -6.193 5.594) 8.506 7.034 ( -0.748 2.084 -3.480) 4.125 7.054 ( -0.127 1.223 3.162) 3.393 7.161 ( 5.386 4.202 -2.032) 7.127 7.268 ( 2.962 -3.162 -0.468) 4.357 7.385 ( 3.725 1.965 1.172) 4.371 7.474 ( 0.249 -4.383 -6.520) 7.860 7.957 ( 5.935 -0.360 1.679) 6.178 7.981 ( 4.895 -2.369 3.012) 6.216 8.299 ( 3.908 2.206 4.749) 6.534 8.348 ( 3.397 -2.222 5.943) 7.197 8.462 ( -1.136 2.880 -4.000) 5.058 8.491 ( -3.276 -0.324 -4.716) 5.752 8.788 ( 1.006 1.319 -1.478) 2.222 8.797 ( 0.607 0.530 -0.901) 1.209 9.383 ( 0.698 3.829 -0.214) 3.898 9.458 ( -1.787 -2.271 1.952) 3.487 9.572 ( 2.219 1.189 0.566) 2.581 9.608 ( 0.917 -1.643 -0.475) 1.941 9.629 ( -1.674 2.588 1.071) 3.263 9.693 ( -3.297 -2.205 1.440) 4.220 9.885 ( 0.865 0.231 -2.249) 2.421 9.918 ( -0.087 -2.643 -1.963) 3.294 10.864 ( 1.720 1.885 -0.366) 2.578 10.905 ( 0.639 -1.915 0.726) 2.146 11.135 ( -2.278 0.784 -0.324) 2.431 11.179 ( -3.393 -3.188 -0.991) 4.760 11.561 ( 1.229 -1.057 1.158) 1.992 11.564 ( 0.649 -1.369 1.485) 2.122 11.584 ( 0.410 -0.429 -0.643) 0.875 11.606 ( 0.219 -2.226 0.742) 2.357 12.429 ( 0.759 0.839 -0.618) 1.289 12.449 ( 0.081 -0.955 -0.056) 0.960 12.682 ( 0.034 1.080 -0.174) 1.094 12.698 ( -0.339 -0.356 -0.605) 0.780 13.067 ( -1.936 0.924 -0.471) 2.196 13.083 ( -2.497 -0.523 0.500) 2.600 13.328 ( 1.849 0.629 -0.340) 1.982 13.362 ( 0.638 -2.523 -0.005) 2.602 14.230 ( -0.927 1.298 0.283) 1.620 14.247 ( -1.545 -0.021 -0.305) 1.575 14.412 ( 0.470 0.510 2.038) 2.152 14.437 ( -0.408 -1.560 -0.219) 1.627 14.836 ( 0.521 2.917 2.210) 3.697 14.876 ( -0.894 0.350 -2.881) 3.037 14.917 ( 0.716 -1.399 -0.848) 1.786 14.934 ( -0.238 -2.590 0.732) 2.702 15.843 ( 0.431 2.472 -0.813) 2.638 15.863 ( -0.141 0.865 0.570) 1.046 16.034 ( 1.698 -0.031 1.995) 2.620 16.051 ( 1.173 -1.569 -2.523) 3.194 16.568 ( 1.475 -0.046 -0.018) 1.476 16.578 ( 1.225 -0.921 -0.699) 1.685 16.996 ( 1.884 2.175 -0.029) 2.878 17.014 ( 1.186 0.668 0.249) 1.384 17.310 ( 0.715 -1.146 -0.307) 1.385 17.333 ( -0.172 -3.135 -0.613) 3.199 17.483 ( 0.053 0.570 1.161) 1.295 17.506 ( -0.924 -1.480 0.578) 1.838 18.024 ( 0.648 5.349 -1.408) 5.569 18.085 ( -1.433 1.300 0.546) 2.010 18.251 ( 2.150 1.502 -2.739) 3.793 18.311 ( 0.209 -2.608 3.457) 4.335 18.656 ( 3.127 8.794 -1.326) 9.427 18.848 ( 6.747 -7.652 1.069) 10.258 18.896 ( -6.020 5.680 0.154) 8.278 18.999 ( 0.067 -3.257 -1.247) 3.488 19.305 ( 1.751 7.438 0.535) 7.660 19.472 ( 2.995 -5.691 -0.875) 6.490 19.579 ( -8.430 4.233 -1.620) 9.571 19.726 ( -6.399 -7.466 1.298) 9.918 25.785 ( -0.007 1.243 -0.454) 1.323 25.792 ( -0.266 0.573 0.755) 0.984 26.061 ( -0.024 -2.116 1.163) 2.415 26.074 ( -0.376 -3.365 -2.163) 4.018 26.496 ( -0.387 0.580 0.752) 1.025 26.516 ( -1.013 -1.077 0.257) 1.500 26.567 ( -0.630 -0.014 -1.219) 1.372 26.575 ( -0.830 -0.935 -0.212) 1.268 26.850 ( -1.468 3.567 -1.581) 4.169 26.879 ( -2.628 3.404 2.528) 4.988 26.892 ( -1.244 -0.618 -2.294) 2.682 26.918 ( -1.349 -0.048 3.035) 3.321 27.144 ( 0.372 5.632 -0.960) 5.725 27.167 ( -0.634 3.609 1.550) 3.979 27.243 ( 2.162 -0.910 -1.050) 2.571 27.259 ( 1.325 -1.217 1.948) 2.652 27.586 ( 2.214 2.783 3.432) 4.943 27.624 ( 1.322 0.319 1.125) 1.764 27.941 ( -1.059 2.676 1.801) 3.395 28.005 ( -2.265 -1.518 -0.062) 2.727 28.119 ( -2.601 0.627 2.686) 3.791 28.168 ( -4.943 -3.329 -5.516) 8.121 28.465 ( 1.890 -0.498 -2.085) 2.858 28.519 ( -0.257 -5.018 -4.031) 6.442 28.911 ( 5.749 3.648 4.553) 8.190 28.991 ( 2.588 -3.398 2.025) 4.727 29.682 ( -8.356 -0.475 -2.448) 8.720 29.701 ( -8.512 -2.088 -2.235) 9.045 30.501 ( 6.283 3.192 3.112) 7.704 30.549 ( 5.234 0.269 1.295) 5.398 30.705 ( 5.126 0.103 1.056) 5.235 30.774 ( 3.411 -5.066 -4.571) 7.628 ======================= Grid point 115 (60/60) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.645 5.536 -4.199) 7.846 1.730 ( -3.645 5.536 4.199) 7.846 1.860 ( 8.445 -3.259 -4.680) 10.190 1.860 ( -8.445 -3.259 4.680) 10.190 2.163 ( -2.008 -1.285 -1.667) 2.909 2.163 ( 2.008 -1.285 1.667) 2.909 2.392 ( -2.446 -0.471 -1.556) 2.937 2.392 ( 2.446 -0.471 1.556) 2.937 2.673 ( -0.858 1.649 -2.071) 2.783 2.673 ( 0.858 1.649 2.071) 2.783 2.841 ( 0.607 3.233 -3.547) 4.838 2.841 ( -0.607 3.233 3.547) 4.838 2.905 ( -2.854 2.800 -2.033) 4.486 2.905 ( 2.854 2.800 2.033) 4.486 3.030 ( 4.401 -3.951 -5.378) 7.994 3.030 ( -4.401 -3.951 5.378) 7.994 3.240 ( -2.790 3.437 -6.232) 7.644 3.240 ( 2.790 3.437 6.232) 7.644 3.355 ( -1.963 -4.036 -4.704) 6.502 3.355 ( 1.963 -4.036 4.704) 6.502 3.531 ( -1.863 -0.946 -0.458) 2.140 3.531 ( 1.863 -0.946 0.458) 2.140 3.741 ( -1.962 -2.911 -1.173) 3.701 3.741 ( 1.962 -2.911 1.173) 3.701 3.972 ( -2.503 6.268 -1.070) 6.834 3.972 ( 2.503 6.268 1.070) 6.834 4.022 ( -4.722 1.966 1.390) 5.300 4.022 ( 4.722 1.966 -1.390) 5.300 4.348 ( 2.722 1.835 -4.573) 5.629 4.348 ( -2.722 1.835 4.573) 5.629 4.432 ( -3.246 -2.728 -3.506) 5.501 4.432 ( 3.246 -2.728 3.506) 5.501 4.849 ( -2.918 4.390 -3.995) 6.614 4.849 ( 2.918 4.390 3.995) 6.614 4.984 ( 2.460 12.402 -3.581) 13.141 4.984 ( -2.460 12.402 3.581) 13.141 5.103 ( 0.194 -1.790 -4.098) 4.476 5.103 ( -0.194 -1.790 4.098) 4.476 5.319 ( -0.167 -9.260 -1.727) 9.421 5.319 ( 0.167 -9.260 1.727) 9.421 5.454 ( 0.808 0.801 -2.221) 2.496 5.454 ( -0.808 0.801 2.221) 2.496 5.675 ( 0.809 -0.997 -3.085) 3.342 5.675 ( -0.809 -0.997 3.085) 3.342 5.852 ( -5.419 3.008 -1.353) 6.344 5.852 ( 5.419 3.008 1.353) 6.344 5.956 ( -2.108 -7.709 -4.329) 9.089 5.956 ( 2.108 -7.709 4.329) 9.089 6.138 ( 0.223 1.172 -1.741) 2.111 6.138 ( -0.223 1.172 1.741) 2.111 6.323 ( -0.097 -2.063 -4.211) 4.690 6.323 ( 0.097 -2.063 4.211) 4.690 6.417 ( 1.086 -1.916 -3.764) 4.360 6.417 ( -1.086 -1.916 3.764) 4.360 7.031 ( 0.573 0.194 -2.452) 2.525 7.031 ( -0.573 0.194 2.452) 2.525 7.257 ( -2.054 3.344 -4.507) 5.976 7.257 ( 2.054 3.344 4.507) 5.976 7.463 ( -2.252 -2.645 -4.945) 6.043 7.463 ( 2.252 -2.645 4.945) 6.043 8.021 ( 0.649 -2.073 -0.847) 2.331 8.021 ( -0.649 -2.073 0.847) 2.331 8.377 ( -2.385 1.593 -2.343) 3.704 8.377 ( 2.385 1.593 2.343) 3.704 8.447 ( -0.573 0.151 -3.106) 3.162 8.447 ( 0.573 0.151 3.106) 3.162 8.796 ( -0.236 1.013 -2.521) 2.727 8.796 ( 0.236 1.013 2.521) 2.727 9.406 ( 1.973 1.743 -1.796) 3.186 9.406 ( -1.973 1.743 1.796) 3.186 9.614 ( 0.030 0.556 -2.400) 2.463 9.614 ( -0.030 0.556 2.400) 2.463 9.636 ( 1.530 -0.840 -3.658) 4.053 9.636 ( -1.530 -0.840 3.658) 4.053 9.904 ( -0.737 -1.664 -0.634) 1.927 9.904 ( 0.737 -1.664 0.634) 1.927 10.898 ( 0.904 0.184 -0.500) 1.049 10.898 ( -0.904 0.184 0.500) 1.049 11.125 ( -1.371 -1.488 -0.596) 2.109 11.125 ( 1.371 -1.488 0.596) 2.109 11.573 ( -0.204 -0.735 -2.815) 2.917 11.573 ( 0.204 -0.735 2.815) 2.917 11.598 ( -0.292 -2.012 -0.769) 2.174 11.598 ( 0.292 -2.012 0.769) 2.174 12.444 ( 0.216 0.081 -0.304) 0.382 12.444 ( -0.216 0.081 0.304) 0.382 12.688 ( -0.377 0.361 -0.423) 0.672 12.688 ( 0.377 0.361 0.423) 0.672 13.051 ( 0.395 0.153 -0.691) 0.810 13.051 ( -0.395 0.153 0.691) 0.810 13.359 ( -0.710 -1.089 0.038) 1.301 13.359 ( 0.710 -1.089 -0.038) 1.300 14.225 ( -0.442 0.458 -0.399) 0.752 14.225 ( 0.442 0.458 0.399) 0.752 14.424 ( -0.657 -0.473 -1.300) 1.531 14.424 ( 0.657 -0.473 1.300) 1.531 14.852 ( -1.093 2.144 -3.035) 3.874 14.852 ( 1.093 2.144 3.035) 3.874 14.929 ( 0.162 -2.151 -1.951) 2.908 14.929 ( -0.162 -2.151 1.951) 2.908 15.855 ( 0.137 1.819 -2.466) 3.068 15.855 ( -0.137 1.819 2.466) 3.068 16.057 ( -0.309 -0.887 -3.799) 3.914 16.057 ( 0.309 -0.887 3.799) 3.914 16.588 ( -0.290 -0.441 -0.164) 0.552 16.588 ( 0.290 -0.441 0.164) 0.552 17.021 ( -0.264 1.611 -0.085) 1.635 17.021 ( 0.264 1.611 0.085) 1.635 17.325 ( -0.089 -2.260 -0.754) 2.384 17.325 ( 0.089 -2.260 0.754) 2.384 17.492 ( -0.450 -0.549 -0.281) 0.763 17.492 ( 0.450 -0.549 0.281) 0.763 18.051 ( 0.785 3.711 -2.076) 4.324 18.051 ( -0.785 3.711 2.076) 4.324 18.293 ( 1.699 -0.956 -3.648) 4.136 18.293 ( -1.699 -0.956 3.648) 4.136 18.757 ( -1.772 10.007 -3.825) 10.858 18.757 ( 1.772 10.007 3.825) 10.858 18.962 ( -1.969 -8.285 -4.736) 9.744 18.962 ( 1.969 -8.285 4.736) 9.744 19.396 ( -5.139 3.987 -2.310) 6.903 19.396 ( 5.139 3.987 2.310) 6.903 19.593 ( -4.533 -4.996 0.762) 6.789 19.593 ( 4.533 -4.996 -0.762) 6.789 25.787 ( 0.180 0.855 -0.859) 1.225 25.787 ( -0.180 0.855 0.859) 1.225 26.065 ( -0.363 -2.848 -1.677) 3.325 26.065 ( 0.363 -2.848 1.677) 3.325 26.499 ( -0.515 -0.233 -0.429) 0.710 26.499 ( 0.515 -0.233 0.429) 0.710 26.563 ( 0.152 -0.364 -0.661) 0.770 26.563 ( -0.152 -0.364 0.661) 0.770 26.842 ( 0.869 3.739 -3.081) 4.922 26.842 ( -0.869 3.739 3.081) 4.922 26.892 ( 1.065 -0.985 -3.630) 3.909 26.892 ( -1.065 -0.985 3.630) 3.909 27.153 ( 0.574 4.786 -1.219) 4.972 27.153 ( -0.574 4.786 1.219) 4.972 27.271 ( 0.389 -0.964 -1.606) 1.913 27.271 ( -0.389 -0.964 1.606) 1.913 27.626 ( -1.040 2.549 -2.339) 3.612 27.626 ( 1.040 2.549 2.339) 3.612 27.948 ( -2.216 -1.059 -2.585) 3.566 27.948 ( 2.216 -1.059 2.585) 3.566 28.107 ( -0.761 -0.747 -5.064) 5.175 28.107 ( 0.761 -0.747 5.064) 5.175 28.506 ( -1.131 -2.365 -2.041) 3.323 28.506 ( 1.131 -2.365 2.041) 3.323 28.996 ( -2.177 0.983 -2.056) 3.152 28.996 ( 2.177 0.983 2.056) 3.152 29.600 ( 0.161 -2.399 -0.802) 2.535 29.600 ( -0.161 -2.399 0.802) 2.535 30.586 ( -0.476 3.299 -5.975) 6.842 30.586 ( 0.476 3.299 5.975) 6.842 30.783 ( -1.731 -3.880 -5.338) 6.823 30.783 ( 1.731 -3.880 5.338) 6.823 =================== 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 3/28080 10.0 486.359 484.630 382.441 0.000 11.868 0.000 3/28080 20.0 76.928 100.768 59.946 0.000 -0.977 0.000 3/28080 30.0 30.633 39.724 23.747 0.000 -1.061 0.000 3/28080 40.0 17.405 21.975 13.718 0.000 -0.798 0.000 3/28080 50.0 11.824 14.621 9.489 0.000 -0.628 0.000 3/28080 60.0 8.892 10.843 7.254 0.000 -0.516 0.000 3/28080 70.0 7.122 8.604 5.892 0.000 -0.438 0.000 3/28080 80.0 5.945 7.139 4.978 0.000 -0.380 0.000 3/28080 90.0 5.107 6.109 4.319 0.000 -0.336 0.000 3/28080 100.0 4.480 5.346 3.821 0.000 -0.300 0.000 3/28080 110.0 3.993 4.756 3.429 0.000 -0.271 0.000 3/28080 120.0 3.603 4.287 3.112 0.000 -0.247 0.000 3/28080 130.0 3.284 3.905 2.850 0.000 -0.226 0.000 3/28080 140.0 3.018 3.587 2.629 0.000 -0.209 0.000 3/28080 150.0 2.792 3.318 2.441 0.000 -0.194 0.000 3/28080 160.0 2.599 3.087 2.278 0.000 -0.181 0.000 3/28080 170.0 2.431 2.888 2.137 0.000 -0.169 0.000 3/28080 180.0 2.284 2.714 2.012 0.000 -0.159 0.000 3/28080 190.0 2.154 2.560 1.902 0.000 -0.150 0.000 3/28080 200.0 2.039 2.423 1.803 0.000 -0.142 0.000 3/28080 210.0 1.935 2.301 1.714 0.000 -0.135 0.000 3/28080 220.0 1.842 2.190 1.635 0.000 -0.128 0.000 3/28080 230.0 1.758 2.091 1.562 0.000 -0.122 0.000 3/28080 240.0 1.682 2.000 1.496 0.000 -0.117 0.000 3/28080 250.0 1.612 1.917 1.436 0.000 -0.112 0.000 3/28080 260.0 1.548 1.841 1.380 0.000 -0.107 0.000 3/28080 270.0 1.489 1.771 1.329 0.000 -0.103 0.000 3/28080 280.0 1.435 1.707 1.282 0.000 -0.099 0.000 3/28080 290.0 1.384 1.647 1.238 0.000 -0.095 0.000 3/28080 300.0 1.337 1.591 1.197 0.000 -0.091 0.000 3/28080 310.0 1.294 1.539 1.159 0.000 -0.088 0.000 3/28080 320.0 1.253 1.491 1.124 0.000 -0.085 0.000 3/28080 330.0 1.215 1.445 1.090 0.000 -0.082 0.000 3/28080 340.0 1.179 1.403 1.059 0.000 -0.080 0.000 3/28080 350.0 1.145 1.363 1.030 0.000 -0.077 0.000 3/28080 360.0 1.113 1.325 1.002 0.000 -0.075 0.000 3/28080 370.0 1.083 1.289 0.976 0.000 -0.073 0.000 3/28080 380.0 1.055 1.255 0.951 0.000 -0.071 0.000 3/28080 390.0 1.028 1.223 0.927 0.000 -0.069 0.000 3/28080 400.0 1.003 1.193 0.905 0.000 -0.067 0.000 3/28080 410.0 0.978 1.164 0.883 0.000 -0.065 0.000 3/28080 420.0 0.955 1.137 0.863 0.000 -0.063 0.000 3/28080 430.0 0.933 1.110 0.844 0.000 -0.062 0.000 3/28080 440.0 0.912 1.085 0.825 0.000 -0.060 0.000 3/28080 450.0 0.892 1.062 0.808 0.000 -0.059 0.000 3/28080 460.0 0.873 1.039 0.791 0.000 -0.057 0.000 3/28080 470.0 0.855 1.017 0.774 0.000 -0.056 0.000 3/28080 480.0 0.837 0.996 0.759 0.000 -0.055 0.000 3/28080 490.0 0.821 0.976 0.744 0.000 -0.054 0.000 3/28080 500.0 0.804 0.957 0.730 0.000 -0.053 0.000 3/28080 510.0 0.789 0.938 0.716 0.000 -0.051 0.000 3/28080 520.0 0.774 0.920 0.703 0.000 -0.050 0.000 3/28080 530.0 0.760 0.903 0.690 0.000 -0.049 0.000 3/28080 540.0 0.746 0.887 0.678 0.000 -0.048 0.000 3/28080 550.0 0.733 0.871 0.666 0.000 -0.047 0.000 3/28080 560.0 0.720 0.855 0.654 0.000 -0.047 0.000 3/28080 570.0 0.707 0.841 0.643 0.000 -0.046 0.000 3/28080 580.0 0.695 0.826 0.633 0.000 -0.045 0.000 3/28080 590.0 0.684 0.812 0.622 0.000 -0.044 0.000 3/28080 600.0 0.673 0.799 0.612 0.000 -0.043 0.000 3/28080 610.0 0.662 0.786 0.603 0.000 -0.042 0.000 3/28080 620.0 0.651 0.774 0.593 0.000 -0.042 0.000 3/28080 630.0 0.641 0.762 0.584 0.000 -0.041 0.000 3/28080 640.0 0.631 0.750 0.575 0.000 -0.040 0.000 3/28080 650.0 0.622 0.738 0.567 0.000 -0.040 0.000 3/28080 660.0 0.612 0.727 0.558 0.000 -0.039 0.000 3/28080 670.0 0.603 0.717 0.550 0.000 -0.038 0.000 3/28080 680.0 0.595 0.706 0.542 0.000 -0.038 0.000 3/28080 690.0 0.586 0.696 0.535 0.000 -0.037 0.000 3/28080 700.0 0.578 0.686 0.527 0.000 -0.037 0.000 3/28080 710.0 0.570 0.677 0.520 0.000 -0.036 0.000 3/28080 720.0 0.562 0.668 0.513 0.000 -0.036 0.000 3/28080 730.0 0.555 0.659 0.506 0.000 -0.035 0.000 3/28080 740.0 0.547 0.650 0.500 0.000 -0.035 0.000 3/28080 750.0 0.540 0.641 0.493 0.000 -0.034 0.000 3/28080 760.0 0.533 0.633 0.487 0.000 -0.034 0.000 3/28080 770.0 0.526 0.625 0.481 0.000 -0.033 0.000 3/28080 780.0 0.520 0.617 0.475 0.000 -0.033 0.000 3/28080 790.0 0.513 0.609 0.469 0.000 -0.032 0.000 3/28080 800.0 0.507 0.602 0.463 0.000 -0.032 0.000 3/28080 810.0 0.501 0.594 0.458 0.000 -0.032 0.000 3/28080 820.0 0.495 0.587 0.452 0.000 -0.031 0.000 3/28080 830.0 0.489 0.580 0.447 0.000 -0.031 0.000 3/28080 840.0 0.483 0.573 0.442 0.000 -0.030 0.000 3/28080 850.0 0.477 0.567 0.437 0.000 -0.030 0.000 3/28080 860.0 0.472 0.560 0.432 0.000 -0.030 0.000 3/28080 870.0 0.467 0.554 0.427 0.000 -0.029 0.000 3/28080 880.0 0.461 0.548 0.422 0.000 -0.029 0.000 3/28080 890.0 0.456 0.541 0.418 0.000 -0.029 0.000 3/28080 900.0 0.451 0.535 0.413 0.000 -0.028 0.000 3/28080 910.0 0.446 0.530 0.409 0.000 -0.028 0.000 3/28080 920.0 0.442 0.524 0.404 0.000 -0.028 0.000 3/28080 930.0 0.437 0.518 0.400 0.000 -0.027 0.000 3/28080 940.0 0.432 0.513 0.396 0.000 -0.027 0.000 3/28080 950.0 0.428 0.508 0.392 0.000 -0.027 0.000 3/28080 960.0 0.423 0.502 0.388 0.000 -0.026 0.000 3/28080 970.0 0.419 0.497 0.384 0.000 -0.026 0.000 3/28080 980.0 0.415 0.492 0.380 0.000 -0.026 0.000 3/28080 990.0 0.411 0.487 0.376 0.000 -0.026 0.000 3/28080 1000.0 0.407 0.482 0.373 0.000 -0.025 0.000 3/28080 Thermal conductivity related properties were written into "kappa-m656.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:54:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|